| 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 | 65.9 | Low | 86.3 | Confident | 155 Ų | 155 | 63.1 Ų | 63.1 | 76% | 0.764 | 34% | 0.341 | S | S | * | . | 0 | 118.5 | 0 | -69.8 | 177.2 | 113.3 | 0 | 0 | 107.1 | F173 | M1-F173 HydrophobicContact CB-CD2 3.96Å; M1-F173 HydrophobicContact CB-CE1 4.41Å; M1-F173 HydrophobicContact CB-CE2 3.78Å; M1-F173 HydrophobicContact CB-CG 4.38Å; M1-F173 HydrophobicContact CB-CZ 4.04Å; M1-F173 HydrophobicContact CE-CE1 4.09Å; M1-F173 HydrophobicContact CE-CE2 3.9Å; M1-F173 HydrophobicContact CE-CZ 3.27Å; M1-F173 HydrophobicContact CG-CE2 4.3Å; M1-F173 HydrophobicContact CG-CZ 4.22Å; M1-F173 HydrophobicContact SD-CE1 3.73Å; M1-F173 HydrophobicContact SD-CE2 4.1Å; M1-F173 HydrophobicContact SD-CZ 3.44Å; M1-F173 WeakPolarHBondContact SD-CZ 3.39Å | |||
| 2 | Y | 78.6 | Confident | 85.5 | Confident | 47 Ų | 47 | 71.2 Ų | 71.2 | 18% | 0.184 | 37% | 0.37 | C | S | . | . | trans | -139.6 | 164.5 | 176.7 | 68.8 | -83.5 | 0 | 0 | 0 | 108.9 | L4 Q169 P397 E398 D401 | Y2-L4 HydrophobicContact CE2-CB 4.22Å; Y2-Q169 VanDerWaalsContact CB-NE2 3.32Å; Y2-P397 PolarHBondContact OH-O 3.06Å; Y2-E398 WeakPolarHBondContact OH-CA 3.3Å; Y2-D401 PolarHBondContact OH-OD2 3.18Å | ||
| 3 | I | 87.2 | Confident | 84.8 | Confident | 62 Ų | 62 | 71.6 Ų | 71.6 | 32% | 0.318 | 37% | 0.365 | S | S | . | . | trans | -116.2 | 121.2 | 170.6 | -61.5 | 178.5 | 0 | 0 | 0 | 106.4 | E5 I172 F173 N199 | I3-E5 PolarHBondContact O-N 3.06Å; I3-I172 HydrophobicContact CB-CG2 4.13Å; I3-I172 HydrophobicContact CD1-CG2 4.11Å; I3-I172 HydrophobicContact CG1-CG2 4.49Å; I3-F173 HydrophobicContact CG1-CD2 4.41Å; I3-N199 PolarHBondContact O-ND2 3.47Å; I3-N199 PolarHBondContact O-OD1 3.44Å | ||
| 4 | L | 93.2 | Very high | 84 | Confident | 48 Ų | 48 | 74.2 Ų | 74.2 | 25% | 0.251 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 125.6 | 172.2 | -169.7 | 65.4 | 0 | 0 | 0 | 109.1 | Y2 N200 P397 E398 | Y2-L4 HydrophobicContact CE2-CB 4.22Å; L4-N200 HydrophobicContact CD1-CB 4.06Å; L4-P397 HydrophobicContact CD1-CB 3.84Å; L4-P397 HydrophobicContact CD1-CG 3.9Å; L4-P397 HydrophobicContact CD2-CG 4.3Å; L4-E398 VanDerWaalsContact CD2-CD 3.44Å; L4-E398 HydrophobicContact CD2-CG 3.65Å |
| 5 | E | 95.5 | Very high | 83.4 | Confident | 5 Ų | 5 | 72.9 Ų | 72.9 | 2% | 0.023 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 136 | -179.2 | -66.8 | -60.6 | 139 | 0 | 0 | 111.4 | I3 L7 T79 N81 Y195 L196 N200 | I3-E5 PolarHBondContact O-N 3.06Å; E5-L7 HydrophobicContact CB-CD2 4.42Å; E5-L7 PolarHBondContact O-N 3.1Å; E5-T79 HydrophobicContact CB-CG2 4Å; E5-T79 HydrophobicContact CG-CG2 4.11Å; E5-T79 WeakPolarHBondContact OE2-CB 3.34Å; E5-T79 PolarHBondContact OE2-OG1 3.13Å; E5-N81 PolarHBondContact OE1-ND2 3.44Å; E5-N81 PolarHBondContact OE2-ND2 3.38Å; E5-Y195 HydrophobicContact CG-CE1 3.65Å; E5-L196 HydrophobicContact CB-CD2 4.17Å; E5-L196 HydrophobicContact CG-CD2 4.2Å; E5-N200 PolarHBondContact O-ND2 3.24Å |
| 6 | I | 94.6 | Very high | 82.8 | Confident | 94 Ų | 94 | 78.5 Ų | 78.5 | 48% | 0.482 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -83 | 118.3 | 173.2 | -57.9 | 174.8 | 0 | 0 | 0 | 109.1 | N8 | I6-N8 WeakPolarHBondContact CG2-OD1 3.49Å; I6-N8 PolarHBondContact O-N 2.6Å |
| 7 | L | 93.9 | Very high | 82 | Confident | 32 Ų | 32 | 75.9 Ų | 75.9 | 17% | 0.168 | 38% | 0.378 | C | S | . | . | trans | -91.8 | 90.9 | -179.4 | -53.1 | -176.3 | 0 | 0 | 0 | 111.3 | E5 W9 T79 L196 I202 Y210 | E5-L7 HydrophobicContact CB-CD2 4.42Å; E5-L7 PolarHBondContact O-N 3.1Å; L7-W9 PolarHBondContact O-N 3Å; L7-T79 HydrophobicContact CD2-CG2 4.42Å; L7-L196 HydrophobicContact CD2-CD1 4.25Å; L7-L196 HydrophobicContact CD2-CD2 3.93Å; L7-I202 HydrophobicContact CD1-CD1 3.85Å; L7-I202 HydrophobicContact CD1-CG2 4.22Å; L7-Y210 WeakPolarHBondContact CA-OH 3.38Å; L7-Y210 HydrophobicContact CB-CD2 4.31Å; L7-Y210 HydrophobicContact CB-CE1 4.45Å; L7-Y210 HydrophobicContact CB-CE2 3.89Å; L7-Y210 HydrophobicContact CD2-CD1 3.95Å; L7-Y210 HydrophobicContact CD2-CE1 3.64Å | ||
| 8 | N | 91.7 | Very high | 81.1 | Confident | 80 Ų | 80 | 80.9 Ų | 80.9 | 43% | 0.428 | 40% | 0.397 | S | S | . | . | trans | -75.2 | 90.7 | 177.5 | -66.7 | -27.1 | 0 | 0 | 0 | 111.7 | I6 Y210 | I6-N8 WeakPolarHBondContact CG2-OD1 3.49Å; I6-N8 PolarHBondContact O-N 2.6Å; N8-Y210 PolarHBondContact N-OH 2.7Å | ||
| 9 | W | 86.8 | Confident | 80 | Confident | 36 Ų | 36 | 87.3 Ų | 87.3 | 14% | 0.136 | 42% | 0.418 | C | S | . | . | trans | -81.5 | 147.9 | 170.9 | -70.6 | 98.9 | 0 | 0 | 0 | 111.8 | L7 Y13 R14 L17 E206 Q209 Y210 F213 | L7-W9 PolarHBondContact O-N 3Å; W9-Y13 AromaticContact CE3-CD1 3.83Å; W9-Y13 HydrophobicContact CE3-CD1 3.83Å; W9-Y13 HydrophobicContact CE3-CE1 4.35Å; W9-Y13 AromaticContact CZ3-CD1 3.59Å; W9-Y13 HydrophobicContact CZ3-CD1 3.59Å; W9-Y13 AromaticContact CZ3-CE1 3.65Å; W9-Y13 HydrophobicContact CZ3-CE1 3.65Å; W9-R14 HydrophobicContact CB-CB 4.17Å; W9-R14 HydrophobicContact CD2-CB 4.45Å; W9-R14 HydrophobicContact CD2-CG 4.36Å; W9-R14 HydrophobicContact CG-CB 4.33Å; W9-R14 HydrophobicContact CG-CG 4.27Å; W9-L17 HydrophobicContact CH2-CD1 3.93Å; W9-L17 HydrophobicContact CZ3-CD1 3.85Å; W9-E206 HydrophobicContact CZ2-CG 3.92Å; W9-Q209 HydrophobicContact CH2-CB 3.96Å; W9-Y210 AromaticContact CD2-CD2 3.68Å; W9-Y210 HydrophobicContact CD2-CD2 3.68Å; W9-Y210 HydrophobicContact CD2-CE2 4.2Å; W9-Y210 AromaticContact CE2-CD2 3.48Å; W9-Y210 VanDerWaalsContact CE2-CD2 3.48Å; W9-Y210 AromaticContact CE3-CD2 3.93Å; W9-Y210 HydrophobicContact CE3-CD2 3.93Å; W9-Y210 HydrophobicContact CG-CD2 4.28Å; W9-Y210 HydrophobicContact CG-CE2 4.37Å; W9-Y210 AromaticContact CH2-CD2 3.95Å; W9-Y210 HydrophobicContact CH2-CD2 3.95Å; W9-Y210 HydrophobicContact CH2-CG 4.3Å; W9-Y210 VanDerWaalsContact CH2-N 3.29Å; W9-Y210 AromaticContact CZ2-CD2 3.65Å; W9-Y210 HydrophobicContact CZ2-CD2 3.65Å; W9-Y210 HydrophobicContact CZ2-CG 4.07Å; W9-Y210 HydrophobicContact CZ3-CD2 4.03Å; W9-Y210 AromaticContact NE1-CD2 3.87Å; W9-F213 HydrophobicContact CE3-CB 4.41Å; W9-F213 AromaticContact CE3-CD1 3.88Å; W9-F213 HydrophobicContact CE3-CD1 3.88Å; W9-F213 HydrophobicContact CE3-CE1 4.46Å; W9-F213 HydrophobicContact CE3-CG 4.13Å; W9-F213 HydrophobicContact CZ3-CB 3.94Å; W9-F213 HydrophobicContact CZ3-CD1 4.23Å; W9-F213 HydrophobicContact CZ3-CG 4.15Å | ||
| 10 | D | 83 | Confident | 79.1 | Confident | 80 Ų | 80 | 85.5 Ų | 85.5 | 43% | 0.428 | 42% | 0.418 | S | S | . | . | trans | -72.2 | 126.3 | 154.5 | 171 | 19.3 | 0 | 0 | 0 | 108.5 | K12 Y13 R14 F213 | D10-K12 PolarHBondContact O-N 3.15Å; D10-K12 PolarHBondContact OD1-N 3.34Å; D10-K12 VanDerWaalsContact OD1-N 3.11Å; D10-Y13 PolarHBondContact O-N 3.29Å; D10-R14 PolarHBondContact O-N 3.43Å; D10-F213 HydrophobicContact CB-CE1 4.49Å; D10-F213 HydrophobicContact CB-CE2 3.71Å; D10-F213 HydrophobicContact CB-CZ 3.43Å; D10-F213 VanDerWaalsContact CB-CZ 3.43Å | ||
| 11 | G | 79.2 | Confident | 77.9 | Confident | 55 Ų | 55 | 89.1 Ų | 89.1 | 57% | 0.567 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -55.4 | -35 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S15 | G11-S15 PolarHBondContact O-N 2.77Å; G11-S15 PolarHBondContact O-OG 3.01Å |
| 12 | K | 76.4 | Confident | 77.8 | Confident | 160 Ų | 160 | 86.6 Ų | 86.6 | 70% | 0.696 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -72.7 | -33.9 | 177.1 | -68.2 | -179.9 | -178.6 | 175.4 | 0 | 112.8 | D10 S15 K16 | D10-K12 PolarHBondContact O-N 3.15Å; D10-K12 PolarHBondContact OD1-N 3.34Å; D10-K12 VanDerWaalsContact OD1-N 3.11Å; K12-S15 PolarHBondContact O-OG 3.35Å; K12-K16 WeakPolarHBondContact O-CG 3.26Å; K12-K16 PolarHBondContact O-N 3.15Å |
| 13 | Y | 76.1 | Confident | 77.3 | Confident | 77 Ų | 77 | 94 Ų | 94 | 30% | 0.302 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -70.5 | -44.8 | 176 | -170.1 | -91.6 | 0 | 0 | 0 | 110.8 | W9 D10 S15 K16 L17 F213 | W9-Y13 AromaticContact CE3-CD1 3.83Å; W9-Y13 HydrophobicContact CE3-CD1 3.83Å; W9-Y13 HydrophobicContact CE3-CE1 4.35Å; W9-Y13 AromaticContact CZ3-CD1 3.59Å; W9-Y13 HydrophobicContact CZ3-CD1 3.59Å; W9-Y13 AromaticContact CZ3-CE1 3.65Å; W9-Y13 HydrophobicContact CZ3-CE1 3.65Å; D10-Y13 PolarHBondContact O-N 3.29Å; Y13-S15 VanDerWaalsContact C-N 3.32Å; Y13-S15 PolarHBondContact O-N 3.44Å; Y13-K16 PolarHBondContact O-N 3.11Å; Y13-L17 HydrophobicContact CD1-CD1 3.68Å; Y13-L17 HydrophobicContact CD1-CG 4.25Å; Y13-L17 HydrophobicContact CE1-CD1 3.37Å; Y13-L17 HydrophobicContact CE1-CD2 4.35Å; Y13-L17 HydrophobicContact CE1-CG 3.97Å; Y13-L17 PolarHBondContact O-N 2.98Å; Y13-F213 HydrophobicContact CD1-CB 3.97Å; Y13-F213 AromaticContact CD1-CD2 3.57Å; Y13-F213 HydrophobicContact CD1-CD2 3.57Å; Y13-F213 HydrophobicContact CD1-CE2 4.32Å; Y13-F213 AromaticContact CD1-CG 3.84Å; Y13-F213 HydrophobicContact CD1-CG 3.84Å; Y13-F213 AromaticContact CD2-CD2 3.68Å; Y13-F213 HydrophobicContact CD2-CD2 3.68Å; Y13-F213 HydrophobicContact CD2-CE2 4.24Å; Y13-F213 HydrophobicContact CE1-CB 3.57Å; Y13-F213 AromaticContact CE1-CD2 3.93Å; Y13-F213 HydrophobicContact CE1-CD2 3.93Å; Y13-F213 AromaticContact CE1-CG 3.97Å; Y13-F213 HydrophobicContact CE1-CG 3.97Å; Y13-F213 HydrophobicContact CE2-CD2 4.04Å; Y13-F213 AromaticContact CG-CD2 3.43Å; Y13-F213 HydrophobicContact CG-CD2 3.43Å; Y13-F213 VanDerWaalsContact CG-CD2 3.43Å; Y13-F213 AromaticContact CG-CE2 3.88Å; Y13-F213 HydrophobicContact CG-CE2 3.88Å; Y13-F213 HydrophobicContact CG-CG 4.18Å |
| 14 | R | 74.4 | Confident | 76.9 | Confident | 108 Ų | 108 | 91.9 Ų | 91.9 | 41% | 0.408 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.9 | -35.6 | -179.1 | -163 | 173.9 | -167.5 | 172.2 | 6.6 | 112.7 | W9 D10 K18 E206 | W9-R14 HydrophobicContact CB-CB 4.17Å; W9-R14 HydrophobicContact CD2-CB 4.45Å; W9-R14 HydrophobicContact CD2-CG 4.36Å; W9-R14 HydrophobicContact CG-CB 4.33Å; W9-R14 HydrophobicContact CG-CG 4.27Å; D10-R14 PolarHBondContact O-N 3.43Å; R14-K18 PolarHBondContact O-N 3.5Å; R14-E206 IonicContact NH2-OE1 2.88Å; R14-E206 PolarHBondContact NH2-OE1 2.95Å |
| 15 | S | 74.6 | Confident | 76.3 | Confident | 55 Ų | 55 | 95.7 Ų | 95.7 | 39% | 0.385 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67.2 | -43.3 | 176.6 | 62.1 | 0 | 0 | 0 | 0 | 112.3 | G11 K12 Y13 L17 K18 Y19 | G11-S15 PolarHBondContact O-N 2.77Å; G11-S15 PolarHBondContact O-OG 3.01Å; K12-S15 PolarHBondContact O-OG 3.35Å; Y13-S15 VanDerWaalsContact C-N 3.32Å; Y13-S15 PolarHBondContact O-N 3.44Å; S15-L17 VanDerWaalsContact C-N 3.29Å; S15-L17 PolarHBondContact O-N 3.28Å; S15-K18 PolarHBondContact O-N 3.47Å; S15-Y19 WeakPolarHBondContact O-CD2 3.46Å |
| 16 | K | 73.7 | Confident | 75.6 | Confident | 162 Ų | 162 | 96.5 Ų | 96.5 | 70% | 0.704 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -58.7 | -38.3 | 177.3 | -73.6 | 179.7 | 179.7 | -178 | 0 | 112.9 | K12 Y13 Y19 A20 | K12-K16 WeakPolarHBondContact O-CG 3.26Å; K12-K16 PolarHBondContact O-N 3.15Å; Y13-K16 PolarHBondContact O-N 3.11Å; K16-Y19 PolarHBondContact O-N 3.23Å; K16-A20 PolarHBondContact O-N 3.28Å |
| 17 | L | 69.9 | Low | 74.7 | Confident | 34 Ų | 34 | 96.3 Ų | 96.3 | 18% | 0.178 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -66.8 | -37.7 | 178.7 | -70.5 | 173.7 | 0 | 0 | 0 | 113.2 | W9 Y13 S15 Y19 A20 Q209 | W9-L17 HydrophobicContact CH2-CD1 3.93Å; W9-L17 HydrophobicContact CZ3-CD1 3.85Å; Y13-L17 HydrophobicContact CD1-CD1 3.68Å; Y13-L17 HydrophobicContact CD1-CG 4.25Å; Y13-L17 HydrophobicContact CE1-CD1 3.37Å; Y13-L17 HydrophobicContact CE1-CD2 4.35Å; Y13-L17 HydrophobicContact CE1-CG 3.97Å; Y13-L17 PolarHBondContact O-N 2.98Å; S15-L17 VanDerWaalsContact C-N 3.29Å; S15-L17 PolarHBondContact O-N 3.28Å; L17-Y19 PolarHBondContact O-N 3.25Å; L17-Y19 VanDerWaalsContact O-N 3.11Å; L17-A20 PolarHBondContact O-N 3.36Å; L17-Q209 HydrophobicContact CD1-CB 3.92Å; L17-Q209 HydrophobicContact CD1-CG 4.26Å; L17-Q209 HydrophobicContact CD2-CG 4.09Å |
| 18 | K | 64.7 | Low | 73.9 | Confident | 167 Ų | 167 | 96.1 Ų | 96.1 | 73% | 0.726 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -59.4 | -24.4 | 178.3 | -74.5 | -175.1 | 176.4 | -174.5 | 0 | 113.4 | R14 S15 | R14-K18 PolarHBondContact O-N 3.5Å; S15-K18 PolarHBondContact O-N 3.47Å |
| 19 | Y | 60.5 | Low | 73 | Confident | 201 Ų | 201 | 95.3 Ų | 95.3 | 79% | 0.788 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -10.1 | 178.5 | -64.5 | -74.4 | 0 | 0 | 0 | 113.6 | S15 K16 L17 N21 | S15-Y19 WeakPolarHBondContact O-CD2 3.46Å; K16-Y19 PolarHBondContact O-N 3.23Å; L17-Y19 PolarHBondContact O-N 3.25Å; L17-Y19 VanDerWaalsContact O-N 3.11Å; Y19-N21 PolarHBondContact O-N 3.16Å |
| 20 | A | 61.2 | Low | 72.2 | Confident | 51 Ų | 51 | 98.2 Ų | 98.2 | 42% | 0.421 | 49% | 0.49 | S | S | . | . | trans | -84.4 | 100.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | K16 L17 D22 | K16-A20 PolarHBondContact O-N 3.28Å; L17-A20 PolarHBondContact O-N 3.36Å; A20-D22 PolarHBondContact O-N 3.3Å | ||
| 21 | N | 54 | Low | 71.6 | Confident | 163 Ų | 163 | 99.8 Ų | 99.8 | 87% | 0.872 | 50% | 0.502 | S | S | * | . | trans | -75.6 | 6.2 | 174.6 | -91.4 | -15.8 | 0 | 0 | 0 | 113.9 | Y19 | Y19-N21 PolarHBondContact O-N 3.16Š| ||
| 22 | D | 64.6 | Low | 71.2 | Confident | 101 Ų | 101 | 98.8 Ų | 98.8 | 54% | 0.54 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -89.4 | 123 | -177.2 | -91.7 | 20 | 0 | 0 | 0 | 110.8 | A20 V24 K25 | A20-D22 PolarHBondContact O-N 3.3Å; D22-V24 PolarHBondContact O-N 2.89Å; D22-K25 IonicContact OD2-NZ 2.63Å; D22-K25 PolarHBondContact OD2-NZ 3.37Å |
| 23 | R | 68.5 | Low | 70.9 | Confident | 204 Ų | 204 | 91.9 Ų | 91.9 | 77% | 0.77 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -50.2 | 140.1 | 167.4 | -73 | -172.4 | -178.2 | -179 | 3.2 | 110.3 | K25 | R23-K25 PolarHBondContact O-N 3.24Å; R23-K25 VanDerWaalsContact O-N 3.16Å |
| 24 | V | 79.3 | Confident | 70.5 | Confident | 16 Ų | 16 | 94.8 Ų | 94.8 | 10% | 0.097 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -57 | 119.5 | 178.9 | -177.3 | 0 | 0 | 0 | 0 | 111.4 | D22 E205 I208 Q209 | D22-V24 PolarHBondContact O-N 2.89Å; V24-E205 HydrophobicContact CG2-CG 3.85Å; V24-I208 HydrophobicContact CG1-CB 4.44Å; V24-I208 HydrophobicContact CG1-CG2 3.63Å; V24-Q209 HydrophobicContact CG2-CG 3.78Å |
| 25 | K | 80.1 | Confident | 70.1 | Confident | 129 Ų | 129 | 95.3 Ų | 95.3 | 56% | 0.561 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -92.2 | 162 | 178.3 | -61.5 | 173.5 | -173.5 | 157.8 | 0 | 111.3 | D22 R23 R212 | D22-K25 IonicContact OD2-NZ 2.63Å; D22-K25 PolarHBondContact OD2-NZ 3.37Å; R23-K25 PolarHBondContact O-N 3.24Å; R23-K25 VanDerWaalsContact O-N 3.16Å; K25-R212 PolarHBondContact O-NH1 2.88Å; K25-R212 PolarHBondContact O-NH2 3.29Å |
| 26 | S | 79.9 | Confident | 69.9 | Low | 22 Ų | 22 | 95.2 Ų | 95.2 | 15% | 0.154 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 151.4 | 167.5 | 56.9 | 0 | 0 | 0 | 0 | 110.8 | N28 Q222 | S26-N28 WeakPolarHBondContact CB-O 3.49Å; S26-N28 PolarHBondContact OG-O 3.17Å; S26-Q222 VanDerWaalsContact CB-NE2 3.32Å; S26-Q222 WeakPolarHBondContact OG-CG 3.48Å; S26-Q222 PolarHBondContact OG-NE2 2.88Å |
| 27 | L | 77.1 | Confident | 69.7 | Low | 90 Ų | 90 | 92.4 Ų | 92.4 | 47% | 0.471 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -82.4 | -31.5 | 171.1 | -61.1 | 176.9 | 0 | 0 | 0 | 110.7 | Q220 | L27-Q220 PolarHBondContact N-O 3.45Š|
| 28 | N | 75.5 | Confident | 69.6 | Low | 28 Ų | 28 | 94 Ų | 94 | 15% | 0.15 | 49% | 0.488 | C | S | . | . | S | Bend | trans | -85.4 | 151.4 | 177 | -69.7 | -4.7 | 0 | 0 | 0 | 111.8 | S26 S32 D33 Q220 | S26-N28 WeakPolarHBondContact CB-O 3.49Å; S26-N28 PolarHBondContact OG-O 3.17Å; N28-S32 WeakPolarHBondContact CB-OG 3.34Å; N28-D33 WeakPolarHBondContact CB-OD1 3.33Å; N28-D33 PolarHBondContact ND2-OD1 3.28Å; N28-Q220 PolarHBondContact N-O 3.24Å; N28-Q220 VanDerWaalsContact N-O 3.15Å |
| 29 | S | 73.7 | Confident | 69.7 | Low | 62 Ų | 62 | 87.6 Ų | 87.6 | 43% | 0.434 | 46% | 0.462 | S | S | . | . | trans | -72.8 | 147.1 | 169 | 76.9 | 0 | 0 | 0 | 0 | 110.2 | V31 S32 D33 | S29-V31 PolarHBondContact O-N 3.47Å; S29-V31 VanDerWaalsContact O-N 3.16Å; S29-S32 PolarHBondContact N-OG 3.38Å; S29-S32 PolarHBondContact O-N 2.68Å; S29-S32 PolarHBondContact O-OG 3.02Å; S29-S32 WeakPolarHBondContact OG-CB 3.33Å; S29-S32 PolarHBondContact OG-N 3.48Å; S29-S32 VanDerWaalsContact OG-N 3.15Å; S29-S32 PolarHBondContact OG-OG 3.41Å; S29-D33 PolarHBondContact O-N 2.69Å; S29-D33 VanDerWaalsContact O-N 3.08Å | ||
| 30 | P | 69 | Low | 70 | Confident | 98 Ų | 98 | 81.4 Ų | 81.4 | 64% | 0.636 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -54.4 | -35.6 | 176.7 | -26.7 | 34.5 | 0 | 0 | 0 | 113.2 | D33 M34 | P30-D33 PolarHBondContact O-N 3.34Å; P30-M34 WeakPolarHBondContact O-CB 3.24Å; P30-M34 PolarHBondContact O-N 3.25Å |
| 31 | V | 71.4 | Confident | 70.1 | Confident | 112 Ų | 112 | 82.9 Ų | 82.9 | 68% | 0.679 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -64 | -44.1 | 176.6 | -179.3 | 0 | 0 | 0 | 0 | 111.2 | S29 D33 M34 M35 | S29-V31 PolarHBondContact O-N 3.47Å; S29-V31 VanDerWaalsContact O-N 3.16Å; V31-D33 VanDerWaalsContact C-N 3.32Å; V31-D33 PolarHBondContact O-N 3.42Å; V31-M34 PolarHBondContact O-N 2.89Å; V31-M35 PolarHBondContact O-N 3.26Å |
| 32 | S | 71.2 | Confident | 70.6 | Confident | 34 Ų | 34 | 81.9 Ų | 81.9 | 24% | 0.238 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -66.9 | -34 | 178.4 | 72.5 | 0 | 0 | 0 | 0 | 112.7 | N28 S29 R36 | N28-S32 WeakPolarHBondContact CB-OG 3.34Å; S29-S32 PolarHBondContact N-OG 3.38Å; S29-S32 PolarHBondContact O-N 2.68Å; S29-S32 PolarHBondContact O-OG 3.02Å; S29-S32 WeakPolarHBondContact OG-CB 3.33Å; S29-S32 PolarHBondContact OG-N 3.48Å; S29-S32 VanDerWaalsContact OG-N 3.15Å; S29-S32 PolarHBondContact OG-OG 3.41Å; S32-R36 VanDerWaalsContact O-CG 3.3Å; S32-R36 WeakPolarHBondContact O-CG 3.39Å; S32-R36 PolarHBondContact O-N 2.73Å |
| 33 | D | 70.3 | Confident | 70.7 | Confident | 15 Ų | 15 | 80 Ų | 80 | 8% | 0.08 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -69.2 | -44.4 | 176.2 | -75.9 | -13.4 | 0 | 0 | 0 | 110.8 | N28 S29 P30 V31 M35 R36 Q37 T221 | N28-D33 WeakPolarHBondContact CB-OD1 3.33Å; N28-D33 PolarHBondContact ND2-OD1 3.28Å; S29-D33 PolarHBondContact O-N 2.69Å; S29-D33 VanDerWaalsContact O-N 3.08Å; P30-D33 PolarHBondContact O-N 3.34Å; V31-D33 VanDerWaalsContact C-N 3.32Å; V31-D33 PolarHBondContact O-N 3.42Å; D33-M35 PolarHBondContact O-N 3.12Å; D33-R36 PolarHBondContact O-N 3.5Å; D33-Q37 PolarHBondContact O-N 2.83Å; D33-Q37 VanDerWaalsContact O-N 3.14Å; D33-T221 VanDerWaalsContact OD1-CG2 3.29Å; D33-T221 WeakPolarHBondContact OD1-CG2 3.35Å; D33-T221 WeakPolarHBondContact OD2-CA 3.04Å; D33-T221 VanDerWaalsContact OD2-CB 3.29Å; D33-T221 WeakPolarHBondContact OD2-CB 3.32Å |
| 34 | M | 66.1 | Low | 70.9 | Confident | 138 Ų | 138 | 71 Ų | 71 | 68% | 0.68 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -63.2 | -41.2 | 178 | -167.8 | 167.6 | 85 | 0 | 0 | 112.2 | P30 V31 R36 Q37 G38 | P30-M34 WeakPolarHBondContact O-CB 3.24Å; P30-M34 PolarHBondContact O-N 3.25Å; V31-M34 PolarHBondContact O-N 2.89Å; M34-R36 VanDerWaalsContact C-N 3.32Å; M34-R36 PolarHBondContact O-N 3.44Å; M34-Q37 PolarHBondContact O-N 3.24Å; M34-G38 PolarHBondContact O-N 3.17Å |
| 35 | M | 65.7 | Low | 70.4 | Confident | 119 Ų | 119 | 70.3 Ų | 70.3 | 59% | 0.586 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -62.3 | -38.5 | 177.2 | -170 | 179.4 | -173.8 | 0 | 0 | 112.2 | V31 D33 I39 | V31-M35 PolarHBondContact O-N 3.26Å; D33-M35 PolarHBondContact O-N 3.12Å; M35-I39 HydrophobicContact CG-CD1 4.21Å; M35-I39 VanDerWaalsContact O-CD1 3.31Å; M35-I39 WeakPolarHBondContact O-CD1 3.38Å; M35-I39 WeakPolarHBondContact O-CG1 3.22Å |
| 36 | R | 71.9 | Confident | 69.8 | Low | 53 Ų | 53 | 69.4 Ų | 69.4 | 20% | 0.2 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -70 | -33.7 | 177.6 | -70.5 | 171 | -173 | -124 | 1.7 | 112.5 | S32 D33 M34 G38 L44 F48 Y153 | S32-R36 VanDerWaalsContact O-CG 3.3Å; S32-R36 WeakPolarHBondContact O-CG 3.39Å; S32-R36 PolarHBondContact O-N 2.73Å; D33-R36 PolarHBondContact O-N 3.5Å; M34-R36 VanDerWaalsContact C-N 3.32Å; M34-R36 PolarHBondContact O-N 3.44Å; R36-G38 VanDerWaalsContact C-N 3.34Å; R36-L44 HydrophobicContact CB-CD2 4.48Å; R36-L44 WeakPolarHBondContact O-CD2 3.32Å; R36-F48 HydrophobicContact CG-CD2 4.5Å; R36-F48 HydrophobicContact CG-CE1 4.35Å; R36-F48 HydrophobicContact CG-CE2 4.23Å; R36-F48 HydrophobicContact CG-CZ 4.15Å; R36-Y153 PolarHBondContact NH1-OH 2.94Å |
| 37 | Q | 68.3 | Low | 69.6 | Low | 104 Ų | 104 | 73.8 Ų | 73.8 | 49% | 0.486 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -69.9 | -30.1 | 178.5 | -73.8 | 175.1 | -7.3 | 0 | 0 | 113.2 | D33 M34 N223 | D33-Q37 PolarHBondContact O-N 2.83Å; D33-Q37 VanDerWaalsContact O-N 3.14Å; M34-Q37 PolarHBondContact O-N 3.24Å; Q37-N223 PolarHBondContact NE2-ND2 2.92Å |
| 38 | G | 67.7 | Low | 69.6 | Low | 66 Ų | 66 | 72.9 Ų | 72.9 | 68% | 0.68 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -9.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | M34 R36 | M34-G38 PolarHBondContact O-N 3.17Å; R36-G38 VanDerWaalsContact C-N 3.34Å |
| 39 | I | 68.7 | Low | 69.9 | Low | 33 Ų | 33 | 72.9 Ų | 72.9 | 17% | 0.169 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -97 | 130 | -173.3 | -69.8 | 166.6 | 0 | 0 | 0 | 109.9 | M35 E41 N43 L44 L47 F48 | M35-I39 HydrophobicContact CG-CD1 4.21Å; M35-I39 VanDerWaalsContact O-CD1 3.31Å; M35-I39 WeakPolarHBondContact O-CD1 3.38Å; M35-I39 WeakPolarHBondContact O-CG1 3.22Å; I39-E41 PolarHBondContact O-N 3.08Å; I39-N43 HydrophobicContact CG2-CB 3.68Å; I39-L44 HydrophobicContact CB-CD2 3.66Å; I39-L44 HydrophobicContact CB-CG 4.32Å; I39-L44 HydrophobicContact CG2-CD2 3.7Å; I39-L44 HydrophobicContact CG2-CG 4Å; I39-L47 HydrophobicContact CD1-CD1 4.09Å; I39-L47 HydrophobicContact CG2-CD1 4.07Å; I39-F48 HydrophobicContact CD1-CE2 3.49Å; I39-F48 VanDerWaalsContact CD1-CE2 3.49Å; I39-F48 HydrophobicContact CD1-CZ 3.74Å |
| 40 | P | 65.9 | Low | 70.4 | Confident | 71 Ų | 71 | 72.1 Ų | 72.1 | 46% | 0.461 | 40% | 0.403 | S | S | . | . | trans | -53 | 139.5 | 175.9 | -26.3 | 33.6 | 0 | 0 | 0 | 112 | K42 N43 L44 | P40-K42 VanDerWaalsContact C-N 3.26Å; P40-K42 HydrophobicContact CB-CG 4.27Å; P40-K42 PolarHBondContact O-N 3.24Å; P40-K42 VanDerWaalsContact O-N 3.11Å; P40-N43 WeakPolarHBondContact O-CA 3.5Å; P40-N43 WeakPolarHBondContact O-CB 3.37Å; P40-N43 PolarHBondContact O-N 3.11Å; P40-L44 PolarHBondContact O-N 3.37Å | ||
| 41 | E | 64.2 | Low | 71.2 | Confident | 83 Ų | 83 | 67.6 Ų | 67.6 | 39% | 0.388 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -52.5 | -41 | -172 | -164.1 | -173.9 | 153.5 | 0 | 0 | 113.8 | I39 N43 L44 E118 | I39-E41 PolarHBondContact O-N 3.08Å; E41-N43 PolarHBondContact O-N 3.27Å; E41-L44 WeakPolarHBondContact O-CB 3Å; E41-L44 PolarHBondContact O-N 3.41Å; E41-E118 WeakPolarHBondContact OE1-CG 3.25Å |
| 42 | K | 63.1 | Low | 72 | Confident | 142 Ų | 142 | 66.2 Ų | 66.2 | 62% | 0.617 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -57.1 | -33.6 | 175 | 62.6 | 176.1 | -175.6 | -178.7 | 0 | 113.8 | P40 | P40-K42 VanDerWaalsContact C-N 3.26Å; P40-K42 HydrophobicContact CB-CG 4.27Å; P40-K42 PolarHBondContact O-N 3.24Å; P40-K42 VanDerWaalsContact O-N 3.11Å |
| 43 | N | 67.8 | Low | 72.8 | Confident | 62 Ų | 62 | 72.6 Ų | 72.6 | 33% | 0.332 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -88.3 | -23.1 | -177.4 | -67.6 | -11.2 | 0 | 0 | 0 | 112 | I39 P40 E41 C45 L46 L47 | I39-N43 HydrophobicContact CG2-CB 3.68Å; P40-N43 WeakPolarHBondContact O-CA 3.5Å; P40-N43 WeakPolarHBondContact O-CB 3.37Å; P40-N43 PolarHBondContact O-N 3.11Å; E41-N43 PolarHBondContact O-N 3.27Å; N43-C45 PolarHBondContact O-N 3.17Å; N43-L46 PolarHBondContact O-N 3.3Å; N43-L47 HydrophobicContact CB-CD1 4.41Å; N43-L47 WeakPolarHBondContact O-CB 3.41Å; N43-L47 WeakPolarHBondContact O-CG 3.47Å; N43-L47 PolarHBondContact O-N 3.32Å |
| 44 | L | 71.9 | Confident | 73.8 | Confident | 14 Ų | 14 | 71.9 Ų | 71.9 | 7% | 0.073 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -57.1 | -37.4 | 176.4 | -69.9 | 175.3 | 0 | 0 | 0 | 111.7 | R36 I39 P40 E41 F48 Y153 | R36-L44 HydrophobicContact CB-CD2 4.48Å; R36-L44 WeakPolarHBondContact O-CD2 3.32Å; I39-L44 HydrophobicContact CB-CD2 3.66Å; I39-L44 HydrophobicContact CB-CG 4.32Å; I39-L44 HydrophobicContact CG2-CD2 3.7Å; I39-L44 HydrophobicContact CG2-CG 4Å; P40-L44 PolarHBondContact O-N 3.37Å; E41-L44 WeakPolarHBondContact O-CB 3Å; E41-L44 PolarHBondContact O-N 3.41Å; L44-F48 HydrophobicContact CD2-CD2 3.85Å; L44-F48 HydrophobicContact CD2-CE2 3.85Å; L44-F48 WeakPolarHBondContact O-CB 3.34Å; L44-F48 PolarHBondContact O-N 3.2Å; L44-Y153 HydrophobicContact CD1-CE2 4.32Å |
| 45 | C | 69.8 | Low | 75.1 | Confident | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.007 | 38% | 0.375 | C | S | . | . | I | π-helix | trans | -63.7 | -49.6 | -179 | -60.3 | 0 | 0 | 0 | 0 | 112.4 | N43 C49 G50 G51 H119 C122 | N43-C45 PolarHBondContact O-N 3.17Å; C45-C49 CarbonylContact O-C 3.57Å; C45-C49 WeakPolarHBondContact O-CA 3.49Å; C45-C49 WeakPolarHBondContact O-CB 3.42Å; C45-C49 PolarHBondContact O-N 3Å; C45-G50 PolarHBondContact O-N 3.31Å; C45-G50 VanDerWaalsContact O-N 3.16Å; C45-G51 PolarHBondContact O-N 3.27Å; C45-H119 WeakPolarHBondContact SG-CA 3.48Å; C45-H119 PolarHBondContact SG-ND1 3.41Å; C45-C122 VanDerWaalsContact CB-SG 3.53Å |
| 46 | L | 67.5 | Low | 76.4 | Confident | 111 Ų | 111 | 65.5 Ų | 65.5 | 58% | 0.581 | 35% | 0.354 | S | S | * | . | I | π-helix | trans | -66.5 | -42 | -179.5 | -76.7 | 155.4 | 0 | 0 | 0 | 110.9 | N43 | N43-L46 PolarHBondContact O-N 3.3Å |
| 47 | L | 74.6 | Confident | 77.3 | Confident | 114 Ų | 114 | 63.2 Ų | 63.2 | 60% | 0.597 | 35% | 0.346 | S | S | * | . | I | π-helix | trans | -81.8 | -35.2 | -173.9 | -67 | 172 | 0 | 0 | 0 | 113.9 | I39 N43 | I39-L47 HydrophobicContact CD1-CD1 4.09Å; I39-L47 HydrophobicContact CG2-CD1 4.07Å; N43-L47 HydrophobicContact CB-CD1 4.41Å; N43-L47 WeakPolarHBondContact O-CB 3.41Å; N43-L47 WeakPolarHBondContact O-CG 3.47Å; N43-L47 PolarHBondContact O-N 3.32Å |
| 48 | F | 76.6 | Confident | 78.4 | Confident | 71 Ų | 71 | 59.7 Ų | 59.7 | 31% | 0.311 | 33% | 0.33 | S | S | . | . | I | π-helix | trans | -120.8 | -19.9 | -170.6 | -59.3 | -76.8 | 0 | 0 | 0 | 115 | R36 I39 L44 | R36-F48 HydrophobicContact CG-CD2 4.5Å; R36-F48 HydrophobicContact CG-CE1 4.35Å; R36-F48 HydrophobicContact CG-CE2 4.23Å; R36-F48 HydrophobicContact CG-CZ 4.15Å; I39-F48 HydrophobicContact CD1-CE2 3.49Å; I39-F48 VanDerWaalsContact CD1-CE2 3.49Å; I39-F48 HydrophobicContact CD1-CZ 3.74Å; L44-F48 HydrophobicContact CD2-CD2 3.85Å; L44-F48 HydrophobicContact CD2-CE2 3.85Å; L44-F48 WeakPolarHBondContact O-CB 3.34Å; L44-F48 PolarHBondContact O-N 3.2Å |
| 49 | C | 82.2 | Confident | 79.3 | Confident | 28 Ų | 28 | 56.6 Ų | 56.6 | 19% | 0.189 | 30% | 0.298 | C | S | . | . | I | π-helix | trans | -104.3 | -15.9 | -177.2 | -67.5 | 0 | 0 | 0 | 0 | 113.7 | C45 C54 C122 | C45-C49 CarbonylContact O-C 3.57Å; C45-C49 WeakPolarHBondContact O-CA 3.49Å; C45-C49 WeakPolarHBondContact O-CB 3.42Å; C45-C49 PolarHBondContact O-N 3Å; C49-C54 WeakPolarHBondContact O-CA 2.93Å; C49-C54 VanDerWaalsContact O-CB 3.23Å; C49-C54 WeakPolarHBondContact O-CB 3.09Å; C49-C54 PolarHBondContact O-SG 3.39Å; C49-C122 VanDerWaalsContact CB-SG 3.55Å |
| 50 | G | 83.7 | Confident | 80.1 | Confident | 45 Ų | 45 | 57.9 Ų | 57.9 | 46% | 0.464 | 31% | 0.31 | S | S | . | . | trans | 87.6 | 11.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | C45 S52 K53 | C45-G50 PolarHBondContact O-N 3.31Å; C45-G50 VanDerWaalsContact O-N 3.16Å; G50-S52 PolarHBondContact O-N 2.74Å; G50-K53 PolarHBondContact O-N 2.81Å; G50-K53 VanDerWaalsContact O-N 3.1Å | ||
| 51 | G | 87.2 | Confident | 81.2 | Confident | 4 Ų | 4 | 58.9 Ų | 58.9 | 4% | 0.041 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | 54.6 | -129 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | C45 K53 C54 S121 C122 G123 | C45-G51 PolarHBondContact O-N 3.27Å; G51-K53 PolarHBondContact O-N 3.31Å; G51-K53 VanDerWaalsContact O-N 3.16Å; G51-C54 WeakPolarHBondContact O-CB 3.32Å; G51-C54 PolarHBondContact O-N 3.47Å; G51-S121 CarbonylContact C-O 3.54Å; G51-S121 WeakPolarHBondContact CA-O 3.31Å; G51-C122 VanDerWaalsContact O-CA 3.31Å; G51-C122 WeakPolarHBondContact O-CA 3.48Å; G51-G123 PolarHBondContact O-N 3.27Å |
| 52 | S | 87.9 | Confident | 82.4 | Confident | 83 Ų | 83 | 60.4 Ų | 60.4 | 58% | 0.58 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -59 | -26.8 | 179.7 | 57.4 | 0 | 0 | 0 | 0 | 113.7 | G50 C54 N58 S121 G123 | G50-S52 PolarHBondContact O-N 2.74Å; S52-C54 VanDerWaalsContact C-N 3.3Å; S52-C54 PolarHBondContact O-N 3.08Å; S52-N58 PolarHBondContact O-ND2 3.48Å; S52-S121 PolarHBondContact N-O 3Å; S52-G123 WeakPolarHBondContact O-CA 3.23Å |
| 53 | K | 88.5 | Confident | 83.8 | Confident | 167 Ų | 167 | 54.7 Ų | 54.7 | 73% | 0.726 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -90.3 | 17.3 | 175.3 | -62.7 | -173.1 | 180 | -177.3 | 0 | 113.5 | G50 G51 K55 | G50-K53 PolarHBondContact O-N 2.81Å; G50-K53 VanDerWaalsContact O-N 3.1Å; G51-K53 PolarHBondContact O-N 3.31Å; G51-K53 VanDerWaalsContact O-N 3.16Å; K53-K55 PolarHBondContact O-N 3.27Å; K53-K55 VanDerWaalsContact O-N 3.17Å |
| 54 | C | 91.6 | Very high | 84.9 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.007 | 31% | 0.314 | C | S | . | . | trans | -55.8 | 123.8 | 179.8 | -179 | 0 | 0 | 0 | 0 | 111.4 | C49 G51 S52 Y56 C57 N58 C122 H182 | C49-C54 WeakPolarHBondContact O-CA 2.93Å; C49-C54 VanDerWaalsContact O-CB 3.23Å; C49-C54 WeakPolarHBondContact O-CB 3.09Å; C49-C54 PolarHBondContact O-SG 3.39Å; G51-C54 WeakPolarHBondContact O-CB 3.32Å; G51-C54 PolarHBondContact O-N 3.47Å; S52-C54 VanDerWaalsContact C-N 3.3Å; S52-C54 PolarHBondContact O-N 3.08Å; C54-Y56 VanDerWaalsContact C-N 3.29Å; C54-Y56 PolarHBondContact O-N 3.12Å; C54-C57 HydrophobicContact CB-CB 4.14Å; C54-C57 CarbonylContact O-C 3.36Å; C54-C57 PolarHBondContact O-N 3.06Å; C54-N58 PolarHBondContact O-N 3.08Å; C54-N58 PolarHBondContact O-ND2 2.82Å; C54-C122 HydrophobicContact CB-CB 4.28Å; C54-H182 VanDerWaalsContact SG-CE1 3.59Å | ||
| 55 | K | 92.2 | Very high | 85.7 | Confident | 85 Ų | 85 | 64.7 Ų | 64.7 | 37% | 0.37 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -59.6 | -36.1 | -177.1 | 66.1 | 176.4 | -173.4 | 168.9 | 0 | 113.8 | K53 C57 N58 P59 F62 F63 | K53-K55 PolarHBondContact O-N 3.27Å; K53-K55 VanDerWaalsContact O-N 3.17Å; K55-C57 VanDerWaalsContact C-N 3.29Å; K55-C57 PolarHBondContact O-N 3.36Å; K55-N58 CarbonylContact O-C 3.35Å; K55-N58 PolarHBondContact O-N 3.38Å; K55-P59 WeakPolarHBondContact O-CA 3.44Å; K55-F62 HydrophobicContact CB-CB 3.88Å; K55-F62 HydrophobicContact CB-CD1 3.82Å; K55-F62 HydrophobicContact CB-CD2 3.71Å; K55-F62 HydrophobicContact CB-CE1 4.24Å; K55-F62 HydrophobicContact CB-CE2 4.15Å; K55-F62 HydrophobicContact CB-CG 3.53Å; K55-F62 HydrophobicContact CB-CZ 4.39Å; K55-F63 HydrophobicContact CB-CE2 4.37Å; K55-F63 HydrophobicContact CB-CZ 4.43Å; K55-F63 HydrophobicContact CD-CZ 3.94Å; K55-F63 HydrophobicContact CG-CE2 4.42Å; K55-F63 HydrophobicContact CG-CZ 4.09Å; K55-F63 WeakPolarHBondContact O-CE2 3.48Å |
| 56 | Y | 93 | Very high | 86.6 | Confident | 38 Ų | 38 | 70 Ų | 70 | 15% | 0.149 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -76.7 | -16.5 | 178.8 | -58.7 | -68.1 | 0 | 0 | 0 | 113.3 | C54 P59 F63 Y74 S86 A183 L185 | C54-Y56 VanDerWaalsContact C-N 3.29Å; C54-Y56 PolarHBondContact O-N 3.12Å; Y56-P59 WeakPolarHBondContact O-CG 3.35Å; Y56-F63 HydrophobicContact CD1-CE2 4.03Å; Y56-F63 AromaticContact CD1-CZ 3.8Å; Y56-F63 HydrophobicContact CD1-CZ 3.8Å; Y56-F63 HydrophobicContact CE1-CE2 4.36Å; Y56-F63 AromaticContact CE1-CZ 3.66Å; Y56-F63 HydrophobicContact CE1-CZ 3.66Å; Y56-Y74 AromaticContact CD1-CD1 3.7Å; Y56-Y74 HydrophobicContact CD1-CD1 3.7Å; Y56-Y74 HydrophobicContact CD1-CE1 4.41Å; Y56-Y74 HydrophobicContact CD1-CG 4.21Å; Y56-Y74 AromaticContact CE1-CD1 3.63Å; Y56-Y74 HydrophobicContact CE1-CD1 3.63Å; Y56-Y74 AromaticContact CE1-CE1 3.88Å; Y56-Y74 HydrophobicContact CE1-CE1 3.88Å; Y56-Y74 HydrophobicContact CE1-CG 4.34Å; Y56-S86 WeakPolarHBondContact O-CB 3.35Å; Y56-S86 PolarHBondContact O-OG 2.93Å; Y56-A183 HydrophobicContact CD1-CB 3.98Å; Y56-A183 HydrophobicContact CD2-CB 3.47Å; Y56-A183 VanDerWaalsContact CD2-CB 3.47Å; Y56-A183 HydrophobicContact CE1-CB 4.09Å; Y56-A183 HydrophobicContact CE2-CB 3.57Å; Y56-A183 HydrophobicContact CG-CB 3.67Å; Y56-L185 HydrophobicContact CE1-CD1 4.31Å; Y56-L185 WeakPolarHBondContact OH-CD1 3.45Å |
| 57 | C | 92.1 | Very high | 87.7 | Confident | 5 Ų | 5 | 68 Ų | 68 | 3% | 0.034 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -98.9 | -2.2 | 172.3 | -61.8 | 0 | 0 | 0 | 0 | 112.7 | C54 K55 R87 I92 | C54-C57 HydrophobicContact CB-CB 4.14Å; C54-C57 CarbonylContact O-C 3.36Å; C54-C57 PolarHBondContact O-N 3.06Å; K55-C57 VanDerWaalsContact C-N 3.29Å; K55-C57 PolarHBondContact O-N 3.36Å; C57-R87 PolarHBondContact SG-NE 2.95Å; C57-I92 WeakPolarHBondContact O-CD1 3.49Å |
| 58 | N | 91 | Very high | 88.7 | Confident | 29 Ų | 29 | 63.3 Ų | 63.3 | 16% | 0.155 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -133.9 | 53.2 | 173.3 | -59.7 | -82.9 | 0 | 0 | 0 | 111.3 | S52 C54 K55 S60 S61 F62 | S52-N58 PolarHBondContact O-ND2 3.48Å; C54-N58 PolarHBondContact O-N 3.08Å; C54-N58 PolarHBondContact O-ND2 2.82Å; K55-N58 CarbonylContact O-C 3.35Å; K55-N58 PolarHBondContact O-N 3.38Å; N58-S60 VanDerWaalsContact C-N 3.32Å; N58-S60 PolarHBondContact O-N 3.32Å; N58-S61 PolarHBondContact O-N 3.19Å; N58-S61 VanDerWaalsContact O-N 3.1Å; N58-F62 HydrophobicContact CB-CD2 4.32Å; N58-F62 HydrophobicContact CB-CE2 4.17Å; N58-F62 WeakPolarHBondContact O-CD2 3.08Å |
| 59 | P | 86 | Confident | 89.6 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.006 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -61.1 | -35.6 | -162.3 | -27.7 | 40.9 | 0 | 0 | 0 | 114.8 | K55 Y56 S61 F62 F63 M68 G72 | K55-P59 WeakPolarHBondContact O-CA 3.44Å; Y56-P59 WeakPolarHBondContact O-CG 3.35Å; P59-S61 PolarHBondContact O-N 3Å; P59-S61 VanDerWaalsContact O-N 3.08Å; P59-F62 PolarHBondContact O-N 3.01Å; P59-F63 HydrophobicContact CB-CD2 3.86Å; P59-F63 HydrophobicContact CB-CE2 4.44Å; P59-F63 PolarHBondContact O-N 3.46Å; P59-M68 HydrophobicContact CB-SD 3.77Å; P59-G72 WeakPolarHBondContact CD-O 3.42Å; P59-G72 WeakPolarHBondContact CG-O 3.41Å |
| 60 | S | 86.5 | Confident | 90.3 | Very high | 61 Ų | 61 | 62.2 Ų | 62.2 | 43% | 0.427 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -59.5 | -20.4 | 179.1 | 54.6 | 0 | 0 | 0 | 0 | 114.4 | N58 | N58-S60 VanDerWaalsContact C-N 3.32Å; N58-S60 PolarHBondContact O-N 3.32Å |
| 61 | S | 88.2 | Confident | 90.9 | Very high | 92 Ų | 92 | 63.7 Ų | 63.7 | 64% | 0.643 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -93.1 | -9.1 | 177.5 | -55.7 | 0 | 0 | 0 | 0 | 113.8 | N58 P59 | N58-S61 PolarHBondContact O-N 3.19Å; N58-S61 VanDerWaalsContact O-N 3.1Å; P59-S61 PolarHBondContact O-N 3Å; P59-S61 VanDerWaalsContact O-N 3.08Å |
| 62 | F | 90 | Very high | 91.3 | Very high | 114 Ų | 114 | 63.5 Ų | 63.5 | 50% | 0.5 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.1 | -17.6 | -169 | -69.4 | -85 | 0 | 0 | 0 | 115 | K55 N58 P59 | K55-F62 HydrophobicContact CB-CB 3.88Å; K55-F62 HydrophobicContact CB-CD1 3.82Å; K55-F62 HydrophobicContact CB-CD2 3.71Å; K55-F62 HydrophobicContact CB-CE1 4.24Å; K55-F62 HydrophobicContact CB-CE2 4.15Å; K55-F62 HydrophobicContact CB-CG 3.53Å; K55-F62 HydrophobicContact CB-CZ 4.39Å; N58-F62 HydrophobicContact CB-CD2 4.32Å; N58-F62 HydrophobicContact CB-CE2 4.17Å; N58-F62 WeakPolarHBondContact O-CD2 3.08Å; P59-F62 PolarHBondContact O-N 3.01Å |
| 63 | F | 91.4 | Very high | 91.7 | Very high | 23 Ų | 23 | 59.5 Ų | 59.5 | 10% | 0.101 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -129.4 | 146.5 | -175.1 | -57.8 | -71.9 | 0 | 0 | 0 | 110.9 | K55 Y56 P59 E67 M68 Y74 | K55-F63 HydrophobicContact CB-CE2 4.37Å; K55-F63 HydrophobicContact CB-CZ 4.43Å; K55-F63 HydrophobicContact CD-CZ 3.94Å; K55-F63 HydrophobicContact CG-CE2 4.42Å; K55-F63 HydrophobicContact CG-CZ 4.09Å; K55-F63 WeakPolarHBondContact O-CE2 3.48Å; Y56-F63 HydrophobicContact CD1-CE2 4.03Å; Y56-F63 AromaticContact CD1-CZ 3.8Å; Y56-F63 HydrophobicContact CD1-CZ 3.8Å; Y56-F63 HydrophobicContact CE1-CE2 4.36Å; Y56-F63 AromaticContact CE1-CZ 3.66Å; Y56-F63 HydrophobicContact CE1-CZ 3.66Å; P59-F63 HydrophobicContact CB-CD2 3.86Å; P59-F63 HydrophobicContact CB-CE2 4.44Å; P59-F63 PolarHBondContact O-N 3.46Å; F63-E67 HydrophobicContact CB-CB 4.12Å; F63-M68 HydrophobicContact CB-CG 4.3Å; F63-M68 WeakPolarHBondContact O-CE 3.37Å; F63-Y74 AromaticContact CD1-CD2 3.82Å; F63-Y74 HydrophobicContact CD1-CD2 3.82Å; F63-Y74 HydrophobicContact CD1-CE2 4.1Å; F63-Y74 HydrophobicContact CD2-CD2 4.12Å; F63-Y74 HydrophobicContact CD2-CG 4.29Å; F63-Y74 AromaticContact CE1-CD2 3.92Å; F63-Y74 HydrophobicContact CE1-CD2 3.92Å; F63-Y74 HydrophobicContact CE1-CE2 4.08Å; F63-Y74 HydrophobicContact CE1-CG 4.39Å; F63-Y74 HydrophobicContact CE2-CD2 4.21Å; F63-Y74 HydrophobicContact CE2-CG 4.08Å; F63-Y74 AromaticContact CG-CD2 3.92Å; F63-Y74 HydrophobicContact CG-CD2 3.92Å; F63-Y74 HydrophobicContact CZ-CD2 4.12Å; F63-Y74 HydrophobicContact CZ-CG 4.13Å |
| 64 | D | 90.6 | Very high | 92.2 | Very high | 118 Ų | 118 | 52.3 Ų | 52.3 | 63% | 0.631 | 27% | 0.272 | S | S | * | . | trans | -77 | 162.6 | 176.5 | -64.4 | -33.5 | 0 | 0 | 0 | 111.3 | T66 E67 | D64-T66 PolarHBondContact O-N 3.32Å; D64-T66 VanDerWaalsContact O-N 3.09Å; D64-E67 PolarHBondContact O-N 3.49Å | ||
| 65 | E | 88.4 | Confident | 92.5 | Very high | 167 Ų | 167 | 52.3 Ų | 52.3 | 78% | 0.78 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -56.1 | -30.1 | 178.5 | -65.5 | -173.6 | 168.7 | 0 | 0 | 113 | E67 M68 | E65-E67 PolarHBondContact O-N 3.03Å; E65-M68 CarbonylContact O-C 3.56Å; E65-M68 PolarHBondContact O-N 2.93Å; E65-M68 VanDerWaalsContact O-N 3.13Å |
| 66 | T | 88.9 | Confident | 92.7 | Very high | 113 Ų | 113 | 49 Ų | 49 | 69% | 0.693 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -67.9 | -22.4 | 178 | 66.7 | 0 | 0 | 0 | 0 | 113.5 | D64 | D64-T66 PolarHBondContact O-N 3.32Å; D64-T66 VanDerWaalsContact O-N 3.09Å |
| 67 | E | 91.8 | Very high | 92.9 | Very high | 70 Ų | 70 | 48.7 Ų | 48.7 | 33% | 0.327 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -93.9 | 0.3 | 176.6 | -64 | -171.4 | 95.8 | 0 | 0 | 112.5 | F63 D64 E65 Y74 S75 | F63-E67 HydrophobicContact CB-CB 4.12Å; D64-E67 PolarHBondContact O-N 3.49Å; E65-E67 PolarHBondContact O-N 3.03Å; E67-Y74 HydrophobicContact CB-CD2 4.1Å; E67-Y74 HydrophobicContact CB-CE2 4.04Å; E67-Y74 WeakPolarHBondContact O-CD2 2.88Å; E67-S75 PolarHBondContact O-N 3.28Å; E67-S75 VanDerWaalsContact O-O 3.1Å |
| 68 | M | 95.5 | Very high | 93.2 | Very high | 15 Ų | 15 | 48.5 Ų | 48.5 | 7% | 0.074 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -126.9 | 72.5 | -175.5 | -64.9 | -168 | -68.1 | 0 | 0 | 111.7 | P59 F63 E65 L70 L73 | P59-M68 HydrophobicContact CB-SD 3.77Å; F63-M68 HydrophobicContact CB-CG 4.3Å; F63-M68 WeakPolarHBondContact O-CE 3.37Å; E65-M68 CarbonylContact O-C 3.56Å; E65-M68 PolarHBondContact O-N 2.93Å; E65-M68 VanDerWaalsContact O-N 3.13Å; M68-L70 CarbonylContact C-O 3.47Å; M68-L70 CarbonylContact O-C 3.53Å; M68-L70 VanDerWaalsContact O-C 3.31Å; M68-L70 PolarHBondContact O-N 3.39Å; M68-L73 WeakPolarHBondContact CA-O 3.49Å; M68-L73 WeakPolarHBondContact CB-O 3.12Å; M68-L73 WeakPolarHBondContact CG-O 3.46Å |
| 69 | H | 95.7 | Very high | 93.5 | Very high | 76 Ų | 76 | 47.3 Ų | 47.3 | 35% | 0.352 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -60.7 | -27.2 | 176.7 | -71.5 | 79.1 | 0 | 0 | 0 | 113.5 | S75 W77 L83 M105 | H69-S75 PolarHBondContact N-O 3.1Å; H69-S75 PolarHBondContact N-OG 2.94Å; H69-S75 PolarHBondContact ND1-O 3.37Å; H69-W77 AromaticContact CD2-CD1 3.43Å; H69-W77 VanDerWaalsContact CD2-CD1 3.43Å; H69-W77 AromaticContact CG-CD1 3.84Å; H69-L83 HydrophobicContact CB-CD1 4.04Å; H69-M105 WeakPolarHBondContact O-CE 3.43Å |
| 70 | L | 96 | Very high | 94.1 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -98.8 | 117.7 | 154.6 | -74.1 | 170.1 | 0 | 0 | 0 | 107.5 | M68 G72 L73 S75 L83 Q101 F102 M105 | M68-L70 CarbonylContact C-O 3.47Å; M68-L70 CarbonylContact O-C 3.53Å; M68-L70 VanDerWaalsContact O-C 3.31Å; M68-L70 PolarHBondContact O-N 3.39Å; L70-G72 PolarHBondContact O-N 2.77Å; L70-L73 HydrophobicContact CB-CB 4.18Å; L70-L73 HydrophobicContact CB-CD1 4.46Å; L70-L73 HydrophobicContact CD1-CD1 4.05Å; L70-L73 PolarHBondContact O-N 3.12Å; L70-S75 PolarHBondContact N-OG 3.41Å; L70-L83 HydrophobicContact CD1-CD2 3.29Å; L70-L83 HydrophobicContact CG-CD2 3.59Å; L70-Q101 HydrophobicContact CD2-CB 3.71Å; L70-F102 HydrophobicContact CD1-CD2 4.17Å; L70-F102 HydrophobicContact CD1-CE2 3.47Å; L70-F102 VanDerWaalsContact CD1-CE2 3.47Å; L70-F102 HydrophobicContact CD1-CZ 4.19Å; L70-F102 HydrophobicContact CD2-CD2 3.99Å; L70-F102 HydrophobicContact CD2-CE2 4.14Å; L70-F102 HydrophobicContact CG-CE2 4.48Å; L70-M105 HydrophobicContact CD2-SD 3.55Å; L70-M105 VanDerWaalsContact CD2-SD 3.55Å; L70-M105 HydrophobicContact CG-SD 4.34Å |
| 71 | N | 95.9 | Very high | 94.6 | Very high | 75 Ų | 75 | 50.6 Ų | 50.6 | 40% | 0.401 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 133 | 175.9 | -172.3 | 14.5 | 0 | 0 | 0 | 109.4 | F96 I98 Q101 | N71-F96 WeakPolarHBondContact O-CB 3.48Å; N71-I98 WeakPolarHBondContact O-CD1 3.42Å; N71-Q101 PolarHBondContact O-NE2 3.5Å |
| 72 | G | 95.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.5 | -9.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | P59 L70 I92 | P59-G72 WeakPolarHBondContact CD-O 3.42Å; P59-G72 WeakPolarHBondContact CG-O 3.41Å; L70-G72 PolarHBondContact O-N 2.77Å; G72-I92 WeakPolarHBondContact O-CG2 3.31Å |
| 73 | L | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | B | Isolated β-bridge | trans | -130 | 132.6 | -179.8 | -64.6 | 175.4 | 0 | 0 | 0 | 112.5 | M68 L70 S75 P88 I92 I98 | M68-L73 WeakPolarHBondContact CA-O 3.49Å; M68-L73 WeakPolarHBondContact CB-O 3.12Å; M68-L73 WeakPolarHBondContact CG-O 3.46Å; L70-L73 HydrophobicContact CB-CB 4.18Å; L70-L73 HydrophobicContact CB-CD1 4.46Å; L70-L73 HydrophobicContact CD1-CD1 4.05Å; L70-L73 PolarHBondContact O-N 3.12Å; L73-S75 WeakPolarHBondContact O-CB 3.42Å; L73-S75 PolarHBondContact O-N 3.05Å; L73-S75 PolarHBondContact O-OG 3.12Å; L73-P88 HydrophobicContact CD1-CG 4.2Å; L73-I92 HydrophobicContact CD2-CD1 4.39Å; L73-I92 HydrophobicContact CD2-CG2 3.79Å; L73-I92 HydrophobicContact CG-CG2 4.17Å; L73-I98 HydrophobicContact CD1-CD1 3.91Å; L73-I98 HydrophobicContact CD1-CG1 4.44Å; L73-I98 HydrophobicContact CD1-CG2 4.2Å; L73-I98 HydrophobicContact CG-CD1 3.99Å |
| 74 | Y | 97.4 | Very high | 95.9 | Very high | 16 Ų | 16 | 39.8 Ų | 39.8 | 6% | 0.063 | 20% | 0.2 | C | C | . | . | trans | -65.6 | 102.6 | 171.8 | 176.3 | -115.7 | 0 | 0 | 0 | 109.6 | Y56 F63 E67 T85 S86 L185 R215 | Y56-Y74 AromaticContact CD1-CD1 3.7Å; Y56-Y74 HydrophobicContact CD1-CD1 3.7Å; Y56-Y74 HydrophobicContact CD1-CE1 4.41Å; Y56-Y74 HydrophobicContact CD1-CG 4.21Å; Y56-Y74 AromaticContact CE1-CD1 3.63Å; Y56-Y74 HydrophobicContact CE1-CD1 3.63Å; Y56-Y74 AromaticContact CE1-CE1 3.88Å; Y56-Y74 HydrophobicContact CE1-CE1 3.88Å; Y56-Y74 HydrophobicContact CE1-CG 4.34Å; F63-Y74 AromaticContact CD1-CD2 3.82Å; F63-Y74 HydrophobicContact CD1-CD2 3.82Å; F63-Y74 HydrophobicContact CD1-CE2 4.1Å; F63-Y74 HydrophobicContact CD2-CD2 4.12Å; F63-Y74 HydrophobicContact CD2-CG 4.29Å; F63-Y74 AromaticContact CE1-CD2 3.92Å; F63-Y74 HydrophobicContact CE1-CD2 3.92Å; F63-Y74 HydrophobicContact CE1-CE2 4.08Å; F63-Y74 HydrophobicContact CE1-CG 4.39Å; F63-Y74 HydrophobicContact CE2-CD2 4.21Å; F63-Y74 HydrophobicContact CE2-CG 4.08Å; F63-Y74 AromaticContact CG-CD2 3.92Å; F63-Y74 HydrophobicContact CG-CD2 3.92Å; F63-Y74 HydrophobicContact CZ-CD2 4.12Å; F63-Y74 HydrophobicContact CZ-CG 4.13Å; E67-Y74 HydrophobicContact CB-CD2 4.1Å; E67-Y74 HydrophobicContact CB-CE2 4.04Å; E67-Y74 WeakPolarHBondContact O-CD2 2.88Å; Y74-T85 CarbonylContact O-C 3.31Å; Y74-T85 WeakPolarHBondContact O-CA 3.31Å; Y74-S86 PolarHBondContact N-OG 3.24Å; Y74-S86 PolarHBondContact O-N 3.39Å; Y74-L185 HydrophobicContact CE1-CD2 4.25Å; Y74-R215 PolarHBondContact O-NH1 2.7Å; Y74-R215 PolarHBondContact O-NH2 3.01Å | ||
| 75 | S | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 139.5 | -161.2 | 57 | 0 | 0 | 0 | 0 | 112.7 | E67 H69 L70 L73 A84 | E67-S75 PolarHBondContact O-N 3.28Å; E67-S75 VanDerWaalsContact O-O 3.1Å; H69-S75 PolarHBondContact N-O 3.1Å; H69-S75 PolarHBondContact N-OG 2.94Å; H69-S75 PolarHBondContact ND1-O 3.37Å; L70-S75 PolarHBondContact N-OG 3.41Å; L73-S75 WeakPolarHBondContact O-CB 3.42Å; L73-S75 PolarHBondContact O-N 3.05Å; L73-S75 PolarHBondContact O-OG 3.12Å; S75-A84 CarbonylContact C-O 3.53Å; S75-A84 VanDerWaalsContact CA-O 3.23Å; S75-A84 WeakPolarHBondContact CA-O 3.31Å |
| 76 | T | 97.3 | Very high | 96.6 | Very high | 16 Ų | 16 | 26.2 Ų | 26.2 | 10% | 0.098 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 130.9 | -174 | -41.6 | 0 | 0 | 0 | 0 | 110.9 | I78 A84 R214 R215 | T76-I78 PolarHBondContact O-N 2.94Å; T76-A84 PolarHBondContact N-O 2.88Å; T76-A84 PolarHBondContact O-N 3.13Å; T76-R214 WeakPolarHBondContact CG2-O 3.34Å; T76-R215 PolarHBondContact OG1-NH1 3.44Å |
| 77 | W | 97.8 | Very high | 97 | Very high | 32 Ų | 32 | 21.1 Ų | 21.1 | 12% | 0.121 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 111.9 | 170.3 | -74.2 | 108.7 | 0 | 0 | 0 | 109.5 | H69 I82 L83 M105 I107 K176 R214 | H69-W77 AromaticContact CD2-CD1 3.43Å; H69-W77 VanDerWaalsContact CD2-CD1 3.43Å; H69-W77 AromaticContact CG-CD1 3.84Å; W77-I82 VanDerWaalsContact CE3-C 3.46Å; W77-L83 HydrophobicContact CD2-CB 4.16Å; W77-L83 HydrophobicContact CD2-CD1 3.71Å; W77-L83 HydrophobicContact CE3-CB 3.81Å; W77-L83 HydrophobicContact CE3-CD1 4.24Å; W77-L83 HydrophobicContact CG-CD1 3.88Å; W77-L83 HydrophobicContact CH2-CB 3.89Å; W77-L83 HydrophobicContact CZ2-CB 4.24Å; W77-L83 HydrophobicContact CZ2-CD1 4.22Å; W77-L83 HydrophobicContact CZ3-CB 3.68Å; W77-M105 HydrophobicContact CZ2-CE 3.62Å; W77-I107 HydrophobicContact CH2-CD1 4.04Å; W77-I107 HydrophobicContact CH2-CG1 3.97Å; W77-I107 HydrophobicContact CZ2-CD1 4.19Å; W77-I107 HydrophobicContact CZ2-CG1 4.44Å; W77-K176 HydrophobicContact CH2-CB 3.98Å; W77-K176 HydrophobicContact CH2-CD 3.52Å; W77-K176 HydrophobicContact CH2-CG 4.37Å; W77-K176 HydrophobicContact CZ2-CD 4.28Å; W77-K176 HydrophobicContact CZ3-CB 4.2Å; W77-K176 HydrophobicContact CZ3-CD 3.93Å; W77-R214 PolarHBondContact O-NE 2.95Å; W77-R214 VanDerWaalsContact O-NE 3.16Å; W77-R214 PolarHBondContact O-NH2 3.04Å |
| 78 | I | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -75.2 | -45.5 | 173.2 | -54.4 | -56.5 | 0 | 0 | 0 | 109 | T76 I82 A84 I192 Y210 V211 R214 R215 | T76-I78 PolarHBondContact O-N 2.94Å; I78-I82 PolarHBondContact N-O 3.24Å; I78-A84 HydrophobicContact CD1-CB 4Å; I78-A84 HydrophobicContact CG1-CB 3.77Å; I78-I192 HydrophobicContact CB-CG2 4.22Å; I78-I192 HydrophobicContact CG1-CD1 3.94Å; I78-I192 HydrophobicContact CG1-CG2 4.33Å; I78-I192 HydrophobicContact CG2-CG2 3.82Å; I78-Y210 HydrophobicContact CG2-CD1 4.25Å; I78-Y210 HydrophobicContact CG2-CE1 4.02Å; I78-Y210 WeakPolarHBondContact O-CE1 3.46Å; I78-Y210 PolarHBondContact O-OH 3.46Å; I78-Y210 VanDerWaalsContact O-OH 3.09Å; I78-V211 HydrophobicContact CG2-CG2 4.2Å; I78-R214 HydrophobicContact CD1-CB 3.92Å; I78-R214 HydrophobicContact CG2-CB 4.32Å; I78-R214 HydrophobicContact CG2-CG 4.44Å; I78-R214 WeakPolarHBondContact O-CG 3.31Å; I78-R214 PolarHBondContact O-NE 2.95Å; I78-R215 HydrophobicContact CD1-CB 3.53Å |
| 79 | T | 97.8 | Very high | 97.3 | Very high | 5 Ų | 5 | 17.5 Ų | 17.5 | 3% | 0.031 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -127.6 | -175.2 | 172 | 72.8 | 0 | 0 | 0 | 0 | 109.7 | E5 L7 N81 I82 L196 Y210 | E5-T79 HydrophobicContact CB-CG2 4Å; E5-T79 HydrophobicContact CG-CG2 4.11Å; E5-T79 WeakPolarHBondContact OE2-CB 3.34Å; E5-T79 PolarHBondContact OE2-OG1 3.13Å; L7-T79 HydrophobicContact CD2-CG2 4.42Å; T79-N81 PolarHBondContact O-N 3.41Å; T79-N81 PolarHBondContact OG1-N 2.81Å; T79-I82 PolarHBondContact N-O 3.41Å; T79-I82 PolarHBondContact OG1-N 2.8Å; T79-I82 VanDerWaalsContact OG1-N 3.15Å; T79-L196 HydrophobicContact CG2-CD2 4.09Å; T79-Y210 HydrophobicContact CG2-CE1 4.27Å |
| 80 | Q | 96.7 | Very high | 97.3 | Very high | 103 Ų | 103 | 16.1 Ų | 16.1 | 48% | 0.481 | 8% | 0.079 | S | C | . | . | S | Bend | trans | -66.3 | -22.3 | 174.8 | -67.1 | -178.6 | -6.8 | 0 | 0 | 113.4 | K176 | Q80-K176 WeakPolarHBondContact O-CD 3.47Å; Q80-K176 WeakPolarHBondContact O-CE 3.47Å |
| 81 | N | 98.1 | Very high | 97.2 | Very high | 27 Ų | 27 | 21 Ų | 21 | 14% | 0.144 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -111.7 | -14.1 | -174.8 | -58.1 | -46.2 | 0 | 0 | 0 | 114.2 | E5 T79 I172 K176 I177 | E5-N81 PolarHBondContact OE1-ND2 3.44Å; E5-N81 PolarHBondContact OE2-ND2 3.38Å; T79-N81 PolarHBondContact O-N 3.41Å; T79-N81 PolarHBondContact OG1-N 2.81Å; N81-I172 HydrophobicContact CB-CG1 4.35Å; N81-I172 HydrophobicContact CB-CG2 3.94Å; N81-K176 WeakPolarHBondContact O-CA 3.38Å; N81-I177 PolarHBondContact O-N 2.98Å |
| 82 | I | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.005 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 112.9 | -173.3 | -54.8 | 175.1 | 0 | 0 | 0 | 111.1 | W77 I78 T79 I172 I177 V179 I192 Y195 | W77-I82 VanDerWaalsContact CE3-C 3.46Å; I78-I82 PolarHBondContact N-O 3.24Å; T79-I82 PolarHBondContact N-O 3.41Å; T79-I82 PolarHBondContact OG1-N 2.8Å; T79-I82 VanDerWaalsContact OG1-N 3.15Å; I82-I172 HydrophobicContact CD1-CD1 3.76Å; I82-I172 HydrophobicContact CG1-CD1 3.7Å; I82-I172 HydrophobicContact CG1-CG1 4.45Å; I82-I177 HydrophobicContact CB-CG1 4.46Å; I82-I177 HydrophobicContact CG1-CD1 4.31Å; I82-I177 HydrophobicContact CG1-CG1 4.13Å; I82-I177 HydrophobicContact CG2-CG1 4.36Å; I82-V179 HydrophobicContact CG2-CG2 4.25Å; I82-I192 HydrophobicContact CG2-CD1 3.77Å; I82-I192 HydrophobicContact CG2-CG1 3.91Å; I82-I192 HydrophobicContact CG2-CG2 4.34Å; I82-Y195 HydrophobicContact CD1-CD1 3.44Å; I82-Y195 VanDerWaalsContact CD1-CD1 3.44Å; I82-Y195 HydrophobicContact CD1-CE1 3.44Å; I82-Y195 VanDerWaalsContact CD1-CE1 3.44Å; I82-Y195 HydrophobicContact CD1-CG 4.46Å |
| 83 | L | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 119.9 | 171.3 | -173.4 | 75.8 | 0 | 0 | 0 | 110.2 | H69 L70 W77 I107 I177 A178 V179 | H69-L83 HydrophobicContact CB-CD1 4.04Å; L70-L83 HydrophobicContact CD1-CD2 3.29Å; L70-L83 HydrophobicContact CG-CD2 3.59Å; W77-L83 HydrophobicContact CD2-CB 4.16Å; W77-L83 HydrophobicContact CD2-CD1 3.71Å; W77-L83 HydrophobicContact CE3-CB 3.81Å; W77-L83 HydrophobicContact CE3-CD1 4.24Å; W77-L83 HydrophobicContact CG-CD1 3.88Å; W77-L83 HydrophobicContact CH2-CB 3.89Å; W77-L83 HydrophobicContact CZ2-CB 4.24Å; W77-L83 HydrophobicContact CZ2-CD1 4.22Å; W77-L83 HydrophobicContact CZ3-CB 3.68Å; L83-I107 HydrophobicContact CD2-CD1 3.91Å; L83-I177 PolarHBondContact N-O 3.33Å; L83-A178 HydrophobicContact CD2-CB 4.49Å; L83-A178 CarbonylContact O-C 3.56Å; L83-A178 WeakPolarHBondContact O-CA 3.5Å; L83-V179 PolarHBondContact O-N 3.08Å |
| 84 | A | 98.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.008 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 131.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | S75 T76 I78 T188 I192 | S75-A84 CarbonylContact C-O 3.53Å; S75-A84 VanDerWaalsContact CA-O 3.23Å; S75-A84 WeakPolarHBondContact CA-O 3.31Å; T76-A84 PolarHBondContact N-O 2.88Å; T76-A84 PolarHBondContact O-N 3.13Å; I78-A84 HydrophobicContact CD1-CB 4Å; I78-A84 HydrophobicContact CG1-CB 3.77Å; A84-T188 HydrophobicContact CB-CG2 3.81Å; A84-I192 HydrophobicContact CB-CD1 3.81Å |
| 85 | T | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 154.4 | -176.4 | -175.1 | 0 | 0 | 0 | 0 | 112.5 | Y74 A178 V179 H180 G184 | Y74-T85 CarbonylContact O-C 3.31Å; Y74-T85 WeakPolarHBondContact O-CA 3.31Å; T85-A178 HydrophobicContact CG2-CB 4.34Å; T85-V179 PolarHBondContact N-O 3.25Å; T85-H180 HydrophobicContact CG2-CB 3.72Å; T85-H180 WeakPolarHBondContact O-CA 3.48Å; T85-H180 WeakPolarHBondContact O-CB 3.35Å; T85-G184 VanDerWaalsContact O-CA 3.26Å; T85-G184 WeakPolarHBondContact O-CA 3.49Å |
| 86 | S | 97.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | P | Polyproline II helix | trans | -63.8 | 157.8 | 159.7 | 58.5 | 0 | 0 | 0 | 0 | 110.2 | Y56 Y74 H182 | Y56-S86 WeakPolarHBondContact O-CB 3.35Å; Y56-S86 PolarHBondContact O-OG 2.93Å; Y74-S86 PolarHBondContact N-OG 3.24Å; Y74-S86 PolarHBondContact O-N 3.39Å; S86-H182 WeakPolarHBondContact CA-O 3.39Å |
| 87 | R | 96.9 | Very high | 97.1 | Very high | 6 Ų | 6 | 34.4 Ų | 34.4 | 2% | 0.023 | 16% | 0.163 | C | C | . | . | P | Polyproline II helix | trans | -57.5 | 136.3 | 176.3 | 65.6 | -176.1 | -171.6 | 173.9 | 1.2 | 111.2 | C57 E118 H119 C122 C181 H182 | C57-R87 PolarHBondContact SG-NE 2.95Å; R87-E118 PolarHBondContact NH1-O 3.05Å; R87-H119 PolarHBondContact NH1-O 3.33Å; R87-H119 PolarHBondContact NH2-O 3.39Å; R87-C122 PolarHBondContact NH2-O 3.44Å; R87-C181 WeakPolarHBondContact CB-O 3.48Å; R87-H182 PolarHBondContact N-O 3.39Å; R87-H182 PolarHBondContact NE-CD2 3.44Å |
| 88 | P | 97.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | P | Polyproline II helix | trans | -63.3 | 167.1 | 163.6 | -19.7 | 32.1 | 0 | 0 | 0 | 111.9 | L73 I93 I110 S132 Y133 F138 | L73-P88 HydrophobicContact CD1-CG 4.2Å; P88-I93 HydrophobicContact CB-CD1 3.84Å; P88-I93 HydrophobicContact CB-CG1 3.89Å; P88-I110 HydrophobicContact CG-CD1 4.06Å; P88-S132 WeakPolarHBondContact O-CB 3.3Å; P88-S132 PolarHBondContact O-OG 3.09Å; P88-Y133 HydrophobicContact CB-CD1 3.86Å; P88-Y133 HydrophobicContact CB-CE1 4.27Å; P88-Y133 HydrophobicContact CB-CG 4.2Å; P88-Y133 HydrophobicContact CG-CD1 4.19Å; P88-Y133 HydrophobicContact CG-CE1 4.09Å; P88-F138 HydrophobicContact CG-CZ 4.46Å |
| 89 | S | 95.9 | Very high | 97.1 | Very high | 9 Ų | 9 | 34.3 Ų | 34.3 | 6% | 0.063 | 16% | 0.164 | C | C | . | . | trans | -138.5 | 158.1 | 161.7 | 62.7 | 0 | 0 | 0 | 0 | 109.1 | K91 I92 I93 Y124 S132 | S89-K91 PolarHBondContact O-N 2.85Å; S89-I92 PolarHBondContact O-N 3.13Å; S89-I92 WeakPolarHBondContact OG-CD1 3.35Å; S89-I92 VanDerWaalsContact OG-CG1 3.29Å; S89-I92 WeakPolarHBondContact OG-CG1 3.05Å; S89-I92 PolarHBondContact OG-N 3.46Å; S89-I93 VanDerWaalsContact O-CG1 3.31Å; S89-I93 WeakPolarHBondContact O-CG1 3.35Å; S89-I93 PolarHBondContact O-N 2.91Å; S89-Y124 WeakPolarHBondContact OG-CD2 3.5Å; S89-S132 CarbonylContact C-O 3.54Å; S89-S132 WeakPolarHBondContact CA-O 3.37Å | ||
| 90 | E | 95.2 | Very high | 97.1 | Very high | 47 Ų | 47 | 40.9 Ų | 40.9 | 22% | 0.22 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -51.9 | -46.7 | -178.8 | -156.9 | 63.9 | -147.6 | 0 | 0 | 111.5 | I92 I93 E94 S132 D134 | E90-I92 PolarHBondContact O-N 3.23Å; E90-I93 WeakPolarHBondContact O-CB 3.29Å; E90-I93 PolarHBondContact O-N 3.19Å; E90-E94 WeakPolarHBondContact O-CG 3.5Å; E90-E94 PolarHBondContact O-N 2.93Å; E90-E94 VanDerWaalsContact O-N 3.07Å; E90-S132 PolarHBondContact N-O 3.49Å; E90-D134 PolarHBondContact OE2-N 3.46Å |
| 91 | K | 94.5 | Very high | 97.2 | Very high | 103 Ų | 103 | 36.6 Ų | 36.6 | 45% | 0.448 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -62.3 | -42.7 | 177.8 | -174.9 | 171.2 | 167.9 | -155.4 | 0 | 113.3 | S89 I93 E94 E95 Y124 | S89-K91 PolarHBondContact O-N 2.85Å; K91-I93 VanDerWaalsContact C-N 3.33Å; K91-E94 PolarHBondContact O-N 3.37Å; K91-E95 WeakPolarHBondContact O-CB 3.41Å; K91-E95 PolarHBondContact O-N 3.42Å; K91-Y124 HydrophobicContact CB-CD2 4.15Å; K91-Y124 HydrophobicContact CB-CE2 4.17Å; K91-Y124 HydrophobicContact CB-CG 4.37Å; K91-Y124 HydrophobicContact CD-CD1 3.98Å; K91-Y124 HydrophobicContact CD-CE1 3.51Å; K91-Y124 HydrophobicContact CD-CE2 4.13Å; K91-Y124 HydrophobicContact CD-CG 4.48Å; K91-Y124 HydrophobicContact CG-CE2 4.37Å; K91-Y124 PolarHBondContact NZ-OH 3.44Å |
| 92 | I | 95.7 | Very high | 97.2 | Very high | 4 Ų | 4 | 35.3 Ų | 35.3 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.5 | -36.9 | 177 | -67.9 | 171.9 | 0 | 0 | 0 | 111 | C57 G72 L73 S89 E90 E94 F96 I98 Y124 | C57-I92 WeakPolarHBondContact O-CD1 3.49Å; G72-I92 WeakPolarHBondContact O-CG2 3.31Å; L73-I92 HydrophobicContact CD2-CD1 4.39Å; L73-I92 HydrophobicContact CD2-CG2 3.79Å; L73-I92 HydrophobicContact CG-CG2 4.17Å; S89-I92 PolarHBondContact O-N 3.13Å; S89-I92 WeakPolarHBondContact OG-CD1 3.35Å; S89-I92 VanDerWaalsContact OG-CG1 3.29Å; S89-I92 WeakPolarHBondContact OG-CG1 3.05Å; S89-I92 PolarHBondContact OG-N 3.46Å; E90-I92 PolarHBondContact O-N 3.23Å; I92-E94 VanDerWaalsContact C-N 3.32Å; I92-E94 PolarHBondContact O-N 2.96Å; I92-F96 HydrophobicContact CG2-CD2 3.99Å; I92-F96 PolarHBondContact O-N 3.25Å; I92-F96 VanDerWaalsContact O-N 3.08Å; I92-I98 HydrophobicContact CG2-CD1 4.21Å; I92-I98 HydrophobicContact CG2-CG1 4.15Å; I92-I98 WeakPolarHBondContact O-CG1 3.27Å; I92-Y124 HydrophobicContact CD1-CE2 4.46Å; I92-Y124 HydrophobicContact CG1-CE2 4.14Å |
| 93 | I | 97 | Very high | 97.2 | Very high | 9 Ų | 9 | 40.8 Ų | 40.8 | 5% | 0.046 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.5 | -45.3 | 178.8 | -71.8 | 167.7 | 0 | 0 | 0 | 110.7 | P88 S89 E90 K91 D97 I98 I99 Y133 F138 | P88-I93 HydrophobicContact CB-CD1 3.84Å; P88-I93 HydrophobicContact CB-CG1 3.89Å; S89-I93 VanDerWaalsContact O-CG1 3.31Å; S89-I93 WeakPolarHBondContact O-CG1 3.35Å; S89-I93 PolarHBondContact O-N 2.91Å; E90-I93 WeakPolarHBondContact O-CB 3.29Å; E90-I93 PolarHBondContact O-N 3.19Å; K91-I93 VanDerWaalsContact C-N 3.33Å; I93-D97 WeakPolarHBondContact O-CA 3.37Å; I93-D97 PolarHBondContact O-N 3Å; I93-I98 HydrophobicContact CB-CB 4.4Å; I93-I98 HydrophobicContact CG1-CB 4.17Å; I93-I98 HydrophobicContact CG1-CG1 4.32Å; I93-I98 HydrophobicContact CG2-CB 4.48Å; I93-I98 PolarHBondContact O-N 3.33Å; I93-I99 HydrophobicContact CG2-CD1 3.98Å; I93-I99 HydrophobicContact CG2-CG1 4.09Å; I93-Y133 VanDerWaalsContact CD1-CB 3.45Å; I93-Y133 HydrophobicContact CD1-CD2 4.28Å; I93-Y133 HydrophobicContact CD1-CG 4.02Å; I93-F138 HydrophobicContact CD1-CE2 3.75Å; I93-F138 HydrophobicContact CD1-CZ 4.19Å |
| 94 | E | 96.3 | Very high | 97.1 | Very high | 133 Ų | 133 | 49.9 Ų | 49.9 | 62% | 0.621 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -70.3 | -53.1 | 176.7 | -67.5 | 176.7 | 173.1 | 0 | 0 | 111.8 | E90 K91 I92 F96 D97 | E90-E94 WeakPolarHBondContact O-CG 3.5Å; E90-E94 PolarHBondContact O-N 2.93Å; E90-E94 VanDerWaalsContact O-N 3.07Å; K91-E94 PolarHBondContact O-N 3.37Å; I92-E94 VanDerWaalsContact C-N 3.32Å; I92-E94 PolarHBondContact O-N 2.96Å; E94-F96 VanDerWaalsContact C-N 3.28Å; E94-F96 PolarHBondContact O-N 2.78Å; E94-D97 PolarHBondContact O-N 3.48Å |
| 95 | E | 96.1 | Very high | 97.1 | Very high | 108 Ų | 108 | 51.4 Ų | 51.4 | 51% | 0.505 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.5 | -36.7 | -173.8 | -175.3 | 178 | 164.8 | 0 | 0 | 112.9 | K91 | K91-E95 WeakPolarHBondContact O-CB 3.41Å; K91-E95 PolarHBondContact O-N 3.42Å |
| 96 | F | 96.5 | Very high | 97 | Very high | 40 Ų | 40 | 56 Ų | 56 | 18% | 0.175 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | 12.1 | -176.3 | -64.5 | -86.5 | 0 | 0 | 0 | 114 | N71 I92 E94 I98 Q101 | N71-F96 WeakPolarHBondContact O-CB 3.48Å; I92-F96 HydrophobicContact CG2-CD2 3.99Å; I92-F96 PolarHBondContact O-N 3.25Å; I92-F96 VanDerWaalsContact O-N 3.08Å; E94-F96 VanDerWaalsContact C-N 3.28Å; E94-F96 PolarHBondContact O-N 2.78Å; F96-I98 VanDerWaalsContact C-N 3.27Å; F96-I98 HydrophobicContact CB-CD1 3.93Å; F96-I98 HydrophobicContact CB-CG1 4.32Å; F96-I98 PolarHBondContact O-N 3.32Å; F96-Q101 PolarHBondContact O-NE2 2.84Å |
| 97 | D | 97.5 | Very high | 97.1 | Very high | 95 Ų | 95 | 56.1 Ų | 56.1 | 51% | 0.508 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 44.9 | -178.8 | -81.2 | -36.5 | 0 | 0 | 0 | 112.8 | I93 E94 I99 K100 Q101 | I93-D97 WeakPolarHBondContact O-CA 3.37Å; I93-D97 PolarHBondContact O-N 3Å; E94-D97 PolarHBondContact O-N 3.48Å; D97-I99 PolarHBondContact O-N 3.23Å; D97-I99 VanDerWaalsContact O-N 3.13Å; D97-K100 HydrophobicContact CB-CB 4.04Å; D97-K100 HydrophobicContact CB-CD 4.4Å; D97-K100 WeakPolarHBondContact O-CA 3.5Å; D97-K100 WeakPolarHBondContact O-CB 3.37Å; D97-K100 PolarHBondContact O-N 3.49Å; D97-Q101 PolarHBondContact O-N 3.34Å; D97-Q101 VanDerWaalsContact O-N 3.08Å |
| 98 | I | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.9 | -40.1 | -169.4 | -63.8 | -66 | 0 | 0 | 0 | 111.7 | N71 L73 I92 I93 F96 K100 Q101 F102 F138 | N71-I98 WeakPolarHBondContact O-CD1 3.42Å; L73-I98 HydrophobicContact CD1-CD1 3.91Å; L73-I98 HydrophobicContact CD1-CG1 4.44Å; L73-I98 HydrophobicContact CD1-CG2 4.2Å; L73-I98 HydrophobicContact CG-CD1 3.99Å; I92-I98 HydrophobicContact CG2-CD1 4.21Å; I92-I98 HydrophobicContact CG2-CG1 4.15Å; I92-I98 WeakPolarHBondContact O-CG1 3.27Å; I93-I98 HydrophobicContact CB-CB 4.4Å; I93-I98 HydrophobicContact CG1-CB 4.17Å; I93-I98 HydrophobicContact CG1-CG1 4.32Å; I93-I98 HydrophobicContact CG2-CB 4.48Å; I93-I98 PolarHBondContact O-N 3.33Å; F96-I98 VanDerWaalsContact C-N 3.27Å; F96-I98 HydrophobicContact CB-CD1 3.93Å; F96-I98 HydrophobicContact CB-CG1 4.32Å; F96-I98 PolarHBondContact O-N 3.32Å; I98-K100 VanDerWaalsContact C-N 3.3Å; I98-K100 PolarHBondContact O-N 3.06Å; I98-Q101 WeakPolarHBondContact O-CB 3.41Å; I98-Q101 PolarHBondContact O-N 3.32Å; I98-Q101 VanDerWaalsContact O-N 3.13Å; I98-F102 HydrophobicContact CG2-CD2 3.72Å; I98-F102 HydrophobicContact CG2-CE2 3.49Å; I98-F102 VanDerWaalsContact CG2-CE2 3.49Å; I98-F102 VanDerWaalsContact O-CD2 3.25Å; I98-F102 WeakPolarHBondContact O-CD2 3.46Å; I98-F102 PolarHBondContact O-N 3Å; I98-F138 HydrophobicContact CG2-CZ 4.37Å |
| 99 | I | 98.2 | Very high | 97.2 | Very high | 29 Ų | 29 | 57.5 Ų | 57.5 | 15% | 0.149 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.3 | -38.3 | 178.2 | -66.6 | 169.2 | 0 | 0 | 0 | 111.6 | I93 D97 F102 K103 S137 F138 N141 I143 | I93-I99 HydrophobicContact CG2-CD1 3.98Å; I93-I99 HydrophobicContact CG2-CG1 4.09Å; D97-I99 PolarHBondContact O-N 3.23Å; D97-I99 VanDerWaalsContact O-N 3.13Å; I99-F102 WeakPolarHBondContact O-CB 3.38Å; I99-F102 PolarHBondContact O-N 2.88Å; I99-K103 PolarHBondContact O-N 3.27Å; I99-K103 VanDerWaalsContact O-N 3.09Å; I99-S137 WeakPolarHBondContact CD1-O 3.44Å; I99-F138 HydrophobicContact CG1-CD1 4.41Å; I99-F138 HydrophobicContact CG1-CE1 4.31Å; I99-N141 HydrophobicContact CG2-CB 3.61Å; I99-N141 VanDerWaalsContact CG2-CG 3.44Å; I99-I143 HydrophobicContact CG2-CD1 4.28Å |
| 100 | K | 98.2 | Very high | 97.3 | Very high | 144 Ų | 144 | 57.1 Ų | 57.1 | 63% | 0.626 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -68.2 | -38.7 | 176.5 | -170.7 | -179.9 | 178.4 | -179.7 | 0 | 110.8 | D97 I98 K103 R104 | D97-K100 HydrophobicContact CB-CB 4.04Å; D97-K100 HydrophobicContact CB-CD 4.4Å; D97-K100 WeakPolarHBondContact O-CA 3.5Å; D97-K100 WeakPolarHBondContact O-CB 3.37Å; D97-K100 PolarHBondContact O-N 3.49Å; I98-K100 VanDerWaalsContact C-N 3.3Å; I98-K100 PolarHBondContact O-N 3.06Å; K100-K103 PolarHBondContact O-N 3.08Å; K100-R104 WeakPolarHBondContact O-CB 3.32Å; K100-R104 PolarHBondContact O-N 2.97Å |
| 101 | Q | 98.3 | Very high | 97.5 | Very high | 13 Ų | 13 | 54.9 Ų | 54.9 | 6% | 0.061 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 173.5 | -61 | -169.3 | 61.3 | 0 | 0 | 111.5 | L70 N71 F96 D97 I98 K103 R104 M105 | L70-Q101 HydrophobicContact CD2-CB 3.71Å; N71-Q101 PolarHBondContact O-NE2 3.5Å; F96-Q101 PolarHBondContact O-NE2 2.84Å; D97-Q101 PolarHBondContact O-N 3.34Å; D97-Q101 VanDerWaalsContact O-N 3.08Å; I98-Q101 WeakPolarHBondContact O-CB 3.41Å; I98-Q101 PolarHBondContact O-N 3.32Å; I98-Q101 VanDerWaalsContact O-N 3.13Å; Q101-K103 PolarHBondContact O-N 3.32Å; Q101-R104 PolarHBondContact O-N 3.3Å; Q101-M105 WeakPolarHBondContact O-CB 3.37Å; Q101-M105 VanDerWaalsContact O-CG 3.25Å; Q101-M105 WeakPolarHBondContact O-CG 3.34Å; Q101-M105 PolarHBondContact O-N 3.21Å |
| 102 | F | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55.9 | -49.7 | 174.6 | -89.7 | -124.5 | 0 | 0 | 0 | 111.8 | L70 I98 I99 R104 M105 N106 I107 I110 F138 I143 A178 | L70-F102 HydrophobicContact CD1-CD2 4.17Å; L70-F102 HydrophobicContact CD1-CE2 3.47Å; L70-F102 VanDerWaalsContact CD1-CE2 3.47Å; L70-F102 HydrophobicContact CD1-CZ 4.19Å; L70-F102 HydrophobicContact CD2-CD2 3.99Å; L70-F102 HydrophobicContact CD2-CE2 4.14Å; L70-F102 HydrophobicContact CG-CE2 4.48Å; I98-F102 HydrophobicContact CG2-CD2 3.72Å; I98-F102 HydrophobicContact CG2-CE2 3.49Å; I98-F102 VanDerWaalsContact CG2-CE2 3.49Å; I98-F102 VanDerWaalsContact O-CD2 3.25Å; I98-F102 WeakPolarHBondContact O-CD2 3.46Å; I98-F102 PolarHBondContact O-N 3Å; I99-F102 WeakPolarHBondContact O-CB 3.38Å; I99-F102 PolarHBondContact O-N 2.88Å; F102-R104 PolarHBondContact O-N 2.77Å; F102-M105 PolarHBondContact O-N 3.39Å; F102-N106 PolarHBondContact O-N 3.35Å; F102-N106 VanDerWaalsContact O-N 3.09Å; F102-I107 HydrophobicContact CB-CB 4.19Å; F102-I107 HydrophobicContact CD1-CB 3.66Å; F102-I107 HydrophobicContact CD1-CD1 4.44Å; F102-I107 HydrophobicContact CD1-CG2 3.36Å; F102-I107 HydrophobicContact CD2-CD1 4.45Å; F102-I107 HydrophobicContact CE1-CB 4.28Å; F102-I107 HydrophobicContact CE1-CG2 3.53Å; F102-I107 HydrophobicContact CG-CB 4.03Å; F102-I107 HydrophobicContact CG-CD1 4.34Å; F102-I107 HydrophobicContact CG-CG2 4.19Å; F102-I107 HydrophobicContact CZ-CG2 4.48Å; F102-I107 PolarHBondContact O-N 3.16Å; F102-I110 HydrophobicContact CE1-CB 4.16Å; F102-I110 HydrophobicContact CE1-CD1 4.42Å; F102-I110 HydrophobicContact CZ-CD1 4.18Å; F102-F138 HydrophobicContact CD1-CD1 4.29Å; F102-F138 AromaticContact CD1-CE1 3.9Å; F102-F138 HydrophobicContact CD1-CE1 3.9Å; F102-F138 HydrophobicContact CD2-CE1 4.28Å; F102-F138 HydrophobicContact CE1-CD1 4.3Å; F102-F138 AromaticContact CE1-CE1 3.72Å; F102-F138 HydrophobicContact CE1-CE1 3.72Å; F102-F138 HydrophobicContact CE2-CE1 4.08Å; F102-F138 HydrophobicContact CG-CE1 4.18Å; F102-F138 AromaticContact CZ-CE1 3.81Å; F102-F138 HydrophobicContact CZ-CE1 3.81Å; F102-F138 HydrophobicContact CZ-CZ 4.31Å; F102-I143 HydrophobicContact CB-CD1 3.66Å; F102-I143 HydrophobicContact CD1-CD1 4.02Å; F102-I143 HydrophobicContact CD1-CG2 4.11Å; F102-I143 HydrophobicContact CG-CD1 4.18Å; F102-A178 HydrophobicContact CE1-CB 3.79Å; F102-A178 HydrophobicContact CZ-CB 3.7Å |
| 103 | K | 97.8 | Very high | 97.6 | Very high | 116 Ų | 116 | 49.8 Ų | 49.8 | 50% | 0.504 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.2 | -46.5 | 177.1 | -70.8 | -177.8 | -176.2 | 176.1 | 0 | 111.8 | I99 K100 Q101 M105 N106 N141 | I99-K103 PolarHBondContact O-N 3.27Å; I99-K103 VanDerWaalsContact O-N 3.09Å; K100-K103 PolarHBondContact O-N 3.08Å; Q101-K103 PolarHBondContact O-N 3.32Å; K103-M105 PolarHBondContact O-N 2.73Å; K103-N106 PolarHBondContact O-N 3.35Å; K103-N106 VanDerWaalsContact O-N 3.15Å; K103-N141 WeakPolarHBondContact CE-OD1 3.41Å; K103-N141 PolarHBondContact NZ-OD1 2.8Å |
| 104 | R | 97.7 | Very high | 97.4 | Very high | 190 Ų | 190 | 49.5 Ų | 49.5 | 72% | 0.717 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -58.6 | -37.4 | 177.9 | -179 | 178 | 65.5 | 179.5 | -0.5 | 112.2 | K100 Q101 F102 N106 | K100-R104 WeakPolarHBondContact O-CB 3.32Å; K100-R104 PolarHBondContact O-N 2.97Å; Q101-R104 PolarHBondContact O-N 3.3Å; F102-R104 PolarHBondContact O-N 2.77Å; R104-N106 VanDerWaalsContact C-N 3.34Å |
| 105 | M | 97.2 | Very high | 97.1 | Very high | 34 Ų | 34 | 44.8 Ų | 44.8 | 17% | 0.167 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -88.3 | -1.3 | -177.7 | -63.5 | 173.3 | 94 | 0 | 0 | 113.7 | H69 L70 W77 Q101 F102 K103 I107 K176 | H69-M105 WeakPolarHBondContact O-CE 3.43Å; L70-M105 HydrophobicContact CD2-SD 3.55Å; L70-M105 VanDerWaalsContact CD2-SD 3.55Å; L70-M105 HydrophobicContact CG-SD 4.34Å; W77-M105 HydrophobicContact CZ2-CE 3.62Å; Q101-M105 WeakPolarHBondContact O-CB 3.37Å; Q101-M105 VanDerWaalsContact O-CG 3.25Å; Q101-M105 WeakPolarHBondContact O-CG 3.34Å; Q101-M105 PolarHBondContact O-N 3.21Å; F102-M105 PolarHBondContact O-N 3.39Å; K103-M105 PolarHBondContact O-N 2.73Å; M105-I107 VanDerWaalsContact C-N 3.35Å; M105-I107 HydrophobicContact CB-CD1 4.12Å; M105-I107 HydrophobicContact CB-CG1 4.01Å; M105-I107 HydrophobicContact SD-CD1 4.32Å; M105-K176 WeakPolarHBondContact O-CD 3.33Å; M105-K176 PolarHBondContact O-NZ 2.96Å |
| 106 | N | 97 | Very high | 96.9 | Very high | 95 Ų | 95 | 42.8 Ų | 42.8 | 51% | 0.508 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 40.4 | -173.5 | -163.6 | 37.6 | 0 | 0 | 0 | 113.3 | F102 K103 R104 K176 | F102-N106 PolarHBondContact O-N 3.35Å; F102-N106 VanDerWaalsContact O-N 3.09Å; K103-N106 PolarHBondContact O-N 3.35Å; K103-N106 VanDerWaalsContact O-N 3.15Å; R104-N106 VanDerWaalsContact C-N 3.34Å; N106-K176 WeakPolarHBondContact O-CB 3.41Å; N106-K176 PolarHBondContact O-N 3.39Å |
| 107 | I | 98.5 | Very high | 96.6 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.015 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 109.5 | 172.1 | -57.4 | 173.2 | 0 | 0 | 0 | 108.3 | W77 L83 F102 M105 K176 A178 | W77-I107 HydrophobicContact CH2-CD1 4.04Å; W77-I107 HydrophobicContact CH2-CG1 3.97Å; W77-I107 HydrophobicContact CZ2-CD1 4.19Å; W77-I107 HydrophobicContact CZ2-CG1 4.44Å; L83-I107 HydrophobicContact CD2-CD1 3.91Å; F102-I107 HydrophobicContact CB-CB 4.19Å; F102-I107 HydrophobicContact CD1-CB 3.66Å; F102-I107 HydrophobicContact CD1-CD1 4.44Å; F102-I107 HydrophobicContact CD1-CG2 3.36Å; F102-I107 HydrophobicContact CD2-CD1 4.45Å; F102-I107 HydrophobicContact CE1-CB 4.28Å; F102-I107 HydrophobicContact CE1-CG2 3.53Å; F102-I107 HydrophobicContact CG-CB 4.03Å; F102-I107 HydrophobicContact CG-CD1 4.34Å; F102-I107 HydrophobicContact CG-CG2 4.19Å; F102-I107 HydrophobicContact CZ-CG2 4.48Å; F102-I107 PolarHBondContact O-N 3.16Å; M105-I107 VanDerWaalsContact C-N 3.35Å; M105-I107 HydrophobicContact CB-CD1 4.12Å; M105-I107 HydrophobicContact CB-CG1 4.01Å; M105-I107 HydrophobicContact SD-CD1 4.32Å; I107-K176 CarbonylContact C-O 3.52Å; I107-K176 VanDerWaalsContact CA-O 3.31Å; I107-K176 WeakPolarHBondContact CA-O 3.5Å; I107-K176 HydrophobicContact CG1-CB 4.19Å; I107-A178 HydrophobicContact CG2-CB 4.07Å |
| 108 | C | 98.1 | Very high | 96.2 | Very high | 33 Ų | 33 | 38 Ų | 38 | 22% | 0.223 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | -10.9 | -174 | -63.9 | 0 | 0 | 0 | 0 | 113.1 | S144 K176 | C108-S144 PolarHBondContact O-N 3.06Å; C108-K176 PolarHBondContact N-O 2.92Å |
| 109 | S | 98.5 | Very high | 95.7 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 145.3 | -178.6 | -56.9 | 0 | 0 | 0 | 0 | 112.8 | S144 I177 A178 | S109-S144 CarbonylContact C-O 3.34Å; S109-S144 WeakPolarHBondContact CA-O 3.34Å; S109-I177 CarbonylContact O-C 3.54Å; S109-I177 WeakPolarHBondContact O-CA 3.41Å; S109-A178 PolarHBondContact O-N 3.22Å |
| 110 | I | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 130 | 170.9 | -174.1 | 167.1 | 0 | 0 | 0 | 109.6 | P88 F102 Y133 F138 I143 S144 F145 Y146 A178 | P88-I110 HydrophobicContact CG-CD1 4.06Å; F102-I110 HydrophobicContact CE1-CB 4.16Å; F102-I110 HydrophobicContact CE1-CD1 4.42Å; F102-I110 HydrophobicContact CZ-CD1 4.18Å; I110-Y133 HydrophobicContact CD1-CE2 4.43Å; I110-F138 HydrophobicContact CD1-CE1 4.25Å; I110-F138 HydrophobicContact CD1-CE2 4.09Å; I110-F138 HydrophobicContact CD1-CZ 3.89Å; I110-F138 HydrophobicContact CG2-CB 4.35Å; I110-F138 HydrophobicContact CG2-CD1 4.27Å; I110-F138 HydrophobicContact CG2-CD2 4.44Å; I110-F138 HydrophobicContact CG2-CG 4.1Å; I110-I143 HydrophobicContact CG2-CG2 4.4Å; I110-S144 PolarHBondContact N-O 3.02Å; I110-F145 HydrophobicContact CG2-CB 4.24Å; I110-F145 HydrophobicContact CG2-CD2 3.89Å; I110-Y146 PolarHBondContact O-N 2.7Å; I110-A178 CarbonylContact C-O 3.56Å; I110-A178 WeakPolarHBondContact CA-O 3.34Å |
| 111 | F | 98.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 106.3 | -179.6 | -76.1 | -103.4 | 0 | 0 | 0 | 109 | M113 Y146 F148 V167 I168 A171 I177 A178 V179 H180 | F111-M113 HydrophobicContact CB-CE 3.63Å; F111-M113 HydrophobicContact CD1-CE 4.35Å; F111-Y146 CarbonylContact C-O 3.57Å; F111-Y146 WeakPolarHBondContact CA-O 3.41Å; F111-Y146 HydrophobicContact CD1-CD2 4.31Å; F111-Y146 HydrophobicContact CD1-CG 4.27Å; F111-Y146 HydrophobicContact CD2-CD2 4.18Å; F111-Y146 AromaticContact CE1-CD2 3.88Å; F111-Y146 HydrophobicContact CE1-CD2 3.88Å; F111-Y146 AromaticContact CE1-CG 3.92Å; F111-Y146 HydrophobicContact CE1-CG 3.92Å; F111-Y146 AromaticContact CE2-CD2 3.72Å; F111-Y146 HydrophobicContact CE2-CD2 3.72Å; F111-Y146 HydrophobicContact CE2-CE2 4.19Å; F111-Y146 HydrophobicContact CG-CD2 4.45Å; F111-Y146 AromaticContact CZ-CD2 3.56Å; F111-Y146 HydrophobicContact CZ-CD2 3.56Å; F111-Y146 AromaticContact CZ-CE2 3.99Å; F111-Y146 HydrophobicContact CZ-CE2 3.99Å; F111-Y146 HydrophobicContact CZ-CG 4.07Å; F111-F148 HydrophobicContact CD1-CD2 4.03Å; F111-F148 HydrophobicContact CD1-CE2 4.27Å; F111-F148 HydrophobicContact CE1-CD2 4.31Å; F111-F148 HydrophobicContact CE1-CE2 4.08Å; F111-V167 HydrophobicContact CE1-CB 4.47Å; F111-V167 HydrophobicContact CE1-CG1 3.9Å; F111-V167 HydrophobicContact CZ-CG1 4.06Å; F111-I168 HydrophobicContact CD1-CG1 3.94Å; F111-I168 HydrophobicContact CE1-CG1 3.54Å; F111-I168 HydrophobicContact CE2-CG1 4.37Å; F111-I168 HydrophobicContact CZ-CB 4.48Å; F111-I168 HydrophobicContact CZ-CG1 3.78Å; F111-A171 HydrophobicContact CE2-CB 3.73Å; F111-A171 HydrophobicContact CZ-CB 3.64Å; F111-I177 HydrophobicContact CD2-CB 4.16Å; F111-I177 HydrophobicContact CD2-CD1 4.08Å; F111-I177 HydrophobicContact CE2-CB 4.05Å; F111-I177 HydrophobicContact CE2-CD1 3.97Å; F111-I177 HydrophobicContact CE2-CG2 3.94Å; F111-A178 PolarHBondContact N-O 3Å; F111-V179 HydrophobicContact CB-CB 4.36Å; F111-V179 HydrophobicContact CB-CG1 4.16Å; F111-V179 HydrophobicContact CB-CG2 4.13Å; F111-H180 PolarHBondContact O-N 3.45Å |
| 112 | N | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 122.4 | 173.8 | 173.8 | 40.1 | 0 | 0 | 0 | 110.1 | Q114 F131 F145 Y146 N147 F148 H180 | N112-Q114 PolarHBondContact ND2-O 3Å; N112-Q114 VanDerWaalsContact OD1-CB 3.27Å; N112-Q114 WeakPolarHBondContact OD1-CB 3.36Å; N112-Q114 WeakPolarHBondContact OD1-CG 3.49Å; N112-Q114 PolarHBondContact OD1-N 3.47Å; N112-F131 VanDerWaalsContact ND2-CE1 3.29Å; N112-F131 WeakPolarHBondContact ND2-CE1 3.47Å; N112-F145 HydrophobicContact CB-CE2 3.68Å; N112-F145 HydrophobicContact CB-CZ 3.93Å; N112-Y146 PolarHBondContact N-O 3.14Å; N112-N147 PolarHBondContact ND2-OD1 2.97Å; N112-N147 WeakPolarHBondContact O-CA 3.35Å; N112-N147 PolarHBondContact O-OD1 3.2Å; N112-F148 PolarHBondContact O-N 2.89Å; N112-H180 WeakPolarHBondContact CB-NE2 3.29Å; N112-H180 PolarHBondContact OD1-CE1 3.43Å |
| 113 | M | 95.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -95.9 | 3 | 175.4 | -54 | -66.1 | 104.2 | 0 | 0 | 113.1 | F111 F148 W150 V179 H180 C181 R187 I191 | F111-M113 HydrophobicContact CB-CE 3.63Å; F111-M113 HydrophobicContact CD1-CE 4.35Å; M113-F148 WeakPolarHBondContact CA-O 3.41Å; M113-F148 HydrophobicContact CE-CB 3.84Å; M113-F148 HydrophobicContact SD-CB 4.26Å; M113-W150 HydrophobicContact CB-CZ3 4.31Å; M113-W150 HydrophobicContact CG-CZ3 4.47Å; M113-W150 HydrophobicContact SD-CH2 4.1Å; M113-W150 HydrophobicContact SD-CZ3 3.77Å; M113-V179 HydrophobicContact CE-CG1 4.16Å; M113-V179 HydrophobicContact CG-CG1 4.16Å; M113-V179 HydrophobicContact SD-CG1 4.39Å; M113-H180 VanDerWaalsContact CB-O 3.3Å; M113-H180 WeakPolarHBondContact CB-O 3.41Å; M113-H180 VanDerWaalsContact CG-O 3.24Å; M113-H180 WeakPolarHBondContact CG-O 3.47Å; M113-H180 PolarHBondContact N-O 2.96Å; M113-C181 HydrophobicContact CB-CB 3.97Å; M113-R187 HydrophobicContact CB-CB 4.18Å; M113-R187 PolarHBondContact O-NH1 3.28Å; M113-I191 HydrophobicContact SD-CB 4.41Å; M113-I191 HydrophobicContact SD-CG1 3.97Å; M113-I191 HydrophobicContact SD-CG2 4.49Å | ||
| 114 | Q | 92.7 | Very high | 93.8 | Very high | 4 Ų | 4 | 34.8 Ų | 34.8 | 2% | 0.019 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -94.2 | 145.4 | -174.1 | -55.1 | -169.8 | -95.8 | 0 | 0 | 113.3 | N112 E118 N147 S149 C181 | N112-Q114 PolarHBondContact ND2-O 3Å; N112-Q114 VanDerWaalsContact OD1-CB 3.27Å; N112-Q114 WeakPolarHBondContact OD1-CB 3.36Å; N112-Q114 WeakPolarHBondContact OD1-CG 3.49Å; N112-Q114 PolarHBondContact OD1-N 3.47Å; Q114-E118 WeakPolarHBondContact CA-OE2 3.46Å; Q114-E118 HydrophobicContact CB-CB 4.32Å; Q114-E118 WeakPolarHBondContact CB-OE2 3.31Å; Q114-E118 PolarHBondContact NE2-OE1 3.18Å; Q114-N147 PolarHBondContact O-OD1 3.29Å; Q114-S149 VanDerWaalsContact C-CB 3.43Å; Q114-S149 VanDerWaalsContact O-CB 3.24Å; Q114-S149 WeakPolarHBondContact O-CB 3.48Å; Q114-C181 VanDerWaalsContact CD-C 3.47Å; Q114-C181 VanDerWaalsContact CG-C 3.47Å; Q114-C181 HydrophobicContact CG-CB 4.45Å; Q114-C181 PolarHBondContact OE1-O 3.01Å |
| 115 | T | 90.9 | Very high | 93.6 | Very high | 34 Ų | 34 | 26.5 Ų | 26.5 | 21% | 0.209 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -72.8 | 159 | 167.6 | 52.5 | 0 | 0 | 0 | 0 | 110.8 | E118 | T115-E118 PolarHBondContact N-OE2 3.23Å; T115-E118 WeakPolarHBondContact O-CB 3.32Å; T115-E118 PolarHBondContact O-N 3.31Å; T115-E118 PolarHBondContact OG1-OE2 3.34Å |
| 116 | A | 91.8 | Very high | 93.4 | Very high | 65 Ų | 65 | 27.1 Ų | 27.1 | 54% | 0.537 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | 136.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110 | E118 F131 | A116-E118 VanDerWaalsContact C-N 3.28Å; A116-F131 HydrophobicContact CB-CE1 4.22Å; A116-F131 HydrophobicContact CB-CZ 3.99Å |
| 117 | G | 90.3 | Very high | 93.3 | Very high | 34 Ų | 34 | 25.7 Ų | 25.7 | 35% | 0.351 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | -5.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | S120 G130 | G117-S120 WeakPolarHBondContact O-CB 3.19Å; G117-S120 PolarHBondContact O-N 3.35Å; G117-G130 PolarHBondContact N-O 2.92Å |
| 118 | E | 87.9 | Confident | 92.9 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.009 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 133.6 | -177.2 | -155.6 | -160.8 | 103.9 | 0 | 0 | 111.7 | E41 R87 Q114 T115 A116 S120 R187 | E41-E118 WeakPolarHBondContact OE1-CG 3.25Å; R87-E118 PolarHBondContact NH1-O 3.05Å; Q114-E118 WeakPolarHBondContact CA-OE2 3.46Å; Q114-E118 HydrophobicContact CB-CB 4.32Å; Q114-E118 WeakPolarHBondContact CB-OE2 3.31Å; Q114-E118 PolarHBondContact NE2-OE1 3.18Å; T115-E118 PolarHBondContact N-OE2 3.23Å; T115-E118 WeakPolarHBondContact O-CB 3.32Å; T115-E118 PolarHBondContact O-N 3.31Å; T115-E118 PolarHBondContact OG1-OE2 3.34Å; A116-E118 VanDerWaalsContact C-N 3.28Å; E118-S120 VanDerWaalsContact C-N 3.3Å; E118-S120 PolarHBondContact O-N 3.47Å; E118-R187 IonicContact OE1-CZ 3.06Å; E118-R187 IonicContact OE1-NH1 3.81Å; E118-R187 IonicContact OE1-NH2 2.95Å; E118-R187 PolarHBondContact OE1-NH2 2.74Å; E118-R187 IonicContact OE2-CZ 3.06Å; E118-R187 VanDerWaalsContact OE2-CZ 3.32Å; E118-R187 IonicContact OE2-NH1 3.99Å; E118-R187 PolarHBondContact OE2-NH1 2.97Å; E118-R187 IonicContact OE2-NH2 3.43Å; E118-R187 PolarHBondContact OE2-NH2 3.34Å; E118-R187 VanDerWaalsContact OE2-NH2 3.13Å |
| 119 | H | 87.5 | Confident | 92.6 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 3% | 0.032 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 44.1 | -177.1 | -67.4 | -93.6 | 0 | 0 | 0 | 113.9 | C45 R87 S121 C122 D152 H182 | C45-H119 WeakPolarHBondContact SG-CA 3.48Å; C45-H119 PolarHBondContact SG-ND1 3.41Å; R87-H119 PolarHBondContact NH1-O 3.33Å; R87-H119 PolarHBondContact NH2-O 3.39Å; H119-S121 PolarHBondContact O-N 2.87Å; H119-C122 HydrophobicContact CB-CB 4.06Å; H119-C122 PolarHBondContact O-N 3.29Å; H119-C122 VanDerWaalsContact O-N 3.13Å; H119-D152 IonicContact CE1-OD2 3.81Å; H119-D152 IonicContact NE2-OD2 3Å; H119-D152 PolarHBondContact NE2-OD2 2.91Å; H119-H182 AromaticContact CD2-CD2 3.96Å; H119-H182 AromaticContact CD2-CG 3.75Å; H119-H182 AromaticContact CE1-CG 3.94Å; H119-H182 AromaticContact CE1-ND1 3.74Å; H119-H182 AromaticContact CG-CD2 3.65Å; H119-H182 AromaticContact CG-CG 3.83Å; H119-H182 AromaticContact CG-NE2 3.99Å; H119-H182 AromaticContact ND1-CD2 3.91Å; H119-H182 AromaticContact ND1-CE1 3.76Å; H119-H182 AromaticContact ND1-CG 3.91Å; H119-H182 AromaticContact ND1-ND1 3.82Å; H119-H182 AromaticContact ND1-NE2 3.85Å; H119-H182 AromaticContact NE2-CG 3.85Å |
| 120 | S | 89.5 | Confident | 92.3 | Very high | 52 Ų | 52 | 33.9 Ų | 33.9 | 36% | 0.364 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -21.5 | -177 | 60.7 | 0 | 0 | 0 | 0 | 115.5 | G117 E118 G125 | G117-S120 WeakPolarHBondContact O-CB 3.19Å; G117-S120 PolarHBondContact O-N 3.35Å; E118-S120 VanDerWaalsContact C-N 3.3Å; E118-S120 PolarHBondContact O-N 3.47Å; S120-G125 WeakPolarHBondContact O-CA 3.47Å |
| 121 | S | 89.2 | Confident | 92.1 | Very high | 56 Ų | 56 | 35.1 Ų | 35.1 | 39% | 0.392 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 2.6 | 178.9 | -55.4 | 0 | 0 | 0 | 0 | 113.7 | G51 S52 H119 | G51-S121 CarbonylContact C-O 3.54Å; G51-S121 WeakPolarHBondContact CA-O 3.31Å; S52-S121 PolarHBondContact N-O 3Å; H119-S121 PolarHBondContact O-N 2.87Å |
| 122 | C | 90.3 | Very high | 92 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -90.7 | 135.1 | -178.7 | -77.8 | 0 | 0 | 0 | 0 | 111.7 | C45 C49 G51 C54 R87 H119 Y124 G125 | C45-C122 VanDerWaalsContact CB-SG 3.53Å; C49-C122 VanDerWaalsContact CB-SG 3.55Å; G51-C122 VanDerWaalsContact O-CA 3.31Å; G51-C122 WeakPolarHBondContact O-CA 3.48Å; C54-C122 HydrophobicContact CB-CB 4.28Å; R87-C122 PolarHBondContact NH2-O 3.44Å; H119-C122 HydrophobicContact CB-CB 4.06Å; H119-C122 PolarHBondContact O-N 3.29Å; H119-C122 VanDerWaalsContact O-N 3.13Å; C122-Y124 PolarHBondContact O-N 2.94Å; C122-G125 PolarHBondContact O-N 2.99Å; C122-G125 VanDerWaalsContact O-N 3.08Å |
| 123 | G | 91.2 | Very high | 91.9 | Very high | 12 Ų | 12 | 35.4 Ų | 35.4 | 12% | 0.124 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59 | -125.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G51 S52 G125 | G51-G123 PolarHBondContact O-N 3.27Å; S52-G123 WeakPolarHBondContact O-CA 3.23Å; G123-G125 PolarHBondContact O-N 3.37Å |
| 124 | Y | 92.3 | Very high | 92 | Very high | 107 Ų | 107 | 37.6 Ų | 37.6 | 42% | 0.42 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 3.3 | 178 | -56 | -65.9 | 0 | 0 | 0 | 114.3 | S89 K91 I92 C122 | S89-Y124 WeakPolarHBondContact OG-CD2 3.5Å; K91-Y124 HydrophobicContact CB-CD2 4.15Å; K91-Y124 HydrophobicContact CB-CE2 4.17Å; K91-Y124 HydrophobicContact CB-CG 4.37Å; K91-Y124 HydrophobicContact CD-CD1 3.98Å; K91-Y124 HydrophobicContact CD-CE1 3.51Å; K91-Y124 HydrophobicContact CD-CE2 4.13Å; K91-Y124 HydrophobicContact CD-CG 4.48Å; K91-Y124 HydrophobicContact CG-CE2 4.37Å; K91-Y124 PolarHBondContact NZ-OH 3.44Å; I92-Y124 HydrophobicContact CD1-CE2 4.46Å; I92-Y124 HydrophobicContact CG1-CE2 4.14Å; C122-Y124 PolarHBondContact O-N 2.94Å |
| 125 | G | 92.3 | Very high | 92.1 | Very high | 15 Ų | 15 | 38.2 Ų | 38.2 | 16% | 0.155 | 25% | 0.25 | C | S | . | . | trans | 80.3 | -155.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S120 C122 G123 | S120-G125 WeakPolarHBondContact O-CA 3.47Å; C122-G125 PolarHBondContact O-N 2.99Å; C122-G125 VanDerWaalsContact O-N 3.08Å; G123-G125 PolarHBondContact O-N 3.37Å | ||
| 126 | V | 93.4 | Very high | 92.4 | Very high | 47 Ų | 47 | 40.9 Ų | 40.9 | 29% | 0.285 | 26% | 0.263 | S | S | . | . | trans | -124.3 | 147.6 | 179.7 | -67.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 127 | L | 94.7 | Very high | 92.6 | Very high | 66 Ų | 66 | 38.8 Ų | 38.8 | 35% | 0.346 | 24% | 0.244 | S | C | . | . | trans | -72.8 | 174.3 | 174.6 | -56.2 | 179.2 | 0 | 0 | 0 | 110.9 | S129 G130 F131 D134 | L127-S129 PolarHBondContact O-N 2.94Å; L127-G130 WeakPolarHBondContact O-CA 3.3Å; L127-G130 PolarHBondContact O-N 3.48Å; L127-F131 WeakPolarHBondContact CB-O 3.47Å; L127-F131 WeakPolarHBondContact CG-O 3.46Å; L127-F131 PolarHBondContact N-O 3.39Å; L127-D134 HydrophobicContact CD1-CB 4.27Å | ||
| 128 | S | 91.1 | Very high | 92.9 | Very high | 140 Ų | 140 | 37.2 Ų | 37.2 | 98% | 0.979 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | -25.1 | 173.8 | 55.1 | 0 | 0 | 0 | 0 | 113.6 | G130 | S128-G130 PolarHBondContact O-N 3.48Š|
| 129 | S | 90.2 | Very high | 93.4 | Very high | 56 Ų | 56 | 41.8 Ų | 41.8 | 39% | 0.392 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -13.3 | 172.4 | 64.1 | 0 | 0 | 0 | 0 | 113.7 | L127 F131 | L127-S129 PolarHBondContact O-N 2.94Å; S129-F131 VanDerWaalsContact C-N 3.33Å; S129-F131 PolarHBondContact OG-N 3.2Å |
| 130 | G | 92.8 | Very high | 93.8 | Very high | 14 Ų | 14 | 49.1 Ų | 49.1 | 14% | 0.144 | 28% | 0.282 | C | S | . | . | S | Bend | trans | 86.8 | -5.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | G117 L127 S128 | G117-G130 PolarHBondContact N-O 2.92Å; L127-G130 WeakPolarHBondContact O-CA 3.3Å; L127-G130 PolarHBondContact O-N 3.48Å; S128-G130 PolarHBondContact O-N 3.48Å |
| 131 | F | 95.4 | Very high | 94.2 | Very high | 26 Ų | 26 | 49.1 Ų | 49.1 | 11% | 0.114 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -103.6 | 161 | 175.4 | -60.9 | -61.7 | 0 | 0 | 0 | 111.8 | N112 A116 L127 S129 Y133 P135 N147 | N112-F131 VanDerWaalsContact ND2-CE1 3.29Å; N112-F131 WeakPolarHBondContact ND2-CE1 3.47Å; A116-F131 HydrophobicContact CB-CE1 4.22Å; A116-F131 HydrophobicContact CB-CZ 3.99Å; L127-F131 WeakPolarHBondContact CB-O 3.47Å; L127-F131 WeakPolarHBondContact CG-O 3.46Å; L127-F131 PolarHBondContact N-O 3.39Å; S129-F131 VanDerWaalsContact C-N 3.33Å; S129-F131 PolarHBondContact OG-N 3.2Å; F131-Y133 WeakPolarHBondContact CB-O 3.32Å; F131-Y133 PolarHBondContact O-N 3.28Å; F131-P135 HydrophobicContact CD2-CG 4.14Å; F131-N147 WeakPolarHBondContact CZ-ND2 3.44Å |
| 132 | S | 95 | Very high | 94.6 | Very high | 6 Ų | 6 | 53.6 Ų | 53.6 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -74.3 | -12.1 | 178.3 | 40.8 | 0 | 0 | 0 | 0 | 113.6 | P88 S89 E90 | P88-S132 WeakPolarHBondContact O-CB 3.3Å; P88-S132 PolarHBondContact O-OG 3.09Å; S89-S132 CarbonylContact C-O 3.54Å; S89-S132 WeakPolarHBondContact CA-O 3.37Å; E90-S132 PolarHBondContact N-O 3.49Å |
| 133 | Y | 96.9 | Very high | 95 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 0% | 0.004 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -144.1 | 158.1 | 177.2 | 62.7 | -86.7 | 0 | 0 | 0 | 109.6 | P88 I93 I110 F131 P135 F138 F145 H180 | P88-Y133 HydrophobicContact CB-CD1 3.86Å; P88-Y133 HydrophobicContact CB-CE1 4.27Å; P88-Y133 HydrophobicContact CB-CG 4.2Å; P88-Y133 HydrophobicContact CG-CD1 4.19Å; P88-Y133 HydrophobicContact CG-CE1 4.09Å; I93-Y133 VanDerWaalsContact CD1-CB 3.45Å; I93-Y133 HydrophobicContact CD1-CD2 4.28Å; I93-Y133 HydrophobicContact CD1-CG 4.02Å; I110-Y133 HydrophobicContact CD1-CE2 4.43Å; F131-Y133 WeakPolarHBondContact CB-O 3.32Å; F131-Y133 PolarHBondContact O-N 3.28Å; Y133-P135 VanDerWaalsContact O-CD 3.3Å; Y133-P135 WeakPolarHBondContact O-CD 3.48Å; Y133-F138 AromaticContact CD2-CD2 3.95Å; Y133-F138 HydrophobicContact CD2-CD2 3.95Å; Y133-F138 AromaticContact CD2-CE2 3.69Å; Y133-F138 HydrophobicContact CD2-CE2 3.69Å; Y133-F138 AromaticContact CE2-CD2 3.85Å; Y133-F138 HydrophobicContact CE2-CD2 3.85Å; Y133-F138 AromaticContact CE2-CE2 3.73Å; Y133-F138 HydrophobicContact CE2-CE2 3.73Å; Y133-F145 HydrophobicContact CE2-CD2 4.36Å; Y133-F145 HydrophobicContact CE2-CE2 4.14Å; Y133-F145 WeakPolarHBondContact OH-CE2 3.38Å; Y133-H180 AromaticContact CE1-CE1 3.72Å; Y133-H180 AromaticContact CE1-NE2 3.59Å; Y133-H180 AromaticContact CZ-NE2 3.55Å; Y133-H180 PolarHBondContact OH-NE2 3.29Å |
| 134 | D | 96.3 | Very high | 95.3 | Very high | 46 Ų | 46 | 55.8 Ų | 55.8 | 25% | 0.246 | 31% | 0.31 | C | S | . | . | trans | -80.2 | 115.8 | 173 | -177.3 | 6.1 | 0 | 0 | 0 | 111.1 | E90 L127 L136 S137 | E90-D134 PolarHBondContact OE2-N 3.46Å; L127-D134 HydrophobicContact CD1-CB 4.27Å; D134-L136 PolarHBondContact O-N 3.41Å; D134-L136 VanDerWaalsContact O-N 3.15Å; D134-L136 WeakPolarHBondContact OD1-CB 3.4Å; D134-L136 WeakPolarHBondContact OD1-CG 3.33Å; D134-L136 PolarHBondContact OD1-N 3.36Å; D134-S137 WeakPolarHBondContact O-CB 3.49Å; D134-S137 PolarHBondContact O-N 2.72Å; D134-S137 VanDerWaalsContact O-N 3.08Å | ||
| 135 | P | 95.9 | Very high | 95.5 | Very high | 17 Ų | 17 | 52.7 Ų | 52.7 | 11% | 0.11 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -55.3 | -29.6 | 173.9 | -27.4 | 38 | 0 | 0 | 0 | 113.8 | F131 Y133 S137 F138 M139 F145 | F131-P135 HydrophobicContact CD2-CG 4.14Å; Y133-P135 VanDerWaalsContact O-CD 3.3Å; Y133-P135 WeakPolarHBondContact O-CD 3.48Å; P135-S137 PolarHBondContact O-N 3.33Å; P135-F138 PolarHBondContact O-N 2.87Å; P135-M139 WeakPolarHBondContact O-CG 3.46Å; P135-M139 PolarHBondContact O-N 3.19Å; P135-F145 HydrophobicContact CB-CB 4.32Å; P135-F145 HydrophobicContact CB-CD1 3.75Å; P135-F145 HydrophobicContact CB-CD2 3.78Å; P135-F145 HydrophobicContact CB-CE1 3.88Å; P135-F145 HydrophobicContact CB-CE2 3.93Å; P135-F145 HydrophobicContact CB-CG 3.69Å; P135-F145 HydrophobicContact CB-CZ 3.98Å; P135-F145 HydrophobicContact CG-CD1 4.31Å; P135-F145 HydrophobicContact CG-CD2 4.24Å; P135-F145 HydrophobicContact CG-CE1 3.91Å; P135-F145 HydrophobicContact CG-CE2 3.86Å; P135-F145 HydrophobicContact CG-CG 4.46Å; P135-F145 HydrophobicContact CG-CZ 3.68Å |
| 136 | L | 96.1 | Very high | 95.8 | Very high | 90 Ų | 90 | 54.8 Ų | 54.8 | 47% | 0.471 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.9 | -26.7 | 179.7 | -60 | 175.3 | 0 | 0 | 0 | 112.3 | D134 F138 M139 K140 | D134-L136 PolarHBondContact O-N 3.41Å; D134-L136 VanDerWaalsContact O-N 3.15Å; D134-L136 WeakPolarHBondContact OD1-CB 3.4Å; D134-L136 WeakPolarHBondContact OD1-CG 3.33Å; D134-L136 PolarHBondContact OD1-N 3.36Å; L136-F138 VanDerWaalsContact C-N 3.28Å; L136-F138 PolarHBondContact O-N 3.41Å; L136-M139 HydrophobicContact CD2-SD 4.13Å; L136-M139 PolarHBondContact O-N 2.88Å; L136-K140 WeakPolarHBondContact O-CB 3.35Å; L136-K140 VanDerWaalsContact O-CG 3.26Å; L136-K140 WeakPolarHBondContact O-CG 3.45Å; L136-K140 PolarHBondContact O-N 3.27Å |
| 137 | S | 95.6 | Very high | 95.9 | Very high | 21 Ų | 21 | 55.5 Ų | 55.5 | 15% | 0.147 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61 | -37.9 | 175.5 | -63.9 | 0 | 0 | 0 | 0 | 111.6 | I99 D134 P135 N141 | I99-S137 WeakPolarHBondContact CD1-O 3.44Å; D134-S137 WeakPolarHBondContact O-CB 3.49Å; D134-S137 PolarHBondContact O-N 2.72Å; D134-S137 VanDerWaalsContact O-N 3.08Å; P135-S137 PolarHBondContact O-N 3.33Å; S137-N141 PolarHBondContact O-ND2 3.23Å |
| 138 | F | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -73.9 | -45.3 | 172.9 | -75 | -84.5 | 0 | 0 | 0 | 112.1 | P88 I93 I98 I99 F102 I110 Y133 P135 L136 K140 N141 I143 | P88-F138 HydrophobicContact CG-CZ 4.46Å; I93-F138 HydrophobicContact CD1-CE2 3.75Å; I93-F138 HydrophobicContact CD1-CZ 4.19Å; I98-F138 HydrophobicContact CG2-CZ 4.37Å; I99-F138 HydrophobicContact CG1-CD1 4.41Å; I99-F138 HydrophobicContact CG1-CE1 4.31Å; F102-F138 HydrophobicContact CD1-CD1 4.29Å; F102-F138 AromaticContact CD1-CE1 3.9Å; F102-F138 HydrophobicContact CD1-CE1 3.9Å; F102-F138 HydrophobicContact CD2-CE1 4.28Å; F102-F138 HydrophobicContact CE1-CD1 4.3Å; F102-F138 AromaticContact CE1-CE1 3.72Å; F102-F138 HydrophobicContact CE1-CE1 3.72Å; F102-F138 HydrophobicContact CE2-CE1 4.08Å; F102-F138 HydrophobicContact CG-CE1 4.18Å; F102-F138 AromaticContact CZ-CE1 3.81Å; F102-F138 HydrophobicContact CZ-CE1 3.81Å; F102-F138 HydrophobicContact CZ-CZ 4.31Å; I110-F138 HydrophobicContact CD1-CE1 4.25Å; I110-F138 HydrophobicContact CD1-CE2 4.09Å; I110-F138 HydrophobicContact CD1-CZ 3.89Å; I110-F138 HydrophobicContact CG2-CB 4.35Å; I110-F138 HydrophobicContact CG2-CD1 4.27Å; I110-F138 HydrophobicContact CG2-CD2 4.44Å; I110-F138 HydrophobicContact CG2-CG 4.1Å; Y133-F138 AromaticContact CD2-CD2 3.95Å; Y133-F138 HydrophobicContact CD2-CD2 3.95Å; Y133-F138 AromaticContact CD2-CE2 3.69Å; Y133-F138 HydrophobicContact CD2-CE2 3.69Å; Y133-F138 AromaticContact CE2-CD2 3.85Å; Y133-F138 HydrophobicContact CE2-CD2 3.85Å; Y133-F138 AromaticContact CE2-CE2 3.73Å; Y133-F138 HydrophobicContact CE2-CE2 3.73Å; P135-F138 PolarHBondContact O-N 2.87Å; L136-F138 VanDerWaalsContact C-N 3.28Å; L136-F138 PolarHBondContact O-N 3.41Å; F138-K140 PolarHBondContact O-N 3.35Å; F138-N141 CarbonylContact O-C 3.6Å; F138-N141 WeakPolarHBondContact O-CA 3.4Å; F138-N141 WeakPolarHBondContact O-CB 3.35Å; F138-N141 PolarHBondContact O-N 3.39Å; F138-I143 CarbonylContact C-O 3.51Å; F138-I143 HydrophobicContact CB-CB 4.08Å; F138-I143 HydrophobicContact CB-CG2 4.24Å; F138-I143 HydrophobicContact CD1-CB 4.14Å; F138-I143 HydrophobicContact CD1-CD1 3.86Å; F138-I143 HydrophobicContact CD1-CG2 3.85Å; F138-I143 HydrophobicContact CG-CG2 4.48Å; F138-I143 WeakPolarHBondContact O-CB 3.47Å; F138-I143 PolarHBondContact O-N 2.91Å; F138-I143 VanDerWaalsContact O-N 3.08Å |
| 139 | M | 97.2 | Very high | 95.7 | Very high | 99 Ų | 99 | 49.4 Ų | 49.4 | 49% | 0.488 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.9 | -40.7 | -176 | -64.8 | 173.8 | 67.6 | 0 | 0 | 112.8 | P135 L136 N141 N142 I143 F145 | P135-M139 WeakPolarHBondContact O-CG 3.46Å; P135-M139 PolarHBondContact O-N 3.19Å; L136-M139 HydrophobicContact CD2-SD 4.13Å; L136-M139 PolarHBondContact O-N 2.88Å; M139-N141 PolarHBondContact O-N 3.28Å; M139-N141 VanDerWaalsContact O-N 3.09Å; M139-N142 PolarHBondContact O-N 3.28Å; M139-I143 WeakPolarHBondContact CA-O 3.16Å; M139-I143 PolarHBondContact N-O 2.88Å; M139-F145 HydrophobicContact CG-CB 4.07Å; M139-F145 HydrophobicContact SD-CB 4.29Å |
| 140 | K | 97.5 | Very high | 95.3 | Very high | 161 Ų | 161 | 48 Ų | 48 | 70% | 0.7 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -21.9 | 172.7 | -74.4 | 170.8 | -178 | 169.7 | 0 | 112.9 | L136 F138 | L136-K140 WeakPolarHBondContact O-CB 3.35Å; L136-K140 VanDerWaalsContact O-CG 3.26Å; L136-K140 WeakPolarHBondContact O-CG 3.45Å; L136-K140 PolarHBondContact O-N 3.27Å; F138-K140 PolarHBondContact O-N 3.35Å |
| 141 | N | 97.1 | Very high | 94.2 | Very high | 51 Ų | 51 | 50.4 Ų | 50.4 | 27% | 0.273 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 19.2 | -179.7 | -78.6 | -78 | 0 | 0 | 0 | 113.3 | I99 K103 S137 F138 M139 I143 | I99-N141 HydrophobicContact CG2-CB 3.61Å; I99-N141 VanDerWaalsContact CG2-CG 3.44Å; K103-N141 WeakPolarHBondContact CE-OD1 3.41Å; K103-N141 PolarHBondContact NZ-OD1 2.8Å; S137-N141 PolarHBondContact O-ND2 3.23Å; F138-N141 CarbonylContact O-C 3.6Å; F138-N141 WeakPolarHBondContact O-CA 3.4Å; F138-N141 WeakPolarHBondContact O-CB 3.35Å; F138-N141 PolarHBondContact O-N 3.39Å; M139-N141 PolarHBondContact O-N 3.28Å; M139-N141 VanDerWaalsContact O-N 3.09Å; N141-I143 HydrophobicContact CB-CD1 4.47Å; N141-I143 PolarHBondContact O-N 3.06Å |
| 142 | N | 97.2 | Very high | 92.4 | Very high | 151 Ų | 151 | 50.6 Ų | 50.6 | 81% | 0.807 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 27 | -178 | -60.8 | -43 | 0 | 0 | 0 | 113.9 | M139 | M139-N142 PolarHBondContact O-N 3.28Š|
| 143 | I | 98.4 | Very high | 90.6 | Very high | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -103 | 117.4 | 171.8 | -59.6 | 163.4 | 0 | 0 | 0 | 107.2 | I99 F102 I110 F138 M139 N141 | I99-I143 HydrophobicContact CG2-CD1 4.28Å; F102-I143 HydrophobicContact CB-CD1 3.66Å; F102-I143 HydrophobicContact CD1-CD1 4.02Å; F102-I143 HydrophobicContact CD1-CG2 4.11Å; F102-I143 HydrophobicContact CG-CD1 4.18Å; I110-I143 HydrophobicContact CG2-CG2 4.4Å; F138-I143 CarbonylContact C-O 3.51Å; F138-I143 HydrophobicContact CB-CB 4.08Å; F138-I143 HydrophobicContact CB-CG2 4.24Å; F138-I143 HydrophobicContact CD1-CB 4.14Å; F138-I143 HydrophobicContact CD1-CD1 3.86Å; F138-I143 HydrophobicContact CD1-CG2 3.85Å; F138-I143 HydrophobicContact CG-CG2 4.48Å; F138-I143 WeakPolarHBondContact O-CB 3.47Å; F138-I143 PolarHBondContact O-N 2.91Å; F138-I143 VanDerWaalsContact O-N 3.08Å; M139-I143 WeakPolarHBondContact CA-O 3.16Å; M139-I143 PolarHBondContact N-O 2.88Å; N141-I143 HydrophobicContact CB-CD1 4.47Å; N141-I143 PolarHBondContact O-N 3.06Å |
| 144 | S | 98.2 | Very high | 89.1 | Confident | 53 Ų | 53 | 55.9 Ų | 55.9 | 37% | 0.371 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 134.4 | -178.2 | -59.7 | 0 | 0 | 0 | 0 | 110.7 | C108 S109 I110 | C108-S144 PolarHBondContact O-N 3.06Å; S109-S144 CarbonylContact C-O 3.34Å; S109-S144 WeakPolarHBondContact CA-O 3.34Å; I110-S144 PolarHBondContact N-O 3.02Å |
| 145 | F | 97.7 | Very high | 87.8 | Confident | 42 Ų | 42 | 56.6 Ų | 56.6 | 18% | 0.184 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 128.5 | 174.1 | 172.4 | -95.5 | 0 | 0 | 0 | 110 | I110 N112 Y133 P135 M139 N147 | I110-F145 HydrophobicContact CG2-CB 4.24Å; I110-F145 HydrophobicContact CG2-CD2 3.89Å; N112-F145 HydrophobicContact CB-CE2 3.68Å; N112-F145 HydrophobicContact CB-CZ 3.93Å; Y133-F145 HydrophobicContact CE2-CD2 4.36Å; Y133-F145 HydrophobicContact CE2-CE2 4.14Å; Y133-F145 WeakPolarHBondContact OH-CE2 3.38Å; P135-F145 HydrophobicContact CB-CB 4.32Å; P135-F145 HydrophobicContact CB-CD1 3.75Å; P135-F145 HydrophobicContact CB-CD2 3.78Å; P135-F145 HydrophobicContact CB-CE1 3.88Å; P135-F145 HydrophobicContact CB-CE2 3.93Å; P135-F145 HydrophobicContact CB-CG 3.69Å; P135-F145 HydrophobicContact CB-CZ 3.98Å; P135-F145 HydrophobicContact CG-CD1 4.31Å; P135-F145 HydrophobicContact CG-CD2 4.24Å; P135-F145 HydrophobicContact CG-CE1 3.91Å; P135-F145 HydrophobicContact CG-CE2 3.86Å; P135-F145 HydrophobicContact CG-CG 4.46Å; P135-F145 HydrophobicContact CG-CZ 3.68Å; M139-F145 HydrophobicContact CG-CB 4.07Å; M139-F145 HydrophobicContact SD-CB 4.29Å; F145-N147 HydrophobicContact CE1-CB 3.74Å; F145-N147 HydrophobicContact CZ-CB 3.92Å |
| 146 | Y | 97.7 | Very high | 87 | Confident | 59 Ų | 59 | 56.3 Ų | 56.3 | 23% | 0.231 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 127.5 | 173.9 | -61.7 | -81 | 0 | 0 | 0 | 109.6 | I110 F111 N112 F148 V167 A171 | I110-Y146 PolarHBondContact O-N 2.7Å; F111-Y146 CarbonylContact C-O 3.57Å; F111-Y146 WeakPolarHBondContact CA-O 3.41Å; F111-Y146 HydrophobicContact CD1-CD2 4.31Å; F111-Y146 HydrophobicContact CD1-CG 4.27Å; F111-Y146 HydrophobicContact CD2-CD2 4.18Å; F111-Y146 AromaticContact CE1-CD2 3.88Å; F111-Y146 HydrophobicContact CE1-CD2 3.88Å; F111-Y146 AromaticContact CE1-CG 3.92Å; F111-Y146 HydrophobicContact CE1-CG 3.92Å; F111-Y146 AromaticContact CE2-CD2 3.72Å; F111-Y146 HydrophobicContact CE2-CD2 3.72Å; F111-Y146 HydrophobicContact CE2-CE2 4.19Å; F111-Y146 HydrophobicContact CG-CD2 4.45Å; F111-Y146 AromaticContact CZ-CD2 3.56Å; F111-Y146 HydrophobicContact CZ-CD2 3.56Å; F111-Y146 AromaticContact CZ-CE2 3.99Å; F111-Y146 HydrophobicContact CZ-CE2 3.99Å; F111-Y146 HydrophobicContact CZ-CG 4.07Å; N112-Y146 PolarHBondContact N-O 3.14Å; Y146-F148 HydrophobicContact CD1-CE2 4.4Å; Y146-F148 HydrophobicContact CG-CE2 4.46Å; Y146-V167 HydrophobicContact CD1-CG1 3.79Å; Y146-V167 HydrophobicContact CE1-CG1 3.69Å; Y146-V167 HydrophobicContact CG-CG1 4.29Å; Y146-A171 HydrophobicContact CE2-CB 4.44Å |
| 147 | N | 96.2 | Very high | 86.7 | Confident | 62 Ų | 62 | 55.5 Ų | 55.5 | 33% | 0.332 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 107.8 | 174.1 | -171.5 | -0.5 | 0 | 0 | 0 | 110.5 | N112 Q114 F131 F145 S149 | N112-N147 PolarHBondContact ND2-OD1 2.97Å; N112-N147 WeakPolarHBondContact O-CA 3.35Å; N112-N147 PolarHBondContact O-OD1 3.2Å; Q114-N147 PolarHBondContact O-OD1 3.29Å; F131-N147 WeakPolarHBondContact CZ-ND2 3.44Å; F145-N147 HydrophobicContact CE1-CB 3.74Å; F145-N147 HydrophobicContact CZ-CB 3.92Å; N147-S149 WeakPolarHBondContact OD1-CB 3.34Å; N147-S149 PolarHBondContact OD1-N 3.17Å |
| 148 | F | 94.3 | Very high | 86.5 | Confident | 34 Ų | 34 | 56.7 Ų | 56.7 | 15% | 0.149 | 30% | 0.304 | C | S | . | . | trans | -117.1 | 77.8 | 174.2 | -75.3 | -84.3 | 0 | 0 | 0 | 108.9 | F111 N112 M113 Y146 W150 F160 T164 V167 | F111-F148 HydrophobicContact CD1-CD2 4.03Å; F111-F148 HydrophobicContact CD1-CE2 4.27Å; F111-F148 HydrophobicContact CE1-CD2 4.31Å; F111-F148 HydrophobicContact CE1-CE2 4.08Å; N112-F148 PolarHBondContact O-N 2.89Å; M113-F148 WeakPolarHBondContact CA-O 3.41Å; M113-F148 HydrophobicContact CE-CB 3.84Å; M113-F148 HydrophobicContact SD-CB 4.26Å; Y146-F148 HydrophobicContact CD1-CE2 4.4Å; Y146-F148 HydrophobicContact CG-CE2 4.46Å; F148-W150 WeakPolarHBondContact O-CZ3 3.45Å; F148-F160 HydrophobicContact CB-CE1 4.22Å; F148-F160 HydrophobicContact CB-CZ 3.73Å; F148-F160 HydrophobicContact CD1-CE1 4.47Å; F148-F160 HydrophobicContact CD1-CE2 4.05Å; F148-F160 AromaticContact CD1-CZ 3.88Å; F148-F160 HydrophobicContact CD1-CZ 3.88Å; F148-F160 HydrophobicContact CG-CZ 4.32Å; F148-T164 HydrophobicContact CB-CG2 4.01Å; F148-T164 HydrophobicContact CD1-CG2 4.1Å; F148-T164 WeakPolarHBondContact CD1-OG1 3.28Å; F148-T164 HydrophobicContact CD2-CG2 4.06Å; F148-T164 HydrophobicContact CG-CG2 3.8Å; F148-V167 HydrophobicContact CE2-CB 4.16Å; F148-V167 HydrophobicContact CE2-CG1 4.06Å; F148-V167 HydrophobicContact CZ-CB 3.99Å; F148-V167 HydrophobicContact CZ-CG1 4.26Å; F148-V167 HydrophobicContact CZ-CG2 3.89Å | ||
| 149 | S | 87.2 | Confident | 86.2 | Confident | 44 Ų | 44 | 60.4 Ų | 60.4 | 31% | 0.308 | 32% | 0.321 | S | S | . | . | trans | -93.9 | 140.3 | -175 | 64 | 0 | 0 | 0 | 0 | 114.2 | Q114 N147 | Q114-S149 VanDerWaalsContact C-CB 3.43Å; Q114-S149 VanDerWaalsContact O-CB 3.24Å; Q114-S149 WeakPolarHBondContact O-CB 3.48Å; N147-S149 WeakPolarHBondContact OD1-CB 3.34Å; N147-S149 PolarHBondContact OD1-N 3.17Å | ||
| 150 | W | 81.6 | Confident | 86 | Confident | 26 Ų | 26 | 58.3 Ų | 58.3 | 10% | 0.098 | 31% | 0.309 | C | S | . | . | trans | -143.5 | 162 | 158 | 68.3 | 98.3 | 0 | 0 | 0 | 109 | M113 F148 D154 A156 F160 R187 I191 | M113-W150 HydrophobicContact CB-CZ3 4.31Å; M113-W150 HydrophobicContact CG-CZ3 4.47Å; M113-W150 HydrophobicContact SD-CH2 4.1Å; M113-W150 HydrophobicContact SD-CZ3 3.77Å; F148-W150 WeakPolarHBondContact O-CZ3 3.45Å; W150-D154 PolarHBondContact NE1-O 3.27Å; W150-A156 HydrophobicContact CB-CB 4.48Å; W150-A156 HydrophobicContact CD2-CB 3.77Å; W150-A156 HydrophobicContact CE3-CB 4.18Å; W150-A156 HydrophobicContact CG-CB 3.92Å; W150-F160 HydrophobicContact CD2-CE1 4.41Å; W150-F160 HydrophobicContact CE3-CD1 4.34Å; W150-F160 AromaticContact CE3-CE1 3.45Å; W150-F160 HydrophobicContact CE3-CE1 3.45Å; W150-F160 VanDerWaalsContact CE3-CE1 3.45Å; W150-F160 HydrophobicContact CE3-CZ 4.06Å; W150-F160 AromaticContact CZ3-CE1 3.8Å; W150-F160 HydrophobicContact CZ3-CE1 3.8Å; W150-R187 HydrophobicContact CD2-CG 4.41Å; W150-R187 HydrophobicContact CH2-CB 3.6Å; W150-R187 HydrophobicContact CH2-CG 3.96Å; W150-R187 HydrophobicContact CZ2-CB 3.41Å; W150-R187 VanDerWaalsContact CZ2-CB 3.41Å; W150-R187 HydrophobicContact CZ2-CG 3.28Å; W150-R187 PolarHBondContact O-NH1 3.1Å; W150-I191 HydrophobicContact CH2-CD1 3.84Å; W150-I191 HydrophobicContact CH2-CG1 3.34Å; W150-I191 HydrophobicContact CZ2-CG1 4.31Å; W150-I191 HydrophobicContact CZ3-CD1 4.16Å; W150-I191 HydrophobicContact CZ3-CG1 3.92Å | ||
| 151 | C | 69.4 | Low | 86 | Confident | 65 Ų | 65 | 50.7 Ų | 50.7 | 44% | 0.439 | 28% | 0.276 | S | S | . | . | trans | -53.6 | 141.5 | -175 | -61.5 | 0 | 0 | 0 | 0 | 112.4 | D154 | C151-D154 HydrophobicContact CB-CB 4Å; C151-D154 VanDerWaalsContact CB-OD2 3.25Å; C151-D154 WeakPolarHBondContact CB-OD2 3.4Å; C151-D154 PolarHBondContact O-N 3.09Å | ||
| 152 | D | 56.7 | Low | 85.8 | Confident | 31 Ų | 31 | 48.3 Ų | 48.3 | 17% | 0.166 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 137.9 | 178.2 | -149 | 18.5 | 0 | 0 | 0 | 109.9 | H119 D154 R187 | H119-D152 IonicContact CE1-OD2 3.81Å; H119-D152 IonicContact NE2-OD2 3Å; H119-D152 PolarHBondContact NE2-OD2 2.91Å; D152-D154 PolarHBondContact O-N 3.46Å; D152-R187 IonicContact OD1-CZ 3.28Å; D152-R187 IonicContact OD1-NE 3.93Å; D152-R187 PolarHBondContact OD1-NE 3.41Å; D152-R187 IonicContact OD1-NH2 3.23Å; D152-R187 PolarHBondContact OD1-NH2 2.89Å; D152-R187 IonicContact OD2-NH2 2.8Å |
| 153 | Y | 58.4 | Low | 85.7 | Confident | 24 Ų | 24 | 44.7 Ų | 44.7 | 9% | 0.094 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | -10.4 | -172.5 | -51.3 | -84.4 | 0 | 0 | 0 | 117.7 | R36 L44 T221 | R36-Y153 PolarHBondContact NH1-OH 2.94Å; L44-Y153 HydrophobicContact CD1-CE2 4.32Å; Y153-T221 HydrophobicContact CD1-CG2 4.19Å |
| 154 | D | 65 | Low | 85.6 | Confident | 93 Ų | 93 | 44.5 Ų | 44.5 | 50% | 0.497 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -79.3 | 167.6 | 171 | -82.5 | -26.3 | 0 | 0 | 0 | 112.8 | W150 C151 D152 | W150-D154 PolarHBondContact NE1-O 3.27Å; C151-D154 HydrophobicContact CB-CB 4Å; C151-D154 VanDerWaalsContact CB-OD2 3.25Å; C151-D154 WeakPolarHBondContact CB-OD2 3.4Å; C151-D154 PolarHBondContact O-N 3.09Å; D152-D154 PolarHBondContact O-N 3.46Å |
| 155 | V | 68 | Low | 85.5 | Confident | 62 Ų | 62 | 42 Ų | 42 | 38% | 0.376 | 23% | 0.225 | S | C | . | . | trans | -107.5 | 119.3 | 177.3 | 176.6 | 0 | 0 | 0 | 0 | 109.5 | N223 C227 | V155-N223 HydrophobicContact CG2-CB 3.88Å; V155-N223 WeakPolarHBondContact CG2-O 3.5Å; V155-C227 HydrophobicContact CB-CB 4.5Å; V155-C227 HydrophobicContact CG1-CB 3.55Å; V155-C227 VanDerWaalsContact CG1-SG 3.51Å; V155-C227 HydrophobicContact CG2-CB 4.17Å | ||
| 156 | A | 80.6 | Confident | 85.3 | Confident | 10 Ų | 10 | 40.9 Ų | 40.9 | 8% | 0.083 | 22% | 0.222 | C | C | . | . | trans | -61.3 | 154.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | W150 F160 I161 | W150-A156 HydrophobicContact CB-CB 4.48Å; W150-A156 HydrophobicContact CD2-CB 3.77Å; W150-A156 HydrophobicContact CE3-CB 4.18Å; W150-A156 HydrophobicContact CG-CB 3.92Å; A156-F160 HydrophobicContact CB-CD1 3.59Å; A156-F160 HydrophobicContact CB-CE1 4.18Å; A156-F160 HydrophobicContact CB-CG 4.35Å; A156-I161 HydrophobicContact CB-CD1 4.28Å; A156-I161 HydrophobicContact CB-CG1 3.91Å | ||
| 157 | S | 89.3 | Confident | 85.2 | Confident | 74 Ų | 74 | 40 Ų | 40 | 52% | 0.517 | 22% | 0.223 | S | C | . | . | trans | -64 | 150.1 | 173.2 | 78.2 | 0 | 0 | 0 | 0 | 110.8 | Q159 F160 I161 | S157-Q159 PolarHBondContact O-N 3.14Å; S157-F160 WeakPolarHBondContact O-CB 3.43Å; S157-F160 PolarHBondContact O-N 3.35Å; S157-F160 VanDerWaalsContact O-N 3.12Å; S157-F160 VanDerWaalsContact OG-CB 3.29Å; S157-F160 WeakPolarHBondContact OG-CB 3.48Å; S157-F160 PolarHBondContact OG-N 3.11Å; S157-F160 VanDerWaalsContact OG-N 3.16Å; S157-I161 WeakPolarHBondContact O-CG1 3.48Å; S157-I161 PolarHBondContact O-N 3.41Å | ||
| 158 | L | 91.8 | Very high | 85.2 | Confident | 46 Ų | 46 | 37.2 Ų | 37.2 | 24% | 0.241 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.1 | -31.5 | -178.5 | -56.8 | 177.7 | 0 | 0 | 0 | 112.2 | I161 L162 K230 F231 Y234 | L158-I161 HydrophobicContact CD2-CD1 4.44Å; L158-L162 PolarHBondContact O-N 3.04Å; L158-K230 HydrophobicContact CD1-CB 4.28Å; L158-K230 HydrophobicContact CD2-CB 3.93Å; L158-F231 HydrophobicContact CD2-CB 4.18Å; L158-F231 HydrophobicContact CD2-CD2 4.44Å; L158-Y234 HydrophobicContact CB-CD1 3.93Å; L158-Y234 HydrophobicContact CB-CD2 4.13Å; L158-Y234 HydrophobicContact CB-CE1 4.19Å; L158-Y234 HydrophobicContact CB-CE2 4.38Å; L158-Y234 HydrophobicContact CB-CG 3.9Å; L158-Y234 HydrophobicContact CD1-CD2 4.01Å; L158-Y234 HydrophobicContact CD1-CG 3.97Å |
| 159 | Q | 91 | Very high | 85.2 | Confident | 77 Ų | 77 | 36.4 Ų | 36.4 | 36% | 0.36 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.9 | -45.9 | 173.4 | -174.1 | 62.3 | 56.9 | 0 | 0 | 111.4 | S157 I161 L162 D163 Y234 | S157-Q159 PolarHBondContact O-N 3.14Å; Q159-I161 VanDerWaalsContact C-N 3.28Å; Q159-I161 PolarHBondContact O-N 3Å; Q159-L162 WeakPolarHBondContact O-CB 3.36Å; Q159-L162 PolarHBondContact O-N 3.47Å; Q159-L162 VanDerWaalsContact O-N 3.1Å; Q159-D163 PolarHBondContact NE2-OD1 3.48Å; Q159-D163 VanDerWaalsContact O-CG 3.23Å; Q159-D163 PolarHBondContact O-N 3.21Å; Q159-Y234 PolarHBondContact OE1-OH 3.31Å |
| 160 | F | 93.6 | Very high | 85.5 | Confident | 55 Ų | 55 | 38.9 Ų | 38.9 | 24% | 0.241 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.2 | -41.5 | 177.1 | 177.4 | -86.7 | 0 | 0 | 0 | 111.8 | F148 W150 A156 S157 D163 T164 | F148-F160 HydrophobicContact CB-CE1 4.22Å; F148-F160 HydrophobicContact CB-CZ 3.73Å; F148-F160 HydrophobicContact CD1-CE1 4.47Å; F148-F160 HydrophobicContact CD1-CE2 4.05Å; F148-F160 AromaticContact CD1-CZ 3.88Å; F148-F160 HydrophobicContact CD1-CZ 3.88Å; F148-F160 HydrophobicContact CG-CZ 4.32Å; W150-F160 HydrophobicContact CD2-CE1 4.41Å; W150-F160 HydrophobicContact CE3-CD1 4.34Å; W150-F160 AromaticContact CE3-CE1 3.45Å; W150-F160 HydrophobicContact CE3-CE1 3.45Å; W150-F160 VanDerWaalsContact CE3-CE1 3.45Å; W150-F160 HydrophobicContact CE3-CZ 4.06Å; W150-F160 AromaticContact CZ3-CE1 3.8Å; W150-F160 HydrophobicContact CZ3-CE1 3.8Å; A156-F160 HydrophobicContact CB-CD1 3.59Å; A156-F160 HydrophobicContact CB-CE1 4.18Å; A156-F160 HydrophobicContact CB-CG 4.35Å; S157-F160 WeakPolarHBondContact O-CB 3.43Å; S157-F160 PolarHBondContact O-N 3.35Å; S157-F160 VanDerWaalsContact O-N 3.12Å; S157-F160 VanDerWaalsContact OG-CB 3.29Å; S157-F160 WeakPolarHBondContact OG-CB 3.48Å; S157-F160 PolarHBondContact OG-N 3.11Å; S157-F160 VanDerWaalsContact OG-N 3.16Å; F160-D163 PolarHBondContact O-N 2.95Å; F160-T164 WeakPolarHBondContact O-CB 3.35Å; F160-T164 PolarHBondContact O-N 3.27Å; F160-T164 PolarHBondContact O-OG1 3.43Å |
| 161 | I | 95.9 | Very high | 86.2 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.4 | -45.8 | 175.4 | -64.2 | 168.4 | 0 | 0 | 0 | 110.1 | A156 S157 L158 Q159 D163 T164 V165 I191 C194 C227 F231 | A156-I161 HydrophobicContact CB-CD1 4.28Å; A156-I161 HydrophobicContact CB-CG1 3.91Å; S157-I161 WeakPolarHBondContact O-CG1 3.48Å; S157-I161 PolarHBondContact O-N 3.41Å; L158-I161 HydrophobicContact CD2-CD1 4.44Å; Q159-I161 VanDerWaalsContact C-N 3.28Å; Q159-I161 PolarHBondContact O-N 3Å; I161-D163 VanDerWaalsContact C-N 3.34Å; I161-D163 PolarHBondContact O-N 3.46Å; I161-T164 WeakPolarHBondContact O-CB 3.44Å; I161-T164 PolarHBondContact O-N 3Å; I161-V165 HydrophobicContact CG2-CG1 4.29Å; I161-V165 WeakPolarHBondContact O-CG1 3.43Å; I161-V165 WeakPolarHBondContact O-CG2 3.27Å; I161-V165 PolarHBondContact O-N 3.1Å; I161-I191 HydrophobicContact CG1-CD1 4.19Å; I161-I191 HydrophobicContact CG2-CD1 4.21Å; I161-C194 HydrophobicContact CG2-CB 3.54Å; I161-C227 WeakPolarHBondContact CD1-SG 3.49Å; I161-F231 HydrophobicContact CB-CD2 4Å; I161-F231 HydrophobicContact CB-CE2 3.94Å; I161-F231 HydrophobicContact CG2-CD1 4.09Å; I161-F231 HydrophobicContact CG2-CD2 3.61Å; I161-F231 HydrophobicContact CG2-CE1 4Å; I161-F231 HydrophobicContact CG2-CE2 3.53Å; I161-F231 HydrophobicContact CG2-CG 3.9Å; I161-F231 HydrophobicContact CG2-CZ 3.73Å |
| 162 | L | 94.7 | Very high | 87.5 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.8 | -45.5 | 178.1 | -178 | 56.3 | 0 | 0 | 0 | 112.2 | L158 Q159 T164 V165 T166 F198 F231 Y234 L235 V259 L260 | L158-L162 PolarHBondContact O-N 3.04Å; Q159-L162 WeakPolarHBondContact O-CB 3.36Å; Q159-L162 PolarHBondContact O-N 3.47Å; Q159-L162 VanDerWaalsContact O-N 3.1Å; L162-T164 VanDerWaalsContact C-N 3.33Å; L162-T164 PolarHBondContact O-N 2.93Å; L162-V165 HydrophobicContact CD1-CG2 4.24Å; L162-V165 VanDerWaalsContact O-CG2 3.32Å; L162-V165 WeakPolarHBondContact O-CG2 3.43Å; L162-V165 PolarHBondContact O-N 3.28Å; L162-T166 WeakPolarHBondContact O-CB 3.31Å; L162-T166 PolarHBondContact O-N 2.98Å; L162-T166 PolarHBondContact O-OG1 2.9Å; L162-F198 HydrophobicContact CD1-CD2 3.91Å; L162-F198 HydrophobicContact CD1-CE2 3.67Å; L162-F231 HydrophobicContact CB-CE2 4.01Å; L162-F231 HydrophobicContact CB-CZ 4.41Å; L162-F231 HydrophobicContact CD1-CZ 4.31Å; L162-Y234 HydrophobicContact CB-CE1 4.45Å; L162-Y234 HydrophobicContact CD2-CE1 4.04Å; L162-L235 HydrophobicContact CD1-CD2 3.99Å; L162-V259 HydrophobicContact CD2-CG1 3.27Å; L162-L260 HydrophobicContact CD1-CD2 4.4Å |
| 163 | D | 93.8 | Very high | 89.2 | Confident | 76 Ų | 76 | 36.9 Ų | 36.9 | 41% | 0.406 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.5 | -43.5 | 178.2 | -61.1 | -21.4 | 0 | 0 | 0 | 110.5 | Q159 F160 I161 T166 V167 | Q159-D163 PolarHBondContact NE2-OD1 3.48Å; Q159-D163 VanDerWaalsContact O-CG 3.23Å; Q159-D163 PolarHBondContact O-N 3.21Å; F160-D163 PolarHBondContact O-N 2.95Å; I161-D163 VanDerWaalsContact C-N 3.34Å; I161-D163 PolarHBondContact O-N 3.46Å; D163-T166 PolarHBondContact O-N 3.22Å; D163-V167 WeakPolarHBondContact O-CG2 3.4Å; D163-V167 PolarHBondContact O-N 3.18Å |
| 164 | T | 96.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.5 | -50.8 | 177.7 | -54.1 | 0 | 0 | 0 | 0 | 111.7 | F148 F160 I161 L162 T166 V167 I168 I191 | F148-T164 HydrophobicContact CB-CG2 4.01Å; F148-T164 HydrophobicContact CD1-CG2 4.1Å; F148-T164 WeakPolarHBondContact CD1-OG1 3.28Å; F148-T164 HydrophobicContact CD2-CG2 4.06Å; F148-T164 HydrophobicContact CG-CG2 3.8Å; F160-T164 WeakPolarHBondContact O-CB 3.35Å; F160-T164 PolarHBondContact O-N 3.27Å; F160-T164 PolarHBondContact O-OG1 3.43Å; I161-T164 WeakPolarHBondContact O-CB 3.44Å; I161-T164 PolarHBondContact O-N 3Å; L162-T164 VanDerWaalsContact C-N 3.33Å; L162-T164 PolarHBondContact O-N 2.93Å; T164-T166 VanDerWaalsContact C-N 3.27Å; T164-T166 PolarHBondContact O-N 3.19Å; T164-V167 PolarHBondContact O-N 2.96Å; T164-I168 HydrophobicContact CG2-CD1 4.18Å; T164-I168 WeakPolarHBondContact O-CG1 3.27Å; T164-I168 PolarHBondContact O-N 2.9Å; T164-I191 HydrophobicContact CG2-CD1 4.09Å; T164-I191 HydrophobicContact CG2-CG1 4.5Å; T164-I191 HydrophobicContact CG2-CG2 3.78Å |
| 165 | V | 96.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.8 | -28 | -178 | -57.5 | 0 | 0 | 0 | 0 | 112.2 | I161 L162 I168 Q169 C194 Y195 F198 F231 | I161-V165 HydrophobicContact CG2-CG1 4.29Å; I161-V165 WeakPolarHBondContact O-CG1 3.43Å; I161-V165 WeakPolarHBondContact O-CG2 3.27Å; I161-V165 PolarHBondContact O-N 3.1Å; L162-V165 HydrophobicContact CD1-CG2 4.24Å; L162-V165 VanDerWaalsContact O-CG2 3.32Å; L162-V165 WeakPolarHBondContact O-CG2 3.43Å; L162-V165 PolarHBondContact O-N 3.28Å; V165-I168 PolarHBondContact O-N 3.34Å; V165-Q169 PolarHBondContact O-N 3.22Å; V165-C194 HydrophobicContact CG1-CB 4.08Å; V165-Y195 HydrophobicContact CB-CD2 4.23Å; V165-F198 HydrophobicContact CB-CB 4.44Å; V165-F198 HydrophobicContact CB-CD1 4.31Å; V165-F198 HydrophobicContact CB-CG 4.45Å; V165-F198 HydrophobicContact CG2-CB 3.89Å; V165-F198 HydrophobicContact CG2-CD1 3.85Å; V165-F198 HydrophobicContact CG2-CD2 4.06Å; V165-F198 HydrophobicContact CG2-CE1 4.38Å; V165-F198 HydrophobicContact CG2-CG 3.67Å; V165-F231 HydrophobicContact CG2-CE1 4.46Å; V165-F231 HydrophobicContact CG2-CZ 3.95Å |
| 166 | T | 93.6 | Very high | 93.7 | Very high | 19 Ų | 19 | 38.3 Ų | 38.3 | 12% | 0.117 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.9 | -43.2 | 173.4 | -58.6 | 0 | 0 | 0 | 0 | 110.9 | L162 D163 T164 I168 Q169 F170 H262 | L162-T166 WeakPolarHBondContact O-CB 3.31Å; L162-T166 PolarHBondContact O-N 2.98Å; L162-T166 PolarHBondContact O-OG1 2.9Å; D163-T166 PolarHBondContact O-N 3.22Å; T164-T166 VanDerWaalsContact C-N 3.27Å; T164-T166 PolarHBondContact O-N 3.19Å; T166-I168 VanDerWaalsContact C-N 3.35Å; T166-Q169 PolarHBondContact O-N 3.5Å; T166-F170 PolarHBondContact O-N 3.47Å; T166-F170 VanDerWaalsContact O-N 3.15Å; T166-H262 HydrophobicContact CG2-CB 3.94Å |
| 167 | V | 95 | Very high | 94.6 | Very high | 41 Ų | 41 | 37.8 Ų | 37.8 | 25% | 0.248 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.7 | -36.4 | 174.7 | 176.5 | 0 | 0 | 0 | 0 | 111.4 | F111 Y146 F148 D163 T164 F170 A171 | F111-V167 HydrophobicContact CE1-CB 4.47Å; F111-V167 HydrophobicContact CE1-CG1 3.9Å; F111-V167 HydrophobicContact CZ-CG1 4.06Å; Y146-V167 HydrophobicContact CD1-CG1 3.79Å; Y146-V167 HydrophobicContact CE1-CG1 3.69Å; Y146-V167 HydrophobicContact CG-CG1 4.29Å; F148-V167 HydrophobicContact CE2-CB 4.16Å; F148-V167 HydrophobicContact CE2-CG1 4.06Å; F148-V167 HydrophobicContact CZ-CB 3.99Å; F148-V167 HydrophobicContact CZ-CG1 4.26Å; F148-V167 HydrophobicContact CZ-CG2 3.89Å; D163-V167 WeakPolarHBondContact O-CG2 3.4Å; D163-V167 PolarHBondContact O-N 3.18Å; T164-V167 PolarHBondContact O-N 2.96Å; V167-F170 PolarHBondContact O-N 3.26Å; V167-A171 WeakPolarHBondContact O-CB 3.47Å; V167-A171 PolarHBondContact O-N 2.99Å |
| 168 | I | 96.9 | Very high | 95 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.3 | -47.6 | 172 | -75 | 173 | 0 | 0 | 0 | 111.2 | F111 T164 V165 T166 F170 A171 I172 I177 I191 Y195 | F111-I168 HydrophobicContact CD1-CG1 3.94Å; F111-I168 HydrophobicContact CE1-CG1 3.54Å; F111-I168 HydrophobicContact CE2-CG1 4.37Å; F111-I168 HydrophobicContact CZ-CB 4.48Å; F111-I168 HydrophobicContact CZ-CG1 3.78Å; T164-I168 HydrophobicContact CG2-CD1 4.18Å; T164-I168 WeakPolarHBondContact O-CG1 3.27Å; T164-I168 PolarHBondContact O-N 2.9Å; V165-I168 PolarHBondContact O-N 3.34Å; T166-I168 VanDerWaalsContact C-N 3.35Å; I168-F170 VanDerWaalsContact C-N 3.29Å; I168-F170 PolarHBondContact O-N 3.05Å; I168-A171 PolarHBondContact O-N 3.02Å; I168-A171 VanDerWaalsContact O-N 3.16Å; I168-I172 HydrophobicContact CG2-CD1 3.57Å; I168-I172 HydrophobicContact CG2-CG1 4.36Å; I168-I172 WeakPolarHBondContact O-CB 3.37Å; I168-I172 WeakPolarHBondContact O-CG1 3.01Å; I168-I172 PolarHBondContact O-N 3.26Å; I168-I177 HydrophobicContact CB-CD1 4.33Å; I168-I177 HydrophobicContact CG1-CD1 4.08Å; I168-I177 HydrophobicContact CG2-CD1 3.67Å; I168-I191 HydrophobicContact CD1-CG2 3.4Å; I168-Y195 HydrophobicContact CB-CD2 4.13Å; I168-Y195 HydrophobicContact CG2-CD1 4.25Å; I168-Y195 HydrophobicContact CG2-CD2 3.42Å; I168-Y195 VanDerWaalsContact CG2-CD2 3.42Å; I168-Y195 HydrophobicContact CG2-CE1 4.43Å; I168-Y195 HydrophobicContact CG2-CE2 3.65Å; I168-Y195 HydrophobicContact CG2-CG 3.74Å |
| 169 | Q | 94.3 | Very high | 95.4 | Very high | 18 Ų | 18 | 32.1 Ų | 32.1 | 8% | 0.084 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.4 | -42.9 | 178.6 | -170.1 | 176.2 | 63.1 | 0 | 0 | 111.6 | Y2 V165 T166 F173 Y195 F198 N199 H262 | Y2-Q169 VanDerWaalsContact CB-NE2 3.32Å; V165-Q169 PolarHBondContact O-N 3.22Å; T166-Q169 PolarHBondContact O-N 3.5Å; Q169-F173 PolarHBondContact O-N 3.31Å; Q169-Y195 HydrophobicContact CB-CE2 3.96Å; Q169-Y195 HydrophobicContact CG-CE2 4.48Å; Q169-F198 HydrophobicContact CB-CE1 4.42Å; Q169-N199 PolarHBondContact NE2-OD1 3.39Å; Q169-H262 PolarHBondContact OE1-CE1 3.47Å |
| 170 | F | 92.9 | Very high | 95.7 | Very high | 96 Ų | 96 | 28.4 Ų | 28.4 | 42% | 0.421 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -65.4 | -43.6 | 174.8 | 173.5 | -99 | 0 | 0 | 0 | 112.7 | T166 V167 I168 F173 K174 | T166-F170 PolarHBondContact O-N 3.47Å; T166-F170 VanDerWaalsContact O-N 3.15Å; V167-F170 PolarHBondContact O-N 3.26Å; I168-F170 VanDerWaalsContact C-N 3.29Å; I168-F170 PolarHBondContact O-N 3.05Å; F170-F173 WeakPolarHBondContact O-CB 3.46Å; F170-F173 PolarHBondContact O-N 3.34Å; F170-K174 HydrophobicContact CE1-CG 4.36Å; F170-K174 HydrophobicContact CZ-CG 4.29Å; F170-K174 PolarHBondContact O-N 3.43Å |
| 171 | A | 95.7 | Very high | 95.7 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.008 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.8 | -41.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F111 Y146 V167 I168 F173 K174 G175 I177 | F111-A171 HydrophobicContact CE2-CB 3.73Å; F111-A171 HydrophobicContact CZ-CB 3.64Å; Y146-A171 HydrophobicContact CE2-CB 4.44Å; V167-A171 WeakPolarHBondContact O-CB 3.47Å; V167-A171 PolarHBondContact O-N 2.99Å; I168-A171 PolarHBondContact O-N 3.02Å; I168-A171 VanDerWaalsContact O-N 3.16Å; A171-F173 VanDerWaalsContact C-N 3.27Å; A171-F173 PolarHBondContact O-N 2.92Å; A171-K174 WeakPolarHBondContact O-CA 3.48Å; A171-K174 WeakPolarHBondContact O-CB 3.31Å; A171-K174 PolarHBondContact O-N 3.44Å; A171-G175 PolarHBondContact O-N 3.01Å; A171-G175 VanDerWaalsContact O-N 3.1Å; A171-I177 HydrophobicContact CB-CG2 3.77Å |
| 172 | I | 96.3 | Very high | 95.6 | Very high | 3 Ų | 3 | 26.3 Ų | 26.3 | 2% | 0.015 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.9 | -39.5 | 174.6 | -74.4 | 166.4 | 0 | 0 | 0 | 111.4 | I3 N81 I82 I168 K174 G175 I177 Y195 | I3-I172 HydrophobicContact CB-CG2 4.13Å; I3-I172 HydrophobicContact CD1-CG2 4.11Å; I3-I172 HydrophobicContact CG1-CG2 4.49Å; N81-I172 HydrophobicContact CB-CG1 4.35Å; N81-I172 HydrophobicContact CB-CG2 3.94Å; I82-I172 HydrophobicContact CD1-CD1 3.76Å; I82-I172 HydrophobicContact CG1-CD1 3.7Å; I82-I172 HydrophobicContact CG1-CG1 4.45Å; I168-I172 HydrophobicContact CG2-CD1 3.57Å; I168-I172 HydrophobicContact CG2-CG1 4.36Å; I168-I172 WeakPolarHBondContact O-CB 3.37Å; I168-I172 WeakPolarHBondContact O-CG1 3.01Å; I168-I172 PolarHBondContact O-N 3.26Å; I172-K174 PolarHBondContact O-N 3.45Å; I172-G175 CarbonylContact C-O 3.46Å; I172-G175 VanDerWaalsContact CA-O 3.24Å; I172-G175 WeakPolarHBondContact CA-O 3.3Å; I172-G175 PolarHBondContact O-N 3.4Å; I172-G175 VanDerWaalsContact O-N 3.13Å; I172-I177 HydrophobicContact CD1-CD1 4.21Å; I172-I177 HydrophobicContact CG1-CD1 4.11Å; I172-I177 HydrophobicContact CG1-CG1 4.13Å; I172-I177 HydrophobicContact CG1-CG2 4.05Å; I172-Y195 HydrophobicContact CD1-CE1 3.74Å; I172-Y195 HydrophobicContact CD1-CE2 4.1Å; I172-Y195 VanDerWaalsContact CD1-CZ 3.44Å; I172-Y195 VanDerWaalsContact CD1-OH 3.25Å; I172-Y195 WeakPolarHBondContact CD1-OH 3.31Å |
| 173 | F | 92 | Very high | 95.5 | Very high | 76 Ų | 76 | 26.9 Ų | 26.9 | 33% | 0.333 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -62.5 | -22.8 | 174.7 | -173.8 | -98.1 | 0 | 0 | 0 | 113.2 | M1 I3 Q169 F170 A171 | M1-F173 HydrophobicContact CB-CD2 3.96Å; M1-F173 HydrophobicContact CB-CE1 4.41Å; M1-F173 HydrophobicContact CB-CE2 3.78Å; M1-F173 HydrophobicContact CB-CG 4.38Å; M1-F173 HydrophobicContact CB-CZ 4.04Å; M1-F173 HydrophobicContact CE-CE1 4.09Å; M1-F173 HydrophobicContact CE-CE2 3.9Å; M1-F173 HydrophobicContact CE-CZ 3.27Å; M1-F173 HydrophobicContact CG-CE2 4.3Å; M1-F173 HydrophobicContact CG-CZ 4.22Å; M1-F173 HydrophobicContact SD-CE1 3.73Å; M1-F173 HydrophobicContact SD-CE2 4.1Å; M1-F173 HydrophobicContact SD-CZ 3.44Å; M1-F173 WeakPolarHBondContact SD-CZ 3.39Å; I3-F173 HydrophobicContact CG1-CD2 4.41Å; Q169-F173 PolarHBondContact O-N 3.31Å; F170-F173 WeakPolarHBondContact O-CB 3.46Å; F170-F173 PolarHBondContact O-N 3.34Å; A171-F173 VanDerWaalsContact C-N 3.27Å; A171-F173 PolarHBondContact O-N 2.92Å |
| 174 | K | 92.8 | Very high | 95.5 | Very high | 134 Ų | 134 | 23.3 Ų | 23.3 | 58% | 0.583 | 11% | 0.113 | S | C | * | . | H | α-helix | trans | -90.8 | -19.2 | 174.9 | -64.2 | -61 | -172.3 | 179.6 | 0 | 113.9 | F170 A171 I172 | F170-K174 HydrophobicContact CE1-CG 4.36Å; F170-K174 HydrophobicContact CZ-CG 4.29Å; F170-K174 PolarHBondContact O-N 3.43Å; A171-K174 WeakPolarHBondContact O-CA 3.48Å; A171-K174 WeakPolarHBondContact O-CB 3.31Å; A171-K174 PolarHBondContact O-N 3.44Å; I172-K174 PolarHBondContact O-N 3.45Å |
| 175 | G | 96 | Very high | 95.4 | Very high | 11 Ų | 11 | 23.6 Ų | 23.6 | 11% | 0.113 | 12% | 0.115 | C | C | . | . | S | Bend | trans | 153.9 | -178.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | A171 I172 | A171-G175 PolarHBondContact O-N 3.01Å; A171-G175 VanDerWaalsContact O-N 3.1Å; I172-G175 CarbonylContact C-O 3.46Å; I172-G175 VanDerWaalsContact CA-O 3.24Å; I172-G175 WeakPolarHBondContact CA-O 3.3Å; I172-G175 PolarHBondContact O-N 3.4Å; I172-G175 VanDerWaalsContact O-N 3.13Å |
| 176 | K | 98.6 | Very high | 95.2 | Very high | 63 Ų | 63 | 23.8 Ų | 23.8 | 27% | 0.274 | 12% | 0.117 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 158.2 | -176.7 | -52.6 | -174.9 | -173 | 163.8 | 0 | 111 | W77 Q80 N81 M105 N106 I107 C108 | W77-K176 HydrophobicContact CH2-CB 3.98Å; W77-K176 HydrophobicContact CH2-CD 3.52Å; W77-K176 HydrophobicContact CH2-CG 4.37Å; W77-K176 HydrophobicContact CZ2-CD 4.28Å; W77-K176 HydrophobicContact CZ3-CB 4.2Å; W77-K176 HydrophobicContact CZ3-CD 3.93Å; Q80-K176 WeakPolarHBondContact O-CD 3.47Å; Q80-K176 WeakPolarHBondContact O-CE 3.47Å; N81-K176 WeakPolarHBondContact O-CA 3.38Å; M105-K176 WeakPolarHBondContact O-CD 3.33Å; M105-K176 PolarHBondContact O-NZ 2.96Å; N106-K176 WeakPolarHBondContact O-CB 3.41Å; N106-K176 PolarHBondContact O-N 3.39Å; I107-K176 CarbonylContact C-O 3.52Å; I107-K176 VanDerWaalsContact CA-O 3.31Å; I107-K176 WeakPolarHBondContact CA-O 3.5Å; I107-K176 HydrophobicContact CG1-CB 4.19Å; C108-K176 PolarHBondContact N-O 2.92Å |
| 177 | I | 98.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 151.4 | -178.6 | 71.2 | 165.8 | 0 | 0 | 0 | 111.5 | N81 I82 L83 S109 F111 I168 A171 I172 V179 | N81-I177 PolarHBondContact O-N 2.98Å; I82-I177 HydrophobicContact CB-CG1 4.46Å; I82-I177 HydrophobicContact CG1-CD1 4.31Å; I82-I177 HydrophobicContact CG1-CG1 4.13Å; I82-I177 HydrophobicContact CG2-CG1 4.36Å; L83-I177 PolarHBondContact N-O 3.33Å; S109-I177 CarbonylContact O-C 3.54Å; S109-I177 WeakPolarHBondContact O-CA 3.41Å; F111-I177 HydrophobicContact CD2-CB 4.16Å; F111-I177 HydrophobicContact CD2-CD1 4.08Å; F111-I177 HydrophobicContact CE2-CB 4.05Å; F111-I177 HydrophobicContact CE2-CD1 3.97Å; F111-I177 HydrophobicContact CE2-CG2 3.94Å; I168-I177 HydrophobicContact CB-CD1 4.33Å; I168-I177 HydrophobicContact CG1-CD1 4.08Å; I168-I177 HydrophobicContact CG2-CD1 3.67Å; A171-I177 HydrophobicContact CB-CG2 3.77Å; I172-I177 HydrophobicContact CD1-CD1 4.21Å; I172-I177 HydrophobicContact CG1-CD1 4.11Å; I172-I177 HydrophobicContact CG1-CG1 4.13Å; I172-I177 HydrophobicContact CG1-CG2 4.05Å; I177-V179 HydrophobicContact CD1-CG2 3.79Å; I177-V179 HydrophobicContact CG1-CG2 4.29Å |
| 178 | A | 98.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 132.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | L83 T85 F102 I107 S109 I110 F111 | L83-A178 HydrophobicContact CD2-CB 4.49Å; L83-A178 CarbonylContact O-C 3.56Å; L83-A178 WeakPolarHBondContact O-CA 3.5Å; T85-A178 HydrophobicContact CG2-CB 4.34Å; F102-A178 HydrophobicContact CE1-CB 3.79Å; F102-A178 HydrophobicContact CZ-CB 3.7Å; I107-A178 HydrophobicContact CG2-CB 4.07Å; S109-A178 PolarHBondContact O-N 3.22Å; I110-A178 CarbonylContact C-O 3.56Å; I110-A178 WeakPolarHBondContact CA-O 3.34Å; F111-A178 PolarHBondContact N-O 3Å |
| 179 | V | 98.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 129.8 | 177.5 | -170.7 | 0 | 0 | 0 | 0 | 108.8 | I82 L83 T85 F111 M113 I177 T188 I192 | I82-V179 HydrophobicContact CG2-CG2 4.25Å; L83-V179 PolarHBondContact O-N 3.08Å; T85-V179 PolarHBondContact N-O 3.25Å; F111-V179 HydrophobicContact CB-CB 4.36Å; F111-V179 HydrophobicContact CB-CG1 4.16Å; F111-V179 HydrophobicContact CB-CG2 4.13Å; M113-V179 HydrophobicContact CE-CG1 4.16Å; M113-V179 HydrophobicContact CG-CG1 4.16Å; M113-V179 HydrophobicContact SD-CG1 4.39Å; I177-V179 HydrophobicContact CD1-CG2 3.79Å; I177-V179 HydrophobicContact CG1-CG2 4.29Å; V179-T188 HydrophobicContact CB-CG2 4.12Å; V179-T188 HydrophobicContact CG1-CG2 4.01Å; V179-T188 WeakPolarHBondContact O-CG2 3.39Å; V179-I192 HydrophobicContact CB-CD1 4.36Å; V179-I192 HydrophobicContact CG2-CG1 4.48Å |
| 180 | H | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 153 | 179.2 | 80 | 88.2 | 0 | 0 | 0 | 112.5 | T85 F111 N112 M113 Y133 T188 | T85-H180 HydrophobicContact CG2-CB 3.72Å; T85-H180 WeakPolarHBondContact O-CA 3.48Å; T85-H180 WeakPolarHBondContact O-CB 3.35Å; F111-H180 PolarHBondContact O-N 3.45Å; N112-H180 WeakPolarHBondContact CB-NE2 3.29Å; N112-H180 PolarHBondContact OD1-CE1 3.43Å; M113-H180 VanDerWaalsContact CB-O 3.3Å; M113-H180 WeakPolarHBondContact CB-O 3.41Å; M113-H180 VanDerWaalsContact CG-O 3.24Å; M113-H180 WeakPolarHBondContact CG-O 3.47Å; M113-H180 PolarHBondContact N-O 2.96Å; Y133-H180 AromaticContact CE1-CE1 3.72Å; Y133-H180 AromaticContact CE1-NE2 3.59Å; Y133-H180 AromaticContact CZ-NE2 3.55Å; Y133-H180 PolarHBondContact OH-NE2 3.29Å; H180-T188 WeakPolarHBondContact CA-OG1 3.24Å |
| 181 | C | 94 | Very high | 95.6 | Very high | 4 Ų | 4 | 15.8 Ų | 15.8 | 3% | 0.027 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -119 | -131.7 | 159.7 | 62.8 | 0 | 0 | 0 | 0 | 106.4 | R87 M113 Q114 G184 R187 T188 | R87-C181 WeakPolarHBondContact CB-O 3.48Å; M113-C181 HydrophobicContact CB-CB 3.97Å; Q114-C181 VanDerWaalsContact CD-C 3.47Å; Q114-C181 VanDerWaalsContact CG-C 3.47Å; Q114-C181 HydrophobicContact CG-CB 4.45Å; Q114-C181 PolarHBondContact OE1-O 3.01Å; C181-G184 PolarHBondContact SG-N 3.04Å; C181-G184 VanDerWaalsContact SG-N 3.37Å; C181-R187 HydrophobicContact CB-CB 4.07Å; C181-T188 PolarHBondContact N-OG1 3.16Å; C181-T188 PolarHBondContact SG-OG1 3.44Å |
| 182 | H | 93.1 | Very high | 95.7 | Very high | 8 Ų | 8 | 15.9 Ų | 15.9 | 4% | 0.037 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -72.1 | -74.5 | 167.5 | 180 | -117.6 | 0 | 0 | 0 | 112.2 | C54 S86 R87 H119 | C54-H182 VanDerWaalsContact SG-CE1 3.59Å; S86-H182 WeakPolarHBondContact CA-O 3.39Å; R87-H182 PolarHBondContact N-O 3.39Å; R87-H182 PolarHBondContact NE-CD2 3.44Å; H119-H182 AromaticContact CD2-CD2 3.96Å; H119-H182 AromaticContact CD2-CG 3.75Å; H119-H182 AromaticContact CE1-CG 3.94Å; H119-H182 AromaticContact CE1-ND1 3.74Å; H119-H182 AromaticContact CG-CD2 3.65Å; H119-H182 AromaticContact CG-CG 3.83Å; H119-H182 AromaticContact CG-NE2 3.99Å; H119-H182 AromaticContact ND1-CD2 3.91Å; H119-H182 AromaticContact ND1-CE1 3.76Å; H119-H182 AromaticContact ND1-CG 3.91Å; H119-H182 AromaticContact ND1-ND1 3.82Å; H119-H182 AromaticContact ND1-NE2 3.85Å; H119-H182 AromaticContact NE2-CG 3.85Å |
| 183 | A | 92.4 | Very high | 95.8 | Very high | 13 Ų | 13 | 15.7 Ų | 15.7 | 11% | 0.107 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -84.5 | -12 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y56 L185 R215 | Y56-A183 HydrophobicContact CD1-CB 3.98Å; Y56-A183 HydrophobicContact CD2-CB 3.47Å; Y56-A183 VanDerWaalsContact CD2-CB 3.47Å; Y56-A183 HydrophobicContact CE1-CB 4.09Å; Y56-A183 HydrophobicContact CE2-CB 3.57Å; Y56-A183 HydrophobicContact CG-CB 3.67Å; A183-L185 HydrophobicContact CB-CD1 4.25Å; A183-L185 HydrophobicContact CB-CG 4.32Å; A183-R215 PolarHBondContact O-NH2 2.85Å |
| 184 | G | 95.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.061 | C | C | . | . | S | Bend | trans | 71.5 | 30 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | T85 C181 T188 R215 | T85-G184 VanDerWaalsContact O-CA 3.26Å; T85-G184 WeakPolarHBondContact O-CA 3.49Å; C181-G184 PolarHBondContact SG-N 3.04Å; C181-G184 VanDerWaalsContact SG-N 3.37Å; G184-T188 WeakPolarHBondContact CA-OG1 3.41Å; G184-R215 PolarHBondContact O-NE 3.43Å |
| 185 | L | 93.2 | Very high | 96.4 | Very high | 6 Ų | 6 | 5.7 Ų | 5.7 | 3% | 0.031 | 3% | 0.033 | C | C | . | . | S | Bend | trans | -119.7 | -45.4 | -175.8 | -67.2 | 174.4 | 0 | 0 | 0 | 113.8 | Y56 Y74 A183 R215 S218 I219 | Y56-L185 HydrophobicContact CE1-CD1 4.31Å; Y56-L185 WeakPolarHBondContact OH-CD1 3.45Å; Y74-L185 HydrophobicContact CE1-CD2 4.25Å; A183-L185 HydrophobicContact CB-CD1 4.25Å; A183-L185 HydrophobicContact CB-CG 4.32Å; L185-R215 HydrophobicContact CD2-CG 3.99Å; L185-S218 CarbonylContact O-C 3.57Å; L185-S218 VanDerWaalsContact O-CA 3.29Å; L185-S218 WeakPolarHBondContact O-CA 3.41Å; L185-I219 PolarHBondContact O-N 2.93Å |
| 186 | G | 92.3 | Very high | 96.5 | Very high | 5 Ų | 5 | 5.2 Ų | 5.2 | 5% | 0.052 | 3% | 0.028 | C | C | . | . | S | Bend | trans | -76.9 | -92.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T188 G189 V190 | G186-T188 VanDerWaalsContact C-N 3.31Å; G186-T188 PolarHBondContact O-N 3.38Å; G186-G189 PolarHBondContact O-N 3.09Å; G186-V190 PolarHBondContact O-N 2.98Å |
| 187 | R | 93.7 | Very high | 96.5 | Very high | 2 Ų | 2 | 2.2 Ų | 2.2 | 1% | 0.008 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -55.8 | -40.7 | -178.1 | -69.4 | 178.2 | -82.8 | 162.1 | 8.2 | 113.5 | M113 E118 W150 D152 C181 V190 I191 | M113-R187 HydrophobicContact CB-CB 4.18Å; M113-R187 PolarHBondContact O-NH1 3.28Å; E118-R187 IonicContact OE1-CZ 3.06Å; E118-R187 IonicContact OE1-NH1 3.81Å; E118-R187 IonicContact OE1-NH2 2.95Å; E118-R187 PolarHBondContact OE1-NH2 2.74Å; E118-R187 IonicContact OE2-CZ 3.06Å; E118-R187 VanDerWaalsContact OE2-CZ 3.32Å; E118-R187 IonicContact OE2-NH1 3.99Å; E118-R187 PolarHBondContact OE2-NH1 2.97Å; E118-R187 IonicContact OE2-NH2 3.43Å; E118-R187 PolarHBondContact OE2-NH2 3.34Å; E118-R187 VanDerWaalsContact OE2-NH2 3.13Å; W150-R187 HydrophobicContact CD2-CG 4.41Å; W150-R187 HydrophobicContact CH2-CB 3.6Å; W150-R187 HydrophobicContact CH2-CG 3.96Å; W150-R187 HydrophobicContact CZ2-CB 3.41Å; W150-R187 VanDerWaalsContact CZ2-CB 3.41Å; W150-R187 HydrophobicContact CZ2-CG 3.28Å; W150-R187 PolarHBondContact O-NH1 3.1Å; D152-R187 IonicContact OD1-CZ 3.28Å; D152-R187 IonicContact OD1-NE 3.93Å; D152-R187 PolarHBondContact OD1-NE 3.41Å; D152-R187 IonicContact OD1-NH2 3.23Å; D152-R187 PolarHBondContact OD1-NH2 2.89Å; D152-R187 IonicContact OD2-NH2 2.8Å; C181-R187 HydrophobicContact CB-CB 4.07Å; R187-V190 PolarHBondContact O-N 3.4Å; R187-I191 PolarHBondContact O-N 3.5Å |
| 188 | T | 96.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 3.2 Ų | 3.2 | 0% | 0 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -56.7 | -49.2 | 171.9 | -58.2 | 0 | 0 | 0 | 0 | 111.9 | A84 V179 H180 C181 G184 G186 V190 I191 I192 | A84-T188 HydrophobicContact CB-CG2 3.81Å; V179-T188 HydrophobicContact CB-CG2 4.12Å; V179-T188 HydrophobicContact CG1-CG2 4.01Å; V179-T188 WeakPolarHBondContact O-CG2 3.39Å; H180-T188 WeakPolarHBondContact CA-OG1 3.24Å; C181-T188 PolarHBondContact N-OG1 3.16Å; C181-T188 PolarHBondContact SG-OG1 3.44Å; G184-T188 WeakPolarHBondContact CA-OG1 3.41Å; G186-T188 VanDerWaalsContact C-N 3.31Å; G186-T188 PolarHBondContact O-N 3.38Å; T188-V190 VanDerWaalsContact C-N 3.34Å; T188-V190 PolarHBondContact O-N 3.46Å; T188-I191 PolarHBondContact O-N 3.37Å; T188-I192 HydrophobicContact CG2-CD1 3.74Å; T188-I192 WeakPolarHBondContact O-CB 3.03Å; T188-I192 WeakPolarHBondContact O-CG1 3.38Å; T188-I192 PolarHBondContact O-N 2.9Å |
| 189 | G | 97.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 3.5 Ų | 3.5 | 1% | 0.01 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -63.1 | -40.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G186 A193 | G186-G189 PolarHBondContact O-N 3.09Å; G189-A193 VanDerWaalsContact O-CB 3.27Å; G189-A193 WeakPolarHBondContact O-CB 3.36Å; G189-A193 PolarHBondContact O-N 3.46Å |
| 190 | V | 96.5 | Very high | 96 | Very high | 5 Ų | 5 | 4.2 Ų | 4.2 | 3% | 0.03 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -61.1 | -51.3 | 176.9 | 172.2 | 0 | 0 | 0 | 0 | 111.5 | G186 R187 T188 I192 A193 C194 Q224 I228 | G186-V190 PolarHBondContact O-N 2.98Å; R187-V190 PolarHBondContact O-N 3.4Å; T188-V190 VanDerWaalsContact C-N 3.34Å; T188-V190 PolarHBondContact O-N 3.46Å; V190-I192 PolarHBondContact O-N 2.75Å; V190-A193 PolarHBondContact O-N 3.47Å; V190-C194 WeakPolarHBondContact O-CB 3.32Å; V190-C194 PolarHBondContact O-N 3.4Å; V190-C194 PolarHBondContact O-SG 3.48Å; V190-Q224 HydrophobicContact CG2-CB 3.58Å; V190-Q224 HydrophobicContact CG2-CG 3.74Å; V190-I228 HydrophobicContact CG1-CG1 4.16Å; V190-I228 HydrophobicContact CG2-CD1 4.43Å |
| 191 | I | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 6.5 Ų | 6.5 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -67.9 | -38.4 | -177.3 | -70.6 | -66.2 | 0 | 0 | 0 | 111.6 | M113 W150 I161 T164 I168 R187 T188 C194 Y195 | M113-I191 HydrophobicContact SD-CB 4.41Å; M113-I191 HydrophobicContact SD-CG1 3.97Å; M113-I191 HydrophobicContact SD-CG2 4.49Å; W150-I191 HydrophobicContact CH2-CD1 3.84Å; W150-I191 HydrophobicContact CH2-CG1 3.34Å; W150-I191 HydrophobicContact CZ2-CG1 4.31Å; W150-I191 HydrophobicContact CZ3-CD1 4.16Å; W150-I191 HydrophobicContact CZ3-CG1 3.92Å; I161-I191 HydrophobicContact CG1-CD1 4.19Å; I161-I191 HydrophobicContact CG2-CD1 4.21Å; T164-I191 HydrophobicContact CG2-CD1 4.09Å; T164-I191 HydrophobicContact CG2-CG1 4.5Å; T164-I191 HydrophobicContact CG2-CG2 3.78Å; I168-I191 HydrophobicContact CD1-CG2 3.4Å; R187-I191 PolarHBondContact O-N 3.5Å; T188-I191 PolarHBondContact O-N 3.37Å; I191-C194 PolarHBondContact O-N 3.02Å; I191-Y195 WeakPolarHBondContact O-CB 3.3Å; I191-Y195 PolarHBondContact O-N 2.9Å |
| 192 | I | 98.7 | Very high | 95.9 | Very high | 2 Ų | 2 | 7.3 Ų | 7.3 | 1% | 0.01 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -64.7 | -44.5 | 175.1 | -64 | 171.8 | 0 | 0 | 0 | 110.3 | I78 I82 A84 V179 T188 V190 Y195 L196 V211 | I78-I192 HydrophobicContact CB-CG2 4.22Å; I78-I192 HydrophobicContact CG1-CD1 3.94Å; I78-I192 HydrophobicContact CG1-CG2 4.33Å; I78-I192 HydrophobicContact CG2-CG2 3.82Å; I82-I192 HydrophobicContact CG2-CD1 3.77Å; I82-I192 HydrophobicContact CG2-CG1 3.91Å; I82-I192 HydrophobicContact CG2-CG2 4.34Å; A84-I192 HydrophobicContact CB-CD1 3.81Å; V179-I192 HydrophobicContact CB-CD1 4.36Å; V179-I192 HydrophobicContact CG2-CG1 4.48Å; T188-I192 HydrophobicContact CG2-CD1 3.74Å; T188-I192 WeakPolarHBondContact O-CB 3.03Å; T188-I192 WeakPolarHBondContact O-CG1 3.38Å; T188-I192 PolarHBondContact O-N 2.9Å; V190-I192 PolarHBondContact O-N 2.75Å; I192-Y195 WeakPolarHBondContact O-CB 3.17Å; I192-Y195 PolarHBondContact O-N 3.04Å; I192-L196 WeakPolarHBondContact O-CG 3.21Å; I192-L196 PolarHBondContact O-N 2.98Å; I192-V211 HydrophobicContact CG2-CG2 4.01Å |
| 193 | A | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -61.5 | -45.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G189 V190 Y195 L196 V197 A207 V211 I219 I228 | G189-A193 VanDerWaalsContact O-CB 3.27Å; G189-A193 WeakPolarHBondContact O-CB 3.36Å; G189-A193 PolarHBondContact O-N 3.46Å; V190-A193 PolarHBondContact O-N 3.47Å; A193-Y195 VanDerWaalsContact C-N 3.3Å; A193-Y195 PolarHBondContact O-N 3.41Å; A193-L196 PolarHBondContact O-N 3.39Å; A193-V197 WeakPolarHBondContact O-CG2 3.38Å; A193-V197 PolarHBondContact O-N 3.3Å; A193-A207 HydrophobicContact CB-CB 4.15Å; A193-V211 HydrophobicContact CB-CG2 4.11Å; A193-I219 HydrophobicContact CB-CD1 3.88Å; A193-I228 HydrophobicContact CB-CD1 3.74Å; A193-I228 HydrophobicContact CB-CG1 4.28Å; A193-I228 HydrophobicContact CB-CG2 4.27Å |
| 194 | C | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -60.1 | -39.1 | 174.8 | -72.6 | 0 | 0 | 0 | 0 | 112 | I161 V165 V190 I191 V197 F198 F231 | I161-C194 HydrophobicContact CG2-CB 3.54Å; V165-C194 HydrophobicContact CG1-CB 4.08Å; V190-C194 WeakPolarHBondContact O-CB 3.32Å; V190-C194 PolarHBondContact O-N 3.4Å; V190-C194 PolarHBondContact O-SG 3.48Å; I191-C194 PolarHBondContact O-N 3.02Å; C194-V197 PolarHBondContact O-N 3.08Å; C194-F198 WeakPolarHBondContact O-CB 3.47Å; C194-F198 PolarHBondContact O-N 3.36Å; C194-F231 HydrophobicContact CB-CD1 3.59Å; C194-F231 HydrophobicContact CB-CE1 3.75Å; C194-F231 HydrophobicContact CB-CG 4.35Å; C194-F231 WeakPolarHBondContact O-CE1 3.41Å |
| 195 | Y | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -63.1 | -44.3 | 174.3 | 170.1 | -100.9 | 0 | 0 | 0 | 111.6 | E5 I82 V165 I168 Q169 I172 I191 I192 A193 V197 F198 N199 | E5-Y195 HydrophobicContact CG-CE1 3.65Å; I82-Y195 HydrophobicContact CD1-CD1 3.44Å; I82-Y195 VanDerWaalsContact CD1-CD1 3.44Å; I82-Y195 HydrophobicContact CD1-CE1 3.44Å; I82-Y195 VanDerWaalsContact CD1-CE1 3.44Å; I82-Y195 HydrophobicContact CD1-CG 4.46Å; V165-Y195 HydrophobicContact CB-CD2 4.23Å; I168-Y195 HydrophobicContact CB-CD2 4.13Å; I168-Y195 HydrophobicContact CG2-CD1 4.25Å; I168-Y195 HydrophobicContact CG2-CD2 3.42Å; I168-Y195 VanDerWaalsContact CG2-CD2 3.42Å; I168-Y195 HydrophobicContact CG2-CE1 4.43Å; I168-Y195 HydrophobicContact CG2-CE2 3.65Å; I168-Y195 HydrophobicContact CG2-CG 3.74Å; Q169-Y195 HydrophobicContact CB-CE2 3.96Å; Q169-Y195 HydrophobicContact CG-CE2 4.48Å; I172-Y195 HydrophobicContact CD1-CE1 3.74Å; I172-Y195 HydrophobicContact CD1-CE2 4.1Å; I172-Y195 VanDerWaalsContact CD1-CZ 3.44Å; I172-Y195 VanDerWaalsContact CD1-OH 3.25Å; I172-Y195 WeakPolarHBondContact CD1-OH 3.31Å; I191-Y195 WeakPolarHBondContact O-CB 3.3Å; I191-Y195 PolarHBondContact O-N 2.9Å; I192-Y195 WeakPolarHBondContact O-CB 3.17Å; I192-Y195 PolarHBondContact O-N 3.04Å; A193-Y195 VanDerWaalsContact C-N 3.3Å; A193-Y195 PolarHBondContact O-N 3.41Å; Y195-V197 PolarHBondContact O-N 2.98Å; Y195-F198 WeakPolarHBondContact O-CB 3.33Å; Y195-F198 PolarHBondContact O-N 3.45Å; Y195-F198 VanDerWaalsContact O-N 3.16Å; Y195-N199 HydrophobicContact CD2-CB 4.18Å; Y195-N199 HydrophobicContact CE1-CB 4.07Å; Y195-N199 HydrophobicContact CE2-CB 3.69Å; Y195-N199 VanDerWaalsContact O-CB 3.24Å; Y195-N199 WeakPolarHBondContact O-CB 3.42Å; Y195-N199 PolarHBondContact O-N 3.43Å; Y195-N199 PolarHBondContact OH-ND2 3.22Å |
| 196 | L | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -63.8 | -42.1 | 176.6 | -64.8 | -179.8 | 0 | 0 | 0 | 111.6 | E5 L7 T79 I192 A193 F198 N200 I202 A207 Y210 V211 | E5-L196 HydrophobicContact CB-CD2 4.17Å; E5-L196 HydrophobicContact CG-CD2 4.2Å; L7-L196 HydrophobicContact CD2-CD1 4.25Å; L7-L196 HydrophobicContact CD2-CD2 3.93Å; T79-L196 HydrophobicContact CG2-CD2 4.09Å; I192-L196 WeakPolarHBondContact O-CG 3.21Å; I192-L196 PolarHBondContact O-N 2.98Å; A193-L196 PolarHBondContact O-N 3.39Å; L196-F198 VanDerWaalsContact C-N 3.32Å; L196-F198 PolarHBondContact O-N 3.02Å; L196-N200 WeakPolarHBondContact O-CA 3.39Å; L196-N200 VanDerWaalsContact O-CB 3.3Å; L196-N200 WeakPolarHBondContact O-CB 3.25Å; L196-N200 PolarHBondContact O-N 3.25Å; L196-I202 HydrophobicContact CB-CD1 3.91Å; L196-I202 HydrophobicContact CB-CG1 4.35Å; L196-A207 HydrophobicContact CB-CB 4.27Å; L196-Y210 HydrophobicContact CD1-CD1 3.65Å; L196-Y210 HydrophobicContact CD1-CE1 4.29Å; L196-V211 HydrophobicContact CD1-CG2 4.15Å |
| 197 | V | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -55.5 | -51.5 | 171.3 | 174 | 0 | 0 | 0 | 0 | 109 | A193 C194 Y195 R201 A207 I228 E232 L235 R239 | A193-V197 WeakPolarHBondContact O-CG2 3.38Å; A193-V197 PolarHBondContact O-N 3.3Å; C194-V197 PolarHBondContact O-N 3.08Å; Y195-V197 PolarHBondContact O-N 2.98Å; V197-R201 WeakPolarHBondContact O-CA 3.37Å; V197-R201 PolarHBondContact O-N 3.03Å; V197-R201 VanDerWaalsContact O-N 3.09Å; V197-A207 HydrophobicContact CG2-CB 3.69Å; V197-I228 HydrophobicContact CG2-CG2 4.13Å; V197-E232 HydrophobicContact CG1-CB 4.01Å; V197-E232 HydrophobicContact CG1-CG 4.39Å; V197-L235 HydrophobicContact CG1-CD1 4.03Å; V197-R239 PolarHBondContact O-NH2 2.98Å |
| 198 | F | 96.3 | Very high | 96.7 | Very high | 22 Ų | 22 | 12.8 Ų | 12.8 | 10% | 0.096 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -60.4 | -56.3 | -178.3 | 173.7 | -103.8 | 0 | 0 | 0 | 113.6 | L162 V165 Q169 C194 Y195 L196 F231 L235 R239 L260 | L162-F198 HydrophobicContact CD1-CD2 3.91Å; L162-F198 HydrophobicContact CD1-CE2 3.67Å; V165-F198 HydrophobicContact CB-CB 4.44Å; V165-F198 HydrophobicContact CB-CD1 4.31Å; V165-F198 HydrophobicContact CB-CG 4.45Å; V165-F198 HydrophobicContact CG2-CB 3.89Å; V165-F198 HydrophobicContact CG2-CD1 3.85Å; V165-F198 HydrophobicContact CG2-CD2 4.06Å; V165-F198 HydrophobicContact CG2-CE1 4.38Å; V165-F198 HydrophobicContact CG2-CG 3.67Å; Q169-F198 HydrophobicContact CB-CE1 4.42Å; C194-F198 WeakPolarHBondContact O-CB 3.47Å; C194-F198 PolarHBondContact O-N 3.36Å; Y195-F198 WeakPolarHBondContact O-CB 3.33Å; Y195-F198 PolarHBondContact O-N 3.45Å; Y195-F198 VanDerWaalsContact O-N 3.16Å; L196-F198 VanDerWaalsContact C-N 3.32Å; L196-F198 PolarHBondContact O-N 3.02Å; F198-F231 HydrophobicContact CB-CE1 4.22Å; F198-L235 HydrophobicContact CB-CD1 4.03Å; F198-L235 HydrophobicContact CD2-CD1 4.19Å; F198-L235 HydrophobicContact CD2-CD2 3.96Å; F198-R239 PolarHBondContact O-NH2 3.22Å; F198-L260 HydrophobicContact CE2-CD2 3.97Å |
| 199 | N | 95.4 | Very high | 96.6 | Very high | 5 Ų | 5 | 14.1 Ų | 14.1 | 3% | 0.027 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -78.5 | -47.7 | -170.1 | -173.5 | 71.6 | 0 | 0 | 0 | 112.6 | I3 Q169 Y195 P397 | I3-N199 PolarHBondContact O-ND2 3.47Å; I3-N199 PolarHBondContact O-OD1 3.44Å; Q169-N199 PolarHBondContact NE2-OD1 3.39Å; Y195-N199 HydrophobicContact CD2-CB 4.18Å; Y195-N199 HydrophobicContact CE1-CB 4.07Å; Y195-N199 HydrophobicContact CE2-CB 3.69Å; Y195-N199 VanDerWaalsContact O-CB 3.24Å; Y195-N199 WeakPolarHBondContact O-CB 3.42Å; Y195-N199 PolarHBondContact O-N 3.43Å; Y195-N199 PolarHBondContact OH-ND2 3.22Å; N199-P397 WeakPolarHBondContact O-CB 3.45Å |
| 200 | N | 95.4 | Very high | 96.5 | Very high | 16 Ų | 16 | 14.1 Ų | 14.1 | 9% | 0.086 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -90.3 | -8.3 | -177.1 | -68.4 | 59.5 | 0 | 0 | 0 | 113.5 | L4 E5 L196 I202 | L4-N200 HydrophobicContact CD1-CB 4.06Å; E5-N200 PolarHBondContact O-ND2 3.24Å; L196-N200 WeakPolarHBondContact O-CA 3.39Å; L196-N200 VanDerWaalsContact O-CB 3.3Å; L196-N200 WeakPolarHBondContact O-CB 3.25Å; L196-N200 PolarHBondContact O-N 3.25Å; N200-I202 HydrophobicContact CB-CG1 4.43Å; N200-I202 HydrophobicContact CB-CG2 4.04Å; N200-I202 PolarHBondContact O-N 2.98Å; N200-I202 VanDerWaalsContact O-N 3.12Å |
| 201 | R | 94.9 | Very high | 96.6 | Very high | 48 Ų | 48 | 13.9 Ų | 13.9 | 18% | 0.181 | 7% | 0.069 | C | C | . | . | trans | 54.5 | 25.7 | -174.7 | -52.8 | -169.4 | -172 | -177.6 | 15.5 | 114.3 | V197 F393 N394 N395 D396 P397 | V197-R201 WeakPolarHBondContact O-CA 3.37Å; V197-R201 PolarHBondContact O-N 3.03Å; V197-R201 VanDerWaalsContact O-N 3.09Å; R201-F393 PolarHBondContact NH1-O 3.44Å; R201-N394 PolarHBondContact NH1-O 3.15Å; R201-N395 WeakPolarHBondContact CD-O 3.44Å; R201-D396 PolarHBondContact NH1-O 3.4Å; R201-D396 VanDerWaalsContact NH1-O 3.15Å; R201-D396 PolarHBondContact NH2-O 2.82Å; R201-P397 HydrophobicContact CG-CB 4.01Å | ||
| 202 | I | 94.8 | Very high | 96.5 | Very high | 20 Ų | 20 | 15.6 Ų | 15.6 | 10% | 0.103 | 8% | 0.075 | C | C | . | . | trans | -75.8 | 162.5 | 171.3 | 63.1 | 171.3 | 0 | 0 | 0 | 110.8 | L7 L196 N200 E206 A207 | L7-I202 HydrophobicContact CD1-CD1 3.85Å; L7-I202 HydrophobicContact CD1-CG2 4.22Å; L196-I202 HydrophobicContact CB-CD1 3.91Å; L196-I202 HydrophobicContact CB-CG1 4.35Å; N200-I202 HydrophobicContact CB-CG1 4.43Å; N200-I202 HydrophobicContact CB-CG2 4.04Å; N200-I202 PolarHBondContact O-N 2.98Å; N200-I202 VanDerWaalsContact O-N 3.12Å; I202-E206 HydrophobicContact CB-CB 4.34Å; I202-E206 HydrophobicContact CB-CG 4.43Å; I202-E206 HydrophobicContact CD1-CB 4.38Å; I202-E206 HydrophobicContact CD1-CG 4.22Å; I202-A207 HydrophobicContact CD1-CB 3.76Å; I202-A207 HydrophobicContact CG1-CB 4.14Å | ||
| 203 | S | 95.5 | Very high | 96.2 | Very high | 46 Ų | 46 | 17.7 Ų | 17.7 | 32% | 0.322 | 8% | 0.084 | S | C | . | . | trans | -68.8 | 157.2 | 178.6 | 70.3 | 0 | 0 | 0 | 0 | 111.9 | E205 E206 A207 E232 | S203-E205 PolarHBondContact O-N 3.35Å; S203-E206 PolarHBondContact O-N 3.13Å; S203-E206 WeakPolarHBondContact OG-CB 3.37Å; S203-E206 PolarHBondContact OG-N 2.88Å; S203-E206 VanDerWaalsContact OG-N 3.07Å; S203-A207 WeakPolarHBondContact O-CB 3.48Å; S203-A207 PolarHBondContact O-N 2.89Å; S203-E232 WeakPolarHBondContact CA-OE1 3.23Å; S203-E232 WeakPolarHBondContact CB-OE1 3.23Å | ||
| 204 | A | 96.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -54.9 | -40 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A207 I208 I228 Y229 E232 | A204-A207 PolarHBondContact O-N 3.28Å; A204-I208 VanDerWaalsContact O-CD1 3.28Å; A204-I208 WeakPolarHBondContact O-CD1 3.47Å; A204-I208 WeakPolarHBondContact O-CG1 3.32Å; A204-I208 PolarHBondContact O-N 3Å; A204-I228 HydrophobicContact CB-CG2 3.79Å; A204-Y229 HydrophobicContact CB-CD1 3.6Å; A204-Y229 HydrophobicContact CB-CD2 4.38Å; A204-Y229 HydrophobicContact CB-CE1 3.89Å; A204-Y229 HydrophobicContact CB-CG 3.89Å; A204-E232 HydrophobicContact CB-CB 4.06Å; A204-E232 WeakPolarHBondContact CB-OE2 3.06Å; A204-E232 PolarHBondContact N-OE1 3.24Å |
| 205 | E | 95.2 | Very high | 95.9 | Very high | 56 Ų | 56 | 21.4 Ų | 21.4 | 26% | 0.262 | 10% | 0.098 | S | C | . | . | H | α-helix | trans | -60.6 | -52.8 | 177.1 | 176.7 | 149.7 | -143.9 | 0 | 0 | 112.6 | V24 S203 A207 I208 Q209 | V24-E205 HydrophobicContact CG2-CG 3.85Å; S203-E205 PolarHBondContact O-N 3.35Å; E205-A207 VanDerWaalsContact C-N 3.31Å; E205-A207 PolarHBondContact O-N 2.92Å; E205-I208 PolarHBondContact O-N 3.08Å; E205-Q209 WeakPolarHBondContact O-CB 3.2Å; E205-Q209 VanDerWaalsContact O-CG 3.28Å; E205-Q209 WeakPolarHBondContact O-CG 3.26Å; E205-Q209 PolarHBondContact O-N 2.84Å |
| 206 | E | 94.2 | Very high | 95.7 | Very high | 48 Ų | 48 | 25.7 Ų | 25.7 | 22% | 0.224 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62 | -41 | 179.6 | -173.6 | 172.7 | -165.5 | 0 | 0 | 110.8 | W9 R14 I202 S203 Q209 Y210 | W9-E206 HydrophobicContact CZ2-CG 3.92Å; R14-E206 IonicContact NH2-OE1 2.88Å; R14-E206 PolarHBondContact NH2-OE1 2.95Å; I202-E206 HydrophobicContact CB-CB 4.34Å; I202-E206 HydrophobicContact CB-CG 4.43Å; I202-E206 HydrophobicContact CD1-CB 4.38Å; I202-E206 HydrophobicContact CD1-CG 4.22Å; S203-E206 PolarHBondContact O-N 3.13Å; S203-E206 WeakPolarHBondContact OG-CB 3.37Å; S203-E206 PolarHBondContact OG-N 2.88Å; S203-E206 VanDerWaalsContact OG-N 3.07Å; E206-Q209 PolarHBondContact O-N 3.1Å; E206-Y210 VanDerWaalsContact O-CB 3.3Å; E206-Y210 WeakPolarHBondContact O-CB 3.44Å; E206-Y210 PolarHBondContact O-N 3.22Å |
| 207 | A | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.5 | -46.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A193 L196 V197 I202 S203 A204 E205 Y210 V211 | A193-A207 HydrophobicContact CB-CB 4.15Å; L196-A207 HydrophobicContact CB-CB 4.27Å; V197-A207 HydrophobicContact CG2-CB 3.69Å; I202-A207 HydrophobicContact CD1-CB 3.76Å; I202-A207 HydrophobicContact CG1-CB 4.14Å; S203-A207 WeakPolarHBondContact O-CB 3.48Å; S203-A207 PolarHBondContact O-N 2.89Å; A204-A207 PolarHBondContact O-N 3.28Å; E205-A207 VanDerWaalsContact C-N 3.31Å; E205-A207 PolarHBondContact O-N 2.92Å; A207-Y210 PolarHBondContact O-N 3.31Å; A207-V211 VanDerWaalsContact O-CG2 3.32Å; A207-V211 WeakPolarHBondContact O-CG2 3.33Å; A207-V211 PolarHBondContact O-N 2.99Å |
| 208 | I | 96.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.8 | -47.2 | 178.5 | -65.9 | 158.4 | 0 | 0 | 0 | 110.4 | V24 A204 E205 Y210 V211 R212 I219 V225 I228 Y229 | V24-I208 HydrophobicContact CG1-CB 4.44Å; V24-I208 HydrophobicContact CG1-CG2 3.63Å; A204-I208 VanDerWaalsContact O-CD1 3.28Å; A204-I208 WeakPolarHBondContact O-CD1 3.47Å; A204-I208 WeakPolarHBondContact O-CG1 3.32Å; A204-I208 PolarHBondContact O-N 3Å; E205-I208 PolarHBondContact O-N 3.08Å; I208-Y210 VanDerWaalsContact C-N 3.3Å; I208-Y210 PolarHBondContact O-N 2.77Å; I208-V211 PolarHBondContact O-N 2.97Å; I208-R212 HydrophobicContact CG2-CG 4.49Å; I208-R212 WeakPolarHBondContact O-CB 3.32Å; I208-R212 WeakPolarHBondContact O-CG 3.43Å; I208-R212 PolarHBondContact O-N 3.31Å; I208-I219 HydrophobicContact CB-CD1 4.16Å; I208-I219 HydrophobicContact CG1-CD1 4.06Å; I208-I219 HydrophobicContact CG2-CB 4.47Å; I208-I219 HydrophobicContact CG2-CD1 3.91Å; I208-I219 HydrophobicContact CG2-CG2 4.31Å; I208-V225 HydrophobicContact CD1-CG1 3.98Å; I208-I228 HydrophobicContact CD1-CB 4.3Å; I208-I228 HydrophobicContact CD1-CD1 4.02Å; I208-I228 HydrophobicContact CD1-CG2 4.4Å; I208-I228 HydrophobicContact CG1-CB 4.43Å; I208-I228 HydrophobicContact CG1-CD1 3.52Å; I208-I228 HydrophobicContact CG1-CG2 4.27Å; I208-Y229 HydrophobicContact CD1-CD2 4.5Å; I208-Y229 HydrophobicContact CD1-CE2 4.15Å |
| 209 | Q | 94.7 | Very high | 95.1 | Very high | 27 Ų | 27 | 26.1 Ų | 26.1 | 13% | 0.126 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61 | -41.7 | 179.3 | -72.4 | 172.4 | -4.3 | 0 | 0 | 111.1 | W9 L17 V24 E205 E206 R212 F213 | W9-Q209 HydrophobicContact CH2-CB 3.96Å; L17-Q209 HydrophobicContact CD1-CB 3.92Å; L17-Q209 HydrophobicContact CD1-CG 4.26Å; L17-Q209 HydrophobicContact CD2-CG 4.09Å; V24-Q209 HydrophobicContact CG2-CG 3.78Å; E205-Q209 WeakPolarHBondContact O-CB 3.2Å; E205-Q209 VanDerWaalsContact O-CG 3.28Å; E205-Q209 WeakPolarHBondContact O-CG 3.26Å; E205-Q209 PolarHBondContact O-N 2.84Å; E206-Q209 PolarHBondContact O-N 3.1Å; Q209-R212 PolarHBondContact O-N 3.39Å; Q209-F213 VanDerWaalsContact O-CB 3.28Å; Q209-F213 WeakPolarHBondContact O-CB 3.37Å; Q209-F213 PolarHBondContact O-N 2.9Å |
| 210 | Y | 96.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.1 | -47.2 | 179.3 | -174.4 | -106.7 | 0 | 0 | 0 | 112.2 | L7 N8 W9 I78 T79 L196 E206 A207 I208 R212 F213 R214 | L7-Y210 WeakPolarHBondContact CA-OH 3.38Å; L7-Y210 HydrophobicContact CB-CD2 4.31Å; L7-Y210 HydrophobicContact CB-CE1 4.45Å; L7-Y210 HydrophobicContact CB-CE2 3.89Å; L7-Y210 HydrophobicContact CD2-CD1 3.95Å; L7-Y210 HydrophobicContact CD2-CE1 3.64Å; N8-Y210 PolarHBondContact N-OH 2.7Å; W9-Y210 AromaticContact CD2-CD2 3.68Å; W9-Y210 HydrophobicContact CD2-CD2 3.68Å; W9-Y210 HydrophobicContact CD2-CE2 4.2Å; W9-Y210 AromaticContact CE2-CD2 3.48Å; W9-Y210 VanDerWaalsContact CE2-CD2 3.48Å; W9-Y210 AromaticContact CE3-CD2 3.93Å; W9-Y210 HydrophobicContact CE3-CD2 3.93Å; W9-Y210 HydrophobicContact CG-CD2 4.28Å; W9-Y210 HydrophobicContact CG-CE2 4.37Å; W9-Y210 AromaticContact CH2-CD2 3.95Å; W9-Y210 HydrophobicContact CH2-CD2 3.95Å; W9-Y210 HydrophobicContact CH2-CG 4.3Å; W9-Y210 VanDerWaalsContact CH2-N 3.29Å; W9-Y210 AromaticContact CZ2-CD2 3.65Å; W9-Y210 HydrophobicContact CZ2-CD2 3.65Å; W9-Y210 HydrophobicContact CZ2-CG 4.07Å; W9-Y210 HydrophobicContact CZ3-CD2 4.03Å; W9-Y210 AromaticContact NE1-CD2 3.87Å; I78-Y210 HydrophobicContact CG2-CD1 4.25Å; I78-Y210 HydrophobicContact CG2-CE1 4.02Å; I78-Y210 WeakPolarHBondContact O-CE1 3.46Å; I78-Y210 PolarHBondContact O-OH 3.46Å; I78-Y210 VanDerWaalsContact O-OH 3.09Å; T79-Y210 HydrophobicContact CG2-CE1 4.27Å; L196-Y210 HydrophobicContact CD1-CD1 3.65Å; L196-Y210 HydrophobicContact CD1-CE1 4.29Å; E206-Y210 VanDerWaalsContact O-CB 3.3Å; E206-Y210 WeakPolarHBondContact O-CB 3.44Å; E206-Y210 PolarHBondContact O-N 3.22Å; A207-Y210 PolarHBondContact O-N 3.31Å; I208-Y210 VanDerWaalsContact C-N 3.3Å; I208-Y210 PolarHBondContact O-N 2.77Å; Y210-R212 VanDerWaalsContact C-N 3.32Å; Y210-R212 PolarHBondContact O-N 2.89Å; Y210-F213 HydrophobicContact CD2-CD1 4.47Å; Y210-F213 HydrophobicContact CE2-CD1 4.48Å; Y210-F213 WeakPolarHBondContact O-CB 3.45Å; Y210-F213 PolarHBondContact O-N 3.36Å; Y210-R214 HydrophobicContact CD1-CG 4.28Å; Y210-R214 HydrophobicContact CD2-CG 4.41Å; Y210-R214 HydrophobicContact CE1-CG 3.81Å; Y210-R214 HydrophobicContact CE2-CG 3.97Å; Y210-R214 WeakPolarHBondContact O-CG 3.45Å; Y210-R214 PolarHBondContact O-N 3.41Å |
| 211 | V | 97.6 | Very high | 94.3 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.2 | -41.8 | 178.4 | 173.8 | 0 | 0 | 0 | 0 | 110.7 | I78 I192 A193 L196 A207 I208 R214 R215 I219 | I78-V211 HydrophobicContact CG2-CG2 4.2Å; I192-V211 HydrophobicContact CG2-CG2 4.01Å; A193-V211 HydrophobicContact CB-CG2 4.11Å; L196-V211 HydrophobicContact CD1-CG2 4.15Å; A207-V211 VanDerWaalsContact O-CG2 3.32Å; A207-V211 WeakPolarHBondContact O-CG2 3.33Å; A207-V211 PolarHBondContact O-N 2.99Å; I208-V211 PolarHBondContact O-N 2.97Å; V211-R214 PolarHBondContact O-N 3.33Å; V211-R215 PolarHBondContact O-N 3.21Å; V211-I219 HydrophobicContact CB-CD1 4.1Å; V211-I219 HydrophobicContact CG1-CD1 4.08Å |
| 212 | R | 95.5 | Very high | 94 | Very high | 35 Ų | 35 | 28.9 Ų | 28.9 | 13% | 0.132 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.7 | -35.6 | 175.6 | -76.5 | 178.7 | 175.8 | 177.2 | 4.8 | 113.2 | K25 I208 Q209 Y210 R215 P216 S218 I219 | K25-R212 PolarHBondContact O-NH1 2.88Å; K25-R212 PolarHBondContact O-NH2 3.29Å; I208-R212 HydrophobicContact CG2-CG 4.49Å; I208-R212 WeakPolarHBondContact O-CB 3.32Å; I208-R212 WeakPolarHBondContact O-CG 3.43Å; I208-R212 PolarHBondContact O-N 3.31Å; Q209-R212 PolarHBondContact O-N 3.39Å; Y210-R212 VanDerWaalsContact C-N 3.32Å; Y210-R212 PolarHBondContact O-N 2.89Å; R212-R215 CarbonylContact O-C 3.19Å; R212-P216 WeakPolarHBondContact O-CA 3.36Å; R212-S218 WeakPolarHBondContact CG-O 3.43Å; R212-S218 PolarHBondContact NE-O 3.4Å; R212-S218 VanDerWaalsContact NE-O 3.13Å; R212-I219 PolarHBondContact NE-O 2.86Å; R212-I219 PolarHBondContact NH2-O 3.39Å |
| 213 | F | 94.1 | Very high | 93.7 | Very high | 46 Ų | 46 | 31.8 Ų | 31.8 | 20% | 0.202 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.8 | -48.6 | 174.4 | 167.4 | -110.2 | 0 | 0 | 0 | 111.4 | W9 D10 Y13 Q209 Y210 | W9-F213 HydrophobicContact CE3-CB 4.41Å; W9-F213 AromaticContact CE3-CD1 3.88Å; W9-F213 HydrophobicContact CE3-CD1 3.88Å; W9-F213 HydrophobicContact CE3-CE1 4.46Å; W9-F213 HydrophobicContact CE3-CG 4.13Å; W9-F213 HydrophobicContact CZ3-CB 3.94Å; W9-F213 HydrophobicContact CZ3-CD1 4.23Å; W9-F213 HydrophobicContact CZ3-CG 4.15Å; D10-F213 HydrophobicContact CB-CE1 4.49Å; D10-F213 HydrophobicContact CB-CE2 3.71Å; D10-F213 HydrophobicContact CB-CZ 3.43Å; D10-F213 VanDerWaalsContact CB-CZ 3.43Å; Y13-F213 HydrophobicContact CD1-CB 3.97Å; Y13-F213 AromaticContact CD1-CD2 3.57Å; Y13-F213 HydrophobicContact CD1-CD2 3.57Å; Y13-F213 HydrophobicContact CD1-CE2 4.32Å; Y13-F213 AromaticContact CD1-CG 3.84Å; Y13-F213 HydrophobicContact CD1-CG 3.84Å; Y13-F213 AromaticContact CD2-CD2 3.68Å; Y13-F213 HydrophobicContact CD2-CD2 3.68Å; Y13-F213 HydrophobicContact CD2-CE2 4.24Å; Y13-F213 HydrophobicContact CE1-CB 3.57Å; Y13-F213 AromaticContact CE1-CD2 3.93Å; Y13-F213 HydrophobicContact CE1-CD2 3.93Å; Y13-F213 AromaticContact CE1-CG 3.97Å; Y13-F213 HydrophobicContact CE1-CG 3.97Å; Y13-F213 HydrophobicContact CE2-CD2 4.04Å; Y13-F213 AromaticContact CG-CD2 3.43Å; Y13-F213 HydrophobicContact CG-CD2 3.43Å; Y13-F213 VanDerWaalsContact CG-CD2 3.43Å; Y13-F213 AromaticContact CG-CE2 3.88Å; Y13-F213 HydrophobicContact CG-CE2 3.88Å; Y13-F213 HydrophobicContact CG-CG 4.18Å; Q209-F213 VanDerWaalsContact O-CB 3.28Å; Q209-F213 WeakPolarHBondContact O-CB 3.37Å; Q209-F213 PolarHBondContact O-N 2.9Å; Y210-F213 HydrophobicContact CD2-CD1 4.47Å; Y210-F213 HydrophobicContact CE2-CD1 4.48Å; Y210-F213 WeakPolarHBondContact O-CB 3.45Å; Y210-F213 PolarHBondContact O-N 3.36Å |
| 214 | R | 95.2 | Very high | 93.5 | Very high | 78 Ų | 78 | 29.9 Ų | 29.9 | 29% | 0.294 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -70.9 | -38.3 | -179.7 | -65.8 | -63.9 | -61.2 | 154.1 | 3 | 112.5 | T76 W77 I78 Y210 V211 | T76-R214 WeakPolarHBondContact CG2-O 3.34Å; W77-R214 PolarHBondContact O-NE 2.95Å; W77-R214 VanDerWaalsContact O-NE 3.16Å; W77-R214 PolarHBondContact O-NH2 3.04Å; I78-R214 HydrophobicContact CD1-CB 3.92Å; I78-R214 HydrophobicContact CG2-CB 4.32Å; I78-R214 HydrophobicContact CG2-CG 4.44Å; I78-R214 WeakPolarHBondContact O-CG 3.31Å; I78-R214 PolarHBondContact O-NE 2.95Å; Y210-R214 HydrophobicContact CD1-CG 4.28Å; Y210-R214 HydrophobicContact CD2-CG 4.41Å; Y210-R214 HydrophobicContact CE1-CG 3.81Å; Y210-R214 HydrophobicContact CE2-CG 3.97Å; Y210-R214 WeakPolarHBondContact O-CG 3.45Å; Y210-R214 PolarHBondContact O-N 3.41Å; V211-R214 PolarHBondContact O-N 3.33Å |
| 215 | R | 95.3 | Very high | 93.4 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 0% | 0.004 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -135 | 90.3 | -179.2 | -173.4 | 172.7 | 178.6 | 84 | -11 | 110.3 | Y74 T76 I78 A183 G184 L185 V211 R212 S218 | Y74-R215 PolarHBondContact O-NH1 2.7Å; Y74-R215 PolarHBondContact O-NH2 3.01Å; T76-R215 PolarHBondContact OG1-NH1 3.44Å; I78-R215 HydrophobicContact CD1-CB 3.53Å; A183-R215 PolarHBondContact O-NH2 2.85Å; G184-R215 PolarHBondContact O-NE 3.43Å; L185-R215 HydrophobicContact CD2-CG 3.99Å; V211-R215 PolarHBondContact O-N 3.21Å; R212-R215 CarbonylContact O-C 3.19Å; R215-S218 WeakPolarHBondContact O-CB 3.22Å; R215-S218 PolarHBondContact O-N 3.31Å; R215-S218 PolarHBondContact O-OG 3.42Å |
| 216 | P | 92.7 | Very high | 93.3 | Very high | 90 Ų | 90 | 28.7 Ų | 28.7 | 58% | 0.584 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 141.5 | -179.7 | -28.8 | 36.4 | 0 | 0 | 0 | 112.8 | R212 S218 | R212-P216 WeakPolarHBondContact O-CA 3.36Å; P216-S218 VanDerWaalsContact C-N 3.33Å |
| 217 | G | 91.4 | Very high | 93.3 | Very high | 30 Ų | 30 | 26.6 Ų | 26.6 | 31% | 0.309 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | -2.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q220 | G217-Q220 WeakPolarHBondContact O-CG 3.5Š|
| 218 | S | 95.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.007 | 15% | 0.145 | C | C | . | . | trans | -70.4 | 150.2 | 176.1 | -60.6 | 0 | 0 | 0 | 0 | 112.6 | L185 R212 R215 P216 | L185-S218 CarbonylContact O-C 3.57Å; L185-S218 VanDerWaalsContact O-CA 3.29Å; L185-S218 WeakPolarHBondContact O-CA 3.41Å; R212-S218 WeakPolarHBondContact CG-O 3.43Å; R212-S218 PolarHBondContact NE-O 3.4Å; R212-S218 VanDerWaalsContact NE-O 3.13Å; R215-S218 WeakPolarHBondContact O-CB 3.22Å; R215-S218 PolarHBondContact O-N 3.31Å; R215-S218 PolarHBondContact O-OG 3.42Å; P216-S218 VanDerWaalsContact C-N 3.33Å | ||
| 219 | I | 93.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | S | Bend | trans | 58.4 | 79.4 | 177.7 | -52 | 161.5 | 0 | 0 | 0 | 110 | L185 A193 I208 V211 R212 Q224 V225 I228 | L185-I219 PolarHBondContact O-N 2.93Å; A193-I219 HydrophobicContact CB-CD1 3.88Å; I208-I219 HydrophobicContact CB-CD1 4.16Å; I208-I219 HydrophobicContact CG1-CD1 4.06Å; I208-I219 HydrophobicContact CG2-CB 4.47Å; I208-I219 HydrophobicContact CG2-CD1 3.91Å; I208-I219 HydrophobicContact CG2-CG2 4.31Å; V211-I219 HydrophobicContact CB-CD1 4.1Å; V211-I219 HydrophobicContact CG1-CD1 4.08Å; R212-I219 PolarHBondContact NE-O 2.86Å; R212-I219 PolarHBondContact NH2-O 3.39Å; I219-Q224 HydrophobicContact CG2-CB 4.02Å; I219-V225 HydrophobicContact CG2-CG2 3.82Å; I219-I228 HydrophobicContact CD1-CD1 3.85Å; I219-I228 HydrophobicContact CG1-CD1 4.27Å; I219-I228 HydrophobicContact CG2-CD1 3.89Å |
| 220 | Q | 87.2 | Confident | 93.3 | Very high | 41 Ų | 41 | 34.1 Ų | 34.1 | 19% | 0.192 | 18% | 0.177 | C | C | . | . | trans | -88 | -40.4 | -161 | -62.2 | 176.9 | -72.2 | 0 | 0 | 113.4 | L27 N28 G217 | L27-Q220 PolarHBondContact N-O 3.45Å; N28-Q220 PolarHBondContact N-O 3.24Å; N28-Q220 VanDerWaalsContact N-O 3.15Å; G217-Q220 WeakPolarHBondContact O-CG 3.5Å | ||
| 221 | T | 87.8 | Confident | 93.3 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 3% | 0.025 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -103.1 | 159.8 | -169.1 | 75.2 | 0 | 0 | 0 | 0 | 112.8 | D33 Y153 N223 Q224 V225 | D33-T221 VanDerWaalsContact OD1-CG2 3.29Å; D33-T221 WeakPolarHBondContact OD1-CG2 3.35Å; D33-T221 WeakPolarHBondContact OD2-CA 3.04Å; D33-T221 VanDerWaalsContact OD2-CB 3.29Å; D33-T221 WeakPolarHBondContact OD2-CB 3.32Å; Y153-T221 HydrophobicContact CD1-CG2 4.19Å; T221-N223 VanDerWaalsContact C-N 3.26Å; T221-N223 PolarHBondContact O-N 3.03Å; T221-Q224 PolarHBondContact O-N 3.06Å; T221-Q224 VanDerWaalsContact OG1-CG 3.3Å; T221-Q224 WeakPolarHBondContact OG1-CG 3.22Å; T221-Q224 PolarHBondContact OG1-N 2.9Å; T221-V225 PolarHBondContact O-N 3.38Å; T221-V225 VanDerWaalsContact O-N 3.15Å |
| 222 | Q | 88.2 | Confident | 93.3 | Very high | 81 Ų | 81 | 36.4 Ų | 36.4 | 38% | 0.379 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.7 | -34.6 | 174.1 | -73.6 | -62.4 | -16 | 0 | 0 | 112.2 | S26 Q224 V225 G226 | S26-Q222 VanDerWaalsContact CB-NE2 3.32Å; S26-Q222 WeakPolarHBondContact OG-CG 3.48Å; S26-Q222 PolarHBondContact OG-NE2 2.88Å; Q222-Q224 VanDerWaalsContact C-N 3.31Å; Q222-Q224 PolarHBondContact O-N 2.95Å; Q222-V225 PolarHBondContact O-N 3.15Å; Q222-G226 PolarHBondContact O-N 2.99Å |
| 223 | N | 88.9 | Confident | 93.2 | Very high | 82 Ų | 82 | 42.1 Ų | 42.1 | 44% | 0.439 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.6 | -38.4 | 177.5 | -73.6 | -7.8 | 0 | 0 | 0 | 111.8 | Q37 V155 T221 C227 | Q37-N223 PolarHBondContact NE2-ND2 2.92Å; V155-N223 HydrophobicContact CG2-CB 3.88Å; V155-N223 WeakPolarHBondContact CG2-O 3.5Å; T221-N223 VanDerWaalsContact C-N 3.26Å; T221-N223 PolarHBondContact O-N 3.03Å; N223-C227 VanDerWaalsContact O-CB 3.32Å; N223-C227 WeakPolarHBondContact O-CB 3.5Å; N223-C227 PolarHBondContact O-N 3.1Å |
| 224 | Q | 91.5 | Very high | 93.2 | Very high | 6 Ų | 6 | 42.5 Ų | 42.5 | 3% | 0.028 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.1 | -43.7 | 175.7 | -71.6 | 171.6 | -5.2 | 0 | 0 | 111.9 | V190 I219 T221 Q222 C227 I228 | V190-Q224 HydrophobicContact CG2-CB 3.58Å; V190-Q224 HydrophobicContact CG2-CG 3.74Å; I219-Q224 HydrophobicContact CG2-CB 4.02Å; T221-Q224 PolarHBondContact O-N 3.06Å; T221-Q224 VanDerWaalsContact OG1-CG 3.3Å; T221-Q224 WeakPolarHBondContact OG1-CG 3.22Å; T221-Q224 PolarHBondContact OG1-N 2.9Å; Q222-Q224 VanDerWaalsContact C-N 3.31Å; Q222-Q224 PolarHBondContact O-N 2.95Å; Q224-C227 WeakPolarHBondContact O-CB 3.27Å; Q224-C227 PolarHBondContact O-N 3.32Å; Q224-I228 WeakPolarHBondContact O-CG1 3.13Å; Q224-I228 PolarHBondContact O-N 3.28Å |
| 225 | V | 93.2 | Very high | 93.2 | Very high | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.024 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.9 | -50.1 | 173.3 | 170.5 | 0 | 0 | 0 | 0 | 110.6 | I208 I219 T221 Q222 C227 I228 Y229 | I208-V225 HydrophobicContact CD1-CG1 3.98Å; I219-V225 HydrophobicContact CG2-CG2 3.82Å; T221-V225 PolarHBondContact O-N 3.38Å; T221-V225 VanDerWaalsContact O-N 3.15Å; Q222-V225 PolarHBondContact O-N 3.15Å; V225-C227 VanDerWaalsContact C-N 3.28Å; V225-C227 PolarHBondContact O-N 2.84Å; V225-I228 PolarHBondContact O-N 2.96Å; V225-I228 VanDerWaalsContact O-N 3.16Å; V225-Y229 HydrophobicContact CG1-CD2 3.92Å; V225-Y229 HydrophobicContact CG1-CE2 3.77Å; V225-Y229 WeakPolarHBondContact O-CD2 3.42Å; V225-Y229 PolarHBondContact O-N 3.28Å |
| 226 | G | 93.3 | Very high | 93 | Very high | 27 Ų | 27 | 45.6 Ų | 45.6 | 28% | 0.278 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.1 | -32.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q222 K230 | Q222-G226 PolarHBondContact O-N 2.99Å; G226-K230 WeakPolarHBondContact O-CB 3.29Å; G226-K230 VanDerWaalsContact O-CG 3.28Å; G226-K230 WeakPolarHBondContact O-CG 3.45Å; G226-K230 PolarHBondContact O-N 3.4Å |
| 227 | C | 94.4 | Very high | 92.7 | Very high | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.02 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.2 | -47.5 | 172.9 | 174.7 | 0 | 0 | 0 | 0 | 111.8 | V155 I161 N223 Q224 V225 K230 F231 | V155-C227 HydrophobicContact CB-CB 4.5Å; V155-C227 HydrophobicContact CG1-CB 3.55Å; V155-C227 VanDerWaalsContact CG1-SG 3.51Å; V155-C227 HydrophobicContact CG2-CB 4.17Å; I161-C227 WeakPolarHBondContact CD1-SG 3.49Å; N223-C227 VanDerWaalsContact O-CB 3.32Å; N223-C227 WeakPolarHBondContact O-CB 3.5Å; N223-C227 PolarHBondContact O-N 3.1Å; Q224-C227 WeakPolarHBondContact O-CB 3.27Å; Q224-C227 PolarHBondContact O-N 3.32Å; V225-C227 VanDerWaalsContact C-N 3.28Å; V225-C227 PolarHBondContact O-N 2.84Å; C227-K230 WeakPolarHBondContact O-CB 3.46Å; C227-K230 PolarHBondContact O-N 3.45Å; C227-F231 WeakPolarHBondContact O-CB 3.32Å; C227-F231 PolarHBondContact O-N 2.89Å |
| 228 | I | 96.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.8 | -41.8 | -177.4 | -57.6 | 159.3 | 0 | 0 | 0 | 110.4 | V190 A193 V197 A204 I208 I219 Q224 V225 K230 F231 E232 | V190-I228 HydrophobicContact CG1-CG1 4.16Å; V190-I228 HydrophobicContact CG2-CD1 4.43Å; A193-I228 HydrophobicContact CB-CD1 3.74Å; A193-I228 HydrophobicContact CB-CG1 4.28Å; A193-I228 HydrophobicContact CB-CG2 4.27Å; V197-I228 HydrophobicContact CG2-CG2 4.13Å; A204-I228 HydrophobicContact CB-CG2 3.79Å; I208-I228 HydrophobicContact CD1-CB 4.3Å; I208-I228 HydrophobicContact CD1-CD1 4.02Å; I208-I228 HydrophobicContact CD1-CG2 4.4Å; I208-I228 HydrophobicContact CG1-CB 4.43Å; I208-I228 HydrophobicContact CG1-CD1 3.52Å; I208-I228 HydrophobicContact CG1-CG2 4.27Å; I219-I228 HydrophobicContact CD1-CD1 3.85Å; I219-I228 HydrophobicContact CG1-CD1 4.27Å; I219-I228 HydrophobicContact CG2-CD1 3.89Å; Q224-I228 WeakPolarHBondContact O-CG1 3.13Å; Q224-I228 PolarHBondContact O-N 3.28Å; V225-I228 PolarHBondContact O-N 2.96Å; V225-I228 VanDerWaalsContact O-N 3.16Å; I228-K230 PolarHBondContact O-N 3.38Å; I228-F231 WeakPolarHBondContact O-CB 3.4Å; I228-F231 PolarHBondContact O-N 2.84Å; I228-E232 PolarHBondContact O-N 3.16Å |
| 229 | Y | 96.1 | Very high | 92.4 | Very high | 54 Ų | 54 | 47.5 Ų | 47.5 | 21% | 0.212 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.6 | -38.6 | 173 | -81.4 | -74.7 | 0 | 0 | 0 | 113.1 | A204 I208 V225 F231 K233 | A204-Y229 HydrophobicContact CB-CD1 3.6Å; A204-Y229 HydrophobicContact CB-CD2 4.38Å; A204-Y229 HydrophobicContact CB-CE1 3.89Å; A204-Y229 HydrophobicContact CB-CG 3.89Å; I208-Y229 HydrophobicContact CD1-CD2 4.5Å; I208-Y229 HydrophobicContact CD1-CE2 4.15Å; V225-Y229 HydrophobicContact CG1-CD2 3.92Å; V225-Y229 HydrophobicContact CG1-CE2 3.77Å; V225-Y229 WeakPolarHBondContact O-CD2 3.42Å; V225-Y229 PolarHBondContact O-N 3.28Å; Y229-F231 VanDerWaalsContact C-N 3.29Å; Y229-K233 WeakPolarHBondContact O-CG 3.28Å; Y229-K233 PolarHBondContact O-N 2.99Å; Y229-K233 VanDerWaalsContact O-N 3.14Å |
| 230 | K | 95.9 | Very high | 92.4 | Very high | 132 Ų | 132 | 48.4 Ų | 48.4 | 57% | 0.574 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -64.1 | -38.2 | 173.6 | -75.2 | 173.8 | -179.1 | 179.8 | 0 | 110.8 | L158 G226 C227 I228 K233 Y234 | L158-K230 HydrophobicContact CD1-CB 4.28Å; L158-K230 HydrophobicContact CD2-CB 3.93Å; G226-K230 WeakPolarHBondContact O-CB 3.29Å; G226-K230 VanDerWaalsContact O-CG 3.28Å; G226-K230 WeakPolarHBondContact O-CG 3.45Å; G226-K230 PolarHBondContact O-N 3.4Å; C227-K230 WeakPolarHBondContact O-CB 3.46Å; C227-K230 PolarHBondContact O-N 3.45Å; I228-K230 PolarHBondContact O-N 3.38Å; K230-K233 PolarHBondContact O-N 2.96Å; K230-Y234 VanDerWaalsContact O-CB 3.28Å; K230-Y234 WeakPolarHBondContact O-CB 3.16Å; K230-Y234 PolarHBondContact O-N 3.39Å |
| 231 | F | 96.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.6 | -43.6 | 178 | -172.7 | -112.8 | 0 | 0 | 0 | 112.7 | L158 I161 L162 V165 C194 F198 C227 I228 Y229 K233 Y234 L235 | L158-F231 HydrophobicContact CD2-CB 4.18Å; L158-F231 HydrophobicContact CD2-CD2 4.44Å; I161-F231 HydrophobicContact CB-CD2 4Å; I161-F231 HydrophobicContact CB-CE2 3.94Å; I161-F231 HydrophobicContact CG2-CD1 4.09Å; I161-F231 HydrophobicContact CG2-CD2 3.61Å; I161-F231 HydrophobicContact CG2-CE1 4Å; I161-F231 HydrophobicContact CG2-CE2 3.53Å; I161-F231 HydrophobicContact CG2-CG 3.9Å; I161-F231 HydrophobicContact CG2-CZ 3.73Å; L162-F231 HydrophobicContact CB-CE2 4.01Å; L162-F231 HydrophobicContact CB-CZ 4.41Å; L162-F231 HydrophobicContact CD1-CZ 4.31Å; V165-F231 HydrophobicContact CG2-CE1 4.46Å; V165-F231 HydrophobicContact CG2-CZ 3.95Å; C194-F231 HydrophobicContact CB-CD1 3.59Å; C194-F231 HydrophobicContact CB-CE1 3.75Å; C194-F231 HydrophobicContact CB-CG 4.35Å; C194-F231 WeakPolarHBondContact O-CE1 3.41Å; F198-F231 HydrophobicContact CB-CE1 4.22Å; C227-F231 WeakPolarHBondContact O-CB 3.32Å; C227-F231 PolarHBondContact O-N 2.89Å; I228-F231 WeakPolarHBondContact O-CB 3.4Å; I228-F231 PolarHBondContact O-N 2.84Å; Y229-F231 VanDerWaalsContact C-N 3.29Å; F231-K233 PolarHBondContact O-N 3.13Å; F231-Y234 HydrophobicContact CD2-CD1 4.28Å; F231-Y234 HydrophobicContact CE2-CD1 4.32Å; F231-Y234 WeakPolarHBondContact O-CB 3.49Å; F231-Y234 PolarHBondContact O-N 3.18Å; F231-L235 HydrophobicContact CD1-CD1 3.9Å; F231-L235 HydrophobicContact CD1-CG 4.42Å; F231-L235 HydrophobicContact CE1-CD1 3.42Å; F231-L235 VanDerWaalsContact CE1-CD1 3.42Å; F231-L235 HydrophobicContact CE1-CG 4.06Å; F231-L235 HydrophobicContact CE2-CD2 4.45Å; F231-L235 HydrophobicContact CE2-CG 4.33Å; F231-L235 HydrophobicContact CZ-CD1 3.79Å; F231-L235 HydrophobicContact CZ-CD2 4.1Å; F231-L235 HydrophobicContact CZ-CG 4Å; F231-L235 WeakPolarHBondContact O-CG 3.42Å; F231-L235 PolarHBondContact O-N 3.41Å |
| 232 | E | 96.3 | Very high | 93 | Very high | 50 Ų | 50 | 48.3 Ų | 48.3 | 23% | 0.234 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -54.7 | -50.4 | 171.5 | 174.5 | -172.2 | -132.5 | 0 | 0 | 111.7 | V197 S203 A204 I228 Y234 L235 Y236 | V197-E232 HydrophobicContact CG1-CB 4.01Å; V197-E232 HydrophobicContact CG1-CG 4.39Å; S203-E232 WeakPolarHBondContact CA-OE1 3.23Å; S203-E232 WeakPolarHBondContact CB-OE1 3.23Å; A204-E232 HydrophobicContact CB-CB 4.06Å; A204-E232 WeakPolarHBondContact CB-OE2 3.06Å; A204-E232 PolarHBondContact N-OE1 3.24Å; I228-E232 PolarHBondContact O-N 3.16Å; E232-Y234 VanDerWaalsContact C-N 3.3Å; E232-Y234 PolarHBondContact O-N 2.93Å; E232-L235 PolarHBondContact O-N 3.28Å; E232-Y236 PolarHBondContact O-N 3.17Å; E232-Y236 VanDerWaalsContact O-N 3.1Å |
| 233 | K | 95.1 | Very high | 92.9 | Very high | 154 Ų | 154 | 45.2 Ų | 45.2 | 67% | 0.67 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -61.3 | -38.8 | 176.5 | -73.4 | 179.2 | 177.7 | -175.9 | 0 | 112.5 | Y229 K230 F231 L235 Y236 | Y229-K233 WeakPolarHBondContact O-CG 3.28Å; Y229-K233 PolarHBondContact O-N 2.99Å; Y229-K233 VanDerWaalsContact O-N 3.14Å; K230-K233 PolarHBondContact O-N 2.96Å; F231-K233 PolarHBondContact O-N 3.13Å; K233-L235 VanDerWaalsContact C-N 3.34Å; K233-Y236 WeakPolarHBondContact O-CB 3.35Å; K233-Y236 PolarHBondContact O-N 3.09Å |
| 234 | Y | 93.9 | Very high | 92.8 | Very high | 54 Ų | 54 | 45.2 Ų | 45.2 | 21% | 0.212 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.6 | -41.2 | 176.5 | 177.2 | -104.4 | 0 | 0 | 0 | 111.7 | L158 Q159 L162 K230 F231 E232 Y236 Y238 | L158-Y234 HydrophobicContact CB-CD1 3.93Å; L158-Y234 HydrophobicContact CB-CD2 4.13Å; L158-Y234 HydrophobicContact CB-CE1 4.19Å; L158-Y234 HydrophobicContact CB-CE2 4.38Å; L158-Y234 HydrophobicContact CB-CG 3.9Å; L158-Y234 HydrophobicContact CD1-CD2 4.01Å; L158-Y234 HydrophobicContact CD1-CG 3.97Å; Q159-Y234 PolarHBondContact OE1-OH 3.31Å; L162-Y234 HydrophobicContact CB-CE1 4.45Å; L162-Y234 HydrophobicContact CD2-CE1 4.04Å; K230-Y234 VanDerWaalsContact O-CB 3.28Å; K230-Y234 WeakPolarHBondContact O-CB 3.16Å; K230-Y234 PolarHBondContact O-N 3.39Å; F231-Y234 HydrophobicContact CD2-CD1 4.28Å; F231-Y234 HydrophobicContact CE2-CD1 4.32Å; F231-Y234 WeakPolarHBondContact O-CB 3.49Å; F231-Y234 PolarHBondContact O-N 3.18Å; E232-Y234 VanDerWaalsContact C-N 3.3Å; E232-Y234 PolarHBondContact O-N 2.93Å; Y234-Y236 VanDerWaalsContact C-N 3.34Å; Y234-Y236 PolarHBondContact O-N 3.41Å; Y234-Y238 HydrophobicContact CD1-CE2 4.04Å; Y234-Y238 HydrophobicContact CD2-CE2 4.29Å; Y234-Y238 AromaticContact CE1-CE2 3.7Å; Y234-Y238 HydrophobicContact CE1-CE2 3.7Å; Y234-Y238 AromaticContact CE2-CE2 3.97Å; Y234-Y238 HydrophobicContact CE2-CE2 3.97Å; Y234-Y238 HydrophobicContact CG-CE2 4.32Å; Y234-Y238 AromaticContact CZ-CE2 3.66Å; Y234-Y238 AromaticContact CZ-CZ 3.92Å; Y234-Y238 WeakPolarHBondContact O-CD2 3.46Å; Y234-Y238 VanDerWaalsContact O-CE2 3.28Å; Y234-Y238 WeakPolarHBondContact O-CE2 3.35Å; Y234-Y238 PolarHBondContact OH-OH 2.85Å |
| 235 | L | 94.7 | Very high | 92.3 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.1 | -28.7 | 176.9 | -73.1 | 178.3 | 0 | 0 | 0 | 114 | L162 V197 F198 F231 E232 K233 L237 Y238 R239 L260 | L162-L235 HydrophobicContact CD1-CD2 3.99Å; V197-L235 HydrophobicContact CG1-CD1 4.03Å; F198-L235 HydrophobicContact CB-CD1 4.03Å; F198-L235 HydrophobicContact CD2-CD1 4.19Å; F198-L235 HydrophobicContact CD2-CD2 3.96Å; F231-L235 HydrophobicContact CD1-CD1 3.9Å; F231-L235 HydrophobicContact CD1-CG 4.42Å; F231-L235 HydrophobicContact CE1-CD1 3.42Å; F231-L235 VanDerWaalsContact CE1-CD1 3.42Å; F231-L235 HydrophobicContact CE1-CG 4.06Å; F231-L235 HydrophobicContact CE2-CD2 4.45Å; F231-L235 HydrophobicContact CE2-CG 4.33Å; F231-L235 HydrophobicContact CZ-CD1 3.79Å; F231-L235 HydrophobicContact CZ-CD2 4.1Å; F231-L235 HydrophobicContact CZ-CG 4Å; F231-L235 WeakPolarHBondContact O-CG 3.42Å; F231-L235 PolarHBondContact O-N 3.41Å; E232-L235 PolarHBondContact O-N 3.28Å; K233-L235 VanDerWaalsContact C-N 3.34Å; L235-L237 VanDerWaalsContact C-N 3.28Å; L235-L237 PolarHBondContact O-N 3.45Å; L235-Y238 PolarHBondContact O-N 3.44Å; L235-R239 PolarHBondContact O-N 3.14Å; L235-L260 HydrophobicContact CD2-CD2 4.47Å |
| 236 | Y | 91.1 | Very high | 91.8 | Very high | 143 Ų | 143 | 52.8 Ų | 52.8 | 56% | 0.561 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -48.9 | -48.5 | -177.3 | 177.5 | -104.3 | 0 | 0 | 0 | 112.6 | E232 K233 Y234 Y238 R239 I240 | E232-Y236 PolarHBondContact O-N 3.17Å; E232-Y236 VanDerWaalsContact O-N 3.1Å; K233-Y236 WeakPolarHBondContact O-CB 3.35Å; K233-Y236 PolarHBondContact O-N 3.09Å; Y234-Y236 VanDerWaalsContact C-N 3.34Å; Y234-Y236 PolarHBondContact O-N 3.41Å; Y236-Y238 VanDerWaalsContact C-N 3.26Å; Y236-Y238 PolarHBondContact O-N 2.85Å; Y236-R239 PolarHBondContact O-N 3.32Å; Y236-R239 VanDerWaalsContact O-N 3.14Å; Y236-I240 HydrophobicContact CE2-CD1 4.2Å |
| 237 | L | 86.5 | Confident | 91.6 | Very high | 86 Ų | 86 | 54.8 Ų | 54.8 | 45% | 0.45 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.5 | -26 | -178.1 | -66.2 | 178 | 0 | 0 | 0 | 113.7 | L235 | L235-L237 VanDerWaalsContact C-N 3.28Å; L235-L237 PolarHBondContact O-N 3.45Å |
| 238 | Y | 90.3 | Very high | 91.4 | Very high | 42 Ų | 42 | 55.2 Ų | 55.2 | 17% | 0.165 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -83.5 | -15 | 178.4 | -59.3 | -81.5 | 0 | 0 | 0 | 112.8 | Y234 L235 Y236 R256 V259 L260 | Y234-Y238 HydrophobicContact CD1-CE2 4.04Å; Y234-Y238 HydrophobicContact CD2-CE2 4.29Å; Y234-Y238 AromaticContact CE1-CE2 3.7Å; Y234-Y238 HydrophobicContact CE1-CE2 3.7Å; Y234-Y238 AromaticContact CE2-CE2 3.97Å; Y234-Y238 HydrophobicContact CE2-CE2 3.97Å; Y234-Y238 HydrophobicContact CG-CE2 4.32Å; Y234-Y238 AromaticContact CZ-CE2 3.66Å; Y234-Y238 AromaticContact CZ-CZ 3.92Å; Y234-Y238 WeakPolarHBondContact O-CD2 3.46Å; Y234-Y238 VanDerWaalsContact O-CE2 3.28Å; Y234-Y238 WeakPolarHBondContact O-CE2 3.35Å; Y234-Y238 PolarHBondContact OH-OH 2.85Å; L235-Y238 PolarHBondContact O-N 3.44Å; Y236-Y238 VanDerWaalsContact C-N 3.26Å; Y236-Y238 PolarHBondContact O-N 2.85Å; Y238-R256 HydrophobicContact CD1-CB 3.72Å; Y238-R256 HydrophobicContact CD1-CG 3.94Å; Y238-R256 HydrophobicContact CE1-CB 4.21Å; Y238-R256 HydrophobicContact CE1-CG 4.1Å; Y238-V259 HydrophobicContact CD1-CB 4.16Å; Y238-V259 HydrophobicContact CD1-CG1 4.05Å; Y238-V259 HydrophobicContact CE1-CB 3.79Å; Y238-V259 HydrophobicContact CE1-CG1 3.61Å; Y238-V259 HydrophobicContact CE1-CG2 4.14Å; Y238-L260 HydrophobicContact CG-CD2 4.35Å; Y238-L260 HydrophobicContact CG-CG 4.46Å; Y238-L260 WeakPolarHBondContact O-CD1 3.48Å |
| 239 | R | 91 | Very high | 91.3 | Very high | 34 Ų | 34 | 56.6 Ų | 56.6 | 13% | 0.128 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -90.8 | -10.3 | -180 | -70.8 | 176.9 | 174.9 | 171.5 | -0.7 | 114.2 | V197 F198 L235 Y236 Y241 N394 | V197-R239 PolarHBondContact O-NH2 2.98Å; F198-R239 PolarHBondContact O-NH2 3.22Å; L235-R239 PolarHBondContact O-N 3.14Å; Y236-R239 PolarHBondContact O-N 3.32Å; Y236-R239 VanDerWaalsContact O-N 3.14Å; R239-Y241 VanDerWaalsContact O-CD2 3.27Å; R239-Y241 WeakPolarHBondContact O-CD2 3.43Å; R239-Y241 PolarHBondContact O-N 3.09Å; R239-N394 WeakPolarHBondContact O-CA 3.34Å |
| 240 | I | 92.3 | Very high | 91.3 | Very high | 18 Ų | 18 | 54.6 Ų | 54.6 | 9% | 0.092 | 27% | 0.268 | C | S | . | . | trans | -81.5 | 105.6 | 179.5 | -56.7 | -55.7 | 0 | 0 | 0 | 109.7 | Y236 F248 | Y236-I240 HydrophobicContact CE2-CD1 4.2Å; I240-F248 HydrophobicContact CG2-CE1 4.26Å | ||
| 241 | Y | 93.3 | Very high | 91.3 | Very high | 25 Ų | 25 | 54.6 Ų | 54.6 | 10% | 0.098 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -89.5 | -42.1 | 170.1 | -67.4 | -88.7 | 0 | 0 | 0 | 111.7 | R239 F248 F253 F393 N394 W400 W420 | R239-Y241 VanDerWaalsContact O-CD2 3.27Å; R239-Y241 WeakPolarHBondContact O-CD2 3.43Å; R239-Y241 PolarHBondContact O-N 3.09Å; Y241-F248 WeakPolarHBondContact O-CZ 3.45Å; Y241-F253 HydrophobicContact CD1-CE2 4.29Å; Y241-F253 HydrophobicContact CD1-CZ 4.02Å; Y241-F393 HydrophobicContact CD2-CB 4.09Å; Y241-F393 WeakPolarHBondContact CD2-O 3.38Å; Y241-F393 HydrophobicContact CG-CB 4.29Å; Y241-N394 PolarHBondContact N-OD1 3.2Å; Y241-W400 AromaticContact CD1-CZ2 3.81Å; Y241-W400 HydrophobicContact CD1-CZ2 3.81Å; Y241-W400 AromaticContact CE1-CZ2 3.52Å; Y241-W400 HydrophobicContact CE1-CZ2 3.52Å; Y241-W400 AromaticContact CE1-NE1 3.94Å; Y241-W400 HydrophobicContact CG-CZ2 4.5Å; Y241-W400 AromaticContact CZ-CZ2 3.99Å; Y241-W400 AromaticContact CZ-NE1 3.51Å; Y241-W400 PolarHBondContact OH-NE1 3.05Å; Y241-W420 PolarHBondContact O-NE1 2.56Å |
| 242 | F | 93.8 | Very high | 91.1 | Very high | 18 Ų | 18 | 56 Ų | 56 | 8% | 0.079 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -117.4 | 102.7 | 177 | -70.1 | -89.1 | 0 | 0 | 0 | 109 | I275 K390 F393 N394 L416 W420 | F242-I275 HydrophobicContact CE2-CD1 3.89Å; F242-I275 HydrophobicContact CE2-CG1 3.96Å; F242-I275 HydrophobicContact CZ-CD1 3.93Å; F242-I275 HydrophobicContact CZ-CG1 3.72Å; F242-K390 HydrophobicContact CB-CB 3.99Å; F242-K390 HydrophobicContact CB-CD 4.33Å; F242-K390 HydrophobicContact CB-CG 4.06Å; F242-K390 HydrophobicContact CD1-CD 3.93Å; F242-K390 HydrophobicContact CD1-CG 3.69Å; F242-K390 HydrophobicContact CD2-CB 4.06Å; F242-K390 HydrophobicContact CD2-CG 3.86Å; F242-K390 HydrophobicContact CE1-CD 4.43Å; F242-K390 HydrophobicContact CE1-CG 4.01Å; F242-K390 HydrophobicContact CE2-CG 4.18Å; F242-K390 HydrophobicContact CG-CB 3.95Å; F242-K390 HydrophobicContact CG-CD 4.14Å; F242-K390 HydrophobicContact CG-CG 3.59Å; F242-K390 HydrophobicContact CZ-CG 4.24Å; F242-F393 HydrophobicContact CD2-CD2 4.22Å; F242-F393 AromaticContact CE2-CD2 3.69Å; F242-F393 HydrophobicContact CE2-CD2 3.69Å; F242-F393 HydrophobicContact CE2-CE2 4.24Å; F242-N394 PolarHBondContact N-OD1 3.26Å; F242-N394 VanDerWaalsContact N-OD1 3.1Å; F242-N394 PolarHBondContact O-ND2 3.14Å; F242-L416 HydrophobicContact CE1-CD2 4.29Å; F242-L416 HydrophobicContact CE2-CD2 4.22Å; F242-L416 HydrophobicContact CZ-CD2 3.68Å; F242-W420 HydrophobicContact CE1-CB 3.77Å; F242-W420 AromaticContact CE1-CD1 3.93Å; F242-W420 HydrophobicContact CE1-CG 4.29Å; F242-W420 HydrophobicContact CZ-CB 4.28Å |
| 243 | G | 87 | Confident | 91.1 | Very high | 17 Ų | 17 | 53.9 Ų | 53.9 | 18% | 0.175 | 27% | 0.272 | C | S | . | . | trans | -94.7 | -177.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 244 | S | 86.4 | Confident | 91.2 | Very high | 81 Ų | 81 | 46.9 Ų | 46.9 | 57% | 0.566 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -62.3 | 156.1 | 163 | 60.4 | 0 | 0 | 0 | 0 | 110.2 | G246 Q247 | S244-G246 PolarHBondContact O-N 3.21Å; S244-Q247 WeakPolarHBondContact O-CB 3.33Å; S244-Q247 PolarHBondContact O-N 2.86Å |
| 245 | H | 81.9 | Confident | 91.2 | Very high | 135 Ų | 135 | 51.7 Ų | 51.7 | 63% | 0.625 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.6 | 130.6 | 174.9 | -70.5 | -83.6 | 0 | 0 | 0 | 111.2 | Q247 H423 | H245-Q247 VanDerWaalsContact C-N 3.27Å; H245-Q247 PolarHBondContact O-N 3.41Å; H245-H423 AromaticContact CE1-CD2 3.16Å; H245-H423 PolarHBondContact CE1-CD2 3.22Å; H245-H423 AromaticContact CE1-CE1 3.43Å; H245-H423 PolarHBondContact CE1-CE1 3.44Å; H245-H423 VanDerWaalsContact CE1-CE1 3.43Å; H245-H423 AromaticContact CE1-CG 3.79Å; H245-H423 AromaticContact CE1-ND1 3.93Å; H245-H423 AromaticContact CE1-NE2 2.92Å; H245-H423 PolarHBondContact CE1-NE2 3.12Å; H245-H423 AromaticContact ND1-CD2 3.27Å; H245-H423 PolarHBondContact ND1-CD2 3.19Å; H245-H423 VanDerWaalsContact ND1-CD2 3.27Å; H245-H423 AromaticContact ND1-CE1 3.86Å; H245-H423 AromaticContact ND1-CG 3.54Å; H245-H423 AromaticContact ND1-ND1 3.9Å; H245-H423 AromaticContact ND1-NE2 3.52Å; H245-H423 AromaticContact NE2-CE1 3.64Å; H245-H423 AromaticContact NE2-NE2 3.52Å |
| 246 | G | 82.8 | Confident | 91.1 | Very high | 34 Ų | 34 | 54.5 Ų | 54.5 | 35% | 0.351 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 10.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | S244 F248 H423 | S244-G246 PolarHBondContact O-N 3.21Å; G246-F248 VanDerWaalsContact C-N 3.27Å; G246-F248 PolarHBondContact O-N 3.5Å; G246-H423 PolarHBondContact N-O 2.94Å |
| 247 | Q | 88.3 | Confident | 91.3 | Very high | 70 Ų | 70 | 48.2 Ų | 48.2 | 33% | 0.327 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -64.1 | -28.2 | -177.3 | -171.8 | 173.8 | -2.7 | 0 | 0 | 113.6 | S244 H245 | S244-Q247 WeakPolarHBondContact O-CB 3.33Å; S244-Q247 PolarHBondContact O-N 2.86Å; H245-Q247 VanDerWaalsContact C-N 3.27Å; H245-Q247 PolarHBondContact O-N 3.41Å |
| 248 | F | 90.8 | Very high | 91.6 | Very high | 12 Ų | 12 | 45.3 Ų | 45.3 | 5% | 0.053 | 24% | 0.235 | C | C | . | . | trans | -151.5 | 152.4 | 179.8 | 49.9 | -100.6 | 0 | 0 | 0 | 113 | I240 Y241 G246 A252 F253 W420 L424 K425 | I240-F248 HydrophobicContact CG2-CE1 4.26Å; Y241-F248 WeakPolarHBondContact O-CZ 3.45Å; G246-F248 VanDerWaalsContact C-N 3.27Å; G246-F248 PolarHBondContact O-N 3.5Å; F248-A252 HydrophobicContact CB-CB 4.39Å; F248-F253 HydrophobicContact CD2-CB 3.76Å; F248-F253 HydrophobicContact CD2-CD2 4.04Å; F248-F253 HydrophobicContact CD2-CG 4.31Å; F248-F253 HydrophobicContact CE2-CB 4.08Å; F248-F253 AromaticContact CE2-CD2 3.61Å; F248-F253 HydrophobicContact CE2-CD2 3.61Å; F248-F253 HydrophobicContact CE2-CE2 4.45Å; F248-F253 HydrophobicContact CE2-CG 4.14Å; F248-F253 AromaticContact CZ-CD2 3.94Å; F248-F253 HydrophobicContact CZ-CD2 3.94Å; F248-F253 HydrophobicContact CZ-CE2 4.47Å; F248-W420 HydrophobicContact CE2-CZ2 4.37Å; F248-L424 HydrophobicContact CD2-CD2 3.92Å; F248-L424 HydrophobicContact CE2-CD2 3.81Å; F248-K425 WeakPolarHBondContact O-CB 3.45Å; F248-K425 PolarHBondContact O-N 2.84Å | ||
| 249 | S | 94.1 | Very high | 91.6 | Very high | 29 Ų | 29 | 45 Ų | 45 | 20% | 0.203 | 24% | 0.237 | C | C | . | . | trans | -83.1 | 166.2 | 166.8 | 63.7 | 0 | 0 | 0 | 0 | 111.2 | E251 A252 F253 | S249-E251 VanDerWaalsContact C-N 3.31Å; S249-E251 PolarHBondContact O-N 3.06Å; S249-A252 PolarHBondContact O-N 3.48Å; S249-A252 WeakPolarHBondContact OG-CB 3.47Å; S249-A252 PolarHBondContact OG-N 3.44Å; S249-F253 WeakPolarHBondContact O-CB 3.47Å; S249-F253 PolarHBondContact O-N 3.25Å | ||
| 250 | L | 95.8 | Very high | 91.6 | Very high | 12 Ų | 12 | 44.8 Ų | 44.8 | 6% | 0.063 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -55.1 | -46.5 | 172.9 | 175.8 | 60.8 | 0 | 0 | 0 | 111.8 | F253 L254 P273 W420 L424 V428 P457 L461 | L250-F253 PolarHBondContact O-N 2.63Å; L250-L254 HydrophobicContact CD1-CD1 3.82Å; L250-L254 HydrophobicContact CD1-CG 4.06Å; L250-L254 HydrophobicContact CG-CD1 3.98Å; L250-L254 WeakPolarHBondContact O-CB 3.43Å; L250-L254 WeakPolarHBondContact O-CG 3.36Å; L250-L254 PolarHBondContact O-N 2.97Å; L250-P273 HydrophobicContact CD1-CG 3.59Å; L250-W420 HydrophobicContact CD1-CH2 3.82Å; L250-W420 HydrophobicContact CD1-CZ3 4.38Å; L250-L424 HydrophobicContact CB-CD1 4.39Å; L250-V428 HydrophobicContact CD2-CB 4.49Å; L250-V428 HydrophobicContact CD2-CG1 3.88Å; L250-V428 HydrophobicContact CD2-CG2 4.19Å; L250-P457 HydrophobicContact CD2-CB 3.69Å; L250-P457 HydrophobicContact CG-CB 4.18Å; L250-L461 HydrophobicContact CD1-CD1 4.16Å; L250-L461 HydrophobicContact CD2-CD1 3.89Å |
| 251 | E | 94.9 | Very high | 91.5 | Very high | 131 Ų | 131 | 44.6 Ų | 44.6 | 61% | 0.612 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -60.4 | -48 | 178.5 | -170.8 | -162.8 | 167.9 | 0 | 0 | 111.7 | S249 F253 L254 K255 | S249-E251 VanDerWaalsContact C-N 3.31Å; S249-E251 PolarHBondContact O-N 3.06Å; E251-F253 VanDerWaalsContact C-N 3.31Å; E251-F253 PolarHBondContact O-N 2.88Å; E251-L254 PolarHBondContact O-N 3.35Å; E251-K255 WeakPolarHBondContact O-CB 3.32Å; E251-K255 PolarHBondContact O-N 3.17Å |
| 252 | A | 93.9 | Very high | 91.1 | Very high | 30 Ų | 30 | 45.5 Ų | 45.5 | 25% | 0.248 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.7 | -40.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F248 S249 R256 | F248-A252 HydrophobicContact CB-CB 4.39Å; S249-A252 PolarHBondContact O-N 3.48Å; S249-A252 WeakPolarHBondContact OG-CB 3.47Å; S249-A252 PolarHBondContact OG-N 3.44Å; A252-R256 VanDerWaalsContact O-CG 3.32Å; A252-R256 WeakPolarHBondContact O-CG 3.49Å; A252-R256 PolarHBondContact O-N 2.87Å; A252-R256 VanDerWaalsContact O-N 3.17Å |
| 253 | F | 95.6 | Very high | 90.7 | Very high | 6 Ų | 6 | 46.3 Ų | 46.3 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.6 | -50.1 | 174.7 | -179.6 | -90.2 | 0 | 0 | 0 | 111.7 | Y241 F248 S249 L250 E251 K255 R256 Q257 P273 W420 | Y241-F253 HydrophobicContact CD1-CE2 4.29Å; Y241-F253 HydrophobicContact CD1-CZ 4.02Å; F248-F253 HydrophobicContact CD2-CB 3.76Å; F248-F253 HydrophobicContact CD2-CD2 4.04Å; F248-F253 HydrophobicContact CD2-CG 4.31Å; F248-F253 HydrophobicContact CE2-CB 4.08Å; F248-F253 AromaticContact CE2-CD2 3.61Å; F248-F253 HydrophobicContact CE2-CD2 3.61Å; F248-F253 HydrophobicContact CE2-CE2 4.45Å; F248-F253 HydrophobicContact CE2-CG 4.14Å; F248-F253 AromaticContact CZ-CD2 3.94Å; F248-F253 HydrophobicContact CZ-CD2 3.94Å; F248-F253 HydrophobicContact CZ-CE2 4.47Å; S249-F253 WeakPolarHBondContact O-CB 3.47Å; S249-F253 PolarHBondContact O-N 3.25Å; L250-F253 PolarHBondContact O-N 2.63Å; E251-F253 VanDerWaalsContact C-N 3.31Å; E251-F253 PolarHBondContact O-N 2.88Å; F253-K255 VanDerWaalsContact C-N 3.31Å; F253-K255 PolarHBondContact O-N 2.82Å; F253-R256 WeakPolarHBondContact O-CB 3.47Å; F253-R256 PolarHBondContact O-N 2.92Å; F253-R256 VanDerWaalsContact O-N 3.12Å; F253-Q257 HydrophobicContact CE1-CB 4.28Å; F253-Q257 WeakPolarHBondContact O-CB 3.39Å; F253-Q257 PolarHBondContact O-N 3.43Å; F253-P273 HydrophobicContact CD1-CB 4.25Å; F253-P273 HydrophobicContact CE1-CB 3.82Å; F253-W420 HydrophobicContact CB-CZ2 4.41Å; F253-W420 HydrophobicContact CD1-CH2 4.2Å; F253-W420 AromaticContact CD1-CZ2 3.57Å; F253-W420 HydrophobicContact CD1-CZ2 3.57Å; F253-W420 AromaticContact CD2-CZ2 3.99Å; F253-W420 HydrophobicContact CD2-CZ2 3.99Å; F253-W420 AromaticContact CE1-CZ2 3.73Å; F253-W420 HydrophobicContact CE1-CZ2 3.73Å; F253-W420 HydrophobicContact CE2-CZ2 4.13Å; F253-W420 AromaticContact CE2-NE1 3.95Å; F253-W420 AromaticContact CG-CZ2 3.71Å; F253-W420 HydrophobicContact CG-CZ2 3.71Å; F253-W420 HydrophobicContact CZ-CZ2 4.01Å |
| 254 | L | 96.3 | Very high | 90.7 | Very high | 7 Ų | 7 | 50.4 Ų | 50.4 | 4% | 0.037 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.2 | -36.6 | -179.4 | -74.1 | 173.6 | 0 | 0 | 0 | 112.1 | L250 E251 R256 Q257 N258 P273 P457 | L250-L254 HydrophobicContact CD1-CD1 3.82Å; L250-L254 HydrophobicContact CD1-CG 4.06Å; L250-L254 HydrophobicContact CG-CD1 3.98Å; L250-L254 WeakPolarHBondContact O-CB 3.43Å; L250-L254 WeakPolarHBondContact O-CG 3.36Å; L250-L254 PolarHBondContact O-N 2.97Å; E251-L254 PolarHBondContact O-N 3.35Å; L254-R256 VanDerWaalsContact C-N 3.34Å; L254-R256 PolarHBondContact O-N 2.84Å; L254-Q257 PolarHBondContact O-N 3.12Å; L254-N258 VanDerWaalsContact O-CB 3.23Å; L254-N258 WeakPolarHBondContact O-CB 3.21Å; L254-N258 VanDerWaalsContact O-CG 3.25Å; L254-N258 PolarHBondContact O-N 3.28Å; L254-N258 PolarHBondContact O-ND2 3.25Å; L254-P273 HydrophobicContact CD2-CG 4.18Å; L254-P457 HydrophobicContact CD1-CB 3.53Å; L254-P457 HydrophobicContact CD1-CG 3.52Å |
| 255 | K | 94.3 | Very high | 90.8 | Very high | 155 Ų | 155 | 48.8 Ų | 48.8 | 67% | 0.674 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -59 | -46 | 172.6 | -175.3 | 173.2 | -179.3 | 175.2 | 0 | 111.2 | E251 F253 N258 V259 | E251-K255 WeakPolarHBondContact O-CB 3.32Å; E251-K255 PolarHBondContact O-N 3.17Å; F253-K255 VanDerWaalsContact C-N 3.31Å; F253-K255 PolarHBondContact O-N 2.82Å; K255-N258 PolarHBondContact O-N 3.07Å; K255-V259 WeakPolarHBondContact O-CG2 3.12Å; K255-V259 PolarHBondContact O-N 3.01Å |
| 256 | R | 93.7 | Very high | 91.3 | Very high | 59 Ų | 59 | 47.7 Ų | 47.7 | 22% | 0.223 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.7 | -46.5 | 177 | -68.9 | 172.6 | -167.7 | 175.3 | 7.7 | 112.2 | Y238 A252 F253 L254 N258 V259 L260 | Y238-R256 HydrophobicContact CD1-CB 3.72Å; Y238-R256 HydrophobicContact CD1-CG 3.94Å; Y238-R256 HydrophobicContact CE1-CB 4.21Å; Y238-R256 HydrophobicContact CE1-CG 4.1Å; A252-R256 VanDerWaalsContact O-CG 3.32Å; A252-R256 WeakPolarHBondContact O-CG 3.49Å; A252-R256 PolarHBondContact O-N 2.87Å; A252-R256 VanDerWaalsContact O-N 3.17Å; F253-R256 WeakPolarHBondContact O-CB 3.47Å; F253-R256 PolarHBondContact O-N 2.92Å; F253-R256 VanDerWaalsContact O-N 3.12Å; L254-R256 VanDerWaalsContact C-N 3.34Å; L254-R256 PolarHBondContact O-N 2.84Å; R256-N258 VanDerWaalsContact C-N 3.32Å; R256-N258 PolarHBondContact O-N 3.31Å; R256-V259 WeakPolarHBondContact O-CB 3.43Å; R256-V259 PolarHBondContact O-N 3.16Å; R256-V259 VanDerWaalsContact O-N 3.14Å; R256-L260 PolarHBondContact O-N 3.44Å |
| 257 | Q | 94.6 | Very high | 91.7 | Very high | 12 Ų | 12 | 54.3 Ų | 54.3 | 6% | 0.056 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.9 | -47.2 | 176.4 | 175.9 | 175.8 | -77.5 | 0 | 0 | 110.9 | F253 L254 V259 L260 L261 L269 I272 K274 | F253-Q257 HydrophobicContact CE1-CB 4.28Å; F253-Q257 WeakPolarHBondContact O-CB 3.39Å; F253-Q257 PolarHBondContact O-N 3.43Å; L254-Q257 PolarHBondContact O-N 3.12Å; Q257-V259 PolarHBondContact O-N 2.92Å; Q257-L260 PolarHBondContact O-N 3.27Å; Q257-L261 HydrophobicContact CG-CD1 3.48Å; Q257-L261 VanDerWaalsContact CG-CD1 3.48Å; Q257-L261 HydrophobicContact CG-CG 3.75Å; Q257-L261 WeakPolarHBondContact O-CG 3.43Å; Q257-L261 PolarHBondContact O-N 3.16Å; Q257-L269 PolarHBondContact NE2-O 3.08Å; Q257-I272 PolarHBondContact NE2-O 2.88Å; Q257-K274 VanDerWaalsContact OE1-CB 3.29Å |
| 258 | N | 93.3 | Very high | 91.8 | Very high | 25 Ų | 25 | 54.1 Ų | 54.1 | 13% | 0.134 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64 | -26.2 | -179.9 | -80 | -48.2 | 0 | 0 | 0 | 113.2 | L254 K255 R256 R266 R270 | L254-N258 VanDerWaalsContact O-CB 3.23Å; L254-N258 WeakPolarHBondContact O-CB 3.21Å; L254-N258 VanDerWaalsContact O-CG 3.25Å; L254-N258 PolarHBondContact O-N 3.28Å; L254-N258 PolarHBondContact O-ND2 3.25Å; K255-N258 PolarHBondContact O-N 3.07Å; R256-N258 VanDerWaalsContact C-N 3.32Å; R256-N258 PolarHBondContact O-N 3.31Å; N258-R266 PolarHBondContact O-NE 3.44Å; N258-R266 VanDerWaalsContact O-NE 3.09Å; N258-R266 PolarHBondContact O-NH1 3Å; N258-R266 PolarHBondContact O-NH2 3.11Å; N258-R266 VanDerWaalsContact O-NH2 3.14Å; N258-R270 PolarHBondContact ND2-O 3.1Å; N258-R270 WeakPolarHBondContact OD1-CA 3.42Å |
| 259 | V | 90.6 | Very high | 92 | Very high | 34 Ų | 34 | 53.5 Ų | 53.5 | 21% | 0.206 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.6 | -36.6 | 173.7 | 165 | 0 | 0 | 0 | 0 | 111.3 | L162 Y238 K255 R256 Q257 | L162-V259 HydrophobicContact CD2-CG1 3.27Å; Y238-V259 HydrophobicContact CD1-CB 4.16Å; Y238-V259 HydrophobicContact CD1-CG1 4.05Å; Y238-V259 HydrophobicContact CE1-CB 3.79Å; Y238-V259 HydrophobicContact CE1-CG1 3.61Å; Y238-V259 HydrophobicContact CE1-CG2 4.14Å; K255-V259 WeakPolarHBondContact O-CG2 3.12Å; K255-V259 PolarHBondContact O-N 3.01Å; R256-V259 WeakPolarHBondContact O-CB 3.43Å; R256-V259 PolarHBondContact O-N 3.16Å; R256-V259 VanDerWaalsContact O-N 3.14Å; Q257-V259 PolarHBondContact O-N 2.92Å |
| 260 | L | 89.8 | Confident | 92.1 | Very high | 30 Ų | 30 | 59 Ų | 59 | 16% | 0.157 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -85.2 | -37.5 | 178.7 | -62.4 | -174.6 | 0 | 0 | 0 | 113.8 | L162 F198 L235 Y238 R256 Q257 H262 | L162-L260 HydrophobicContact CD1-CD2 4.4Å; F198-L260 HydrophobicContact CE2-CD2 3.97Å; L235-L260 HydrophobicContact CD2-CD2 4.47Å; Y238-L260 HydrophobicContact CG-CD2 4.35Å; Y238-L260 HydrophobicContact CG-CG 4.46Å; Y238-L260 WeakPolarHBondContact O-CD1 3.48Å; R256-L260 PolarHBondContact O-N 3.44Å; Q257-L260 PolarHBondContact O-N 3.27Å; L260-H262 PolarHBondContact O-ND1 2.72Å; L260-H262 VanDerWaalsContact O-ND1 3.11Å |
| 261 | L | 90.2 | Very high | 92.1 | Very high | 15 Ų | 15 | 59.6 Ų | 59.6 | 8% | 0.079 | 28% | 0.281 | C | S | . | . | trans | -70.5 | 144.2 | 179.2 | -65.4 | -172.8 | 0 | 0 | 0 | 110.8 | Q257 E265 R266 L269 K274 | Q257-L261 HydrophobicContact CG-CD1 3.48Å; Q257-L261 VanDerWaalsContact CG-CD1 3.48Å; Q257-L261 HydrophobicContact CG-CG 3.75Å; Q257-L261 WeakPolarHBondContact O-CG 3.43Å; Q257-L261 PolarHBondContact O-N 3.16Å; L261-E265 HydrophobicContact CD1-CG 4.47Å; L261-E265 HydrophobicContact CD2-CG 4.12Å; L261-R266 HydrophobicContact CB-CB 3.81Å; L261-R266 HydrophobicContact CB-CG 4Å; L261-R266 VanDerWaalsContact O-CD 3.23Å; L261-R266 WeakPolarHBondContact O-CD 3.29Å; L261-R266 WeakPolarHBondContact O-CG 3.42Å; L261-R266 PolarHBondContact O-NH1 3.21Å; L261-L269 HydrophobicContact CD1-CB 3.84Å; L261-L269 HydrophobicContact CD1-CD1 4.33Å; L261-K274 HydrophobicContact CD2-CD 4.41Å | ||
| 262 | H | 85.8 | Confident | 92.2 | Very high | 44 Ų | 44 | 53.5 Ų | 53.5 | 20% | 0.204 | 25% | 0.253 | C | S | . | . | trans | -142.8 | 170.6 | 177.6 | 49.6 | -84 | 0 | 0 | 0 | 111.1 | T166 Q169 L260 R266 | T166-H262 HydrophobicContact CG2-CB 3.94Å; Q169-H262 PolarHBondContact OE1-CE1 3.47Å; L260-H262 PolarHBondContact O-ND1 2.72Å; L260-H262 VanDerWaalsContact O-ND1 3.11Å; H262-R266 PolarHBondContact O-N 2.71Å | ||
| 263 | G | 84.6 | Confident | 92.4 | Very high | 35 Ų | 35 | 52.1 Ų | 52.1 | 36% | 0.361 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | 61.3 | -148.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | E265 R266 R267 | G263-E265 VanDerWaalsContact C-N 3.28Å; G263-E265 PolarHBondContact O-N 3.17Å; G263-R266 PolarHBondContact O-N 2.96Å; G263-R267 PolarHBondContact O-N 3.21Å |
| 264 | P | 86.5 | Confident | 92.4 | Very high | 103 Ų | 103 | 53 Ų | 53 | 67% | 0.669 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -60.6 | -33.6 | 179 | -24.2 | 34.8 | 0 | 0 | 0 | 113.7 | R267 R268 | P264-R267 PolarHBondContact O-N 3.07Å; P264-R268 PolarHBondContact O-N 3.26Å |
| 265 | E | 89.3 | Confident | 92.4 | Very high | 47 Ų | 47 | 52.6 Ų | 52.6 | 22% | 0.22 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.1 | -41.8 | -179.6 | -172.8 | 176.9 | -166.4 | 0 | 0 | 111.7 | L261 G263 R267 R268 L269 K274 | L261-E265 HydrophobicContact CD1-CG 4.47Å; L261-E265 HydrophobicContact CD2-CG 4.12Å; G263-E265 VanDerWaalsContact C-N 3.28Å; G263-E265 PolarHBondContact O-N 3.17Å; E265-R267 VanDerWaalsContact C-N 3.32Å; E265-R267 PolarHBondContact O-N 2.68Å; E265-R268 VanDerWaalsContact O-CA 3.31Å; E265-R268 WeakPolarHBondContact O-CA 3.46Å; E265-R268 PolarHBondContact O-N 3.48Å; E265-L269 HydrophobicContact CG-CD1 3.89Å; E265-L269 WeakPolarHBondContact O-CB 3.42Å; E265-L269 PolarHBondContact O-N 2.94Å; E265-K274 WeakPolarHBondContact OE1-CE 3.43Å; E265-K274 IonicContact OE1-NZ 2.67Å; E265-K274 PolarHBondContact OE1-NZ 2.93Å |
| 266 | R | 91.5 | Very high | 92.6 | Very high | 112 Ų | 112 | 45.2 Ų | 45.2 | 42% | 0.423 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.2 | -38.6 | 174.9 | -168.5 | -169.7 | -174.4 | 141.5 | -9.8 | 112.6 | N258 L261 H262 G263 R270 | N258-R266 PolarHBondContact O-NE 3.44Å; N258-R266 VanDerWaalsContact O-NE 3.09Å; N258-R266 PolarHBondContact O-NH1 3Å; N258-R266 PolarHBondContact O-NH2 3.11Å; N258-R266 VanDerWaalsContact O-NH2 3.14Å; L261-R266 HydrophobicContact CB-CB 3.81Å; L261-R266 HydrophobicContact CB-CG 4Å; L261-R266 VanDerWaalsContact O-CD 3.23Å; L261-R266 WeakPolarHBondContact O-CD 3.29Å; L261-R266 WeakPolarHBondContact O-CG 3.42Å; L261-R266 PolarHBondContact O-NH1 3.21Å; H262-R266 PolarHBondContact O-N 2.71Å; G263-R266 PolarHBondContact O-N 2.96Å; R266-R270 VanDerWaalsContact O-CA 3.3Å; R266-R270 WeakPolarHBondContact O-CA 3.41Å; R266-R270 VanDerWaalsContact O-CB 3.31Å; R266-R270 WeakPolarHBondContact O-CB 3.28Å; R266-R270 PolarHBondContact O-N 3.17Å |
| 267 | R | 91.5 | Very high | 92.8 | Very high | 173 Ų | 173 | 42.6 Ų | 42.6 | 65% | 0.653 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -63.3 | -57.3 | 175.8 | -61.7 | 178.9 | -171.4 | 124.7 | -0.6 | 108.3 | G263 P264 E265 L269 R270 | G263-R267 PolarHBondContact O-N 3.21Å; P264-R267 PolarHBondContact O-N 3.07Å; E265-R267 VanDerWaalsContact C-N 3.32Å; E265-R267 PolarHBondContact O-N 2.68Å; R267-L269 VanDerWaalsContact C-N 3.3Å; R267-L269 PolarHBondContact O-N 3.22Å; R267-L269 VanDerWaalsContact O-N 3.13Å; R267-R270 WeakPolarHBondContact O-CB 3.36Å; R267-R270 PolarHBondContact O-N 3.39Å |
| 268 | R | 90.8 | Very high | 92.9 | Very high | 65 Ų | 65 | 42.8 Ų | 42.8 | 25% | 0.245 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -17.7 | -69.1 | 161 | 178.3 | -118.1 | 99.6 | 170.4 | 5.6 | 114.3 | P264 E265 Y277 E546 D549 | P264-R268 PolarHBondContact O-N 3.26Å; E265-R268 VanDerWaalsContact O-CA 3.31Å; E265-R268 WeakPolarHBondContact O-CA 3.46Å; E265-R268 PolarHBondContact O-N 3.48Å; R268-Y277 PolarHBondContact NH1-OH 3.29Å; R268-Y277 VanDerWaalsContact NH1-OH 3.09Å; R268-Y277 VanDerWaalsContact NH2-CE1 3.28Å; R268-Y277 PolarHBondContact NH2-OH 3.47Å; R268-E546 IonicContact NH1-OE1 3.22Å; R268-D549 WeakPolarHBondContact CA-OD2 3.28Å; R268-D549 VanDerWaalsContact CB-OD2 3.27Å; R268-D549 WeakPolarHBondContact CB-OD2 3.49Å; R268-D549 PolarHBondContact N-OD2 3.1Å; R268-D549 VanDerWaalsContact N-OD2 3.08Å |
| 269 | L | 95.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | 22.7 | -159 | -56.7 | -179.8 | 0 | 0 | 0 | 110.8 | Q257 L261 E265 R267 N271 I272 K274 Y277 | Q257-L269 PolarHBondContact NE2-O 3.08Å; L261-L269 HydrophobicContact CD1-CB 3.84Å; L261-L269 HydrophobicContact CD1-CD1 4.33Å; E265-L269 HydrophobicContact CG-CD1 3.89Å; E265-L269 WeakPolarHBondContact O-CB 3.42Å; E265-L269 PolarHBondContact O-N 2.94Å; R267-L269 VanDerWaalsContact C-N 3.3Å; R267-L269 PolarHBondContact O-N 3.22Å; R267-L269 VanDerWaalsContact O-N 3.13Å; L269-N271 PolarHBondContact O-N 2.69Å; L269-I272 HydrophobicContact CD2-CB 4.39Å; L269-I272 PolarHBondContact O-N 2.94Å; L269-I272 VanDerWaalsContact O-O 3.05Å; L269-K274 HydrophobicContact CD1-CB 3.99Å; L269-K274 HydrophobicContact CD1-CD 4.34Å; L269-K274 HydrophobicContact CD1-CG 3.93Å; L269-Y277 HydrophobicContact CD1-CD1 4.33Å; L269-Y277 HydrophobicContact CD2-CD1 3.68Å; L269-Y277 HydrophobicContact CD2-CD2 3.73Å; L269-Y277 HydrophobicContact CD2-CE1 4.21Å; L269-Y277 HydrophobicContact CD2-CE2 4.26Å; L269-Y277 HydrophobicContact CD2-CG 3.41Å; L269-Y277 VanDerWaalsContact CD2-CG 3.41Å |
| 270 | R | 95.3 | Very high | 93.5 | Very high | 145 Ų | 145 | 40.1 Ų | 40.1 | 55% | 0.547 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -56 | -42.9 | -177.1 | -174.6 | 179.5 | 174.6 | -141.1 | -2.1 | 111.7 | N258 R266 R267 | N258-R270 PolarHBondContact ND2-O 3.1Å; N258-R270 WeakPolarHBondContact OD1-CA 3.42Å; R266-R270 VanDerWaalsContact O-CA 3.3Å; R266-R270 WeakPolarHBondContact O-CA 3.41Å; R266-R270 VanDerWaalsContact O-CB 3.31Å; R266-R270 WeakPolarHBondContact O-CB 3.28Å; R266-R270 PolarHBondContact O-N 3.17Å; R267-R270 WeakPolarHBondContact O-CB 3.36Å; R267-R270 PolarHBondContact O-N 3.39Å |
| 271 | N | 96.3 | Very high | 93.7 | Very high | 24 Ų | 24 | 41.9 Ų | 41.9 | 13% | 0.128 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -112.8 | 6.1 | -176.2 | -60 | -36.1 | 0 | 0 | 0 | 112.6 | L269 P457 C460 | L269-N271 PolarHBondContact O-N 2.69Å; N271-P457 HydrophobicContact CB-CG 4.39Å; N271-P457 WeakPolarHBondContact O-CA 3.44Å; N271-C460 HydrophobicContact CB-CB 4.25Å |
| 272 | I | 97.1 | Very high | 94 | Very high | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.015 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -123.4 | 121.3 | -175.8 | -56.7 | 174.2 | 0 | 0 | 0 | 108.9 | Q257 L269 K274 C460 L464 V548 | Q257-I272 PolarHBondContact NE2-O 2.88Å; L269-I272 HydrophobicContact CD2-CB 4.39Å; L269-I272 PolarHBondContact O-N 2.94Å; L269-I272 VanDerWaalsContact O-O 3.05Å; I272-K274 PolarHBondContact O-N 3.27Å; I272-C460 HydrophobicContact CD1-CB 4.27Å; I272-C460 HydrophobicContact CG1-CB 3.73Å; I272-L464 HydrophobicContact CG2-CD2 3.89Å; I272-V548 HydrophobicContact CD1-CB 4.19Å; I272-V548 HydrophobicContact CD1-CG1 3.78Å |
| 273 | P | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -56.3 | 125.1 | 172.5 | -24.6 | 34.4 | 0 | 0 | 0 | 111 | L250 F253 L254 I275 I276 Y277 W420 L461 | L250-P273 HydrophobicContact CD1-CG 3.59Å; F253-P273 HydrophobicContact CD1-CB 4.25Å; F253-P273 HydrophobicContact CE1-CB 3.82Å; L254-P273 HydrophobicContact CD2-CG 4.18Å; P273-I275 HydrophobicContact CB-CG2 4.23Å; P273-I275 PolarHBondContact O-N 2.97Å; P273-I276 HydrophobicContact CB-CB 4.37Å; P273-I276 HydrophobicContact CB-CG1 4.02Å; P273-I276 HydrophobicContact CG-CG1 4.45Å; P273-I276 PolarHBondContact O-N 3.27Å; P273-I276 VanDerWaalsContact O-N 3.1Å; P273-Y277 PolarHBondContact O-N 3.02Å; P273-W420 HydrophobicContact CB-CH2 3.51Å; P273-W420 HydrophobicContact CB-CZ2 3.75Å; P273-W420 HydrophobicContact CB-CZ3 4.01Å; P273-W420 HydrophobicContact CG-CH2 3.24Å; P273-W420 HydrophobicContact CG-CZ2 3.97Å; P273-W420 HydrophobicContact CG-CZ3 3.7Å; P273-L461 HydrophobicContact CG-CD1 4.5Å; P273-L461 HydrophobicContact CG-CD2 4.48Å | ||
| 274 | K | 96.5 | Very high | 95 | Very high | 24 Ų | 24 | 38.1 Ų | 38.1 | 10% | 0.104 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.6 | -38.9 | -176.6 | 178.5 | 171.8 | 175.7 | 167.7 | 0 | 111.5 | Q257 L261 E265 L269 I272 Y277 M278 W400 | Q257-K274 VanDerWaalsContact OE1-CB 3.29Å; L261-K274 HydrophobicContact CD2-CD 4.41Å; E265-K274 WeakPolarHBondContact OE1-CE 3.43Å; E265-K274 IonicContact OE1-NZ 2.67Å; E265-K274 PolarHBondContact OE1-NZ 2.93Å; L269-K274 HydrophobicContact CD1-CB 3.99Å; L269-K274 HydrophobicContact CD1-CD 4.34Å; L269-K274 HydrophobicContact CD1-CG 3.93Å; I272-K274 PolarHBondContact O-N 3.27Å; K274-Y277 PolarHBondContact O-N 3.31Å; K274-M278 HydrophobicContact CG-CG 4Å; K274-M278 WeakPolarHBondContact O-CB 3.39Å; K274-M278 WeakPolarHBondContact O-CG 3.43Å; K274-M278 PolarHBondContact O-N 3.07Å; K274-W400 HydrophobicContact CB-CZ2 4.5Å; K274-W400 HydrophobicContact CD-CD2 4.2Å; K274-W400 HydrophobicContact CD-CH2 4.5Å; K274-W400 HydrophobicContact CD-CZ2 4.09Å; K274-W400 VanDerWaalsContact CE-CD2 3.47Å; K274-W400 HydrophobicContact CG-CH2 4.01Å; K274-W400 HydrophobicContact CG-CZ2 4.03Å; K274-W400 HydrophobicContact CG-CZ3 4.23Å |
| 275 | I | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.9 | -48.2 | 176.5 | -175.4 | 62 | 0 | 0 | 0 | 112.7 | F242 P273 M278 C279 F393 W400 W420 | F242-I275 HydrophobicContact CE2-CD1 3.89Å; F242-I275 HydrophobicContact CE2-CG1 3.96Å; F242-I275 HydrophobicContact CZ-CD1 3.93Å; F242-I275 HydrophobicContact CZ-CG1 3.72Å; P273-I275 HydrophobicContact CB-CG2 4.23Å; P273-I275 PolarHBondContact O-N 2.97Å; I275-M278 PolarHBondContact O-N 3.47Å; I275-C279 PolarHBondContact O-N 2.66Å; I275-C279 PolarHBondContact O-SG 2.92Å; I275-F393 HydrophobicContact CD1-CD2 4.22Å; I275-F393 HydrophobicContact CD1-CE2 3.64Å; I275-F393 HydrophobicContact CD1-CZ 3.86Å; I275-W400 HydrophobicContact CB-CH2 3.98Å; I275-W400 HydrophobicContact CD1-CH2 3.88Å; I275-W400 HydrophobicContact CD1-CZ3 4.32Å; I275-W420 HydrophobicContact CG2-CD2 3.8Å; I275-W420 HydrophobicContact CG2-CG 3.75Å; I275-W420 HydrophobicContact CG2-CZ2 4.41Å |
| 276 | I | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.4 | -43.5 | 179.2 | -56 | -55.5 | 0 | 0 | 0 | 110.6 | P273 M278 C279 C280 I417 W420 L421 L461 L464 F465 | P273-I276 HydrophobicContact CB-CB 4.37Å; P273-I276 HydrophobicContact CB-CG1 4.02Å; P273-I276 HydrophobicContact CG-CG1 4.45Å; P273-I276 PolarHBondContact O-N 3.27Å; P273-I276 VanDerWaalsContact O-N 3.1Å; I276-M278 PolarHBondContact O-N 2.82Å; I276-C279 PolarHBondContact O-N 3.04Å; I276-C280 WeakPolarHBondContact O-CB 3.26Å; I276-C280 PolarHBondContact O-N 2.97Å; I276-C280 PolarHBondContact O-SG 3.45Å; I276-I417 HydrophobicContact CD1-CB 4.25Å; I276-I417 HydrophobicContact CD1-CG1 4.1Å; I276-I417 HydrophobicContact CD1-CG2 4.15Å; I276-W420 HydrophobicContact CD1-CB 4.17Å; I276-W420 HydrophobicContact CD1-CD2 4.1Å; I276-W420 HydrophobicContact CD1-CE3 3.65Å; I276-W420 HydrophobicContact CD1-CG 4.33Å; I276-W420 HydrophobicContact CD1-CZ3 4.43Å; I276-W420 HydrophobicContact CG1-CD2 4.22Å; I276-W420 HydrophobicContact CG1-CE3 3.64Å; I276-W420 HydrophobicContact CG1-CZ3 3.94Å; I276-L421 HydrophobicContact CD1-CG 4.2Å; I276-L461 HydrophobicContact CB-CD2 4.26Å; I276-L461 HydrophobicContact CG2-CD2 3.83Å; I276-L464 HydrophobicContact CG2-CD2 3.89Å; I276-F465 HydrophobicContact CG2-CE1 4.37Å; I276-F465 HydrophobicContact CG2-CE2 4.39Å; I276-F465 HydrophobicContact CG2-CZ 3.78Å |
| 277 | Y | 97.2 | Very high | 95.7 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.016 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57.2 | -48.2 | 175.2 | 175.5 | -96.9 | 0 | 0 | 0 | 112.1 | R268 L269 P273 K274 C280 K281 L464 I545 | R268-Y277 PolarHBondContact NH1-OH 3.29Å; R268-Y277 VanDerWaalsContact NH1-OH 3.09Å; R268-Y277 VanDerWaalsContact NH2-CE1 3.28Å; R268-Y277 PolarHBondContact NH2-OH 3.47Å; L269-Y277 HydrophobicContact CD1-CD1 4.33Å; L269-Y277 HydrophobicContact CD2-CD1 3.68Å; L269-Y277 HydrophobicContact CD2-CD2 3.73Å; L269-Y277 HydrophobicContact CD2-CE1 4.21Å; L269-Y277 HydrophobicContact CD2-CE2 4.26Å; L269-Y277 HydrophobicContact CD2-CG 3.41Å; L269-Y277 VanDerWaalsContact CD2-CG 3.41Å; P273-Y277 PolarHBondContact O-N 3.02Å; K274-Y277 PolarHBondContact O-N 3.31Å; Y277-C280 PolarHBondContact O-N 3.4Å; Y277-K281 HydrophobicContact CE1-CD 4.32Å; Y277-K281 WeakPolarHBondContact O-CB 3.38Å; Y277-K281 PolarHBondContact O-N 2.97Å; Y277-L464 HydrophobicContact CD2-CD1 4.47Å; Y277-I545 HydrophobicContact CE2-CG2 4.14Å |
| 278 | M | 97.5 | Very high | 95.6 | Very high | 15 Ų | 15 | 27.7 Ų | 27.7 | 7% | 0.074 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.5 | -41 | -177.8 | -70.2 | -59.7 | -64.6 | 0 | 0 | 111.7 | K274 I275 I276 K281 L282 W400 F403 D404 | K274-M278 HydrophobicContact CG-CG 4Å; K274-M278 WeakPolarHBondContact O-CB 3.39Å; K274-M278 WeakPolarHBondContact O-CG 3.43Å; K274-M278 PolarHBondContact O-N 3.07Å; I275-M278 PolarHBondContact O-N 3.47Å; I276-M278 PolarHBondContact O-N 2.82Å; M278-K281 HydrophobicContact CE-CD 4.3Å; M278-K281 PolarHBondContact O-N 2.96Å; M278-K281 HydrophobicContact SD-CD 4.15Å; M278-L282 WeakPolarHBondContact O-CG 3.47Å; M278-L282 PolarHBondContact O-N 3.01Å; M278-W400 HydrophobicContact CB-CZ3 3.89Å; M278-W400 HydrophobicContact CG-CE3 4.02Å; M278-W400 HydrophobicContact CG-CZ3 3.72Å; M278-F403 HydrophobicContact CB-CD1 4.25Å; M278-F403 HydrophobicContact CB-CE1 3.96Å; M278-D404 HydrophobicContact CE-CB 4.18Å; M278-D404 WeakPolarHBondContact CE-OD1 3.03Å |
| 279 | C | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.9 | -47.2 | 174.3 | -64.3 | 0 | 0 | 0 | 0 | 111.1 | I275 I276 K281 L282 L283 L413 I417 | I275-C279 PolarHBondContact O-N 2.66Å; I275-C279 PolarHBondContact O-SG 2.92Å; I276-C279 PolarHBondContact O-N 3.04Å; C279-K281 PolarHBondContact O-N 3.02Å; C279-L282 PolarHBondContact O-N 3.42Å; C279-L283 VanDerWaalsContact O-CG 3.3Å; C279-L283 WeakPolarHBondContact O-CG 3.22Å; C279-L283 PolarHBondContact O-N 2.86Å; C279-L413 HydrophobicContact CB-CB 4.46Å; C279-I417 HydrophobicContact CB-CD1 3.62Å; C279-I417 HydrophobicContact CB-CG1 3.57Å |
| 280 | C | 97.3 | Very high | 95 | Very high | 4 Ų | 4 | 27.9 Ų | 27.9 | 3% | 0.027 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.9 | -40.5 | 176.7 | -64.9 | 0 | 0 | 0 | 0 | 112.4 | I276 Y277 L282 L283 V284 L464 | I276-C280 WeakPolarHBondContact O-CB 3.26Å; I276-C280 PolarHBondContact O-N 2.97Å; I276-C280 PolarHBondContact O-SG 3.45Å; Y277-C280 PolarHBondContact O-N 3.4Å; C280-L282 VanDerWaalsContact C-N 3.35Å; C280-L282 PolarHBondContact O-N 3.26Å; C280-L283 PolarHBondContact O-N 3.48Å; C280-V284 WeakPolarHBondContact O-CG2 3.24Å; C280-V284 PolarHBondContact O-N 3.15Å; C280-L464 HydrophobicContact CB-CD1 4.04Å; C280-L464 HydrophobicContact CB-CD2 4.34Å; C280-L464 HydrophobicContact CB-CG 4.21Å |
| 281 | K | 95.4 | Very high | 94 | Very high | 67 Ų | 67 | 24.9 Ų | 24.9 | 29% | 0.291 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -58.7 | -46.2 | 175.5 | -179.4 | -163.1 | 171.4 | -156 | 0 | 111 | Y277 M278 C279 V284 R285 D404 | Y277-K281 HydrophobicContact CE1-CD 4.32Å; Y277-K281 WeakPolarHBondContact O-CB 3.38Å; Y277-K281 PolarHBondContact O-N 2.97Å; M278-K281 HydrophobicContact CE-CD 4.3Å; M278-K281 PolarHBondContact O-N 2.96Å; M278-K281 HydrophobicContact SD-CD 4.15Å; C279-K281 PolarHBondContact O-N 3.02Å; K281-V284 PolarHBondContact O-N 3.36Å; K281-R285 PolarHBondContact O-N 3.36Å; K281-D404 IonicContact NZ-OD1 2.72Å; K281-D404 PolarHBondContact NZ-OD1 3.07Å; K281-D404 IonicContact NZ-OD2 3.71Å; K281-D404 PolarHBondContact NZ-OD2 3.28Å |
| 282 | L | 96.5 | Very high | 92.5 | Very high | 7 Ų | 7 | 25.5 Ų | 25.5 | 4% | 0.037 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -70.8 | -38.2 | 179.7 | -68.3 | 178.7 | 0 | 0 | 0 | 112.2 | M278 C279 C280 V284 R285 I286 F403 F408 L413 | M278-L282 WeakPolarHBondContact O-CG 3.47Å; M278-L282 PolarHBondContact O-N 3.01Å; C279-L282 PolarHBondContact O-N 3.42Å; C280-L282 VanDerWaalsContact C-N 3.35Å; C280-L282 PolarHBondContact O-N 3.26Å; L282-V284 VanDerWaalsContact C-N 3.34Å; L282-V284 PolarHBondContact O-N 2.93Å; L282-R285 WeakPolarHBondContact O-CB 3.47Å; L282-R285 PolarHBondContact O-N 2.86Å; L282-R285 VanDerWaalsContact O-N 3.15Å; L282-I286 WeakPolarHBondContact O-CG1 3.34Å; L282-I286 PolarHBondContact O-N 3.15Å; L282-F403 HydrophobicContact CD1-CD1 3.65Å; L282-F403 HydrophobicContact CD1-CE1 3.36Å; L282-F403 HydrophobicContact CD1-CG 4.38Å; L282-F403 HydrophobicContact CD1-CZ 3.87Å; L282-F403 HydrophobicContact CG-CE1 4.48Å; L282-F408 HydrophobicContact CD1-CD2 3.97Å; L282-F408 HydrophobicContact CD1-CE2 4Å; L282-L413 HydrophobicContact CB-CD1 3.65Å; L282-L413 HydrophobicContact CB-CD2 4.35Å; L282-L413 HydrophobicContact CD1-CD2 3.96Å |
| 283 | L | 96.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59 | -45.5 | 172.6 | -72.3 | 170.8 | 0 | 0 | 0 | 111.2 | C279 C280 R285 I286 I287 V369 P410 L413 V414 I417 L468 | C279-L283 VanDerWaalsContact O-CG 3.3Å; C279-L283 WeakPolarHBondContact O-CG 3.22Å; C279-L283 PolarHBondContact O-N 2.86Å; C280-L283 PolarHBondContact O-N 3.48Å; L283-R285 VanDerWaalsContact C-N 3.32Å; L283-R285 PolarHBondContact O-N 3.16Å; L283-I286 WeakPolarHBondContact O-CB 3.4Å; L283-I286 PolarHBondContact O-N 3.35Å; L283-I286 VanDerWaalsContact O-N 3.16Å; L283-I287 WeakPolarHBondContact O-CG1 3.49Å; L283-I287 PolarHBondContact O-N 3.4Å; L283-V369 HydrophobicContact CB-CG1 4.33Å; L283-V369 HydrophobicContact CD2-CG1 4.06Å; L283-V369 HydrophobicContact CD2-CG2 4.05Å; L283-P410 HydrophobicContact CD2-CB 4.04Å; L283-L413 HydrophobicContact CD2-CB 3.96Å; L283-L413 HydrophobicContact CD2-CD1 3.86Å; L283-L413 HydrophobicContact CG-CB 4.09Å; L283-L413 HydrophobicContact CG-CD1 3.96Å; L283-V414 HydrophobicContact CD1-CG2 4.26Å; L283-V414 HydrophobicContact CD2-CG2 4.32Å; L283-I417 HydrophobicContact CD1-CD1 4.06Å; L283-L468 HydrophobicContact CB-CD1 3.99Å; L283-L468 HydrophobicContact CD1-CD2 4.03Å |
| 284 | V | 94.5 | Very high | 88 | Confident | 8 Ų | 8 | 32.8 Ų | 32.8 | 5% | 0.048 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.9 | -35.5 | 175.5 | 176.7 | 0 | 0 | 0 | 0 | 112.1 | C280 K281 L282 I286 I287 V288 L468 Y471 I545 | C280-V284 WeakPolarHBondContact O-CG2 3.24Å; C280-V284 PolarHBondContact O-N 3.15Å; K281-V284 PolarHBondContact O-N 3.36Å; L282-V284 VanDerWaalsContact C-N 3.34Å; L282-V284 PolarHBondContact O-N 2.93Å; V284-I286 VanDerWaalsContact C-N 3.3Å; V284-I286 PolarHBondContact O-N 3.42Å; V284-I287 PolarHBondContact O-N 3.15Å; V284-V288 HydrophobicContact CG1-CG2 4.05Å; V284-V288 WeakPolarHBondContact O-CG2 3.38Å; V284-V288 PolarHBondContact O-N 3.05Å; V284-L468 HydrophobicContact CG2-CD1 3.64Å; V284-Y471 HydrophobicContact CB-CD2 4.48Å; V284-Y471 HydrophobicContact CG1-CD1 3.61Å; V284-Y471 HydrophobicContact CG1-CD2 3.89Å; V284-Y471 HydrophobicContact CG1-CE1 3.74Å; V284-Y471 HydrophobicContact CG1-CE2 4.03Å; V284-Y471 HydrophobicContact CG1-CG 3.71Å; V284-Y471 HydrophobicContact CG2-CD2 3.69Å; V284-Y471 HydrophobicContact CG2-CE2 4.27Å; V284-Y471 HydrophobicContact CG2-CG 3.96Å; V284-I545 HydrophobicContact CB-CD1 3.57Å; V284-I545 HydrophobicContact CG1-CD1 3.49Å; V284-I545 VanDerWaalsContact CG1-CD1 3.49Å; V284-I545 HydrophobicContact CG2-CD1 3.86Å |
| 285 | R | 93.3 | Very high | 84.7 | Confident | 129 Ų | 129 | 40.4 Ų | 40.4 | 49% | 0.487 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -57.7 | -45.1 | 171.8 | -177.8 | -179.2 | 175.8 | 179 | -2.7 | 111 | K281 L282 L283 V288 T289 D404 | K281-R285 PolarHBondContact O-N 3.36Å; L282-R285 WeakPolarHBondContact O-CB 3.47Å; L282-R285 PolarHBondContact O-N 2.86Å; L282-R285 VanDerWaalsContact O-N 3.15Å; L283-R285 VanDerWaalsContact C-N 3.32Å; L283-R285 PolarHBondContact O-N 3.16Å; R285-V288 PolarHBondContact O-N 2.9Å; R285-T289 HydrophobicContact CG-CG2 4.26Å; R285-T289 WeakPolarHBondContact O-CG2 3.25Å; R285-T289 PolarHBondContact O-N 3.48Å; R285-T289 PolarHBondContact O-OG1 3.4Å; R285-D404 PolarHBondContact NH1-O 2.84Å; R285-D404 VanDerWaalsContact NH1-O 3.16Å |
| 286 | I | 94.5 | Very high | 81.3 | Confident | 11 Ų | 11 | 46.9 Ų | 46.9 | 6% | 0.056 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 176.8 | -64.5 | 168.2 | 0 | 0 | 0 | 111.1 | L282 L283 V284 V288 G290 T292 V369 P410 L413 | L282-I286 WeakPolarHBondContact O-CG1 3.34Å; L282-I286 PolarHBondContact O-N 3.15Å; L283-I286 WeakPolarHBondContact O-CB 3.4Å; L283-I286 PolarHBondContact O-N 3.35Å; L283-I286 VanDerWaalsContact O-N 3.16Å; V284-I286 VanDerWaalsContact C-N 3.3Å; V284-I286 PolarHBondContact O-N 3.42Å; I286-V288 VanDerWaalsContact C-N 3.34Å; I286-V288 PolarHBondContact O-N 3.29Å; I286-G290 WeakPolarHBondContact O-CA 3.45Å; I286-G290 PolarHBondContact O-N 3.02Å; I286-T292 HydrophobicContact CG2-CG2 3.96Å; I286-V369 HydrophobicContact CB-CG2 4.13Å; I286-V369 HydrophobicContact CG2-CG2 3.86Å; I286-P410 HydrophobicContact CD1-CG 3.91Å; I286-P410 HydrophobicContact CG2-CG 4.13Å; I286-L413 HydrophobicContact CD1-CD1 3.96Å |
| 287 | I | 92.4 | Very high | 77.8 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.4 | -50 | 175.3 | -65.3 | 168.6 | 0 | 0 | 0 | 110.3 | L283 V284 Q362 A366 V369 L468 L472 | L283-I287 WeakPolarHBondContact O-CG1 3.49Å; L283-I287 PolarHBondContact O-N 3.4Å; V284-I287 PolarHBondContact O-N 3.15Å; I287-Q362 WeakPolarHBondContact O-CA 3.17Å; I287-Q362 WeakPolarHBondContact O-CG 3.41Å; I287-A366 HydrophobicContact CG2-CB 4.19Å; I287-V369 HydrophobicContact CD1-CB 4.39Å; I287-V369 HydrophobicContact CD1-CG1 4.03Å; I287-V369 HydrophobicContact CG1-CB 3.96Å; I287-V369 HydrophobicContact CG1-CG1 4.14Å; I287-V369 HydrophobicContact CG1-CG2 3.91Å; I287-L468 HydrophobicContact CD1-CD1 4.2Å; I287-L472 HydrophobicContact CD1-CD2 3.49Å; I287-L472 VanDerWaalsContact CD1-CD2 3.49Å; I287-L472 HydrophobicContact CD1-CG 3.9Å; I287-L472 HydrophobicContact CG1-CD2 3.93Å |
| 288 | V | 89.9 | Confident | 74.4 | Confident | 76 Ų | 76 | 59.1 Ų | 59.1 | 46% | 0.461 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -73.9 | -38.1 | -173.3 | 173.2 | 0 | 0 | 0 | 0 | 112.5 | V284 R285 I286 | V284-V288 HydrophobicContact CG1-CG2 4.05Å; V284-V288 WeakPolarHBondContact O-CG2 3.38Å; V284-V288 PolarHBondContact O-N 3.05Å; R285-V288 PolarHBondContact O-N 2.9Å; I286-V288 VanDerWaalsContact C-N 3.34Å; I286-V288 PolarHBondContact O-N 3.29Å |
| 289 | T | 88.9 | Confident | 70.9 | Confident | 58 Ų | 58 | 62.6 Ų | 62.6 | 36% | 0.356 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -92.6 | -17.4 | -175.7 | 69.2 | 0 | 0 | 0 | 0 | 113.7 | R285 C291 | R285-T289 HydrophobicContact CG-CG2 4.26Å; R285-T289 WeakPolarHBondContact O-CG2 3.25Å; R285-T289 PolarHBondContact O-N 3.48Å; R285-T289 PolarHBondContact O-OG1 3.4Å; T289-C291 PolarHBondContact O-N 3.4Å; T289-C291 VanDerWaalsContact O-N 3.1Å; T289-C291 PolarHBondContact OG1-N 3.27Å |
| 290 | G | 84.3 | Confident | 67.4 | Low | 11 Ų | 11 | 69.4 Ų | 69.4 | 11% | 0.113 | 39% | 0.389 | C | S | . | . | trans | 69.4 | -3.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | I286 T292 N361 | I286-G290 WeakPolarHBondContact O-CA 3.45Å; I286-G290 PolarHBondContact O-N 3.02Å; G290-T292 PolarHBondContact O-N 3.49Å; G290-N361 WeakPolarHBondContact CA-O 3.3Å | ||
| 291 | C | 75.9 | Confident | 64.1 | Low | 82 Ų | 82 | 77.3 Ų | 77.3 | 55% | 0.554 | 43% | 0.425 | S | S | * | . | trans | -74.5 | 100.6 | -177.9 | -56.7 | 0 | 0 | 0 | 0 | 109.9 | T289 | T289-C291 PolarHBondContact O-N 3.4Å; T289-C291 VanDerWaalsContact O-N 3.1Å; T289-C291 PolarHBondContact OG1-N 3.27Å | ||
| 292 | T | 63.9 | Low | 60.5 | Low | 37 Ų | 37 | 84.9 Ų | 84.9 | 23% | 0.227 | 45% | 0.452 | C | S | . | . | trans | -97.1 | 153.3 | 164.7 | 60.9 | 0 | 0 | 0 | 0 | 108.8 | I286 G290 V294 | I286-T292 HydrophobicContact CG2-CG2 3.96Å; G290-T292 PolarHBondContact O-N 3.49Å; T292-V294 PolarHBondContact O-N 2.93Å | ||
| 293 | S | 60.7 | Low | 57 | Low | 58 Ų | 58 | 91.1 Ų | 91.1 | 41% | 0.406 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -70.5 | 18 | 177 | 60.7 | 0 | 0 | 0 | 0 | 113.9 | Q295 N409 | S293-Q295 VanDerWaalsContact C-N 3.3Å; S293-Q295 PolarHBondContact O-N 2.89Å; S293-N409 PolarHBondContact OG-N 3.41Å |
| 294 | V | 38.5 | Very low | 53.4 | Low | 97 Ų | 97 | 101.8 Ų | 101.8 | 59% | 0.588 | 53% | 0.526 | S | S | * | . | trans | -84.7 | 74.9 | -178.8 | -168.2 | 0 | 0 | 0 | 0 | 109.5 | T292 I296 | T292-V294 PolarHBondContact O-N 2.93Å; V294-I296 HydrophobicContact CG1-CD1 4.07Å; V294-I296 HydrophobicContact CG1-CG1 3.98Å | ||
| 295 | Q | 28.8 | Very low | 49.9 | Very low | 184 Ų | 184 | 108 Ų | 108 | 86% | 0.86 | 56% | 0.557 | S | S | * | * | trans | -95.7 | 95.6 | 151.8 | -74.5 | -172.2 | -16.1 | 0 | 0 | 107.3 | S293 | S293-Q295 VanDerWaalsContact C-N 3.3Å; S293-Q295 PolarHBondContact O-N 2.89Å | ||
| 296 | I | 24.6 | Very low | 46.3 | Very low | 137 Ų | 137 | 107.7 Ų | 107.7 | 70% | 0.703 | 57% | 0.569 | S | S | * | * | trans | -95.5 | 81.1 | 161.4 | -55.9 | 172.2 | 0 | 0 | 0 | 105.9 | V294 | V294-I296 HydrophobicContact CG1-CD1 4.07Å; V294-I296 HydrophobicContact CG1-CG1 3.98Å | ||
| 297 | D | 24.9 | Very low | 42.8 | Very low | 148 Ų | 148 | 111.6 Ų | 111.6 | 79% | 0.791 | 60% | 0.598 | S | S | * | * | trans | -108.8 | 90.3 | 159.9 | -88.1 | -27.8 | 0 | 0 | 0 | 108.5 | S299 | D297-S299 PolarHBondContact O-N 3.32Š| ||
| 298 | S | 24.6 | Very low | 39.4 | Very low | 113 Ų | 113 | 118.5 Ų | 118.5 | 79% | 0.79 | 64% | 0.635 | S | S | * | * | trans | -68.7 | 78.3 | 157.8 | -69.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 299 | S | 25.5 | Very low | 36.1 | Very low | 87 Ų | 87 | 122.3 Ų | 122.3 | 61% | 0.608 | 65% | 0.647 | S | S | * | * | trans | 174.8 | 131.5 | 147.1 | 41.3 | 0 | 0 | 0 | 0 | 111.7 | D297 | D297-S299 PolarHBondContact O-N 3.32Š| ||
| 300 | N | 25 | Very low | 32.8 | Very low | 143 Ų | 143 | 125.7 Ų | 125.7 | 77% | 0.765 | 66% | 0.664 | S | S | * | * | trans | 64.6 | 103.2 | 156.3 | -56.5 | -20.4 | 0 | 0 | 0 | 117.3 | ||||
| 301 | H | 26.6 | Very low | 29.8 | Very low | 170 Ų | 170 | 132.5 Ų | 132.5 | 79% | 0.787 | 70% | 0.697 | S | S | * | * | -174.8 | 121.2 | 74.3 | -120.3 | -69.1 | 0 | 0 | 0 | 112.3 | |||||
| 302 | R | 19.4 | Very low | 27.2 | Very low | 226 Ų | 226 | 133.2 Ų | 133.2 | 85% | 0.853 | 70% | 0.702 | S | S | * | * | trans | -72.3 | 132.9 | 146.7 | -76.8 | 173.4 | 169.8 | 165.6 | -3.3 | 107.9 | ||||
| 303 | N | 23.4 | Very low | 25.2 | Very low | 139 Ų | 139 | 139.5 Ų | 139.5 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | trans | 148.1 | 101.8 | 144.4 | -76.2 | -20 | 0 | 0 | 0 | 108.4 | ||||
| 304 | R | 22 | Very low | 23.2 | Very low | 224 Ų | 224 | 141.7 Ų | 141.7 | 85% | 0.845 | 74% | 0.744 | S | S | * | * | 81.4 | 125.7 | 81.8 | -111.8 | -172.5 | 175.5 | 168.5 | 0.6 | 113.8 | |||||
| 305 | I | 20.9 | Very low | 22.4 | Very low | 137 Ų | 137 | 143.7 Ų | 143.7 | 70% | 0.703 | 76% | 0.757 | S | S | * | * | trans | 102.1 | 99.1 | 142.3 | -60.6 | 158 | 0 | 0 | 0 | 118.4 | ||||
| 306 | V | 18.6 | Very low | 22.1 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 75% | 0.745 | 76% | 0.759 | S | S | * | * | 17.5 | 129.1 | 119.8 | -160.2 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 307 | S | 20.3 | Very low | 21.8 | Very low | 94 Ų | 94 | 147.9 Ų | 147.9 | 66% | 0.657 | 77% | 0.767 | S | S | * | * | 152 | 122.3 | 112.3 | -50 | 0 | 0 | 0 | 0 | 112 | |||||
| 308 | D | 20.5 | Very low | 21.6 | Very low | 145 Ų | 145 | 148.9 Ų | 148.9 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | trans | 60 | 131 | 131.4 | -68.5 | -17 | 0 | 0 | 0 | 124.6 | ||||
| 309 | E | 20.2 | Very low | 21.5 | Very low | 155 Ų | 155 | 148.3 Ų | 148.3 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | trans | 99.9 | 116.1 | 130.1 | -84.2 | -176 | -168.5 | 0 | 0 | 122.5 | ||||
| 310 | N | 21.3 | Very low | 21.1 | Very low | 130 Ų | 130 | 150.2 Ų | 150.2 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | 89.9 | 113.6 | 128.2 | -67.7 | -26 | 0 | 0 | 0 | 122.1 | |||||
| 311 | N | 21.3 | Very low | 20.8 | Very low | 153 Ų | 153 | 149.4 Ų | 149.4 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | 104.6 | 124.5 | 124.1 | -121.5 | -5.4 | 0 | 0 | 0 | 121.3 | |||||
| 312 | C | 21.1 | Very low | 20.5 | Very low | 97 Ų | 97 | 146.1 Ų | 146.1 | 66% | 0.655 | 77% | 0.77 | S | S | * | * | trans | 107.7 | 97.8 | 131.9 | -140.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 313 | Q | 20.3 | Very low | 20.4 | Very low | 169 Ų | 169 | 141.3 Ų | 141.3 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | 52.1 | 121 | 123 | -58.1 | -180 | 3.6 | 0 | 0 | 123.3 | |||||
| 314 | S | 19.9 | Very low | 20.2 | Very low | 105 Ų | 105 | 140 Ų | 140 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | 66.9 | 116.8 | 128.8 | -65.5 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 315 | T | 21.3 | Very low | 20.1 | Very low | 139 Ų | 139 | 137.6 Ų | 137.6 | 85% | 0.853 | 76% | 0.761 | S | S | * | * | -174.8 | 127.7 | 115.8 | 27.2 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 316 | K | 21.8 | Very low | 20.1 | Very low | 209 Ų | 209 | 135.6 Ų | 135.6 | 91% | 0.909 | 76% | 0.759 | S | S | * | * | trans | 36 | 129.3 | 146.4 | -68.9 | 178.9 | 177.5 | 175.6 | 0 | 124.1 | ||||
| 317 | K | 18 | Very low | 20.1 | Very low | 200 Ų | 200 | 137.9 Ų | 137.9 | 87% | 0.87 | 76% | 0.761 | S | S | * | * | trans | -47.9 | 145.9 | 164.5 | -64.4 | 170.1 | 171.6 | 178.9 | 0 | 117.8 | ||||
| 318 | L | 21.4 | Very low | 20.1 | Very low | 168 Ų | 168 | 138.4 Ų | 138.4 | 88% | 0.88 | 76% | 0.761 | S | S | * | * | -168.1 | 177.7 | 123.1 | -131.5 | 77 | 0 | 0 | 0 | 110.3 | |||||
| 319 | P | 22.9 | Very low | 20 | Very low | 102 Ų | 102 | 141.1 Ų | 141.1 | 66% | 0.662 | 77% | 0.766 | S | S | * | * | trans | -116 | 162.8 | -132.3 | 30.9 | -6.8 | 0 | 0 | 0 | 116.3 | ||||
| 320 | T | 18 | Very low | 20 | Very low | 126 Ų | 126 | 138.8 Ų | 138.8 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | trans | 24.2 | 111.6 | 154.2 | 50.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 321 | T | 18.4 | Very low | 20 | Very low | 127 Ų | 127 | 137.7 Ų | 137.7 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | 165.5 | 143.9 | 94.6 | -50.8 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 322 | S | 19.2 | Very low | 19.9 | Very low | 101 Ų | 101 | 136.4 Ų | 136.4 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | 69 | 117.6 | 159.2 | 53.1 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 323 | V | 18.7 | Very low | 20 | Very low | 125 Ų | 125 | 140.5 Ų | 140.5 | 76% | 0.758 | 78% | 0.776 | S | S | * | * | 95 | 117.4 | 121.3 | 172 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 324 | T | 19.1 | Very low | 20.4 | Very low | 110 Ų | 110 | 137 Ų | 137 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | trans | 58.7 | 120.4 | 148.2 | 53.2 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 325 | Q | 19.3 | Very low | 20.5 | Very low | 174 Ų | 174 | 138.7 Ų | 138.7 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | 65.9 | 121.2 | 124.6 | -68.5 | -175.7 | -1.8 | 0 | 0 | 120.8 | |||||
| 326 | S | 19.8 | Very low | 20.4 | Very low | 95 Ų | 95 | 140 Ų | 140 | 66% | 0.664 | 77% | 0.765 | S | S | * | * | trans | 94.6 | 126.3 | 130.2 | -65.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 327 | E | 19.6 | Very low | 20.3 | Very low | 171 Ų | 171 | 135.9 Ų | 135.9 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | trans | 98.8 | 117.4 | 133.5 | -74.9 | 169.6 | -155.9 | 0 | 0 | 122.3 | ||||
| 328 | V | 19.8 | Very low | 20.5 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 64% | 0.642 | 76% | 0.756 | S | S | * | * | 70.6 | 125.2 | 126.6 | -178.4 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 329 | F | 19.4 | Very low | 20.4 | Very low | 202 Ų | 202 | 134.1 Ų | 134.1 | 89% | 0.886 | 75% | 0.754 | S | S | * | * | trans | -157.7 | 107.1 | 136.1 | -96 | -80.3 | 0 | 0 | 0 | 107.8 | ||||
| 330 | T | 20.4 | Very low | 20.3 | Very low | 106 Ų | 106 | 136.6 Ų | 136.6 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | 39.1 | 123.5 | 94.6 | 36.5 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 331 | S | 21.2 | Very low | 20.5 | Very low | 106 Ų | 106 | 137 Ų | 137 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | 161 | 135.7 | 102.7 | 64.8 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 332 | C | 19.2 | Very low | 20.6 | Very low | 126 Ų | 126 | 138.3 Ų | 138.3 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | 176.2 | 148.4 | 113.3 | -96.7 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 333 | Q | 23.1 | Very low | 21 | Very low | 183 Ų | 183 | 138.1 Ų | 138.1 | 86% | 0.855 | 77% | 0.77 | S | S | * | * | trans | -77.8 | -173.2 | -179.6 | -61.9 | -118.2 | -41 | 0 | 0 | 112 | ||||
| 334 | P | 27.4 | Very low | 21 | Very low | 96 Ų | 96 | 137.8 Ų | 137.8 | 62% | 0.623 | 77% | 0.769 | S | S | * | * | cis | -138.1 | 171.7 | 2.1 | 36.6 | -15.2 | 0 | 0 | 0 | 115.9 | ||||
| 335 | D | 21.7 | Very low | 21.2 | Very low | 140 Ų | 140 | 138.6 Ų | 138.6 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | 159.8 | 132.9 | 119.3 | -85.8 | -21.2 | 0 | 0 | 0 | 115.3 | |||||
| 336 | E | 20.2 | Very low | 21.1 | Very low | 168 Ų | 168 | 136.9 Ų | 136.9 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | 53.4 | 117.2 | 147.6 | -64.5 | -169 | 153.3 | 0 | 0 | 124.2 | ||||
| 337 | T | 19.4 | Very low | 21.2 | Very low | 121 Ų | 121 | 138 Ų | 138 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | trans | 48.4 | 120.9 | 139.2 | 54.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 338 | T | 22.6 | Very low | 21.3 | Very low | 136 Ų | 136 | 136.1 Ų | 136.1 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | -173.5 | 151 | 87.5 | -61.4 | 0 | 0 | 0 | 0 | 111 | |||||
| 339 | K | 19.9 | Very low | 21.3 | Very low | 196 Ų | 196 | 142.3 Ų | 142.3 | 85% | 0.852 | 79% | 0.79 | S | S | * | * | trans | -41.8 | 136.8 | -178.3 | -68.5 | 169.9 | 175.9 | 175.2 | 0 | 118.6 | ||||
| 340 | L | 19.4 | Very low | 21.4 | Very low | 153 Ų | 153 | 136.3 Ų | 136.3 | 80% | 0.801 | 79% | 0.785 | S | S | * | * | trans | 59.3 | 112.9 | 132.7 | -134 | 84.7 | 0 | 0 | 0 | 119.3 | ||||
| 341 | T | 22.4 | Very low | 21.4 | Very low | 135 Ų | 135 | 139.3 Ų | 139.3 | 83% | 0.828 | 79% | 0.792 | S | S | * | * | -175.7 | 145.9 | 111 | 26.5 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 342 | N | 21.8 | Very low | 21.5 | Very low | 154 Ų | 154 | 141.8 Ų | 141.8 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | -69.3 | 138.6 | -172.8 | -57 | -32.8 | 0 | 0 | 0 | 112.8 | ||||
| 343 | A | 25.8 | Very low | 21.9 | Very low | 97 Ų | 97 | 139 Ų | 139 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | trans | -149.6 | 98.1 | 144.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | V345 | A343-V345 PolarHBondContact O-N 3.23Š| ||
| 344 | T | 19.2 | Very low | 22.1 | Very low | 118 Ų | 118 | 139.3 Ų | 139.3 | 72% | 0.724 | 78% | 0.78 | S | S | * | * | trans | -62.7 | 120.7 | 171.1 | -34.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 345 | V | 23.4 | Very low | 22.1 | Very low | 128 Ų | 128 | 141 Ų | 141 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | -135.6 | 99.1 | 153.1 | -178.4 | 0 | 0 | 0 | 0 | 106.9 | A343 C347 | A343-V345 PolarHBondContact O-N 3.23Å; V345-C347 PolarHBondContact O-N 3.06Å | ||
| 346 | D | 18.2 | Very low | 22.7 | Very low | 138 Ų | 138 | 140.6 Ų | 140.6 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | trans | -59.1 | 122.6 | 163.1 | -78.9 | -44.7 | 0 | 0 | 0 | 109.3 | ||||
| 347 | C | 20.6 | Very low | 24 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | -128.6 | 98.8 | 152.4 | -77.8 | 0 | 0 | 0 | 0 | 106.9 | V345 | V345-C347 PolarHBondContact O-N 3.06Š| ||
| 348 | T | 21.5 | Very low | 25.4 | Very low | 132 Ų | 132 | 136.7 Ų | 136.7 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | trans | -50.4 | 141.5 | 174.3 | 31.8 | 0 | 0 | 0 | 0 | 112.6 | G350 | T348-G350 PolarHBondContact O-N 2.91Š| ||
| 349 | Y | 20.1 | Very low | 27.2 | Very low | 236 Ų | 236 | 135.4 Ų | 135.4 | 93% | 0.925 | 75% | 0.748 | S | S | * | * | trans | -54.3 | 104.5 | 163.2 | -86.7 | -97.9 | 0 | 0 | 0 | 109.4 | E351 | Y349-E351 PolarHBondContact O-N 3.45Š| ||
| 350 | G | 22.1 | Very low | 29.6 | Very low | 75 Ų | 75 | 130.6 Ų | 130.6 | 77% | 0.773 | 73% | 0.732 | S | S | * | * | trans | -85.8 | 91.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | T348 | T348-G350 PolarHBondContact O-N 2.91Š| ||
| 351 | E | 20.5 | Very low | 32 | Very low | 170 Ų | 170 | 127 Ų | 127 | 79% | 0.794 | 71% | 0.714 | S | S | * | * | trans | -54.7 | 143.2 | 153.7 | -68.7 | 177.9 | 153.5 | 0 | 0 | 109.2 | Y349 | Y349-E351 PolarHBondContact O-N 3.45Š| ||
| 352 | N | 22.9 | Very low | 34.4 | Very low | 158 Ų | 158 | 124.4 Ų | 124.4 | 85% | 0.845 | 69% | 0.692 | S | S | * | * | trans | 87.5 | 89 | 172 | -50.5 | -44.1 | 0 | 0 | 0 | 118 | ||||
| 353 | S | 26.9 | Very low | 37.2 | Very low | 68 Ų | 68 | 120.7 Ų | 120.7 | 48% | 0.476 | 68% | 0.678 | S | S | . | * | trans | -170.7 | 77.5 | 134.3 | -164.9 | 0 | 0 | 0 | 0 | 111 | N355 | S353-N355 VanDerWaalsContact C-N 3.3Å; S353-N355 PolarHBondContact O-N 3.37Å | ||
| 354 | Q | 27.6 | Very low | 40.1 | Very low | 188 Ų | 188 | 120.5 Ų | 120.5 | 88% | 0.879 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -79.7 | 2.3 | -179.5 | -89.5 | -171 | -15.6 | 0 | 0 | 115.3 | ||
| 355 | N | 28.6 | Very low | 43.5 | Very low | 131 Ų | 131 | 114.9 Ų | 114.9 | 70% | 0.701 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -111.5 | -15.7 | -177.7 | -74.7 | -19.5 | 0 | 0 | 0 | 115.4 | S353 | S353-N355 VanDerWaalsContact C-N 3.3Å; S353-N355 PolarHBondContact O-N 3.37Å |
| 356 | Q | 33.3 | Very low | 46.7 | Very low | 133 Ų | 133 | 109.9 Ų | 109.9 | 62% | 0.621 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -79.9 | -27.8 | -176.1 | -72.4 | -177.8 | -10.4 | 0 | 0 | 114.5 | N360 | Q356-N360 VanDerWaalsContact O-CG 3.31Å; Q356-N360 PolarHBondContact O-N 3.36Å; Q356-N360 PolarHBondContact O-ND2 2.72Å |
| 357 | N | 47.3 | Very low | 50.3 | Low | 116 Ų | 116 | 106.7 Ų | 106.7 | 62% | 0.62 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -75.4 | -29.1 | -177.4 | -86.7 | -23.2 | 0 | 0 | 0 | 113.9 | N361 | N357-N361 PolarHBondContact O-N 3.01Å; N357-N361 PolarHBondContact O-ND2 2.81Å |
| 358 | V | 50 | Low | 53.7 | Low | 91 Ų | 91 | 102.5 Ų | 102.5 | 55% | 0.552 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -74 | -46.3 | -178.1 | -179.1 | 0 | 0 | 0 | 0 | 110.8 | N360 N361 Q362 | V358-N360 VanDerWaalsContact C-N 3.33Å; V358-N360 PolarHBondContact O-N 3.23Å; V358-N361 PolarHBondContact O-N 2.82Å; V358-Q362 PolarHBondContact O-N 2.81Å |
| 359 | D | 59 | Low | 57.3 | Low | 108 Ų | 108 | 96.2 Ų | 96.2 | 58% | 0.578 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.8 | -39.5 | 178.9 | -69.6 | -22.4 | 0 | 0 | 0 | 111.7 | S363 | D359-S363 WeakPolarHBondContact O-CB 3.31Å; D359-S363 PolarHBondContact O-N 3.34Å |
| 360 | N | 70.7 | Confident | 60.9 | Low | 96 Ų | 96 | 86.3 Ų | 86.3 | 51% | 0.513 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65 | -45.2 | 177 | -75.5 | -16.2 | 0 | 0 | 0 | 112.5 | Q356 V358 S363 I364 | Q356-N360 VanDerWaalsContact O-CG 3.31Å; Q356-N360 PolarHBondContact O-N 3.36Å; Q356-N360 PolarHBondContact O-ND2 2.72Å; V358-N360 VanDerWaalsContact C-N 3.33Å; V358-N360 PolarHBondContact O-N 3.23Å; N360-S363 WeakPolarHBondContact O-CB 3.41Å; N360-S363 PolarHBondContact O-N 3.47Å; N360-I364 WeakPolarHBondContact O-CG1 3.25Å; N360-I364 PolarHBondContact O-N 3.34Å |
| 361 | N | 69.4 | Low | 64.3 | Low | 78 Ų | 78 | 89.1 Ų | 89.1 | 42% | 0.417 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 179.1 | -77.9 | -16 | 0 | 0 | 0 | 111.8 | G290 N357 V358 S363 I364 G365 | G290-N361 WeakPolarHBondContact CA-O 3.3Å; N357-N361 PolarHBondContact O-N 3.01Å; N357-N361 PolarHBondContact O-ND2 2.81Å; V358-N361 PolarHBondContact O-N 2.82Å; N361-S363 VanDerWaalsContact C-N 3.28Å; N361-S363 PolarHBondContact O-N 2.82Å; N361-I364 PolarHBondContact O-N 3.16Å; N361-G365 PolarHBondContact O-N 2.96Å |
| 362 | Q | 73.2 | Confident | 67.9 | Low | 79 Ų | 79 | 81.1 Ų | 81.1 | 37% | 0.369 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.2 | -39.1 | 175.3 | -175.4 | 172 | -5.8 | 0 | 0 | 111.5 | I287 V358 G365 A366 | I287-Q362 WeakPolarHBondContact O-CA 3.17Å; I287-Q362 WeakPolarHBondContact O-CG 3.41Å; V358-Q362 PolarHBondContact O-N 2.81Å; Q362-G365 PolarHBondContact O-N 3.47Å; Q362-A366 VanDerWaalsContact O-CB 3.28Å; Q362-A366 WeakPolarHBondContact O-CB 3.24Å; Q362-A366 PolarHBondContact O-N 3.16Å |
| 363 | S | 81.2 | Confident | 71.4 | Confident | 76 Ų | 76 | 73.9 Ų | 73.9 | 53% | 0.531 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 175 | -174.6 | 0 | 0 | 0 | 0 | 112.7 | D359 N360 N361 S367 | D359-S363 WeakPolarHBondContact O-CB 3.31Å; D359-S363 PolarHBondContact O-N 3.34Å; N360-S363 WeakPolarHBondContact O-CB 3.41Å; N360-S363 PolarHBondContact O-N 3.47Å; N361-S363 VanDerWaalsContact C-N 3.28Å; N361-S363 PolarHBondContact O-N 2.82Å; S363-S367 WeakPolarHBondContact O-CB 3.4Å; S363-S367 PolarHBondContact O-N 3.22Å |
| 364 | I | 87 | Confident | 74.6 | Confident | 94 Ų | 94 | 72 Ų | 72 | 48% | 0.482 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.5 | -47 | 178.1 | -66.3 | 163.4 | 0 | 0 | 0 | 110.6 | N360 N361 S367 S368 | N360-I364 WeakPolarHBondContact O-CG1 3.25Å; N360-I364 PolarHBondContact O-N 3.34Å; N361-I364 PolarHBondContact O-N 3.16Å; I364-S367 PolarHBondContact O-N 2.74Å; I364-S368 PolarHBondContact O-N 3.23Å |
| 365 | G | 90.1 | Very high | 77.7 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N361 Q362 S368 V369 | N361-G365 PolarHBondContact O-N 2.96Å; Q362-G365 PolarHBondContact O-N 3.47Å; G365-S368 PolarHBondContact O-N 3.44Å; G365-V369 WeakPolarHBondContact O-CG2 3.49Å; G365-V369 PolarHBondContact O-N 3.42Å |
| 366 | A | 91.7 | Very high | 80.5 | Confident | 22 Ų | 22 | 60.5 Ų | 60.5 | 18% | 0.182 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | I287 Q362 V369 L370 L472 | I287-A366 HydrophobicContact CG2-CB 4.19Å; Q362-A366 VanDerWaalsContact O-CB 3.28Å; Q362-A366 WeakPolarHBondContact O-CB 3.24Å; Q362-A366 PolarHBondContact O-N 3.16Å; A366-V369 PolarHBondContact O-N 3.02Å; A366-L370 VanDerWaalsContact O-CB 3.3Å; A366-L370 WeakPolarHBondContact O-CB 3.32Å; A366-L370 PolarHBondContact O-N 2.92Å; A366-L472 HydrophobicContact CB-CD2 4.25Å; A366-L472 WeakPolarHBondContact O-CD2 3.47Å |
| 367 | S | 91.8 | Very high | 83.2 | Confident | 71 Ų | 71 | 61.6 Ų | 61.6 | 50% | 0.497 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 178.2 | -170.4 | 0 | 0 | 0 | 0 | 112 | S363 I364 V369 L370 E371 | S363-S367 WeakPolarHBondContact O-CB 3.4Å; S363-S367 PolarHBondContact O-N 3.22Å; I364-S367 PolarHBondContact O-N 2.74Å; S367-V369 PolarHBondContact O-N 3.14Å; S367-L370 PolarHBondContact O-N 3.35Å; S367-E371 WeakPolarHBondContact O-CB 3.47Å; S367-E371 PolarHBondContact O-N 3.1Å |
| 368 | S | 93.4 | Very high | 85.4 | Confident | 30 Ų | 30 | 57.9 Ų | 57.9 | 21% | 0.21 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.1 | -40.1 | 179.7 | -175.6 | 0 | 0 | 0 | 0 | 112.3 | I364 G365 A372 | I364-S368 PolarHBondContact O-N 3.23Å; G365-S368 PolarHBondContact O-N 3.44Å; S368-A372 WeakPolarHBondContact O-CB 3.41Å; S368-A372 PolarHBondContact O-N 3.47Å |
| 369 | V | 96.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70.3 | -38.6 | 175.9 | 171.7 | 0 | 0 | 0 | 0 | 111.7 | L283 I286 I287 G365 A366 S367 A372 L373 P410 L472 | L283-V369 HydrophobicContact CB-CG1 4.33Å; L283-V369 HydrophobicContact CD2-CG1 4.06Å; L283-V369 HydrophobicContact CD2-CG2 4.05Å; I286-V369 HydrophobicContact CB-CG2 4.13Å; I286-V369 HydrophobicContact CG2-CG2 3.86Å; I287-V369 HydrophobicContact CD1-CB 4.39Å; I287-V369 HydrophobicContact CD1-CG1 4.03Å; I287-V369 HydrophobicContact CG1-CB 3.96Å; I287-V369 HydrophobicContact CG1-CG1 4.14Å; I287-V369 HydrophobicContact CG1-CG2 3.91Å; G365-V369 WeakPolarHBondContact O-CG2 3.49Å; G365-V369 PolarHBondContact O-N 3.42Å; A366-V369 PolarHBondContact O-N 3.02Å; S367-V369 PolarHBondContact O-N 3.14Å; V369-A372 PolarHBondContact O-N 3.17Å; V369-L373 HydrophobicContact CG1-CD1 3.83Å; V369-L373 HydrophobicContact CG1-CG 4.23Å; V369-L373 WeakPolarHBondContact O-CB 3.49Å; V369-L373 VanDerWaalsContact O-CG 3.27Å; V369-L373 WeakPolarHBondContact O-CG 3.39Å; V369-L373 PolarHBondContact O-N 3.24Å; V369-P410 HydrophobicContact CG2-CB 4.16Å; V369-P410 HydrophobicContact CG2-CG 4.1Å; V369-L472 HydrophobicContact CB-CD2 4.25Å; V369-L472 HydrophobicContact CG1-CD2 4.12Å |
| 370 | L | 95.7 | Very high | 89.4 | Confident | 28 Ų | 28 | 58.5 Ų | 58.5 | 15% | 0.147 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.1 | -50 | 174.6 | 176.2 | 64.3 | 0 | 0 | 0 | 111.2 | A366 S367 A372 L373 L374 L475 L483 | A366-L370 VanDerWaalsContact O-CB 3.3Å; A366-L370 WeakPolarHBondContact O-CB 3.32Å; A366-L370 PolarHBondContact O-N 2.92Å; S367-L370 PolarHBondContact O-N 3.35Å; L370-A372 VanDerWaalsContact C-N 3.34Å; L370-A372 PolarHBondContact O-N 3.21Å; L370-L373 PolarHBondContact O-N 3.03Å; L370-L374 HydrophobicContact CD1-CD1 3.98Å; L370-L374 HydrophobicContact CD1-CG 4.39Å; L370-L374 HydrophobicContact CG-CD1 4.26Å; L370-L374 WeakPolarHBondContact O-CG 3.29Å; L370-L374 PolarHBondContact O-N 3.16Å; L370-L374 VanDerWaalsContact O-N 3.11Å; L370-L475 HydrophobicContact CD1-CD2 4.41Å; L370-L475 HydrophobicContact CD2-CD2 4.01Å; L370-L483 HydrophobicContact CD1-CD1 3.76Å; L370-L483 HydrophobicContact CD1-CD2 4Å; L370-L483 HydrophobicContact CD1-CG 4Å |
| 371 | E | 94.1 | Very high | 90.7 | Very high | 134 Ų | 134 | 58 Ų | 58 | 63% | 0.626 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -59 | -46.1 | 176.9 | -175.8 | 179.8 | -179.4 | 0 | 0 | 111.3 | S367 L373 L374 T375 | S367-E371 WeakPolarHBondContact O-CB 3.47Å; S367-E371 PolarHBondContact O-N 3.1Å; E371-L373 PolarHBondContact O-N 3.12Å; E371-L374 PolarHBondContact O-N 3.27Å; E371-T375 PolarHBondContact O-N 2.9Å; E371-T375 PolarHBondContact O-OG1 3.2Å |
| 372 | A | 96 | Very high | 92 | Very high | 3 Ų | 3 | 54.4 Ų | 54.4 | 3% | 0.025 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S368 V369 L370 L374 T375 P410 L411 V414 | S368-A372 WeakPolarHBondContact O-CB 3.41Å; S368-A372 PolarHBondContact O-N 3.47Å; V369-A372 PolarHBondContact O-N 3.17Å; L370-A372 VanDerWaalsContact C-N 3.34Å; L370-A372 PolarHBondContact O-N 3.21Å; A372-L374 VanDerWaalsContact C-N 3.32Å; A372-L374 PolarHBondContact O-N 3.1Å; A372-T375 WeakPolarHBondContact O-CB 3.16Å; A372-T375 PolarHBondContact O-N 2.9Å; A372-P410 HydrophobicContact CB-CB 3.56Å; A372-L411 HydrophobicContact CB-CD2 3.8Å; A372-L411 HydrophobicContact CB-CG 4.06Å; A372-V414 HydrophobicContact CB-CG2 4.04Å; A372-V414 WeakPolarHBondContact O-CG1 3.45Å |
| 373 | L | 96 | Very high | 93.2 | Very high | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.1 | -39.3 | 177.6 | -75.3 | 168 | 0 | 0 | 0 | 111.8 | V369 L370 E371 T375 V414 L468 L472 L483 R486 W490 | V369-L373 HydrophobicContact CG1-CD1 3.83Å; V369-L373 HydrophobicContact CG1-CG 4.23Å; V369-L373 WeakPolarHBondContact O-CB 3.49Å; V369-L373 VanDerWaalsContact O-CG 3.27Å; V369-L373 WeakPolarHBondContact O-CG 3.39Å; V369-L373 PolarHBondContact O-N 3.24Å; L370-L373 PolarHBondContact O-N 3.03Å; E371-L373 PolarHBondContact O-N 3.12Å; L373-T375 VanDerWaalsContact C-N 3.27Å; L373-T375 PolarHBondContact O-N 3.4Å; L373-V414 HydrophobicContact CD2-CG2 3.86Å; L373-V414 HydrophobicContact CG-CG2 4.21Å; L373-L468 HydrophobicContact CD1-CD2 4.37Å; L373-L468 HydrophobicContact CD2-CD2 4.24Å; L373-L472 HydrophobicContact CD1-CD1 3.66Å; L373-L483 HydrophobicContact CB-CD2 3.63Å; L373-L483 HydrophobicContact CD1-CD2 3.92Å; L373-L483 HydrophobicContact CG-CD2 4.41Å; L373-R486 WeakPolarHBondContact O-CG 3.5Å; L373-R486 PolarHBondContact O-NE 3.38Å; L373-W490 HydrophobicContact CD2-CH2 3.85Å; L373-W490 HydrophobicContact CD2-CZ3 4.25Å |
| 374 | L | 94.3 | Very high | 94 | Very high | 30 Ų | 30 | 53.6 Ų | 53.6 | 16% | 0.157 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -78.3 | -11.1 | 178.8 | -64.7 | 178.2 | 0 | 0 | 0 | 113.5 | L370 E371 A372 M479 L482 L483 L499 | L370-L374 HydrophobicContact CD1-CD1 3.98Å; L370-L374 HydrophobicContact CD1-CG 4.39Å; L370-L374 HydrophobicContact CG-CD1 4.26Å; L370-L374 WeakPolarHBondContact O-CG 3.29Å; L370-L374 PolarHBondContact O-N 3.16Å; L370-L374 VanDerWaalsContact O-N 3.11Å; E371-L374 PolarHBondContact O-N 3.27Å; A372-L374 VanDerWaalsContact C-N 3.32Å; A372-L374 PolarHBondContact O-N 3.1Å; L374-M479 HydrophobicContact CD1-SD 4.01Å; L374-L482 HydrophobicContact CD2-CB 3.66Å; L374-L483 HydrophobicContact CD2-CD2 3.92Å; L374-L483 HydrophobicContact CD2-CG 4.32Å; L374-L483 HydrophobicContact CG-CD2 4.18Å; L374-L499 HydrophobicContact CB-CD1 4.29Å; L374-L499 HydrophobicContact CD2-CD1 4.42Å |
| 375 | T | 92.5 | Very high | 94.5 | Very high | 31 Ų | 31 | 52.5 Ų | 52.5 | 19% | 0.19 | 29% | 0.288 | C | S | . | . | trans | -72.3 | 132 | 177.8 | -62.4 | 0 | 0 | 0 | 0 | 111.3 | E371 A372 L373 E377 Y378 L411 R486 | E371-T375 PolarHBondContact O-N 2.9Å; E371-T375 PolarHBondContact O-OG1 3.2Å; A372-T375 WeakPolarHBondContact O-CB 3.16Å; A372-T375 PolarHBondContact O-N 2.9Å; L373-T375 VanDerWaalsContact C-N 3.27Å; L373-T375 PolarHBondContact O-N 3.4Å; T375-E377 WeakPolarHBondContact CG2-O 3.24Å; T375-Y378 HydrophobicContact CG2-CD1 4.48Å; T375-L411 HydrophobicContact CG2-CD2 3.68Å; T375-R486 PolarHBondContact O-NH2 3.48Å | ||
| 376 | T | 87.8 | Confident | 94.9 | Very high | 46 Ų | 46 | 52.5 Ų | 52.5 | 28% | 0.282 | 29% | 0.288 | S | S | . | . | trans | -112.7 | -19.6 | 176.9 | 55.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 377 | E | 90.7 | Very high | 95.2 | Very high | 155 Ų | 155 | 54.8 Ų | 54.8 | 72% | 0.724 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -116.7 | 130 | 179.1 | -66.4 | -177.6 | -176.3 | 0 | 0 | 109.3 | T375 | T375-E377 WeakPolarHBondContact CG2-O 3.24Š|
| 378 | Y | 94 | Very high | 95.4 | Very high | 38 Ų | 38 | 57.4 Ų | 57.4 | 15% | 0.149 | 30% | 0.295 | C | S | . | . | trans | -110.7 | 133.4 | -171.5 | -57.4 | -83.5 | 0 | 0 | 0 | 110.8 | T375 V382 L411 V414 K415 D418 R486 | T375-Y378 HydrophobicContact CG2-CD1 4.48Å; Y378-V382 HydrophobicContact CD1-CG1 4.17Å; Y378-L411 HydrophobicContact CD1-CD2 4.44Å; Y378-V414 HydrophobicContact CE1-CG1 4.48Å; Y378-K415 HydrophobicContact CD1-CB 3.89Å; Y378-K415 HydrophobicContact CD1-CD 4.18Å; Y378-K415 HydrophobicContact CD1-CG 4.33Å; Y378-K415 HydrophobicContact CD2-CD 4Å; Y378-K415 HydrophobicContact CD2-CG 4.25Å; Y378-K415 HydrophobicContact CE1-CB 3.67Å; Y378-K415 HydrophobicContact CE1-CG 4.32Å; Y378-K415 HydrophobicContact CE2-CB 4.41Å; Y378-K415 HydrophobicContact CE2-CD 4.48Å; Y378-K415 HydrophobicContact CE2-CG 4.23Å; Y378-K415 HydrophobicContact CG-CB 4.34Å; Y378-K415 HydrophobicContact CG-CD 3.81Å; Y378-K415 HydrophobicContact CG-CG 4.28Å; Y378-D418 WeakPolarHBondContact CE2-OD2 3.15Å; Y378-D418 PolarHBondContact OH-OD2 3.3Å; Y378-R486 PolarHBondContact OH-NH2 3.15Å; Y378-R486 VanDerWaalsContact OH-NH2 3.08Å | ||
| 379 | P | 95.4 | Very high | 95.7 | Very high | 65 Ų | 65 | 56.4 Ų | 56.4 | 42% | 0.422 | 29% | 0.286 | S | S | . | . | trans | -57.3 | 150 | 170.8 | -23.4 | 33.1 | 0 | 0 | 0 | 111.9 | S381 V382 V383 | P379-S381 PolarHBondContact O-N 3.01Å; P379-V382 HydrophobicContact CB-CG2 4.42Å; P379-V382 HydrophobicContact CG-CG2 4.38Å; P379-V382 WeakPolarHBondContact O-CB 3.48Å; P379-V382 PolarHBondContact O-N 2.96Å; P379-V383 WeakPolarHBondContact O-CG2 3.37Å; P379-V383 PolarHBondContact O-N 3.29Å; P379-V383 VanDerWaalsContact O-N 3.08Å | ||
| 380 | E | 97 | Very high | 95.7 | Very high | 148 Ų | 148 | 57.2 Ų | 57.2 | 69% | 0.692 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -57.2 | -35.2 | -178.5 | -167.6 | -176.1 | 169.5 | 0 | 0 | 112.8 | V382 V383 N384 | E380-V382 PolarHBondContact O-N 3.09Å; E380-V383 WeakPolarHBondContact O-CB 3.36Å; E380-V383 PolarHBondContact O-N 2.91Å; E380-N384 WeakPolarHBondContact O-CB 3.4Å; E380-N384 VanDerWaalsContact O-CG 3.29Å; E380-N384 PolarHBondContact O-N 3.19Å; E380-N384 PolarHBondContact O-ND2 3.43Å |
| 381 | S | 96.8 | Very high | 95.8 | Very high | 84 Ų | 84 | 62.3 Ų | 62.3 | 59% | 0.587 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -58.6 | -44.7 | 174.7 | 54.2 | 0 | 0 | 0 | 0 | 112.5 | P379 N384 E385 | P379-S381 PolarHBondContact O-N 3.01Å; S381-N384 PolarHBondContact O-N 3.04Å; S381-E385 WeakPolarHBondContact O-CB 3.22Å; S381-E385 PolarHBondContact O-N 3.31Å |
| 382 | V | 97.8 | Very high | 95.9 | Very high | 3 Ų | 3 | 57.1 Ų | 57.1 | 2% | 0.018 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.4 | -40 | 177.1 | 175.6 | 0 | 0 | 0 | 0 | 110.6 | Y378 P379 E380 T386 L411 V412 K415 | Y378-V382 HydrophobicContact CD1-CG1 4.17Å; P379-V382 HydrophobicContact CB-CG2 4.42Å; P379-V382 HydrophobicContact CG-CG2 4.38Å; P379-V382 WeakPolarHBondContact O-CB 3.48Å; P379-V382 PolarHBondContact O-N 2.96Å; E380-V382 PolarHBondContact O-N 3.09Å; V382-T386 WeakPolarHBondContact O-CB 3.32Å; V382-T386 PolarHBondContact O-N 3.08Å; V382-T386 PolarHBondContact O-OG1 3.18Å; V382-L411 HydrophobicContact CG1-CB 3.94Å; V382-L411 HydrophobicContact CG2-CB 3.98Å; V382-L411 HydrophobicContact CG2-CD1 4.25Å; V382-V412 HydrophobicContact CB-CG2 4.49Å; V382-V412 HydrophobicContact CG1-CG2 3.95Å; V382-V412 HydrophobicContact CG2-CG2 4.5Å; V382-K415 HydrophobicContact CG1-CB 4.32Å; V382-K415 HydrophobicContact CG1-CD 4.16Å |
| 383 | V | 97.4 | Very high | 95.9 | Very high | 47 Ų | 47 | 57 Ų | 57 | 29% | 0.285 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.9 | -49.2 | 176.1 | 178.6 | 0 | 0 | 0 | 0 | 110.6 | P379 E380 E385 T386 E387 K415 | P379-V383 WeakPolarHBondContact O-CG2 3.37Å; P379-V383 PolarHBondContact O-N 3.29Å; P379-V383 VanDerWaalsContact O-N 3.08Å; E380-V383 WeakPolarHBondContact O-CB 3.36Å; E380-V383 PolarHBondContact O-N 2.91Å; V383-E385 PolarHBondContact O-N 3.28Å; V383-T386 PolarHBondContact O-N 3.4Å; V383-E387 WeakPolarHBondContact O-CG 3.42Å; V383-E387 PolarHBondContact O-N 3.43Å; V383-K415 HydrophobicContact CG2-CD 4.35Å |
| 384 | N | 98.2 | Very high | 95.9 | Very high | 92 Ų | 92 | 58 Ų | 58 | 49% | 0.492 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | -179.3 | -72.4 | -26.1 | 0 | 0 | 0 | 112.3 | E380 S381 E387 Y388 | E380-N384 WeakPolarHBondContact O-CB 3.4Å; E380-N384 VanDerWaalsContact O-CG 3.29Å; E380-N384 PolarHBondContact O-N 3.19Å; E380-N384 PolarHBondContact O-ND2 3.43Å; S381-N384 PolarHBondContact O-N 3.04Å; N384-E387 PolarHBondContact O-N 2.91Å; N384-Y388 PolarHBondContact O-N 3.1Å |
| 385 | E | 98.1 | Very high | 95.8 | Very high | 70 Ų | 70 | 62.1 Ų | 62.1 | 33% | 0.327 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.5 | -40.5 | 176.1 | -170.2 | 178.9 | 160.1 | 0 | 0 | 111.8 | S381 V383 E387 Y388 W389 V412 | S381-E385 WeakPolarHBondContact O-CB 3.22Å; S381-E385 PolarHBondContact O-N 3.31Å; V383-E385 PolarHBondContact O-N 3.28Å; E385-E387 PolarHBondContact O-N 3.13Å; E385-Y388 WeakPolarHBondContact O-CB 3.46Å; E385-Y388 PolarHBondContact O-N 3.2Å; E385-W389 VanDerWaalsContact O-CD1 3.24Å; E385-W389 PolarHBondContact O-N 3.22Å; E385-V412 HydrophobicContact CB-CG2 4.28Å; E385-V412 HydrophobicContact CG-CG1 4.21Å; E385-V412 HydrophobicContact CG-CG2 4.24Å |
| 386 | T | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.5 | -45.9 | 175.6 | -56.4 | 0 | 0 | 0 | 0 | 110.7 | V382 V383 Y388 W389 K390 K415 L416 | V382-T386 WeakPolarHBondContact O-CB 3.32Å; V382-T386 PolarHBondContact O-N 3.08Å; V382-T386 PolarHBondContact O-OG1 3.18Å; V383-T386 PolarHBondContact O-N 3.4Å; T386-Y388 VanDerWaalsContact C-N 3.31Å; T386-Y388 PolarHBondContact O-N 2.92Å; T386-W389 PolarHBondContact O-N 2.94Å; T386-W389 VanDerWaalsContact O-N 3.15Å; T386-K390 WeakPolarHBondContact O-CG 3.48Å; T386-K390 PolarHBondContact O-N 3.08Å; T386-K415 HydrophobicContact CG2-CB 4.36Å; T386-K415 HydrophobicContact CG2-CD 4.08Å; T386-K415 HydrophobicContact CG2-CG 3.82Å; T386-K415 WeakPolarHBondContact OG1-CD 3.24Å; T386-L416 HydrophobicContact CG2-CD2 3.57Å; T386-L416 HydrophobicContact CG2-CG 3.85Å |
| 387 | E | 97.5 | Very high | 96.1 | Very high | 71 Ų | 71 | 61.7 Ų | 61.7 | 33% | 0.332 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62 | -36.8 | 176.8 | -73.8 | -54.7 | 130.5 | 0 | 0 | 113 | V383 N384 E385 K390 K391 | V383-E387 WeakPolarHBondContact O-CG 3.42Å; V383-E387 PolarHBondContact O-N 3.43Å; N384-E387 PolarHBondContact O-N 2.91Å; E385-E387 PolarHBondContact O-N 3.13Å; E387-K390 WeakPolarHBondContact OE1-CE 3.25Å; E387-K390 IonicContact OE1-NZ 3.58Å; E387-K390 PolarHBondContact OE1-NZ 3.15Å; E387-K391 WeakPolarHBondContact O-CG 3.45Å; E387-K391 PolarHBondContact O-N 2.9Å; E387-K391 VanDerWaalsContact O-N 3.16Å |
| 388 | Y | 97.8 | Very high | 96.2 | Very high | 126 Ų | 126 | 58.3 Ų | 58.3 | 49% | 0.494 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.3 | -50.3 | 171 | 167.4 | -94.8 | 0 | 0 | 0 | 111.2 | N384 E385 T386 K390 K391 K392 | N384-Y388 PolarHBondContact O-N 3.1Å; E385-Y388 WeakPolarHBondContact O-CB 3.46Å; E385-Y388 PolarHBondContact O-N 3.2Å; T386-Y388 VanDerWaalsContact C-N 3.31Å; T386-Y388 PolarHBondContact O-N 2.92Å; Y388-K390 PolarHBondContact O-N 3.37Å; Y388-K391 PolarHBondContact O-N 3.24Å; Y388-K392 HydrophobicContact CE1-CD 3.87Å; Y388-K392 WeakPolarHBondContact O-CB 3.49Å; Y388-K392 PolarHBondContact O-N 2.87Å; Y388-K392 PolarHBondContact OH-NZ 2.91Å |
| 389 | W | 98.2 | Very high | 96.3 | Very high | 8 Ų | 8 | 56.5 Ų | 56.5 | 3% | 0.03 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.5 | -40.7 | -179.5 | -80.8 | 107.8 | 0 | 0 | 0 | 113.1 | E385 T386 K391 K392 F393 D402 F403 T406 F408 L416 | E385-W389 VanDerWaalsContact O-CD1 3.24Å; E385-W389 PolarHBondContact O-N 3.22Å; T386-W389 PolarHBondContact O-N 2.94Å; T386-W389 VanDerWaalsContact O-N 3.15Å; W389-K391 VanDerWaalsContact C-N 3.33Å; W389-K391 PolarHBondContact O-N 2.63Å; W389-K392 HydrophobicContact CE3-CB 4.41Å; W389-K392 HydrophobicContact CE3-CD 4.1Å; W389-K392 HydrophobicContact CH2-CD 4.42Å; W389-K392 HydrophobicContact CZ3-CD 3.85Å; W389-K392 PolarHBondContact O-N 3.29Å; W389-K392 VanDerWaalsContact O-N 3.15Å; W389-F393 HydrophobicContact CB-CD2 4.44Å; W389-F393 HydrophobicContact CB-CE2 4.11Å; W389-F393 HydrophobicContact CE3-CE2 4.31Å; W389-F393 HydrophobicContact CE3-CZ 4.17Å; W389-F393 WeakPolarHBondContact O-CD2 3.46Å; W389-F393 WeakPolarHBondContact O-CG 3.43Å; W389-F393 PolarHBondContact O-N 2.92Å; W389-D402 HydrophobicContact CH2-CB 3.98Å; W389-D402 HydrophobicContact CZ3-CB 4.36Å; W389-F403 AromaticContact CD2-CD2 3.94Å; W389-F403 HydrophobicContact CD2-CD2 3.94Å; W389-F403 HydrophobicContact CD2-CE2 4.43Å; W389-F403 HydrophobicContact CE3-CB 4.38Å; W389-F403 AromaticContact CE3-CD2 3.69Å; W389-F403 HydrophobicContact CE3-CD2 3.69Å; W389-F403 HydrophobicContact CH2-CB 4.07Å; W389-F403 HydrophobicContact CH2-CD2 4.14Å; W389-F403 HydrophobicContact CZ2-CD2 4.37Å; W389-F403 HydrophobicContact CZ3-CB 3.73Å; W389-F403 AromaticContact CZ3-CD2 3.8Å; W389-F403 HydrophobicContact CZ3-CD2 3.8Å; W389-F403 HydrophobicContact CZ3-CG 4.28Å; W389-T406 HydrophobicContact CZ2-CG2 4.14Å; W389-F408 AromaticContact CD1-CE1 3.86Å; W389-F408 HydrophobicContact CD2-CE1 4.37Å; W389-F408 HydrophobicContact CD2-CZ 4.25Å; W389-F408 AromaticContact CE2-CE1 3.64Å; W389-F408 AromaticContact CE2-CZ 3.52Å; W389-F408 HydrophobicContact CG-CE1 4.49Å; W389-F408 HydrophobicContact CH2-CZ 4.16Å; W389-F408 HydrophobicContact CZ2-CE1 4.02Å; W389-F408 AromaticContact CZ2-CZ 3.48Å; W389-F408 HydrophobicContact CZ2-CZ 3.48Å; W389-F408 VanDerWaalsContact CZ2-CZ 3.48Å; W389-F408 AromaticContact NE1-CE1 3.3Å; W389-F408 VanDerWaalsContact NE1-CE1 3.3Å; W389-F408 AromaticContact NE1-CZ 3.72Å; W389-L416 HydrophobicContact CB-CD1 4.41Å; W389-L416 HydrophobicContact CB-CD2 4.3Å |
| 390 | K | 97.5 | Very high | 96.2 | Very high | 17 Ų | 17 | 54.1 Ų | 54.1 | 7% | 0.074 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.3 | -47.5 | 174.5 | -68 | 179.4 | -171.1 | 171.1 | 0 | 111.8 | F242 T386 E387 Y388 K392 N394 L416 D419 | F242-K390 HydrophobicContact CB-CB 3.99Å; F242-K390 HydrophobicContact CB-CD 4.33Å; F242-K390 HydrophobicContact CB-CG 4.06Å; F242-K390 HydrophobicContact CD1-CD 3.93Å; F242-K390 HydrophobicContact CD1-CG 3.69Å; F242-K390 HydrophobicContact CD2-CB 4.06Å; F242-K390 HydrophobicContact CD2-CG 3.86Å; F242-K390 HydrophobicContact CE1-CD 4.43Å; F242-K390 HydrophobicContact CE1-CG 4.01Å; F242-K390 HydrophobicContact CE2-CG 4.18Å; F242-K390 HydrophobicContact CG-CB 3.95Å; F242-K390 HydrophobicContact CG-CD 4.14Å; F242-K390 HydrophobicContact CG-CG 3.59Å; F242-K390 HydrophobicContact CZ-CG 4.24Å; T386-K390 WeakPolarHBondContact O-CG 3.48Å; T386-K390 PolarHBondContact O-N 3.08Å; E387-K390 WeakPolarHBondContact OE1-CE 3.25Å; E387-K390 IonicContact OE1-NZ 3.58Å; E387-K390 PolarHBondContact OE1-NZ 3.15Å; Y388-K390 PolarHBondContact O-N 3.37Å; K390-K392 VanDerWaalsContact C-N 3.34Å; K390-N394 PolarHBondContact O-N 2.8Å; K390-L416 HydrophobicContact CG-CD2 4.14Å; K390-D419 WeakPolarHBondContact CE-OD2 3.11Å; K390-D419 VanDerWaalsContact NZ-CG 3.31Å; K390-D419 IonicContact NZ-OD2 3.32Å; K390-D419 PolarHBondContact NZ-OD2 2.89Å |
| 391 | K | 96.4 | Very high | 96.1 | Very high | 135 Ų | 135 | 50.1 Ų | 50.1 | 59% | 0.587 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -63.6 | -41.3 | 176.4 | -71.2 | 173.8 | -176 | 172.8 | 0 | 111.3 | E387 Y388 W389 N394 N395 | E387-K391 WeakPolarHBondContact O-CG 3.45Å; E387-K391 PolarHBondContact O-N 2.9Å; E387-K391 VanDerWaalsContact O-N 3.16Å; Y388-K391 PolarHBondContact O-N 3.24Å; W389-K391 VanDerWaalsContact C-N 3.33Å; W389-K391 PolarHBondContact O-N 2.63Å; K391-N394 PolarHBondContact O-N 3.39Å; K391-N395 WeakPolarHBondContact O-CB 3.28Å; K391-N395 PolarHBondContact O-N 2.84Å; K391-N395 PolarHBondContact O-ND2 2.93Å |
| 392 | K | 97.3 | Very high | 96 | Very high | 25 Ų | 25 | 48.4 Ų | 48.4 | 11% | 0.109 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.6 | -49.4 | 178.5 | -168.1 | 165.7 | -179 | 164.6 | 0 | 111.5 | Y388 W389 K390 N394 N395 D396 A399 D402 | Y388-K392 HydrophobicContact CE1-CD 3.87Å; Y388-K392 WeakPolarHBondContact O-CB 3.49Å; Y388-K392 PolarHBondContact O-N 2.87Å; Y388-K392 PolarHBondContact OH-NZ 2.91Å; W389-K392 HydrophobicContact CE3-CB 4.41Å; W389-K392 HydrophobicContact CE3-CD 4.1Å; W389-K392 HydrophobicContact CH2-CD 4.42Å; W389-K392 HydrophobicContact CZ3-CD 3.85Å; W389-K392 PolarHBondContact O-N 3.29Å; W389-K392 VanDerWaalsContact O-N 3.15Å; K390-K392 VanDerWaalsContact C-N 3.34Å; K392-N394 VanDerWaalsContact C-N 3.29Å; K392-N394 PolarHBondContact O-N 3.47Å; K392-N395 PolarHBondContact O-N 3.39Å; K392-N395 VanDerWaalsContact O-N 3.16Å; K392-D396 VanDerWaalsContact CE-OD2 3.31Å; K392-D396 WeakPolarHBondContact CE-OD2 3.31Å; K392-D396 HydrophobicContact CG-CB 3.68Å; K392-D396 VanDerWaalsContact O-CB 3.25Å; K392-D396 WeakPolarHBondContact O-CB 3.35Å; K392-D396 PolarHBondContact O-N 3.44Å; K392-A399 HydrophobicContact CG-CB 3.85Å; K392-D402 WeakPolarHBondContact CE-OD2 3.34Å; K392-D402 IonicContact NZ-OD2 2.95Å; K392-D402 PolarHBondContact NZ-OD2 2.89Å |
| 393 | F | 96.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.6 | -41.8 | 178.2 | -73.6 | -56.6 | 0 | 0 | 0 | 113.6 | R201 Y241 F242 I275 W389 A399 W400 F403 | R201-F393 PolarHBondContact NH1-O 3.44Å; Y241-F393 HydrophobicContact CD2-CB 4.09Å; Y241-F393 WeakPolarHBondContact CD2-O 3.38Å; Y241-F393 HydrophobicContact CG-CB 4.29Å; F242-F393 HydrophobicContact CD2-CD2 4.22Å; F242-F393 AromaticContact CE2-CD2 3.69Å; F242-F393 HydrophobicContact CE2-CD2 3.69Å; F242-F393 HydrophobicContact CE2-CE2 4.24Å; I275-F393 HydrophobicContact CD1-CD2 4.22Å; I275-F393 HydrophobicContact CD1-CE2 3.64Å; I275-F393 HydrophobicContact CD1-CZ 3.86Å; W389-F393 HydrophobicContact CB-CD2 4.44Å; W389-F393 HydrophobicContact CB-CE2 4.11Å; W389-F393 HydrophobicContact CE3-CE2 4.31Å; W389-F393 HydrophobicContact CE3-CZ 4.17Å; W389-F393 WeakPolarHBondContact O-CD2 3.46Å; W389-F393 WeakPolarHBondContact O-CG 3.43Å; W389-F393 PolarHBondContact O-N 2.92Å; F393-A399 HydrophobicContact CD1-CB 3.82Å; F393-A399 HydrophobicContact CE1-CB 4.4Å; F393-W400 HydrophobicContact CD1-CD2 4.11Å; F393-W400 AromaticContact CD1-CE2 3.93Å; F393-W400 HydrophobicContact CD1-CE3 4.25Å; F393-W400 AromaticContact CD1-CH2 3.99Å; F393-W400 HydrophobicContact CD1-CH2 3.99Å; F393-W400 AromaticContact CD1-CZ2 3.88Å; F393-W400 HydrophobicContact CD1-CZ2 3.88Å; F393-W400 HydrophobicContact CD1-CZ3 4.19Å; F393-W400 AromaticContact CE1-CD2 3.83Å; F393-W400 HydrophobicContact CE1-CD2 3.83Å; F393-W400 AromaticContact CE1-CE3 3.53Å; F393-W400 HydrophobicContact CE1-CE3 3.53Å; F393-W400 AromaticContact CE1-CH2 3.66Å; F393-W400 HydrophobicContact CE1-CH2 3.66Å; F393-W400 AromaticContact CE1-CZ2 3.99Å; F393-W400 HydrophobicContact CE1-CZ2 3.99Å; F393-W400 AromaticContact CE1-CZ3 3.44Å; F393-W400 HydrophobicContact CE1-CZ3 3.44Å; F393-W400 VanDerWaalsContact CE1-CZ3 3.44Å; F393-W400 HydrophobicContact CZ-CE3 4.33Å; F393-W400 HydrophobicContact CZ-CH2 4.16Å; F393-W400 AromaticContact CZ-CZ3 3.89Å; F393-W400 HydrophobicContact CZ-CZ3 3.89Å; F393-F403 HydrophobicContact CE1-CB 4.16Å; F393-F403 HydrophobicContact CE1-CD2 4.3Å; F393-F403 HydrophobicContact CE1-CG 4.12Å; F393-F403 HydrophobicContact CE2-CD2 4.26Å; F393-F403 HydrophobicContact CE2-CE2 4.27Å; F393-F403 HydrophobicContact CZ-CB 4.16Å; F393-F403 HydrophobicContact CZ-CD1 4.1Å; F393-F403 AromaticContact CZ-CD2 3.48Å; F393-F403 HydrophobicContact CZ-CD2 3.48Å; F393-F403 VanDerWaalsContact CZ-CD2 3.48Å; F393-F403 HydrophobicContact CZ-CE1 4.33Å; F393-F403 AromaticContact CZ-CE2 3.78Å; F393-F403 HydrophobicContact CZ-CE2 3.78Å; F393-F403 AromaticContact CZ-CG 3.67Å; F393-F403 HydrophobicContact CZ-CG 3.67Å; F393-F403 HydrophobicContact CZ-CZ 4.19Å |
| 394 | N | 94.7 | Very high | 95.8 | Very high | 26 Ų | 26 | 48.6 Ų | 48.6 | 14% | 0.139 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70 | -34.5 | -178.9 | -72.4 | -6.4 | 0 | 0 | 0 | 113 | R201 R239 Y241 F242 K390 K391 K392 | R201-N394 PolarHBondContact NH1-O 3.15Å; R239-N394 WeakPolarHBondContact O-CA 3.34Å; Y241-N394 PolarHBondContact N-OD1 3.2Å; F242-N394 PolarHBondContact N-OD1 3.26Å; F242-N394 VanDerWaalsContact N-OD1 3.1Å; F242-N394 PolarHBondContact O-ND2 3.14Å; K390-N394 PolarHBondContact O-N 2.8Å; K391-N394 PolarHBondContact O-N 3.39Å; K392-N394 VanDerWaalsContact C-N 3.29Å; K392-N394 PolarHBondContact O-N 3.47Å |
| 395 | N | 92.8 | Very high | 95.5 | Very high | 117 Ų | 117 | 51.5 Ų | 51.5 | 63% | 0.626 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -112.2 | -32.7 | -165.7 | -62.2 | -62 | 0 | 0 | 0 | 114.2 | R201 K391 K392 | R201-N395 WeakPolarHBondContact CD-O 3.44Å; K391-N395 WeakPolarHBondContact O-CB 3.28Å; K391-N395 PolarHBondContact O-N 2.84Å; K391-N395 PolarHBondContact O-ND2 2.93Å; K392-N395 PolarHBondContact O-N 3.39Å; K392-N395 VanDerWaalsContact O-N 3.16Å |
| 396 | D | 93.9 | Very high | 95.3 | Very high | 47 Ų | 47 | 50.6 Ų | 50.6 | 25% | 0.251 | 24% | 0.243 | S | C | . | . | trans | -96.9 | 126.3 | -168.1 | -169.5 | -28.9 | 0 | 0 | 0 | 111.4 | R201 K392 E398 A399 | R201-D396 PolarHBondContact NH1-O 3.4Å; R201-D396 VanDerWaalsContact NH1-O 3.15Å; R201-D396 PolarHBondContact NH2-O 2.82Å; K392-D396 VanDerWaalsContact CE-OD2 3.31Å; K392-D396 WeakPolarHBondContact CE-OD2 3.31Å; K392-D396 HydrophobicContact CG-CB 3.68Å; K392-D396 VanDerWaalsContact O-CB 3.25Å; K392-D396 WeakPolarHBondContact O-CB 3.35Å; K392-D396 PolarHBondContact O-N 3.44Å; D396-E398 VanDerWaalsContact C-N 3.25Å; D396-E398 PolarHBondContact O-N 3.5Å; D396-E398 PolarHBondContact OD1-N 3.16Å; D396-A399 HydrophobicContact CB-CB 4.29Å; D396-A399 WeakPolarHBondContact O-CB 3.4Å; D396-A399 PolarHBondContact O-N 2.76Å | ||
| 397 | P | 92.5 | Very high | 95.1 | Very high | 21 Ų | 21 | 54.9 Ų | 54.9 | 14% | 0.136 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -35.1 | 174.2 | 24.1 | -32.7 | 0 | 0 | 0 | 113.2 | Y2 L4 N199 R201 A399 | Y2-P397 PolarHBondContact OH-O 3.06Å; L4-P397 HydrophobicContact CD1-CB 3.84Å; L4-P397 HydrophobicContact CD1-CG 3.9Å; L4-P397 HydrophobicContact CD2-CG 4.3Å; N199-P397 WeakPolarHBondContact O-CB 3.45Å; R201-P397 HydrophobicContact CG-CB 4.01Å; P397-A399 VanDerWaalsContact C-N 3.35Å |
| 398 | E | 93.7 | Very high | 94.9 | Very high | 84 Ų | 84 | 51.8 Ų | 51.8 | 39% | 0.393 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -1.8 | -173.3 | -60.7 | -176.6 | 103.7 | 0 | 0 | 113.9 | Y2 L4 D396 W400 D401 D402 | Y2-E398 WeakPolarHBondContact OH-CA 3.3Å; L4-E398 VanDerWaalsContact CD2-CD 3.44Å; L4-E398 HydrophobicContact CD2-CG 3.65Å; D396-E398 VanDerWaalsContact C-N 3.25Å; D396-E398 PolarHBondContact O-N 3.5Å; D396-E398 PolarHBondContact OD1-N 3.16Å; E398-W400 VanDerWaalsContact C-N 3.25Å; E398-W400 PolarHBondContact O-N 2.92Å; E398-W400 VanDerWaalsContact O-N 3.07Å; E398-D401 PolarHBondContact O-N 3.09Å; E398-D402 PolarHBondContact O-N 3.31Å |
| 399 | A | 95.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -48.3 | -43.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | K392 F393 D396 P397 F403 | K392-A399 HydrophobicContact CG-CB 3.85Å; F393-A399 HydrophobicContact CD1-CB 3.82Å; F393-A399 HydrophobicContact CE1-CB 4.4Å; D396-A399 HydrophobicContact CB-CB 4.29Å; D396-A399 WeakPolarHBondContact O-CB 3.4Å; D396-A399 PolarHBondContact O-N 2.76Å; P397-A399 VanDerWaalsContact C-N 3.35Å; A399-F403 WeakPolarHBondContact O-CB 3.38Å; A399-F403 PolarHBondContact O-N 2.77Å |
| 400 | W | 94.2 | Very high | 94.7 | Very high | 16 Ų | 16 | 47.9 Ų | 47.9 | 6% | 0.061 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -73.8 | -35.7 | -178.1 | -72.4 | 115.3 | 0 | 0 | 0 | 113.5 | Y241 K274 I275 M278 F393 E398 F403 D404 | Y241-W400 AromaticContact CD1-CZ2 3.81Å; Y241-W400 HydrophobicContact CD1-CZ2 3.81Å; Y241-W400 AromaticContact CE1-CZ2 3.52Å; Y241-W400 HydrophobicContact CE1-CZ2 3.52Å; Y241-W400 AromaticContact CE1-NE1 3.94Å; Y241-W400 HydrophobicContact CG-CZ2 4.5Å; Y241-W400 AromaticContact CZ-CZ2 3.99Å; Y241-W400 AromaticContact CZ-NE1 3.51Å; Y241-W400 PolarHBondContact OH-NE1 3.05Å; K274-W400 HydrophobicContact CB-CZ2 4.5Å; K274-W400 HydrophobicContact CD-CD2 4.2Å; K274-W400 HydrophobicContact CD-CH2 4.5Å; K274-W400 HydrophobicContact CD-CZ2 4.09Å; K274-W400 VanDerWaalsContact CE-CD2 3.47Å; K274-W400 HydrophobicContact CG-CH2 4.01Å; K274-W400 HydrophobicContact CG-CZ2 4.03Å; K274-W400 HydrophobicContact CG-CZ3 4.23Å; I275-W400 HydrophobicContact CB-CH2 3.98Å; I275-W400 HydrophobicContact CD1-CH2 3.88Å; I275-W400 HydrophobicContact CD1-CZ3 4.32Å; M278-W400 HydrophobicContact CB-CZ3 3.89Å; M278-W400 HydrophobicContact CG-CE3 4.02Å; M278-W400 HydrophobicContact CG-CZ3 3.72Å; F393-W400 HydrophobicContact CD1-CD2 4.11Å; F393-W400 AromaticContact CD1-CE2 3.93Å; F393-W400 HydrophobicContact CD1-CE3 4.25Å; F393-W400 AromaticContact CD1-CH2 3.99Å; F393-W400 HydrophobicContact CD1-CH2 3.99Å; F393-W400 AromaticContact CD1-CZ2 3.88Å; F393-W400 HydrophobicContact CD1-CZ2 3.88Å; F393-W400 HydrophobicContact CD1-CZ3 4.19Å; F393-W400 AromaticContact CE1-CD2 3.83Å; F393-W400 HydrophobicContact CE1-CD2 3.83Å; F393-W400 AromaticContact CE1-CE3 3.53Å; F393-W400 HydrophobicContact CE1-CE3 3.53Å; F393-W400 AromaticContact CE1-CH2 3.66Å; F393-W400 HydrophobicContact CE1-CH2 3.66Å; F393-W400 AromaticContact CE1-CZ2 3.99Å; F393-W400 HydrophobicContact CE1-CZ2 3.99Å; F393-W400 AromaticContact CE1-CZ3 3.44Å; F393-W400 HydrophobicContact CE1-CZ3 3.44Å; F393-W400 VanDerWaalsContact CE1-CZ3 3.44Å; F393-W400 HydrophobicContact CZ-CE3 4.33Å; F393-W400 HydrophobicContact CZ-CH2 4.16Å; F393-W400 AromaticContact CZ-CZ3 3.89Å; F393-W400 HydrophobicContact CZ-CZ3 3.89Å; E398-W400 VanDerWaalsContact C-N 3.25Å; E398-W400 PolarHBondContact O-N 2.92Å; E398-W400 VanDerWaalsContact O-N 3.07Å; W400-F403 HydrophobicContact CE3-CD1 4.43Å; W400-F403 HydrophobicContact CZ3-CD1 4.32Å; W400-F403 PolarHBondContact O-N 3.04Å; W400-D404 PolarHBondContact O-N 3.33Å; W400-D404 VanDerWaalsContact O-N 3.07Å |
| 401 | D | 93.1 | Very high | 94.7 | Very high | 64 Ų | 64 | 48.5 Ų | 48.5 | 34% | 0.342 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -72.5 | -39.7 | 179.6 | -74.4 | -4.5 | 0 | 0 | 0 | 110.3 | Y2 E398 D404 K405 | Y2-D401 PolarHBondContact OH-OD2 3.18Å; E398-D401 PolarHBondContact O-N 3.09Å; D401-D404 PolarHBondContact O-N 3.5Å; D401-K405 WeakPolarHBondContact O-CD 3.38Å; D401-K405 VanDerWaalsContact O-CG 3.29Å; D401-K405 WeakPolarHBondContact O-CG 3.48Å; D401-K405 PolarHBondContact O-N 2.95Å |
| 402 | D | 95.6 | Very high | 94.8 | Very high | 47 Ų | 47 | 42.1 Ų | 42.1 | 25% | 0.251 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -66.1 | -40.7 | 173.2 | -70.2 | -13.4 | 0 | 0 | 0 | 111.2 | W389 K392 E398 D404 K405 T406 | W389-D402 HydrophobicContact CH2-CB 3.98Å; W389-D402 HydrophobicContact CZ3-CB 4.36Å; K392-D402 WeakPolarHBondContact CE-OD2 3.34Å; K392-D402 IonicContact NZ-OD2 2.95Å; K392-D402 PolarHBondContact NZ-OD2 2.89Å; E398-D402 PolarHBondContact O-N 3.31Å; D402-D404 PolarHBondContact O-N 2.88Å; D402-K405 PolarHBondContact O-N 2.88Å; D402-T406 VanDerWaalsContact O-CB 3.32Å; D402-T406 WeakPolarHBondContact O-CB 3.4Å; D402-T406 PolarHBondContact O-N 3.4Å; D402-T406 PolarHBondContact O-OG1 2.82Å |
| 403 | F | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.4 | -38 | 177.5 | -167.4 | -105.2 | 0 | 0 | 0 | 112.3 | M278 L282 W389 F393 A399 W400 K405 F408 L413 L416 | M278-F403 HydrophobicContact CB-CD1 4.25Å; M278-F403 HydrophobicContact CB-CE1 3.96Å; L282-F403 HydrophobicContact CD1-CD1 3.65Å; L282-F403 HydrophobicContact CD1-CE1 3.36Å; L282-F403 HydrophobicContact CD1-CG 4.38Å; L282-F403 HydrophobicContact CD1-CZ 3.87Å; L282-F403 HydrophobicContact CG-CE1 4.48Å; W389-F403 AromaticContact CD2-CD2 3.94Å; W389-F403 HydrophobicContact CD2-CD2 3.94Å; W389-F403 HydrophobicContact CD2-CE2 4.43Å; W389-F403 HydrophobicContact CE3-CB 4.38Å; W389-F403 AromaticContact CE3-CD2 3.69Å; W389-F403 HydrophobicContact CE3-CD2 3.69Å; W389-F403 HydrophobicContact CH2-CB 4.07Å; W389-F403 HydrophobicContact CH2-CD2 4.14Å; W389-F403 HydrophobicContact CZ2-CD2 4.37Å; W389-F403 HydrophobicContact CZ3-CB 3.73Å; W389-F403 AromaticContact CZ3-CD2 3.8Å; W389-F403 HydrophobicContact CZ3-CD2 3.8Å; W389-F403 HydrophobicContact CZ3-CG 4.28Å; F393-F403 HydrophobicContact CE1-CB 4.16Å; F393-F403 HydrophobicContact CE1-CD2 4.3Å; F393-F403 HydrophobicContact CE1-CG 4.12Å; F393-F403 HydrophobicContact CE2-CD2 4.26Å; F393-F403 HydrophobicContact CE2-CE2 4.27Å; F393-F403 HydrophobicContact CZ-CB 4.16Å; F393-F403 HydrophobicContact CZ-CD1 4.1Å; F393-F403 AromaticContact CZ-CD2 3.48Å; F393-F403 HydrophobicContact CZ-CD2 3.48Å; F393-F403 VanDerWaalsContact CZ-CD2 3.48Å; F393-F403 HydrophobicContact CZ-CE1 4.33Å; F393-F403 AromaticContact CZ-CE2 3.78Å; F393-F403 HydrophobicContact CZ-CE2 3.78Å; F393-F403 AromaticContact CZ-CG 3.67Å; F393-F403 HydrophobicContact CZ-CG 3.67Å; F393-F403 HydrophobicContact CZ-CZ 4.19Å; A399-F403 WeakPolarHBondContact O-CB 3.38Å; A399-F403 PolarHBondContact O-N 2.77Å; W400-F403 HydrophobicContact CE3-CD1 4.43Å; W400-F403 HydrophobicContact CZ3-CD1 4.32Å; W400-F403 PolarHBondContact O-N 3.04Å; F403-K405 VanDerWaalsContact C-N 3.32Å; F403-K405 PolarHBondContact O-N 3.36Å; F403-F408 HydrophobicContact CD2-CE1 4.07Å; F403-F408 AromaticContact CD2-CE2 3.73Å; F403-F408 HydrophobicContact CD2-CE2 3.73Å; F403-F408 AromaticContact CD2-CZ 3.22Å; F403-F408 HydrophobicContact CD2-CZ 3.22Å; F403-F408 AromaticContact CE2-CE1 3.77Å; F403-F408 HydrophobicContact CE2-CE1 3.77Å; F403-F408 AromaticContact CE2-CE2 3.85Å; F403-F408 HydrophobicContact CE2-CE2 3.85Å; F403-F408 AromaticContact CE2-CZ 3.33Å; F403-F408 HydrophobicContact CE2-CZ 3.33Å; F403-F408 HydrophobicContact CG-CE2 4.24Å; F403-F408 HydrophobicContact CG-CZ 4.13Å; F403-F408 HydrophobicContact CZ-CE2 4.46Å; F403-F408 HydrophobicContact CZ-CZ 4.31Å; F403-F408 WeakPolarHBondContact O-CE2 3.38Å; F403-L413 HydrophobicContact CE1-CD2 4.28Å; F403-L413 HydrophobicContact CE2-CD2 3.99Å; F403-L413 HydrophobicContact CZ-CD2 3.44Å; F403-L413 VanDerWaalsContact CZ-CD2 3.44Å; F403-L416 HydrophobicContact CE2-CD1 3.74Å; F403-L416 HydrophobicContact CZ-CD1 3.99Å |
| 404 | D | 93.5 | Very high | 94.9 | Very high | 55 Ų | 55 | 40.9 Ų | 40.9 | 29% | 0.294 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -73.4 | -24.6 | 178.7 | -159.7 | 51.8 | 0 | 0 | 0 | 113.1 | M278 K281 R285 W400 D401 D402 | M278-D404 HydrophobicContact CE-CB 4.18Å; M278-D404 WeakPolarHBondContact CE-OD1 3.03Å; K281-D404 IonicContact NZ-OD1 2.72Å; K281-D404 PolarHBondContact NZ-OD1 3.07Å; K281-D404 IonicContact NZ-OD2 3.71Å; K281-D404 PolarHBondContact NZ-OD2 3.28Å; R285-D404 PolarHBondContact NH1-O 2.84Å; R285-D404 VanDerWaalsContact NH1-O 3.16Å; W400-D404 PolarHBondContact O-N 3.33Å; W400-D404 VanDerWaalsContact O-N 3.07Å; D401-D404 PolarHBondContact O-N 3.5Å; D402-D404 PolarHBondContact O-N 2.88Å |
| 405 | K | 93.5 | Very high | 95 | Very high | 152 Ų | 152 | 40.6 Ų | 40.6 | 66% | 0.661 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -92.5 | -23.3 | -179.2 | -67.3 | 170.2 | -169.5 | 165.1 | 0 | 113.8 | D401 D402 F403 | D401-K405 WeakPolarHBondContact O-CD 3.38Å; D401-K405 VanDerWaalsContact O-CG 3.29Å; D401-K405 WeakPolarHBondContact O-CG 3.48Å; D401-K405 PolarHBondContact O-N 2.95Å; D402-K405 PolarHBondContact O-N 2.88Å; F403-K405 VanDerWaalsContact C-N 3.32Å; F403-K405 PolarHBondContact O-N 3.36Å |
| 406 | T | 94.2 | Very high | 95.3 | Very high | 52 Ų | 52 | 35 Ų | 35 | 32% | 0.319 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -72.7 | 140 | -178 | -61.2 | 0 | 0 | 0 | 0 | 111.1 | W389 D402 F408 | W389-T406 HydrophobicContact CZ2-CG2 4.14Å; D402-T406 VanDerWaalsContact O-CB 3.32Å; D402-T406 WeakPolarHBondContact O-CB 3.4Å; D402-T406 PolarHBondContact O-N 3.4Å; D402-T406 PolarHBondContact O-OG1 2.82Å; T406-F408 VanDerWaalsContact CB-CE2 3.5Å; T406-F408 HydrophobicContact CG2-CD2 4.13Å; T406-F408 HydrophobicContact CG2-CE1 4.28Å; T406-F408 HydrophobicContact CG2-CE2 3.73Å; T406-F408 HydrophobicContact CG2-CZ 3.79Å; T406-F408 WeakPolarHBondContact O-CD2 3.16Å |
| 407 | S | 92.5 | Very high | 95.5 | Very high | 90 Ų | 90 | 32.8 Ų | 32.8 | 63% | 0.629 | 17% | 0.173 | S | C | * | . | trans | -87.9 | 122.2 | 169.7 | -62.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 408 | F | 93.6 | Very high | 95.6 | Very high | 5 Ų | 5 | 32.9 Ų | 32.9 | 2% | 0.022 | 17% | 0.172 | C | C | . | . | trans | -106.1 | 148.2 | -171.8 | -78.4 | -86.1 | 0 | 0 | 0 | 113 | L282 W389 F403 T406 V412 L413 | L282-F408 HydrophobicContact CD1-CD2 3.97Å; L282-F408 HydrophobicContact CD1-CE2 4Å; W389-F408 AromaticContact CD1-CE1 3.86Å; W389-F408 HydrophobicContact CD2-CE1 4.37Å; W389-F408 HydrophobicContact CD2-CZ 4.25Å; W389-F408 AromaticContact CE2-CE1 3.64Å; W389-F408 AromaticContact CE2-CZ 3.52Å; W389-F408 HydrophobicContact CG-CE1 4.49Å; W389-F408 HydrophobicContact CH2-CZ 4.16Å; W389-F408 HydrophobicContact CZ2-CE1 4.02Å; W389-F408 AromaticContact CZ2-CZ 3.48Å; W389-F408 HydrophobicContact CZ2-CZ 3.48Å; W389-F408 VanDerWaalsContact CZ2-CZ 3.48Å; W389-F408 AromaticContact NE1-CE1 3.3Å; W389-F408 VanDerWaalsContact NE1-CE1 3.3Å; W389-F408 AromaticContact NE1-CZ 3.72Å; F403-F408 HydrophobicContact CD2-CE1 4.07Å; F403-F408 AromaticContact CD2-CE2 3.73Å; F403-F408 HydrophobicContact CD2-CE2 3.73Å; F403-F408 AromaticContact CD2-CZ 3.22Å; F403-F408 HydrophobicContact CD2-CZ 3.22Å; F403-F408 AromaticContact CE2-CE1 3.77Å; F403-F408 HydrophobicContact CE2-CE1 3.77Å; F403-F408 AromaticContact CE2-CE2 3.85Å; F403-F408 HydrophobicContact CE2-CE2 3.85Å; F403-F408 AromaticContact CE2-CZ 3.33Å; F403-F408 HydrophobicContact CE2-CZ 3.33Å; F403-F408 HydrophobicContact CG-CE2 4.24Å; F403-F408 HydrophobicContact CG-CZ 4.13Å; F403-F408 HydrophobicContact CZ-CE2 4.46Å; F403-F408 HydrophobicContact CZ-CZ 4.31Å; F403-F408 WeakPolarHBondContact O-CE2 3.38Å; T406-F408 VanDerWaalsContact CB-CE2 3.5Å; T406-F408 HydrophobicContact CG2-CD2 4.13Å; T406-F408 HydrophobicContact CG2-CE1 4.28Å; T406-F408 HydrophobicContact CG2-CE2 3.73Å; T406-F408 HydrophobicContact CG2-CZ 3.79Å; T406-F408 WeakPolarHBondContact O-CD2 3.16Å; F408-V412 HydrophobicContact CD1-CB 4.22Å; F408-V412 HydrophobicContact CD1-CG1 3.95Å; F408-V412 HydrophobicContact CE1-CG1 4.16Å; F408-L413 HydrophobicContact CB-CD1 3.97Å; F408-L413 HydrophobicContact CB-CD2 4.17Å; F408-L413 HydrophobicContact CB-CG 3.89Å; F408-L413 HydrophobicContact CD1-CD2 4.04Å; F408-L413 HydrophobicContact CD1-CG 4.43Å; F408-L413 HydrophobicContact CD2-CD2 4.06Å; F408-L413 HydrophobicContact CE1-CD2 4.47Å; F408-L413 HydrophobicContact CG-CD1 4.46Å; F408-L413 HydrophobicContact CG-CD2 3.81Å; F408-L413 HydrophobicContact CG-CG 4.09Å | ||
| 409 | N | 94.3 | Very high | 95.7 | Very high | 51 Ų | 51 | 29.5 Ų | 29.5 | 27% | 0.273 | 16% | 0.157 | S | C | . | . | trans | -67.8 | 126.1 | 153 | -179.2 | -24.6 | 0 | 0 | 0 | 108.2 | S293 L411 V412 | S293-N409 PolarHBondContact OG-N 3.41Å; N409-L411 PolarHBondContact O-N 2.85Å; N409-L411 WeakPolarHBondContact OD1-CB 3.22Å; N409-L411 PolarHBondContact OD1-N 3.48Å; N409-V412 HydrophobicContact CB-CG2 4.17Å; N409-V412 WeakPolarHBondContact O-CB 3.44Å; N409-V412 PolarHBondContact O-N 2.62Å | ||
| 410 | P | 97 | Very high | 95.8 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.013 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -49.9 | -33.6 | 177 | -31.1 | 37.9 | 0 | 0 | 0 | 114.5 | L283 I286 V369 A372 V412 L413 V414 | L283-P410 HydrophobicContact CD2-CB 4.04Å; I286-P410 HydrophobicContact CD1-CG 3.91Å; I286-P410 HydrophobicContact CG2-CG 4.13Å; V369-P410 HydrophobicContact CG2-CB 4.16Å; V369-P410 HydrophobicContact CG2-CG 4.1Å; A372-P410 HydrophobicContact CB-CB 3.56Å; P410-V412 VanDerWaalsContact C-N 3.27Å; P410-V412 PolarHBondContact O-N 3.37Å; P410-L413 PolarHBondContact O-N 3.22Å; P410-V414 WeakPolarHBondContact O-CG2 3.37Å; P410-V414 PolarHBondContact O-N 3.48Å |
| 411 | L | 97.7 | Very high | 95.8 | Very high | 30 Ų | 30 | 29 Ų | 29 | 16% | 0.157 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.7 | -34.8 | 177.5 | -71.6 | 171.1 | 0 | 0 | 0 | 113 | A372 T375 Y378 V382 N409 K415 | A372-L411 HydrophobicContact CB-CD2 3.8Å; A372-L411 HydrophobicContact CB-CG 4.06Å; T375-L411 HydrophobicContact CG2-CD2 3.68Å; Y378-L411 HydrophobicContact CD1-CD2 4.44Å; V382-L411 HydrophobicContact CG1-CB 3.94Å; V382-L411 HydrophobicContact CG2-CB 3.98Å; V382-L411 HydrophobicContact CG2-CD1 4.25Å; N409-L411 PolarHBondContact O-N 2.85Å; N409-L411 WeakPolarHBondContact OD1-CB 3.22Å; N409-L411 PolarHBondContact OD1-N 3.48Å; L411-K415 WeakPolarHBondContact O-CB 3.47Å; L411-K415 PolarHBondContact O-N 3.02Å |
| 412 | V | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.2 | -43.2 | 177.9 | 177.7 | 0 | 0 | 0 | 0 | 110.2 | V382 E385 F408 N409 P410 K415 L416 | V382-V412 HydrophobicContact CB-CG2 4.49Å; V382-V412 HydrophobicContact CG1-CG2 3.95Å; V382-V412 HydrophobicContact CG2-CG2 4.5Å; E385-V412 HydrophobicContact CB-CG2 4.28Å; E385-V412 HydrophobicContact CG-CG1 4.21Å; E385-V412 HydrophobicContact CG-CG2 4.24Å; F408-V412 HydrophobicContact CD1-CB 4.22Å; F408-V412 HydrophobicContact CD1-CG1 3.95Å; F408-V412 HydrophobicContact CE1-CG1 4.16Å; N409-V412 HydrophobicContact CB-CG2 4.17Å; N409-V412 WeakPolarHBondContact O-CB 3.44Å; N409-V412 PolarHBondContact O-N 2.62Å; P410-V412 VanDerWaalsContact C-N 3.27Å; P410-V412 PolarHBondContact O-N 3.37Å; V412-K415 PolarHBondContact O-N 2.78Å; V412-L416 HydrophobicContact CG1-CD1 4.31Å; V412-L416 VanDerWaalsContact O-CG 3.31Å; V412-L416 WeakPolarHBondContact O-CG 3.39Å; V412-L416 PolarHBondContact O-N 2.99Å |
| 413 | L | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.9 | -42.9 | 177.9 | -60.6 | 176.3 | 0 | 0 | 0 | 111.6 | C279 L282 L283 I286 F403 F408 P410 L416 I417 | C279-L413 HydrophobicContact CB-CB 4.46Å; L282-L413 HydrophobicContact CB-CD1 3.65Å; L282-L413 HydrophobicContact CB-CD2 4.35Å; L282-L413 HydrophobicContact CD1-CD2 3.96Å; L283-L413 HydrophobicContact CD2-CB 3.96Å; L283-L413 HydrophobicContact CD2-CD1 3.86Å; L283-L413 HydrophobicContact CG-CB 4.09Å; L283-L413 HydrophobicContact CG-CD1 3.96Å; I286-L413 HydrophobicContact CD1-CD1 3.96Å; F403-L413 HydrophobicContact CE1-CD2 4.28Å; F403-L413 HydrophobicContact CE2-CD2 3.99Å; F403-L413 HydrophobicContact CZ-CD2 3.44Å; F403-L413 VanDerWaalsContact CZ-CD2 3.44Å; F408-L413 HydrophobicContact CB-CD1 3.97Å; F408-L413 HydrophobicContact CB-CD2 4.17Å; F408-L413 HydrophobicContact CB-CG 3.89Å; F408-L413 HydrophobicContact CD1-CD2 4.04Å; F408-L413 HydrophobicContact CD1-CG 4.43Å; F408-L413 HydrophobicContact CD2-CD2 4.06Å; F408-L413 HydrophobicContact CE1-CD2 4.47Å; F408-L413 HydrophobicContact CG-CD1 4.46Å; F408-L413 HydrophobicContact CG-CD2 3.81Å; F408-L413 HydrophobicContact CG-CG 4.09Å; P410-L413 PolarHBondContact O-N 3.22Å; L413-L416 PolarHBondContact O-N 2.89Å; L413-I417 WeakPolarHBondContact O-CG1 3.3Å; L413-I417 PolarHBondContact O-N 3.45Å; L413-I417 VanDerWaalsContact O-N 3.13Å |
| 414 | V | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.4 | -43.7 | 176.2 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | L283 A372 L373 Y378 P410 L416 I417 D418 W490 | L283-V414 HydrophobicContact CD1-CG2 4.26Å; L283-V414 HydrophobicContact CD2-CG2 4.32Å; A372-V414 HydrophobicContact CB-CG2 4.04Å; A372-V414 WeakPolarHBondContact O-CG1 3.45Å; L373-V414 HydrophobicContact CD2-CG2 3.86Å; L373-V414 HydrophobicContact CG-CG2 4.21Å; Y378-V414 HydrophobicContact CE1-CG1 4.48Å; P410-V414 WeakPolarHBondContact O-CG2 3.37Å; P410-V414 PolarHBondContact O-N 3.48Å; V414-L416 VanDerWaalsContact C-N 3.34Å; V414-L416 PolarHBondContact O-N 2.92Å; V414-I417 WeakPolarHBondContact O-CB 3.16Å; V414-I417 PolarHBondContact O-N 2.94Å; V414-D418 WeakPolarHBondContact O-CB 3.27Å; V414-D418 PolarHBondContact O-N 3.01Å; V414-W490 HydrophobicContact CG1-CH2 3.84Å; V414-W490 HydrophobicContact CG1-CZ2 3.67Å |
| 415 | K | 97.5 | Very high | 95.6 | Very high | 20 Ų | 20 | 33.1 Ų | 33.1 | 9% | 0.087 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.4 | -39.7 | 176.2 | -176.2 | 168 | 170 | 48.6 | 0 | 112.4 | Y378 V382 V383 T386 L411 V412 I417 D418 D419 | Y378-K415 HydrophobicContact CD1-CB 3.89Å; Y378-K415 HydrophobicContact CD1-CD 4.18Å; Y378-K415 HydrophobicContact CD1-CG 4.33Å; Y378-K415 HydrophobicContact CD2-CD 4Å; Y378-K415 HydrophobicContact CD2-CG 4.25Å; Y378-K415 HydrophobicContact CE1-CB 3.67Å; Y378-K415 HydrophobicContact CE1-CG 4.32Å; Y378-K415 HydrophobicContact CE2-CB 4.41Å; Y378-K415 HydrophobicContact CE2-CD 4.48Å; Y378-K415 HydrophobicContact CE2-CG 4.23Å; Y378-K415 HydrophobicContact CG-CB 4.34Å; Y378-K415 HydrophobicContact CG-CD 3.81Å; Y378-K415 HydrophobicContact CG-CG 4.28Å; V382-K415 HydrophobicContact CG1-CB 4.32Å; V382-K415 HydrophobicContact CG1-CD 4.16Å; V383-K415 HydrophobicContact CG2-CD 4.35Å; T386-K415 HydrophobicContact CG2-CB 4.36Å; T386-K415 HydrophobicContact CG2-CD 4.08Å; T386-K415 HydrophobicContact CG2-CG 3.82Å; T386-K415 WeakPolarHBondContact OG1-CD 3.24Å; L411-K415 WeakPolarHBondContact O-CB 3.47Å; L411-K415 PolarHBondContact O-N 3.02Å; V412-K415 PolarHBondContact O-N 2.78Å; K415-I417 VanDerWaalsContact C-N 3.31Å; K415-I417 PolarHBondContact O-N 2.87Å; K415-D418 WeakPolarHBondContact O-CB 3.44Å; K415-D418 PolarHBondContact O-N 2.87Å; K415-D419 WeakPolarHBondContact CE-OD2 3.3Å; K415-D419 VanDerWaalsContact NZ-CG 3.28Å; K415-D419 IonicContact NZ-OD1 3.13Å; K415-D419 PolarHBondContact NZ-OD1 2.77Å; K415-D419 IonicContact NZ-OD2 2.84Å; K415-D419 PolarHBondContact NZ-OD2 2.91Å; K415-D419 WeakPolarHBondContact O-CB 3.27Å; K415-D419 VanDerWaalsContact O-CG 3.23Å; K415-D419 PolarHBondContact O-N 3.14Å |
| 416 | L | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.5 | -39 | 174.6 | -76.3 | 167.9 | 0 | 0 | 0 | 112.2 | F242 T386 W389 K390 F403 V412 L413 V414 W420 | F242-L416 HydrophobicContact CE1-CD2 4.29Å; F242-L416 HydrophobicContact CE2-CD2 4.22Å; F242-L416 HydrophobicContact CZ-CD2 3.68Å; T386-L416 HydrophobicContact CG2-CD2 3.57Å; T386-L416 HydrophobicContact CG2-CG 3.85Å; W389-L416 HydrophobicContact CB-CD1 4.41Å; W389-L416 HydrophobicContact CB-CD2 4.3Å; K390-L416 HydrophobicContact CG-CD2 4.14Å; F403-L416 HydrophobicContact CE2-CD1 3.74Å; F403-L416 HydrophobicContact CZ-CD1 3.99Å; V412-L416 HydrophobicContact CG1-CD1 4.31Å; V412-L416 VanDerWaalsContact O-CG 3.31Å; V412-L416 WeakPolarHBondContact O-CG 3.39Å; V412-L416 PolarHBondContact O-N 2.99Å; L413-L416 PolarHBondContact O-N 2.89Å; V414-L416 VanDerWaalsContact C-N 3.34Å; V414-L416 PolarHBondContact O-N 2.92Å; L416-W420 VanDerWaalsContact O-CB 3.25Å; L416-W420 WeakPolarHBondContact O-CB 3.45Å; L416-W420 PolarHBondContact O-N 3.18Å; L416-W420 VanDerWaalsContact O-N 3.09Å |
| 417 | I | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.4 | -49.3 | 173.5 | -69.7 | 167 | 0 | 0 | 0 | 110.3 | I276 C279 L283 L413 V414 K415 W420 L421 F465 W490 | I276-I417 HydrophobicContact CD1-CB 4.25Å; I276-I417 HydrophobicContact CD1-CG1 4.1Å; I276-I417 HydrophobicContact CD1-CG2 4.15Å; C279-I417 HydrophobicContact CB-CD1 3.62Å; C279-I417 HydrophobicContact CB-CG1 3.57Å; L283-I417 HydrophobicContact CD1-CD1 4.06Å; L413-I417 WeakPolarHBondContact O-CG1 3.3Å; L413-I417 PolarHBondContact O-N 3.45Å; L413-I417 VanDerWaalsContact O-N 3.13Å; V414-I417 WeakPolarHBondContact O-CB 3.16Å; V414-I417 PolarHBondContact O-N 2.94Å; K415-I417 VanDerWaalsContact C-N 3.31Å; K415-I417 PolarHBondContact O-N 2.87Å; I417-W420 PolarHBondContact O-N 2.76Å; I417-L421 HydrophobicContact CG2-CD1 3.68Å; I417-L421 WeakPolarHBondContact O-CG 3.39Å; I417-L421 PolarHBondContact O-N 2.9Å; I417-F465 HydrophobicContact CG2-CE1 4.15Å; I417-F465 HydrophobicContact CG2-CZ 3.99Å; I417-W490 HydrophobicContact CG2-CD2 4.18Å; I417-W490 HydrophobicContact CG2-CE3 3.86Å; I417-W490 HydrophobicContact CG2-CH2 4.08Å; I417-W490 HydrophobicContact CG2-CZ2 4.36Å; I417-W490 HydrophobicContact CG2-CZ3 3.82Å |
| 418 | D | 95.7 | Very high | 95.7 | Very high | 22 Ų | 22 | 23.3 Ų | 23.3 | 12% | 0.118 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58 | -54.8 | -178.8 | -159.8 | 6.1 | 0 | 0 | 0 | 110.9 | Y378 V414 K415 W420 L421 T422 R486 W490 | Y378-D418 WeakPolarHBondContact CE2-OD2 3.15Å; Y378-D418 PolarHBondContact OH-OD2 3.3Å; V414-D418 WeakPolarHBondContact O-CB 3.27Å; V414-D418 PolarHBondContact O-N 3.01Å; K415-D418 WeakPolarHBondContact O-CB 3.44Å; K415-D418 PolarHBondContact O-N 2.87Å; D418-W420 VanDerWaalsContact C-N 3.29Å; D418-W420 PolarHBondContact O-N 2.8Å; D418-L421 PolarHBondContact O-N 2.75Å; D418-T422 WeakPolarHBondContact O-CB 3.39Å; D418-T422 VanDerWaalsContact O-CG2 3.24Å; D418-T422 WeakPolarHBondContact O-CG2 3.45Å; D418-T422 PolarHBondContact O-N 2.71Å; D418-T422 PolarHBondContact O-OG1 3Å; D418-R486 IonicContact OD2-CZ 3.08Å; D418-R486 IonicContact OD2-NH1 3.25Å; D418-R486 IonicContact OD2-NH2 3.27Å; D418-R486 PolarHBondContact OD2-NH2 3.34Å; D418-W490 HydrophobicContact CB-CZ2 4.49Å; D418-W490 VanDerWaalsContact CG-NE1 3.29Å; D418-W490 VanDerWaalsContact OD1-CD1 3.24Å; D418-W490 PolarHBondContact OD1-NE1 3.08Å |
| 419 | D | 95 | Very high | 95.7 | Very high | 14 Ų | 14 | 23.1 Ų | 23.1 | 8% | 0.075 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.4 | -35.8 | -179.8 | -67.2 | -13 | 0 | 0 | 0 | 111.6 | K390 K415 T422 H423 | K390-D419 WeakPolarHBondContact CE-OD2 3.11Å; K390-D419 VanDerWaalsContact NZ-CG 3.31Å; K390-D419 IonicContact NZ-OD2 3.32Å; K390-D419 PolarHBondContact NZ-OD2 2.89Å; K415-D419 WeakPolarHBondContact CE-OD2 3.3Å; K415-D419 VanDerWaalsContact NZ-CG 3.28Å; K415-D419 IonicContact NZ-OD1 3.13Å; K415-D419 PolarHBondContact NZ-OD1 2.77Å; K415-D419 IonicContact NZ-OD2 2.84Å; K415-D419 PolarHBondContact NZ-OD2 2.91Å; K415-D419 WeakPolarHBondContact O-CB 3.27Å; K415-D419 VanDerWaalsContact O-CG 3.23Å; K415-D419 PolarHBondContact O-N 3.14Å; D419-T422 PolarHBondContact O-OG1 2.93Å; D419-H423 VanDerWaalsContact O-CB 3.26Å; D419-H423 WeakPolarHBondContact O-CB 3.46Å; D419-H423 PolarHBondContact O-CD2 2.97Å; D419-H423 PolarHBondContact O-N 3.04Å |
| 420 | W | 96.9 | Very high | 95.5 | Very high | 3 Ų | 3 | 25 Ų | 25 | 1% | 0.011 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -70.8 | -46.7 | 179 | -168.6 | 85.2 | 0 | 0 | 0 | 112.5 | Y241 F242 F248 L250 F253 P273 I275 I276 L416 I417 D418 L424 | Y241-W420 PolarHBondContact O-NE1 2.56Å; F242-W420 HydrophobicContact CE1-CB 3.77Å; F242-W420 AromaticContact CE1-CD1 3.93Å; F242-W420 HydrophobicContact CE1-CG 4.29Å; F242-W420 HydrophobicContact CZ-CB 4.28Å; F248-W420 HydrophobicContact CE2-CZ2 4.37Å; L250-W420 HydrophobicContact CD1-CH2 3.82Å; L250-W420 HydrophobicContact CD1-CZ3 4.38Å; F253-W420 HydrophobicContact CB-CZ2 4.41Å; F253-W420 HydrophobicContact CD1-CH2 4.2Å; F253-W420 AromaticContact CD1-CZ2 3.57Å; F253-W420 HydrophobicContact CD1-CZ2 3.57Å; F253-W420 AromaticContact CD2-CZ2 3.99Å; F253-W420 HydrophobicContact CD2-CZ2 3.99Å; F253-W420 AromaticContact CE1-CZ2 3.73Å; F253-W420 HydrophobicContact CE1-CZ2 3.73Å; F253-W420 HydrophobicContact CE2-CZ2 4.13Å; F253-W420 AromaticContact CE2-NE1 3.95Å; F253-W420 AromaticContact CG-CZ2 3.71Å; F253-W420 HydrophobicContact CG-CZ2 3.71Å; F253-W420 HydrophobicContact CZ-CZ2 4.01Å; P273-W420 HydrophobicContact CB-CH2 3.51Å; P273-W420 HydrophobicContact CB-CZ2 3.75Å; P273-W420 HydrophobicContact CB-CZ3 4.01Å; P273-W420 HydrophobicContact CG-CH2 3.24Å; P273-W420 HydrophobicContact CG-CZ2 3.97Å; P273-W420 HydrophobicContact CG-CZ3 3.7Å; I275-W420 HydrophobicContact CG2-CD2 3.8Å; I275-W420 HydrophobicContact CG2-CG 3.75Å; I275-W420 HydrophobicContact CG2-CZ2 4.41Å; I276-W420 HydrophobicContact CD1-CB 4.17Å; I276-W420 HydrophobicContact CD1-CD2 4.1Å; I276-W420 HydrophobicContact CD1-CE3 3.65Å; I276-W420 HydrophobicContact CD1-CG 4.33Å; I276-W420 HydrophobicContact CD1-CZ3 4.43Å; I276-W420 HydrophobicContact CG1-CD2 4.22Å; I276-W420 HydrophobicContact CG1-CE3 3.64Å; I276-W420 HydrophobicContact CG1-CZ3 3.94Å; L416-W420 VanDerWaalsContact O-CB 3.25Å; L416-W420 WeakPolarHBondContact O-CB 3.45Å; L416-W420 PolarHBondContact O-N 3.18Å; L416-W420 VanDerWaalsContact O-N 3.09Å; I417-W420 PolarHBondContact O-N 2.76Å; D418-W420 VanDerWaalsContact C-N 3.29Å; D418-W420 PolarHBondContact O-N 2.8Å; W420-L424 HydrophobicContact CE3-CD1 4.45Å; W420-L424 HydrophobicContact CH2-CD1 4.28Å; W420-L424 HydrophobicContact CH2-CD2 3.89Å; W420-L424 HydrophobicContact CZ2-CD2 4.1Å; W420-L424 HydrophobicContact CZ3-CD1 3.89Å; W420-L424 HydrophobicContact CZ3-CD2 4.17Å; W420-L424 HydrophobicContact CZ3-CG 4.34Å |
| 421 | L | 96 | Very high | 95.1 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -70.1 | -40.1 | -177.5 | -71.6 | 169.9 | 0 | 0 | 0 | 112 | I276 I417 D418 H423 L424 V428 F465 W490 Q493 | I276-L421 HydrophobicContact CD1-CG 4.2Å; I417-L421 HydrophobicContact CG2-CD1 3.68Å; I417-L421 WeakPolarHBondContact O-CG 3.39Å; I417-L421 PolarHBondContact O-N 2.9Å; D418-L421 PolarHBondContact O-N 2.75Å; L421-H423 VanDerWaalsContact C-N 3.28Å; L421-H423 PolarHBondContact O-N 3.38Å; L421-L424 HydrophobicContact CD2-CD1 4.3Å; L421-L424 PolarHBondContact O-N 2.78Å; L421-V428 HydrophobicContact CD2-CG2 3.81Å; L421-F465 HydrophobicContact CD1-CE2 4.2Å; L421-F465 HydrophobicContact CD1-CZ 3.9Å; L421-W490 HydrophobicContact CB-CB 4.44Å; L421-W490 HydrophobicContact CD1-CB 3.68Å; L421-W490 HydrophobicContact CD1-CD2 4.46Å; L421-W490 HydrophobicContact CD1-CG 4.17Å; L421-Q493 PolarHBondContact O-NE2 2.98Å |
| 422 | T | 91.9 | Very high | 94.6 | Very high | 54 Ų | 54 | 32.1 Ų | 32.1 | 33% | 0.331 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -71.4 | -21.2 | 180 | 56.5 | 0 | 0 | 0 | 0 | 113.3 | D418 D419 Q493 | D418-T422 WeakPolarHBondContact O-CB 3.39Å; D418-T422 VanDerWaalsContact O-CG2 3.24Å; D418-T422 WeakPolarHBondContact O-CG2 3.45Å; D418-T422 PolarHBondContact O-N 2.71Å; D418-T422 PolarHBondContact O-OG1 3Å; D419-T422 PolarHBondContact O-OG1 2.93Å; T422-Q493 PolarHBondContact O-NE2 2.75Å |
| 423 | H | 91.8 | Very high | 94.2 | Very high | 39 Ų | 39 | 32.9 Ų | 32.9 | 18% | 0.181 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -6.5 | 179.4 | -73.4 | -152.3 | 0 | 0 | 0 | 114.1 | H245 G246 D419 L421 | H245-H423 AromaticContact CE1-CD2 3.16Å; H245-H423 PolarHBondContact CE1-CD2 3.22Å; H245-H423 AromaticContact CE1-CE1 3.43Å; H245-H423 PolarHBondContact CE1-CE1 3.44Å; H245-H423 VanDerWaalsContact CE1-CE1 3.43Å; H245-H423 AromaticContact CE1-CG 3.79Å; H245-H423 AromaticContact CE1-ND1 3.93Å; H245-H423 AromaticContact CE1-NE2 2.92Å; H245-H423 PolarHBondContact CE1-NE2 3.12Å; H245-H423 AromaticContact ND1-CD2 3.27Å; H245-H423 PolarHBondContact ND1-CD2 3.19Å; H245-H423 VanDerWaalsContact ND1-CD2 3.27Å; H245-H423 AromaticContact ND1-CE1 3.86Å; H245-H423 AromaticContact ND1-CG 3.54Å; H245-H423 AromaticContact ND1-ND1 3.9Å; H245-H423 AromaticContact ND1-NE2 3.52Å; H245-H423 AromaticContact NE2-CE1 3.64Å; H245-H423 AromaticContact NE2-NE2 3.52Å; G246-H423 PolarHBondContact N-O 2.94Å; D419-H423 VanDerWaalsContact O-CB 3.26Å; D419-H423 WeakPolarHBondContact O-CB 3.46Å; D419-H423 PolarHBondContact O-CD2 2.97Å; D419-H423 PolarHBondContact O-N 3.04Å; L421-H423 VanDerWaalsContact C-N 3.28Å; L421-H423 PolarHBondContact O-N 3.38Å |
| 424 | L | 95.2 | Very high | 93.8 | Very high | 6 Ų | 6 | 32.9 Ų | 32.9 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -60.8 | 147.6 | 175.4 | -64.6 | 174 | 0 | 0 | 0 | 111.2 | F248 L250 W420 L421 S426 V428 Q493 | F248-L424 HydrophobicContact CD2-CD2 3.92Å; F248-L424 HydrophobicContact CE2-CD2 3.81Å; L250-L424 HydrophobicContact CB-CD1 4.39Å; W420-L424 HydrophobicContact CE3-CD1 4.45Å; W420-L424 HydrophobicContact CH2-CD1 4.28Å; W420-L424 HydrophobicContact CH2-CD2 3.89Å; W420-L424 HydrophobicContact CZ2-CD2 4.1Å; W420-L424 HydrophobicContact CZ3-CD1 3.89Å; W420-L424 HydrophobicContact CZ3-CD2 4.17Å; W420-L424 HydrophobicContact CZ3-CG 4.34Å; L421-L424 HydrophobicContact CD2-CD1 4.3Å; L421-L424 PolarHBondContact O-N 2.78Å; L424-S426 WeakPolarHBondContact CB-O 3.43Å; L424-S426 PolarHBondContact O-N 3.2Å; L424-V428 HydrophobicContact CD1-CG2 3.65Å; L424-Q493 PolarHBondContact O-NE2 2.84Å |
| 425 | K | 94.3 | Very high | 93.3 | Very high | 155 Ų | 155 | 35.6 Ų | 35.6 | 67% | 0.674 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -58.5 | -30.1 | 178 | -176.5 | 176.9 | 177.7 | -177.3 | 0 | 113.7 | F248 | F248-K425 WeakPolarHBondContact O-CB 3.45Å; F248-K425 PolarHBondContact O-N 2.84Å |
| 426 | S | 92.8 | Very high | 92.8 | Very high | 45 Ų | 45 | 36.8 Ų | 36.8 | 32% | 0.315 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -144.3 | 154.3 | 177.6 | 60 | 0 | 0 | 0 | 0 | 108.5 | L424 | L424-S426 WeakPolarHBondContact CB-O 3.43Å; L424-S426 PolarHBondContact O-N 3.2Å |
| 427 | P | 94.3 | Very high | 92.3 | Very high | 37 Ų | 37 | 36.8 Ų | 36.8 | 24% | 0.24 | 19% | 0.187 | C | C | . | . | trans | -59.6 | 153.1 | 175.2 | 25.3 | -34.7 | 0 | 0 | 0 | 111.2 | R430 L491 Q493 | P427-R430 HydrophobicContact CG-CG 4.42Å; P427-L491 WeakPolarHBondContact CB-O 3.15Å; P427-Q493 HydrophobicContact CB-CB 4.28Å; P427-Q493 HydrophobicContact CB-CG 4.03Å | ||
| 428 | V | 95.6 | Very high | 91.6 | Very high | 6 Ų | 6 | 41.6 Ų | 41.6 | 4% | 0.036 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -66.7 | -45.7 | 174.6 | 176 | 0 | 0 | 0 | 0 | 109.9 | L250 L421 L424 V458 L461 L491 | L250-V428 HydrophobicContact CD2-CB 4.49Å; L250-V428 HydrophobicContact CD2-CG1 3.88Å; L250-V428 HydrophobicContact CD2-CG2 4.19Å; L421-V428 HydrophobicContact CD2-CG2 3.81Å; L424-V428 HydrophobicContact CD1-CG2 3.65Å; V428-V458 HydrophobicContact CG1-CB 4.42Å; V428-V458 HydrophobicContact CG1-CG1 4.32Å; V428-V458 HydrophobicContact CG1-CG2 4.15Å; V428-V458 VanDerWaalsContact O-CG2 3.25Å; V428-V458 WeakPolarHBondContact O-CG2 3.31Å; V428-L461 HydrophobicContact CG1-CD1 3.73Å; V428-L461 HydrophobicContact CG2-CD1 4.13Å; V428-L491 HydrophobicContact CB-CB 4.48Å; V428-L491 HydrophobicContact CB-CD2 3.96Å; V428-L491 HydrophobicContact CG1-CD2 3.9Å; V428-L491 HydrophobicContact CG2-CD2 4.34Å; V428-L491 PolarHBondContact N-O 2.88Å |
| 429 | L | 93.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -103.7 | 104.6 | 176.4 | -175.8 | 61.2 | 0 | 0 | 0 | 108.9 | L434 F454 V458 L488 L491 A527 | L429-L434 HydrophobicContact CD1-CD2 4.13Å; L429-L434 HydrophobicContact CD1-CG 4.09Å; L429-L434 HydrophobicContact CD2-CD1 4.05Å; L429-L434 HydrophobicContact CD2-CD2 4.23Å; L429-L434 HydrophobicContact CD2-CG 4.38Å; L429-L434 HydrophobicContact CG-CD1 4.02Å; L429-L434 HydrophobicContact CG-CD2 4.4Å; L429-L434 HydrophobicContact CG-CG 4.15Å; L429-F454 HydrophobicContact CD1-CD1 4.01Å; L429-F454 HydrophobicContact CD1-CE1 3.45Å; L429-F454 VanDerWaalsContact CD1-CE1 3.45Å; L429-F454 HydrophobicContact CD1-CZ 3.94Å; L429-V458 HydrophobicContact CD1-CG1 4.07Å; L429-L488 HydrophobicContact CD2-CD2 4.24Å; L429-L491 HydrophobicContact CB-CB 4.03Å; L429-L491 PolarHBondContact N-O 2.86Å; L429-A527 HydrophobicContact CD2-CB 3.85Å |
| 430 | R | 91 | Very high | 90.5 | Very high | 91 Ų | 91 | 49 Ų | 49 | 34% | 0.343 | 24% | 0.244 | S | C | . | . | trans | -84.1 | 142.8 | -179 | -52.8 | 172.1 | -67.8 | -148.4 | -3.1 | 109.6 | P427 Q432 D433 L434 E455 | P427-R430 HydrophobicContact CG-CG 4.42Å; R430-Q432 PolarHBondContact O-N 2.96Å; R430-D433 VanDerWaalsContact CB-OD2 3.31Å; R430-D433 WeakPolarHBondContact CB-OD2 3.44Å; R430-D433 IonicContact CZ-OD1 2.84Å; R430-D433 IonicContact CZ-OD2 2.66Å; R430-D433 IonicContact NE-OD1 3.44Å; R430-D433 PolarHBondContact NE-OD1 2.97Å; R430-D433 IonicContact NE-OD2 3.74Å; R430-D433 PolarHBondContact NE-OD2 3.5Å; R430-D433 IonicContact NH2-OD1 2.88Å; R430-D433 PolarHBondContact NH2-OD1 3.29Å; R430-D433 IonicContact NH2-OD2 3.62Å; R430-D433 PolarHBondContact NH2-OD2 3.04Å; R430-D433 PolarHBondContact O-N 2.82Å; R430-L434 PolarHBondContact O-N 3.41Å; R430-E455 IonicContact CZ-OE1 2.71Å; R430-E455 IonicContact NH1-OE1 2.69Å; R430-E455 PolarHBondContact NH1-OE1 3.25Å; R430-E455 IonicContact NH2-OE1 2.63Å; R430-E455 PolarHBondContact NH2-OE1 2.95Å | ||
| 431 | M | 87.8 | Confident | 89.4 | Confident | 58 Ų | 58 | 54.6 Ų | 54.6 | 29% | 0.286 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.2 | -30.9 | 176.7 | -62.5 | -64.1 | 133 | 0 | 0 | 112.3 | D433 L434 L435 C492 L523 | M431-D433 VanDerWaalsContact C-N 3.34Å; M431-D433 PolarHBondContact O-N 3.31Å; M431-L434 HydrophobicContact CE-CD1 4.34Å; M431-L434 PolarHBondContact O-N 3.46Å; M431-L434 HydrophobicContact SD-CD1 4.18Å; M431-L435 WeakPolarHBondContact O-CG 3.3Å; M431-L435 PolarHBondContact O-N 3.29Å; M431-C492 HydrophobicContact CE-CB 3.68Å; M431-C492 WeakPolarHBondContact CE-SG 3.44Å; M431-L523 HydrophobicContact CB-CD1 4.33Å; M431-L523 HydrophobicContact SD-CD1 4.44Å |
| 432 | Q | 88.3 | Confident | 88.4 | Confident | 123 Ų | 123 | 58.7 Ų | 58.7 | 58% | 0.575 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -64.8 | -36.9 | 175.8 | -172.2 | 58.5 | 41.8 | 0 | 0 | 112.7 | R430 L434 L435 S436 | R430-Q432 PolarHBondContact O-N 2.96Å; Q432-L434 VanDerWaalsContact C-N 3.34Å; Q432-L435 PolarHBondContact O-N 2.84Å; Q432-S436 PolarHBondContact O-N 3.31Å; Q432-S436 PolarHBondContact O-OG 2.89Å |
| 433 | D | 89.5 | Confident | 87.4 | Confident | 17 Ų | 17 | 57 Ų | 57 | 9% | 0.091 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.5 | -39.6 | 178.2 | -54.7 | -37.7 | 0 | 0 | 0 | 109.8 | R430 M431 S436 L437 F454 | R430-D433 VanDerWaalsContact CB-OD2 3.31Å; R430-D433 WeakPolarHBondContact CB-OD2 3.44Å; R430-D433 IonicContact CZ-OD1 2.84Å; R430-D433 IonicContact CZ-OD2 2.66Å; R430-D433 IonicContact NE-OD1 3.44Å; R430-D433 PolarHBondContact NE-OD1 2.97Å; R430-D433 IonicContact NE-OD2 3.74Å; R430-D433 PolarHBondContact NE-OD2 3.5Å; R430-D433 IonicContact NH2-OD1 2.88Å; R430-D433 PolarHBondContact NH2-OD1 3.29Å; R430-D433 IonicContact NH2-OD2 3.62Å; R430-D433 PolarHBondContact NH2-OD2 3.04Å; R430-D433 PolarHBondContact O-N 2.82Å; M431-D433 VanDerWaalsContact C-N 3.34Å; M431-D433 PolarHBondContact O-N 3.31Å; D433-S436 PolarHBondContact O-N 3.46Å; D433-L437 PolarHBondContact O-N 2.91Å; D433-F454 HydrophobicContact CB-CD1 3.71Å; D433-F454 HydrophobicContact CB-CE1 3.57Å |
| 434 | L | 89 | Confident | 86.4 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.4 | -39.9 | 174 | -69.4 | 169 | 0 | 0 | 0 | 112.7 | L429 R430 M431 Q432 S436 L437 Q438 F454 L523 L526 A527 | L429-L434 HydrophobicContact CD1-CD2 4.13Å; L429-L434 HydrophobicContact CD1-CG 4.09Å; L429-L434 HydrophobicContact CD2-CD1 4.05Å; L429-L434 HydrophobicContact CD2-CD2 4.23Å; L429-L434 HydrophobicContact CD2-CG 4.38Å; L429-L434 HydrophobicContact CG-CD1 4.02Å; L429-L434 HydrophobicContact CG-CD2 4.4Å; L429-L434 HydrophobicContact CG-CG 4.15Å; R430-L434 PolarHBondContact O-N 3.41Å; M431-L434 HydrophobicContact CE-CD1 4.34Å; M431-L434 PolarHBondContact O-N 3.46Å; M431-L434 HydrophobicContact SD-CD1 4.18Å; Q432-L434 VanDerWaalsContact C-N 3.34Å; L434-S436 VanDerWaalsContact C-N 3.32Å; L434-S436 PolarHBondContact O-N 2.98Å; L434-L437 PolarHBondContact O-N 2.97Å; L434-Q438 PolarHBondContact O-N 3.43Å; L434-F454 HydrophobicContact CD2-CE1 4.43Å; L434-F454 HydrophobicContact CD2-CZ 4.02Å; L434-L523 HydrophobicContact CB-CB 4.22Å; L434-L523 HydrophobicContact CB-CD2 4.06Å; L434-L523 HydrophobicContact CD1-CB 4.35Å; L434-L526 WeakPolarHBondContact O-CD2 3.31Å; L434-A527 HydrophobicContact CD1-CB 4.11Å; L434-A527 HydrophobicContact CD2-CB 3.84Å |
| 435 | L | 88.1 | Confident | 85.5 | Confident | 56 Ų | 56 | 70.1 Ų | 70.1 | 29% | 0.293 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 174.5 | -79.4 | 163.4 | 0 | 0 | 0 | 111.5 | M431 Q432 L437 Q438 Q439 L523 | M431-L435 WeakPolarHBondContact O-CG 3.3Å; M431-L435 PolarHBondContact O-N 3.29Å; Q432-L435 PolarHBondContact O-N 2.84Å; L435-L437 VanDerWaalsContact C-N 3.29Å; L435-L437 PolarHBondContact O-N 3.27Å; L435-Q438 PolarHBondContact O-N 2.66Å; L435-Q439 WeakPolarHBondContact O-CG 3.32Å; L435-Q439 PolarHBondContact O-N 2.84Å; L435-Q439 VanDerWaalsContact O-N 3.16Å; L435-L523 HydrophobicContact CB-CD2 4.43Å; L435-L523 HydrophobicContact CD1-CD1 4.22Å; L435-L523 HydrophobicContact CD2-CD1 3.86Å; L435-L523 HydrophobicContact CD2-CD2 3.73Å; L435-L523 HydrophobicContact CD2-CG 4.26Å; L435-L523 HydrophobicContact CG-CD1 3.63Å; L435-L523 HydrophobicContact CG-CD2 3.82Å; L435-L523 HydrophobicContact CG-CG 4.34Å |
| 436 | S | 87.4 | Confident | 84.9 | Confident | 46 Ų | 46 | 66 Ų | 66 | 32% | 0.322 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.4 | -37.7 | 179.4 | -52.2 | 0 | 0 | 0 | 0 | 110.9 | Q432 D433 L434 Q439 N440 | Q432-S436 PolarHBondContact O-N 3.31Å; Q432-S436 PolarHBondContact O-OG 2.89Å; D433-S436 PolarHBondContact O-N 3.46Å; L434-S436 VanDerWaalsContact C-N 3.32Å; L434-S436 PolarHBondContact O-N 2.98Å; S436-Q439 PolarHBondContact O-N 3.13Å; S436-N440 PolarHBondContact O-N 2.67Å |
| 437 | L | 86.7 | Confident | 84.3 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68.6 | -41 | 174 | -173.9 | 66.4 | 0 | 0 | 0 | 112.9 | D433 L434 L435 Q439 N440 F443 S450 I453 F454 L526 I530 | D433-L437 PolarHBondContact O-N 2.91Å; L434-L437 PolarHBondContact O-N 2.97Å; L435-L437 VanDerWaalsContact C-N 3.29Å; L435-L437 PolarHBondContact O-N 3.27Å; L437-Q439 PolarHBondContact O-N 3.27Å; L437-N440 VanDerWaalsContact O-CB 3.24Å; L437-N440 WeakPolarHBondContact O-CB 3.35Å; L437-N440 PolarHBondContact O-N 3.36Å; L437-F443 HydrophobicContact CD1-CD2 3.57Å; L437-F443 HydrophobicContact CD1-CE2 4.13Å; L437-F443 HydrophobicContact CD1-CG 4.4Å; L437-F443 HydrophobicContact CD2-CD2 3.96Å; L437-F443 HydrophobicContact CD2-CE2 3.72Å; L437-F443 HydrophobicContact CD2-CZ 4.49Å; L437-F443 HydrophobicContact CG-CD2 3.73Å; L437-F443 HydrophobicContact CG-CE2 4.03Å; L437-F443 HydrophobicContact CG-CG 4.38Å; L437-S450 VanDerWaalsContact CD1-O 3.31Å; L437-S450 WeakPolarHBondContact CD1-O 3.42Å; L437-I453 HydrophobicContact CB-CD1 4.45Å; L437-I453 HydrophobicContact CD1-CD1 3.8Å; L437-F454 HydrophobicContact CD2-CE2 3.67Å; L437-F454 HydrophobicContact CD2-CZ 3.63Å; L437-L526 HydrophobicContact CB-CD2 4.25Å; L437-L526 HydrophobicContact CD2-CD2 4.15Å; L437-L526 HydrophobicContact CD2-CG 4.39Å; L437-L526 HydrophobicContact CG-CD2 4.23Å; L437-I530 HydrophobicContact CD2-CD1 3.34Å; L437-I530 HydrophobicContact CD2-CG1 4.44Å |
| 438 | Q | 83.7 | Confident | 83.6 | Confident | 100 Ų | 100 | 66.8 Ų | 66.8 | 47% | 0.467 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.7 | -32.2 | 176.7 | -171.7 | -178.6 | 13.7 | 0 | 0 | 112 | L434 L435 N440 L523 L526 | L434-Q438 PolarHBondContact O-N 3.43Å; L435-Q438 PolarHBondContact O-N 2.66Å; Q438-N440 VanDerWaalsContact C-N 3.3Å; Q438-L523 HydrophobicContact CB-CD2 4.47Å; Q438-L523 VanDerWaalsContact OE1-CD2 3.28Å; Q438-L526 HydrophobicContact CB-CD2 3.92Å |
| 439 | Q | 83.9 | Confident | 82.9 | Confident | 155 Ų | 155 | 69.8 Ų | 69.8 | 72% | 0.724 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -5.6 | 176.4 | -66.7 | 174.9 | 0.3 | 0 | 0 | 113.2 | L435 S436 L437 P441 | L435-Q439 WeakPolarHBondContact O-CG 3.32Å; L435-Q439 PolarHBondContact O-N 2.84Å; L435-Q439 VanDerWaalsContact O-N 3.16Å; S436-Q439 PolarHBondContact O-N 3.13Å; L437-Q439 PolarHBondContact O-N 3.27Å; Q439-P441 VanDerWaalsContact O-CD 3.3Å; Q439-P441 WeakPolarHBondContact O-CD 3.33Å |
| 440 | N | 82.3 | Confident | 82.4 | Confident | 38 Ų | 38 | 69.9 Ų | 69.9 | 20% | 0.203 | 35% | 0.354 | C | S | . | . | trans | -78.5 | 114.9 | 179.2 | -174.8 | -8.7 | 0 | 0 | 0 | 110.2 | S436 L437 Q438 L442 F443 I453 | S436-N440 PolarHBondContact O-N 2.67Å; L437-N440 VanDerWaalsContact O-CB 3.24Å; L437-N440 WeakPolarHBondContact O-CB 3.35Å; L437-N440 PolarHBondContact O-N 3.36Å; Q438-N440 VanDerWaalsContact C-N 3.3Å; N440-L442 PolarHBondContact O-N 2.95Å; N440-L442 VanDerWaalsContact O-N 3.13Å; N440-L442 PolarHBondContact OD1-N 3.16Å; N440-F443 PolarHBondContact O-N 3.27Å; N440-I453 HydrophobicContact CB-CD1 3.82Å; N440-I453 VanDerWaalsContact ND2-CD1 3.33Å; N440-I453 WeakPolarHBondContact ND2-CD1 3.41Å | ||
| 441 | P | 75.3 | Confident | 82.1 | Confident | 119 Ų | 119 | 66 Ų | 66 | 77% | 0.773 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -19.5 | -178.2 | 25.1 | -33.9 | 0 | 0 | 0 | 114 | Q439 | Q439-P441 VanDerWaalsContact O-CD 3.3Å; Q439-P441 WeakPolarHBondContact O-CD 3.33Å |
| 442 | L | 73.6 | Confident | 82 | Confident | 87 Ų | 87 | 69.8 Ų | 69.8 | 46% | 0.455 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -2.2 | -177 | -62.6 | 172.5 | 0 | 0 | 0 | 114.2 | N440 E444 E445 D446 S450 | N440-L442 PolarHBondContact O-N 2.95Å; N440-L442 VanDerWaalsContact O-N 3.13Å; N440-L442 PolarHBondContact OD1-N 3.16Å; L442-E444 VanDerWaalsContact C-N 3.31Å; L442-E444 PolarHBondContact O-N 3.38Å; L442-E445 WeakPolarHBondContact CD2-OE2 3.48Å; L442-E445 PolarHBondContact O-N 3.49Å; L442-D446 PolarHBondContact O-N 3.02Å; L442-D446 VanDerWaalsContact O-N 3.15Å; L442-S450 PolarHBondContact O-OG 3.46Å |
| 443 | F | 71.2 | Confident | 81.9 | Confident | 19 Ų | 19 | 67.1 Ų | 67.1 | 8% | 0.083 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -40.6 | -169.9 | 178.4 | -106.7 | 0 | 0 | 0 | 114 | L437 N440 I447 S450 L526 I530 | L437-F443 HydrophobicContact CD1-CD2 3.57Å; L437-F443 HydrophobicContact CD1-CE2 4.13Å; L437-F443 HydrophobicContact CD1-CG 4.4Å; L437-F443 HydrophobicContact CD2-CD2 3.96Å; L437-F443 HydrophobicContact CD2-CE2 3.72Å; L437-F443 HydrophobicContact CD2-CZ 4.49Å; L437-F443 HydrophobicContact CG-CD2 3.73Å; L437-F443 HydrophobicContact CG-CE2 4.03Å; L437-F443 HydrophobicContact CG-CG 4.38Å; N440-F443 PolarHBondContact O-N 3.27Å; F443-I447 HydrophobicContact CE2-CG1 4.45Å; F443-I447 HydrophobicContact CE2-CG2 4.21Å; F443-I447 HydrophobicContact CZ-CG1 4.46Å; F443-I447 WeakPolarHBondContact O-CG1 3.41Å; F443-S450 WeakPolarHBondContact CA-OG 3.25Å; F443-L526 HydrophobicContact CD1-CD1 3.8Å; F443-L526 HydrophobicContact CE1-CD1 3.16Å; F443-L526 HydrophobicContact CE2-CD1 4.19Å; F443-L526 HydrophobicContact CZ-CD1 3.39Å; F443-I530 HydrophobicContact CE2-CD1 4.16Å; F443-I530 HydrophobicContact CE2-CG1 3.9Å; F443-I530 HydrophobicContact CZ-CD1 4.24Å; F443-I530 HydrophobicContact CZ-CG1 3.71Å |
| 444 | E | 71.1 | Confident | 81.9 | Confident | 162 Ų | 162 | 66.7 Ų | 66.7 | 76% | 0.757 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -15.9 | -179.1 | -63.2 | -166.7 | 163.3 | 0 | 0 | 113.4 | L442 | L442-E444 VanDerWaalsContact C-N 3.31Å; L442-E444 PolarHBondContact O-N 3.38Å |
| 445 | E | 77.2 | Confident | 82 | Confident | 158 Ų | 158 | 70.5 Ų | 70.5 | 74% | 0.738 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -44.9 | 179.1 | -63.7 | -174 | 173 | 0 | 0 | 111.9 | L442 | L442-E445 WeakPolarHBondContact CD2-OE2 3.48Å; L442-E445 PolarHBondContact O-N 3.49Å |
| 446 | D | 80.5 | Confident | 82.2 | Confident | 68 Ų | 68 | 73 Ų | 73 | 36% | 0.364 | 37% | 0.369 | S | S | . | . | trans | -143.5 | 94.5 | 176.6 | -172.4 | -11.4 | 0 | 0 | 0 | 110.9 | L442 L448 T449 S450 | L442-D446 PolarHBondContact O-N 3.02Å; L442-D446 VanDerWaalsContact O-N 3.15Å; D446-L448 VanDerWaalsContact C-N 3.27Å; D446-L448 PolarHBondContact O-N 3.11Å; D446-L448 WeakPolarHBondContact OD1-CB 3.4Å; D446-L448 PolarHBondContact OD1-N 3.21Å; D446-T449 VanDerWaalsContact CG-OG1 3.23Å; D446-T449 PolarHBondContact OD1-N 3.22Å; D446-T449 VanDerWaalsContact OD1-N 3.1Å; D446-T449 WeakPolarHBondContact OD2-CB 3.25Å; D446-T449 PolarHBondContact OD2-OG1 3.27Å; D446-S450 WeakPolarHBondContact O-CB 3.48Å; D446-S450 PolarHBondContact O-N 3.18Å; D446-S450 PolarHBondContact O-OG 3.32Å | ||
| 447 | I | 80.1 | Confident | 82.6 | Confident | 39 Ų | 39 | 71.7 Ų | 71.7 | 20% | 0.2 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.1 | -40.4 | 178.4 | -64.2 | 172 | 0 | 0 | 0 | 110.5 | F443 S450 L451 F533 | F443-I447 HydrophobicContact CE2-CG1 4.45Å; F443-I447 HydrophobicContact CE2-CG2 4.21Å; F443-I447 HydrophobicContact CZ-CG1 4.46Å; F443-I447 WeakPolarHBondContact O-CG1 3.41Å; I447-S450 PolarHBondContact O-N 2.89Å; I447-L451 WeakPolarHBondContact O-CG 3.43Å; I447-L451 PolarHBondContact O-N 3.13Å; I447-L451 VanDerWaalsContact O-N 3.08Å; I447-F533 HydrophobicContact CB-CD1 4.17Å; I447-F533 HydrophobicContact CB-CD2 4.48Å; I447-F533 HydrophobicContact CB-CE1 4.03Å; I447-F533 HydrophobicContact CB-CE2 4.34Å; I447-F533 HydrophobicContact CB-CG 4.39Å; I447-F533 HydrophobicContact CB-CZ 4.12Å; I447-F533 HydrophobicContact CD1-CB 4.21Å; I447-F533 HydrophobicContact CD1-CD1 4.47Å; I447-F533 HydrophobicContact CD1-CD2 3.63Å; I447-F533 HydrophobicContact CD1-CE2 4.09Å; I447-F533 HydrophobicContact CD1-CG 3.84Å; I447-F533 HydrophobicContact CG2-CD1 3.54Å; I447-F533 HydrophobicContact CG2-CE1 3.76Å; I447-F533 HydrophobicContact CG2-CG 3.96Å; I447-F533 HydrophobicContact CG2-CZ 4.35Å |
| 448 | L | 80.4 | Confident | 83 | Confident | 61 Ų | 61 | 71.8 Ų | 71.8 | 32% | 0.319 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.5 | -47.5 | -175.1 | -72.7 | 171.8 | 0 | 0 | 0 | 111.5 | D446 S450 L451 F533 F537 | D446-L448 VanDerWaalsContact C-N 3.27Å; D446-L448 PolarHBondContact O-N 3.11Å; D446-L448 WeakPolarHBondContact OD1-CB 3.4Å; D446-L448 PolarHBondContact OD1-N 3.21Å; L448-S450 PolarHBondContact O-N 3.32Å; L448-L451 WeakPolarHBondContact O-CB 3.46Å; L448-L451 PolarHBondContact O-N 3.08Å; L448-L451 VanDerWaalsContact O-N 3.17Å; L448-F533 HydrophobicContact CD2-CE1 3.73Å; L448-F533 HydrophobicContact CD2-CZ 4.24Å; L448-F533 HydrophobicContact CG-CE1 3.88Å; L448-F533 HydrophobicContact CG-CZ 3.93Å; L448-F537 HydrophobicContact CD1-CD2 4.27Å; L448-F537 HydrophobicContact CD1-CE2 3.66Å; L448-F537 HydrophobicContact CD1-CZ 3.96Å; L448-F537 HydrophobicContact CD2-CZ 4.44Å |
| 449 | T | 79.8 | Confident | 83.4 | Confident | 68 Ų | 68 | 67.9 Ų | 67.9 | 42% | 0.417 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.3 | -36.7 | 175.2 | -62.8 | 0 | 0 | 0 | 0 | 110.6 | D446 L451 E452 | D446-T449 VanDerWaalsContact CG-OG1 3.23Å; D446-T449 PolarHBondContact OD1-N 3.22Å; D446-T449 VanDerWaalsContact OD1-N 3.1Å; D446-T449 WeakPolarHBondContact OD2-CB 3.25Å; D446-T449 PolarHBondContact OD2-OG1 3.27Å; T449-L451 PolarHBondContact O-N 3.35Å; T449-E452 VanDerWaalsContact O-CB 3.31Å; T449-E452 WeakPolarHBondContact O-CB 3.5Å; T449-E452 VanDerWaalsContact O-CG 3.31Å; T449-E452 WeakPolarHBondContact O-CG 3.39Å; T449-E452 PolarHBondContact O-N 3.44Å; T449-E452 VanDerWaalsContact O-N 3.12Å |
| 450 | S | 83.1 | Confident | 83.9 | Confident | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.4 | -21.2 | 178.1 | -58.5 | 0 | 0 | 0 | 0 | 114 | L437 L442 F443 D446 I447 L448 E452 I453 | L437-S450 VanDerWaalsContact CD1-O 3.31Å; L437-S450 WeakPolarHBondContact CD1-O 3.42Å; L442-S450 PolarHBondContact O-OG 3.46Å; F443-S450 WeakPolarHBondContact CA-OG 3.25Å; D446-S450 WeakPolarHBondContact O-CB 3.48Å; D446-S450 PolarHBondContact O-N 3.18Å; D446-S450 PolarHBondContact O-OG 3.32Å; I447-S450 PolarHBondContact O-N 2.89Å; L448-S450 PolarHBondContact O-N 3.32Å; S450-E452 PolarHBondContact O-N 3.37Å; S450-I453 PolarHBondContact O-N 2.82Å |
| 451 | L | 85.9 | Confident | 84.5 | Confident | 8 Ų | 8 | 59 Ų | 59 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -68.8 | -11.8 | 173 | -63 | -177.4 | 0 | 0 | 0 | 113.5 | I447 L448 T449 I453 F454 V459 I530 L534 | I447-L451 WeakPolarHBondContact O-CG 3.43Å; I447-L451 PolarHBondContact O-N 3.13Å; I447-L451 VanDerWaalsContact O-N 3.08Å; L448-L451 WeakPolarHBondContact O-CB 3.46Å; L448-L451 PolarHBondContact O-N 3.08Å; L448-L451 VanDerWaalsContact O-N 3.17Å; T449-L451 PolarHBondContact O-N 3.35Å; L451-I453 PolarHBondContact O-N 2.91Å; L451-F454 HydrophobicContact CB-CD2 4.45Å; L451-F454 HydrophobicContact CD2-CD2 3.88Å; L451-F454 HydrophobicContact CD2-CE2 3.76Å; L451-F454 WeakPolarHBondContact O-CB 3.42Å; L451-F454 PolarHBondContact O-N 3.38Å; L451-V459 HydrophobicContact CB-CG2 4.2Å; L451-V459 HydrophobicContact CD1-CG1 4.26Å; L451-I530 HydrophobicContact CD2-CD1 4.4Å; L451-I530 HydrophobicContact CD2-CG1 4.49Å; L451-I530 HydrophobicContact CD2-CG2 3.59Å; L451-L534 HydrophobicContact CD1-CD2 3.97Å |
| 452 | E | 85 | Confident | 85.4 | Confident | 139 Ų | 139 | 53.3 Ų | 53.3 | 65% | 0.65 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -64.3 | -18.4 | 174.7 | -66.1 | -170.4 | 161.8 | 0 | 0 | 113.4 | T449 S450 F454 | T449-E452 VanDerWaalsContact O-CB 3.31Å; T449-E452 WeakPolarHBondContact O-CB 3.5Å; T449-E452 VanDerWaalsContact O-CG 3.31Å; T449-E452 WeakPolarHBondContact O-CG 3.39Å; T449-E452 PolarHBondContact O-N 3.44Å; T449-E452 VanDerWaalsContact O-N 3.12Å; S450-E452 PolarHBondContact O-N 3.37Å; E452-F454 PolarHBondContact O-N 3.09Å |
| 453 | I | 86.9 | Confident | 86.4 | Confident | 66 Ų | 66 | 49.3 Ų | 49.3 | 34% | 0.338 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -58.9 | -33 | 169.7 | -71.5 | 178.3 | 0 | 0 | 0 | 111 | L437 N440 S450 L451 | L437-I453 HydrophobicContact CB-CD1 4.45Å; L437-I453 HydrophobicContact CD1-CD1 3.8Å; N440-I453 HydrophobicContact CB-CD1 3.82Å; N440-I453 VanDerWaalsContact ND2-CD1 3.33Å; N440-I453 WeakPolarHBondContact ND2-CD1 3.41Å; S450-I453 PolarHBondContact O-N 2.82Å; L451-I453 PolarHBondContact O-N 2.91Å |
| 454 | F | 89.7 | Confident | 87.5 | Confident | 8 Ų | 8 | 48.8 Ų | 48.8 | 4% | 0.035 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -82.5 | 146 | 178.7 | -60.6 | -63.2 | 0 | 0 | 0 | 111.8 | L429 D433 L434 L437 L451 E452 K456 V458 V459 I530 | L429-F454 HydrophobicContact CD1-CD1 4.01Å; L429-F454 HydrophobicContact CD1-CE1 3.45Å; L429-F454 VanDerWaalsContact CD1-CE1 3.45Å; L429-F454 HydrophobicContact CD1-CZ 3.94Å; D433-F454 HydrophobicContact CB-CD1 3.71Å; D433-F454 HydrophobicContact CB-CE1 3.57Å; L434-F454 HydrophobicContact CD2-CE1 4.43Å; L434-F454 HydrophobicContact CD2-CZ 4.02Å; L437-F454 HydrophobicContact CD2-CE2 3.67Å; L437-F454 HydrophobicContact CD2-CZ 3.63Å; L451-F454 HydrophobicContact CB-CD2 4.45Å; L451-F454 HydrophobicContact CD2-CD2 3.88Å; L451-F454 HydrophobicContact CD2-CE2 3.76Å; L451-F454 WeakPolarHBondContact O-CB 3.42Å; L451-F454 PolarHBondContact O-N 3.38Å; E452-F454 PolarHBondContact O-N 3.09Å; F454-K456 PolarHBondContact O-N 3.49Å; F454-V458 HydrophobicContact CB-CB 4.17Å; F454-V458 HydrophobicContact CB-CG1 4.27Å; F454-V458 HydrophobicContact CD1-CG1 4.32Å; F454-V458 HydrophobicContact CG-CG1 4.34Å; F454-V459 HydrophobicContact CB-CG2 3.77Å; F454-V459 HydrophobicContact CD2-CG2 4.48Å; F454-I530 HydrophobicContact CE2-CD1 4.1Å; F454-I530 HydrophobicContact CZ-CD1 4.29Å |
| 455 | E | 91.3 | Very high | 88.7 | Confident | 81 Ų | 81 | 41.1 Ų | 41.1 | 38% | 0.379 | 21% | 0.206 | S | C | . | . | trans | -59.4 | 140.4 | 168.8 | -62.5 | 173.4 | -163.7 | 0 | 0 | 110.2 | R430 P457 V458 V459 | R430-E455 IonicContact CZ-OE1 2.71Å; R430-E455 IonicContact NH1-OE1 2.69Å; R430-E455 PolarHBondContact NH1-OE1 3.25Å; R430-E455 IonicContact NH2-OE1 2.63Å; R430-E455 PolarHBondContact NH2-OE1 2.95Å; E455-P457 VanDerWaalsContact C-N 3.29Å; E455-P457 VanDerWaalsContact O-N 3.09Å; E455-V458 HydrophobicContact CB-CG2 4.28Å; E455-V458 WeakPolarHBondContact O-CB 3.44Å; E455-V458 PolarHBondContact O-N 3.15Å; E455-V459 PolarHBondContact O-N 3.41Å | ||
| 456 | K | 92.3 | Very high | 89.6 | Confident | 108 Ų | 108 | 33.6 Ų | 33.6 | 47% | 0.47 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -48.3 | -41.6 | -177 | -59 | -173.3 | 179.7 | -173.1 | 0 | 114.3 | F454 V458 V459 C460 F552 | F454-K456 PolarHBondContact O-N 3.49Å; K456-V458 VanDerWaalsContact C-N 3.28Å; K456-V458 PolarHBondContact O-N 3.31Å; K456-V459 PolarHBondContact O-N 3.09Å; K456-C460 WeakPolarHBondContact O-CB 3.49Å; K456-C460 PolarHBondContact O-N 3.24Å; K456-C460 PolarHBondContact O-SG 3.35Å; K456-F552 HydrophobicContact CB-CE2 4.43Å; K456-F552 HydrophobicContact CB-CZ 4Å; K456-F552 HydrophobicContact CD-CE1 4.08Å; K456-F552 HydrophobicContact CD-CZ 3.99Å; K456-F552 HydrophobicContact CG-CE1 4.16Å; K456-F552 HydrophobicContact CG-CZ 3.79Å |
| 457 | P | 95.1 | Very high | 90.1 | Very high | 18 Ų | 18 | 30.6 Ų | 30.6 | 12% | 0.117 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.5 | -35.1 | 175.7 | -29.1 | 39.4 | 0 | 0 | 0 | 115.2 | L250 L254 N271 E455 L461 | L250-P457 HydrophobicContact CD2-CB 3.69Å; L250-P457 HydrophobicContact CG-CB 4.18Å; L254-P457 HydrophobicContact CD1-CB 3.53Å; L254-P457 HydrophobicContact CD1-CG 3.52Å; N271-P457 HydrophobicContact CB-CG 4.39Å; N271-P457 WeakPolarHBondContact O-CA 3.44Å; E455-P457 VanDerWaalsContact C-N 3.29Å; E455-P457 VanDerWaalsContact O-N 3.09Å; P457-L461 WeakPolarHBondContact O-CB 3.45Å; P457-L461 WeakPolarHBondContact O-CG 3.37Å; P457-L461 PolarHBondContact O-N 3.49Å |
| 458 | V | 94.1 | Very high | 90.9 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.018 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.3 | -51.7 | 179.8 | -178.5 | 0 | 0 | 0 | 0 | 109.4 | V428 L429 F454 E455 K456 C460 L461 M462 | V428-V458 HydrophobicContact CG1-CB 4.42Å; V428-V458 HydrophobicContact CG1-CG1 4.32Å; V428-V458 HydrophobicContact CG1-CG2 4.15Å; V428-V458 VanDerWaalsContact O-CG2 3.25Å; V428-V458 WeakPolarHBondContact O-CG2 3.31Å; L429-V458 HydrophobicContact CD1-CG1 4.07Å; F454-V458 HydrophobicContact CB-CB 4.17Å; F454-V458 HydrophobicContact CB-CG1 4.27Å; F454-V458 HydrophobicContact CD1-CG1 4.32Å; F454-V458 HydrophobicContact CG-CG1 4.34Å; E455-V458 HydrophobicContact CB-CG2 4.28Å; E455-V458 WeakPolarHBondContact O-CB 3.44Å; E455-V458 PolarHBondContact O-N 3.15Å; K456-V458 VanDerWaalsContact C-N 3.28Å; K456-V458 PolarHBondContact O-N 3.31Å; V458-C460 VanDerWaalsContact C-N 3.31Å; V458-C460 PolarHBondContact O-N 2.94Å; V458-L461 PolarHBondContact O-N 3.44Å; V458-M462 HydrophobicContact CG1-SD 4.12Å; V458-M462 WeakPolarHBondContact O-CG 3.45Å; V458-M462 PolarHBondContact O-N 3.49Å |
| 459 | V | 92.6 | Very high | 91.6 | Very high | 18 Ų | 18 | 26.2 Ų | 26.2 | 11% | 0.109 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.3 | -41.8 | 178 | -175.9 | 0 | 0 | 0 | 0 | 111.2 | L451 F454 E455 K456 M462 S463 | L451-V459 HydrophobicContact CB-CG2 4.2Å; L451-V459 HydrophobicContact CD1-CG1 4.26Å; F454-V459 HydrophobicContact CB-CG2 3.77Å; F454-V459 HydrophobicContact CD2-CG2 4.48Å; E455-V459 PolarHBondContact O-N 3.41Å; K456-V459 PolarHBondContact O-N 3.09Å; V459-M462 PolarHBondContact O-N 3.07Å; V459-S463 VanDerWaalsContact O-CB 3.29Å; V459-S463 WeakPolarHBondContact O-CB 3.29Å; V459-S463 PolarHBondContact O-N 2.9Å; V459-S463 PolarHBondContact O-OG 3.33Å |
| 460 | C | 93.8 | Very high | 92.2 | Very high | 5 Ų | 5 | 24.3 Ų | 24.3 | 3% | 0.034 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.3 | -41.3 | 177.4 | -70.9 | 0 | 0 | 0 | 0 | 112.8 | N271 I272 K456 V458 L464 | N271-C460 HydrophobicContact CB-CB 4.25Å; I272-C460 HydrophobicContact CD1-CB 4.27Å; I272-C460 HydrophobicContact CG1-CB 3.73Å; K456-C460 WeakPolarHBondContact O-CB 3.49Å; K456-C460 PolarHBondContact O-N 3.24Å; K456-C460 PolarHBondContact O-SG 3.35Å; V458-C460 VanDerWaalsContact C-N 3.31Å; V458-C460 PolarHBondContact O-N 2.94Å; C460-L464 WeakPolarHBondContact O-CB 3.42Å; C460-L464 PolarHBondContact O-N 3.23Å |
| 461 | L | 95.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68.2 | -44.8 | 176.9 | -81.7 | 172 | 0 | 0 | 0 | 111.9 | L250 P273 I276 V428 P457 V458 S463 L464 F465 L491 | L250-L461 HydrophobicContact CD1-CD1 4.16Å; L250-L461 HydrophobicContact CD2-CD1 3.89Å; P273-L461 HydrophobicContact CG-CD1 4.5Å; P273-L461 HydrophobicContact CG-CD2 4.48Å; I276-L461 HydrophobicContact CB-CD2 4.26Å; I276-L461 HydrophobicContact CG2-CD2 3.83Å; V428-L461 HydrophobicContact CG1-CD1 3.73Å; V428-L461 HydrophobicContact CG2-CD1 4.13Å; P457-L461 WeakPolarHBondContact O-CB 3.45Å; P457-L461 WeakPolarHBondContact O-CG 3.37Å; P457-L461 PolarHBondContact O-N 3.49Å; V458-L461 PolarHBondContact O-N 3.44Å; L461-S463 VanDerWaalsContact C-N 3.3Å; L461-S463 PolarHBondContact O-N 3.22Å; L461-L464 WeakPolarHBondContact O-CB 3.13Å; L461-L464 PolarHBondContact O-N 3.23Å; L461-F465 HydrophobicContact CD2-CE2 4.47Å; L461-F465 WeakPolarHBondContact O-CD2 3.5Å; L461-F465 PolarHBondContact O-N 3.2Å; L461-L491 HydrophobicContact CB-CD2 4.42Å |
| 462 | M | 94.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.7 | -44.8 | 174.4 | -69.7 | 179.4 | 75.8 | 0 | 0 | 111.3 | V458 V459 L464 F465 A466 L491 I530 M531 L534 | V458-M462 HydrophobicContact CG1-SD 4.12Å; V458-M462 WeakPolarHBondContact O-CG 3.45Å; V458-M462 PolarHBondContact O-N 3.49Å; V459-M462 PolarHBondContact O-N 3.07Å; M462-L464 PolarHBondContact O-N 3.2Å; M462-F465 PolarHBondContact O-N 3.01Å; M462-A466 WeakPolarHBondContact O-CB 3.46Å; M462-A466 PolarHBondContact O-N 3.13Å; M462-L491 HydrophobicContact CG-CD1 3.69Å; M462-I530 HydrophobicContact CE-CB 4.13Å; M462-I530 HydrophobicContact CE-CG2 3.49Å; M462-I530 VanDerWaalsContact CE-CG2 3.49Å; M462-M531 HydrophobicContact CB-SD 3.79Å; M462-M531 HydrophobicContact CE-CG 3.88Å; M462-M531 HydrophobicContact CE-SD 3.64Å; M462-M531 HydrophobicContact CG-SD 4.02Å; M462-L534 HydrophobicContact CB-CD1 3.69Å; M462-L534 HydrophobicContact CE-CD1 4.23Å |
| 463 | S | 93 | Very high | 93 | Very high | 3 Ų | 3 | 22.8 Ų | 22.8 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65 | -37.5 | 177.8 | -57.3 | 0 | 0 | 0 | 0 | 112.6 | V459 L461 K467 | V459-S463 VanDerWaalsContact O-CB 3.29Å; V459-S463 WeakPolarHBondContact O-CB 3.29Å; V459-S463 PolarHBondContact O-N 2.9Å; V459-S463 PolarHBondContact O-OG 3.33Å; L461-S463 VanDerWaalsContact C-N 3.3Å; L461-S463 PolarHBondContact O-N 3.22Å; S463-K467 VanDerWaalsContact O-CB 3.32Å; S463-K467 WeakPolarHBondContact O-CB 3.26Å; S463-K467 PolarHBondContact O-N 3.44Å |
| 464 | L | 95.2 | Very high | 93.1 | Very high | 7 Ų | 7 | 25.7 Ų | 25.7 | 4% | 0.037 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.8 | -46.1 | 175.4 | 177.6 | 64.5 | 0 | 0 | 0 | 111.4 | I272 I276 Y277 C280 C460 L461 M462 K467 L468 | I272-L464 HydrophobicContact CG2-CD2 3.89Å; I276-L464 HydrophobicContact CG2-CD2 3.89Å; Y277-L464 HydrophobicContact CD2-CD1 4.47Å; C280-L464 HydrophobicContact CB-CD1 4.04Å; C280-L464 HydrophobicContact CB-CD2 4.34Å; C280-L464 HydrophobicContact CB-CG 4.21Å; C460-L464 WeakPolarHBondContact O-CB 3.42Å; C460-L464 PolarHBondContact O-N 3.23Å; L461-L464 WeakPolarHBondContact O-CB 3.13Å; L461-L464 PolarHBondContact O-N 3.23Å; M462-L464 PolarHBondContact O-N 3.2Å; L464-K467 WeakPolarHBondContact O-CB 3.45Å; L464-K467 PolarHBondContact O-N 3.05Å; L464-L468 PolarHBondContact O-N 2.91Å |
| 465 | F | 97 | Very high | 93 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 0% | 0.004 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -69.4 | -40.4 | 177.4 | -71.9 | -59.9 | 0 | 0 | 0 | 112.7 | I276 I417 L421 L461 M462 K467 L468 I469 V487 W490 L491 M531 | I276-F465 HydrophobicContact CG2-CE1 4.37Å; I276-F465 HydrophobicContact CG2-CE2 4.39Å; I276-F465 HydrophobicContact CG2-CZ 3.78Å; I417-F465 HydrophobicContact CG2-CE1 4.15Å; I417-F465 HydrophobicContact CG2-CZ 3.99Å; L421-F465 HydrophobicContact CD1-CE2 4.2Å; L421-F465 HydrophobicContact CD1-CZ 3.9Å; L461-F465 HydrophobicContact CD2-CE2 4.47Å; L461-F465 WeakPolarHBondContact O-CD2 3.5Å; L461-F465 PolarHBondContact O-N 3.2Å; M462-F465 PolarHBondContact O-N 3.01Å; F465-K467 PolarHBondContact O-N 2.83Å; F465-L468 WeakPolarHBondContact O-CB 3.35Å; F465-L468 PolarHBondContact O-N 3.48Å; F465-L468 VanDerWaalsContact O-N 3.14Å; F465-I469 WeakPolarHBondContact O-CG1 3.37Å; F465-I469 PolarHBondContact O-N 3.15Å; F465-V487 HydrophobicContact CB-CG1 3.64Å; F465-V487 HydrophobicContact CB-CG2 3.99Å; F465-V487 HydrophobicContact CD1-CG2 4.21Å; F465-V487 HydrophobicContact CD2-CG1 3.77Å; F465-V487 HydrophobicContact CG-CG1 3.75Å; F465-V487 HydrophobicContact CG-CG2 4.13Å; F465-W490 HydrophobicContact CE1-CE3 4.16Å; F465-W490 HydrophobicContact CE1-CZ3 4.03Å; F465-W490 HydrophobicContact CZ-CE3 4.29Å; F465-L491 HydrophobicContact CD2-CD2 4.31Å; F465-L491 HydrophobicContact CE2-CD2 4.02Å; F465-M531 HydrophobicContact CB-CE 4.27Å |
| 466 | A | 94.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.3 | -39.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | M462 I469 T470 M531 L534 I535 V538 | M462-A466 WeakPolarHBondContact O-CB 3.46Å; M462-A466 PolarHBondContact O-N 3.13Å; A466-I469 PolarHBondContact O-N 2.85Å; A466-T470 PolarHBondContact O-N 2.96Å; A466-T470 PolarHBondContact O-OG1 3.08Å; A466-M531 HydrophobicContact CB-CE 4.16Å; A466-L534 HydrophobicContact CB-CB 3.76Å; A466-I535 HydrophobicContact CB-CG1 3.78Å; A466-V538 HydrophobicContact CB-CG2 4.25Å |
| 467 | K | 92.6 | Very high | 92.8 | Very high | 5 Ų | 5 | 28.5 Ų | 28.5 | 2% | 0.022 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.5 | -44 | 174.6 | -168.4 | 171.4 | -160.1 | 166.2 | 0 | 112.8 | S463 L464 F465 I469 T470 Y471 V538 C542 L544 I545 S547 V548 | S463-K467 VanDerWaalsContact O-CB 3.32Å; S463-K467 WeakPolarHBondContact O-CB 3.26Å; S463-K467 PolarHBondContact O-N 3.44Å; L464-K467 WeakPolarHBondContact O-CB 3.45Å; L464-K467 PolarHBondContact O-N 3.05Å; F465-K467 PolarHBondContact O-N 2.83Å; K467-I469 VanDerWaalsContact C-N 3.33Å; K467-I469 PolarHBondContact O-N 3.5Å; K467-T470 WeakPolarHBondContact O-CB 3.5Å; K467-T470 PolarHBondContact O-N 2.91Å; K467-T470 VanDerWaalsContact O-N 3.16Å; K467-Y471 HydrophobicContact CG-CD2 4.34Å; K467-Y471 HydrophobicContact CG-CE2 3.99Å; K467-Y471 VanDerWaalsContact O-CD2 3.23Å; K467-Y471 WeakPolarHBondContact O-CD2 3.46Å; K467-Y471 PolarHBondContact O-N 3.03Å; K467-V538 HydrophobicContact CB-CG1 4.14Å; K467-V538 HydrophobicContact CG-CG1 4.07Å; K467-C542 WeakPolarHBondContact CE-SG 3.36Å; K467-C542 PolarHBondContact NZ-SG 3.29Å; K467-L544 WeakPolarHBondContact CE-O 3.5Å; K467-L544 PolarHBondContact NZ-O 3.06Å; K467-I545 VanDerWaalsContact NZ-C 3.26Å; K467-I545 PolarHBondContact NZ-O 3.3Å; K467-I545 VanDerWaalsContact NZ-O 3.09Å; K467-S547 PolarHBondContact NZ-OG 3.24Å; K467-V548 HydrophobicContact CD-CG2 4.45Å |
| 468 | L | 95.4 | Very high | 92.4 | Very high | 6 Ų | 6 | 29.9 Ų | 29.9 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57 | -46.5 | 173.6 | 176.2 | 62.1 | 0 | 0 | 0 | 111.4 | L283 V284 I287 L373 L464 F465 T470 Y471 | L283-L468 HydrophobicContact CB-CD1 3.99Å; L283-L468 HydrophobicContact CD1-CD2 4.03Å; V284-L468 HydrophobicContact CG2-CD1 3.64Å; I287-L468 HydrophobicContact CD1-CD1 4.2Å; L373-L468 HydrophobicContact CD1-CD2 4.37Å; L373-L468 HydrophobicContact CD2-CD2 4.24Å; L464-L468 PolarHBondContact O-N 2.91Å; F465-L468 WeakPolarHBondContact O-CB 3.35Å; F465-L468 PolarHBondContact O-N 3.48Å; F465-L468 VanDerWaalsContact O-N 3.14Å; L468-T470 VanDerWaalsContact C-N 3.28Å; L468-T470 PolarHBondContact O-N 3Å; L468-Y471 WeakPolarHBondContact O-CB 3.32Å; L468-Y471 PolarHBondContact O-N 3.35Å; L468-Y471 VanDerWaalsContact O-N 3.14Å |
| 469 | I | 94.9 | Very high | 92.2 | Very high | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.015 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.6 | -36.8 | 177 | -65.5 | 169.5 | 0 | 0 | 0 | 111.2 | F465 A466 K467 Y471 L472 E480 L483 I484 V487 I535 | F465-I469 WeakPolarHBondContact O-CG1 3.37Å; F465-I469 PolarHBondContact O-N 3.15Å; A466-I469 PolarHBondContact O-N 2.85Å; K467-I469 VanDerWaalsContact C-N 3.33Å; K467-I469 PolarHBondContact O-N 3.5Å; I469-Y471 VanDerWaalsContact C-N 3.25Å; I469-Y471 PolarHBondContact O-N 3.37Å; I469-L472 WeakPolarHBondContact O-CB 3.19Å; I469-L472 PolarHBondContact O-N 2.9Å; I469-L472 VanDerWaalsContact O-N 3.08Å; I469-E480 HydrophobicContact CG2-CG 4.43Å; I469-L483 HydrophobicContact CD1-CB 4.03Å; I469-L483 HydrophobicContact CG1-CB 4.2Å; I469-L483 HydrophobicContact CG1-CD1 4.33Å; I469-L483 HydrophobicContact CG2-CD1 4.24Å; I469-I484 HydrophobicContact CD1-CG1 4.3Å; I469-V487 HydrophobicContact CD1-CG2 4.19Å; I469-I535 HydrophobicContact CB-CD1 4.19Å; I469-I535 HydrophobicContact CB-CG1 4.34Å; I469-I535 HydrophobicContact CD1-CD1 3.96Å; I469-I535 HydrophobicContact CG2-CD1 3.8Å; I469-I535 HydrophobicContact CG2-CG1 4.28Å |
| 470 | T | 92.5 | Very high | 92.2 | Very high | 28 Ų | 28 | 32.7 Ų | 32.7 | 17% | 0.172 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.6 | -33 | 176.5 | -55.2 | 0 | 0 | 0 | 0 | 112.2 | A466 K467 L468 L472 Q473 V538 K539 | A466-T470 PolarHBondContact O-N 2.96Å; A466-T470 PolarHBondContact O-OG1 3.08Å; K467-T470 WeakPolarHBondContact O-CB 3.5Å; K467-T470 PolarHBondContact O-N 2.91Å; K467-T470 VanDerWaalsContact O-N 3.16Å; L468-T470 VanDerWaalsContact C-N 3.28Å; L468-T470 PolarHBondContact O-N 3Å; T470-L472 VanDerWaalsContact C-N 3.26Å; T470-L472 PolarHBondContact O-N 3.06Å; T470-Q473 WeakPolarHBondContact O-CB 3.29Å; T470-Q473 PolarHBondContact O-N 3.39Å; T470-V538 HydrophobicContact CG2-CG1 4.27Å; T470-K539 HydrophobicContact CG2-CB 4.07Å; T470-K539 HydrophobicContact CG2-CG 4.44Å |
| 471 | Y | 91.6 | Very high | 92.1 | Very high | 63 Ų | 63 | 33.8 Ų | 33.8 | 25% | 0.247 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -70.6 | -17.9 | 176.1 | -84 | -78.6 | 0 | 0 | 0 | 114 | V284 K467 L468 I469 Q473 I545 | V284-Y471 HydrophobicContact CB-CD2 4.48Å; V284-Y471 HydrophobicContact CG1-CD1 3.61Å; V284-Y471 HydrophobicContact CG1-CD2 3.89Å; V284-Y471 HydrophobicContact CG1-CE1 3.74Å; V284-Y471 HydrophobicContact CG1-CE2 4.03Å; V284-Y471 HydrophobicContact CG1-CG 3.71Å; V284-Y471 HydrophobicContact CG2-CD2 3.69Å; V284-Y471 HydrophobicContact CG2-CE2 4.27Å; V284-Y471 HydrophobicContact CG2-CG 3.96Å; K467-Y471 HydrophobicContact CG-CD2 4.34Å; K467-Y471 HydrophobicContact CG-CE2 3.99Å; K467-Y471 VanDerWaalsContact O-CD2 3.23Å; K467-Y471 WeakPolarHBondContact O-CD2 3.46Å; K467-Y471 PolarHBondContact O-N 3.03Å; L468-Y471 WeakPolarHBondContact O-CB 3.32Å; L468-Y471 PolarHBondContact O-N 3.35Å; L468-Y471 VanDerWaalsContact O-N 3.14Å; I469-Y471 VanDerWaalsContact C-N 3.25Å; I469-Y471 PolarHBondContact O-N 3.37Å; Y471-Q473 VanDerWaalsContact C-N 3.34Å; Y471-I545 HydrophobicContact CE2-CD1 4.08Å; Y471-I545 HydrophobicContact CE2-CG1 3.61Å |
| 472 | L | 92.4 | Very high | 91.9 | Very high | 8 Ų | 8 | 34.5 Ų | 34.5 | 4% | 0.042 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -6.1 | 177.2 | -66.6 | 168.1 | 0 | 0 | 0 | 113.1 | I287 A366 V369 L373 I469 T470 L475 L483 | I287-L472 HydrophobicContact CD1-CD2 3.49Å; I287-L472 VanDerWaalsContact CD1-CD2 3.49Å; I287-L472 HydrophobicContact CD1-CG 3.9Å; I287-L472 HydrophobicContact CG1-CD2 3.93Å; A366-L472 HydrophobicContact CB-CD2 4.25Å; A366-L472 WeakPolarHBondContact O-CD2 3.47Å; V369-L472 HydrophobicContact CB-CD2 4.25Å; V369-L472 HydrophobicContact CG1-CD2 4.12Å; L373-L472 HydrophobicContact CD1-CD1 3.66Å; I469-L472 WeakPolarHBondContact O-CB 3.19Å; I469-L472 PolarHBondContact O-N 2.9Å; I469-L472 VanDerWaalsContact O-N 3.08Å; T470-L472 VanDerWaalsContact C-N 3.26Å; T470-L472 PolarHBondContact O-N 3.06Å; L472-L475 HydrophobicContact CB-CD1 3.85Å; L472-L475 HydrophobicContact CB-CD2 4.35Å; L472-L475 HydrophobicContact CB-CG 4.24Å; L472-L475 WeakPolarHBondContact O-CD2 3.28Å; L472-L475 WeakPolarHBondContact O-CG 3.13Å; L472-L483 HydrophobicContact CD1-CD1 3.75Å |
| 473 | Q | 87.3 | Confident | 91.8 | Very high | 47 Ų | 47 | 34.6 Ų | 34.6 | 22% | 0.22 | 18% | 0.182 | C | C | . | . | trans | -72.8 | 146.8 | -176.5 | -67 | -69.3 | -35.2 | 0 | 0 | 111.9 | T470 Y471 L475 E480 | T470-Q473 WeakPolarHBondContact O-CB 3.29Å; T470-Q473 PolarHBondContact O-N 3.39Å; Y471-Q473 VanDerWaalsContact C-N 3.34Å; Q473-L475 VanDerWaalsContact OE1-N 3.09Å; Q473-E480 PolarHBondContact NE2-OE2 2.88Å | ||
| 474 | P | 89.1 | Confident | 91.9 | Very high | 126 Ų | 126 | 34.4 Ų | 34.4 | 82% | 0.818 | 18% | 0.181 | S | C | * | . | S | Bend | cis | -80.4 | 137 | 6.1 | 32 | -34.3 | 0 | 0 | 0 | 113.5 | ||
| 475 | L | 87.9 | Confident | 91.7 | Very high | 31 Ų | 31 | 34.9 Ų | 34.9 | 16% | 0.162 | 18% | 0.183 | C | C | . | . | trans | -118.6 | 149 | 173.4 | -67 | 176.5 | 0 | 0 | 0 | 111.6 | L370 L472 Q473 M479 L483 | L370-L475 HydrophobicContact CD1-CD2 4.41Å; L370-L475 HydrophobicContact CD2-CD2 4.01Å; L472-L475 HydrophobicContact CB-CD1 3.85Å; L472-L475 HydrophobicContact CB-CD2 4.35Å; L472-L475 HydrophobicContact CB-CG 4.24Å; L472-L475 WeakPolarHBondContact O-CD2 3.28Å; L472-L475 WeakPolarHBondContact O-CG 3.13Å; Q473-L475 VanDerWaalsContact OE1-N 3.09Å; L475-M479 HydrophobicContact CB-CB 4.43Å; L475-L483 HydrophobicContact CD1-CD1 3.5Å; L475-L483 VanDerWaalsContact CD1-CD1 3.5Å | ||
| 476 | P | 90 | Very high | 91.6 | Very high | 82 Ų | 82 | 35.6 Ų | 35.6 | 53% | 0.532 | 19% | 0.186 | S | C | . | . | trans | -57.2 | 142.3 | 162.5 | -20.9 | 32.4 | 0 | 0 | 0 | 110.6 | Q478 M479 E480 | P476-Q478 PolarHBondContact O-N 3.38Å; P476-Q478 VanDerWaalsContact O-N 3.13Å; P476-M479 HydrophobicContact CB-CG 4.32Å; P476-M479 HydrophobicContact CG-CG 4.23Å; P476-M479 WeakPolarHBondContact O-CB 3.28Å; P476-M479 PolarHBondContact O-N 3.06Å; P476-E480 PolarHBondContact O-N 3.47Å; P476-E480 VanDerWaalsContact O-N 3.12Å | ||
| 477 | E | 89.1 | Confident | 91.6 | Very high | 143 Ų | 143 | 36 Ų | 36 | 67% | 0.668 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -51.3 | -40.8 | -178.9 | -175.1 | 179.6 | 176.4 | 0 | 0 | 112.4 | M479 E480 H481 | E477-M479 VanDerWaalsContact C-N 3.34Å; E477-M479 PolarHBondContact O-N 3.45Å; E477-E480 PolarHBondContact O-N 3.37Å; E477-H481 WeakPolarHBondContact O-CB 3.44Å; E477-H481 PolarHBondContact O-CD2 3.13Å; E477-H481 VanDerWaalsContact O-CD2 3.24Å; E477-H481 PolarHBondContact O-N 3.41Å; E477-H481 IonicContact OE1-CE1 3.47Å; E477-H481 PolarHBondContact OE1-CE1 3.18Å; E477-H481 IonicContact OE1-NE2 3.82Å |
| 478 | Q | 86.9 | Confident | 91.6 | Very high | 47 Ų | 47 | 35.8 Ų | 35.8 | 22% | 0.22 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.2 | -43.3 | 175.8 | -64.6 | 177.3 | -4.9 | 0 | 0 | 112.7 | P476 H481 L482 N509 | P476-Q478 PolarHBondContact O-N 3.38Å; P476-Q478 VanDerWaalsContact O-N 3.13Å; Q478-H481 PolarHBondContact O-N 3.48Å; Q478-L482 VanDerWaalsContact O-CG 3.31Å; Q478-L482 WeakPolarHBondContact O-CG 3.29Å; Q478-L482 PolarHBondContact O-N 3.47Å; Q478-N509 PolarHBondContact NE2-OD1 3.4Å |
| 479 | M | 90.2 | Very high | 91.5 | Very high | 58 Ų | 58 | 36 Ų | 36 | 29% | 0.286 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -70.5 | -40.6 | -179 | -67.1 | -63.3 | -179.8 | 0 | 0 | 111.1 | L374 L475 P476 E477 H481 L482 L483 | L374-M479 HydrophobicContact CD1-SD 4.01Å; L475-M479 HydrophobicContact CB-CB 4.43Å; P476-M479 HydrophobicContact CB-CG 4.32Å; P476-M479 HydrophobicContact CG-CG 4.23Å; P476-M479 WeakPolarHBondContact O-CB 3.28Å; P476-M479 PolarHBondContact O-N 3.06Å; E477-M479 VanDerWaalsContact C-N 3.34Å; E477-M479 PolarHBondContact O-N 3.45Å; M479-H481 VanDerWaalsContact C-N 3.3Å; M479-H481 PolarHBondContact O-N 2.88Å; M479-L482 PolarHBondContact O-N 3.01Å; M479-L482 HydrophobicContact SD-CD1 4.42Å; M479-L483 WeakPolarHBondContact O-CG 3.45Å; M479-L483 PolarHBondContact O-N 3.01Å |
| 480 | E | 91.7 | Very high | 91.4 | Very high | 23 Ų | 23 | 36.1 Ų | 36.1 | 11% | 0.107 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.6 | -43.3 | 173.6 | -175.1 | 172.1 | 135.4 | 0 | 0 | 111 | I469 Q473 P476 E477 L482 L483 I484 H532 | I469-E480 HydrophobicContact CG2-CG 4.43Å; Q473-E480 PolarHBondContact NE2-OE2 2.88Å; P476-E480 PolarHBondContact O-N 3.47Å; P476-E480 VanDerWaalsContact O-N 3.12Å; E477-E480 PolarHBondContact O-N 3.37Å; E480-L482 PolarHBondContact O-N 3.37Å; E480-L483 PolarHBondContact O-N 3.31Å; E480-I484 HydrophobicContact CG-CD1 4.08Å; E480-I484 WeakPolarHBondContact O-CG1 3.29Å; E480-I484 PolarHBondContact O-N 2.97Å; E480-H532 IonicContact OE1-CD2 3.28Å; E480-H532 PolarHBondContact OE1-CD2 3.38Å; E480-H532 VanDerWaalsContact OE1-CD2 3.28Å; E480-H532 IonicContact OE1-NE2 3.79Å |
| 481 | H | 91.7 | Very high | 91.5 | Very high | 27 Ų | 27 | 34.8 Ų | 34.8 | 13% | 0.125 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.8 | -42.9 | 177.1 | -70.1 | -172.1 | 0 | 0 | 0 | 112.4 | E477 Q478 M479 I484 E485 F512 F528 | E477-H481 WeakPolarHBondContact O-CB 3.44Å; E477-H481 PolarHBondContact O-CD2 3.13Å; E477-H481 VanDerWaalsContact O-CD2 3.24Å; E477-H481 PolarHBondContact O-N 3.41Å; E477-H481 IonicContact OE1-CE1 3.47Å; E477-H481 PolarHBondContact OE1-CE1 3.18Å; E477-H481 IonicContact OE1-NE2 3.82Å; Q478-H481 PolarHBondContact O-N 3.48Å; M479-H481 VanDerWaalsContact C-N 3.3Å; M479-H481 PolarHBondContact O-N 2.88Å; H481-I484 PolarHBondContact O-N 3.45Å; H481-E485 WeakPolarHBondContact O-CB 3.47Å; H481-E485 PolarHBondContact O-N 3.07Å; H481-F512 HydrophobicContact CB-CE1 4.12Å; H481-F512 HydrophobicContact CB-CZ 3.89Å; H481-F512 AromaticContact ND1-CE1 3.69Å; H481-F528 HydrophobicContact CB-CE2 4.29Å; H481-F528 HydrophobicContact CB-CZ 4.01Å; H481-F528 AromaticContact CD2-CZ 3.5Å; H481-F528 VanDerWaalsContact CD2-CZ 3.5Å; H481-F528 WeakPolarHBondContact CD2-CZ 3.43Å; H481-F528 AromaticContact CG-CZ 3.7Å; H481-F528 AromaticContact NE2-CZ 3.97Å |
| 482 | L | 91.6 | Very high | 91.6 | Very high | 15 Ų | 15 | 32.2 Ų | 32.2 | 8% | 0.079 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.8 | -37.9 | 176.9 | -69.4 | 179.7 | 0 | 0 | 0 | 112.6 | L374 Q478 M479 E480 E485 R486 L499 F512 | L374-L482 HydrophobicContact CD2-CB 3.66Å; Q478-L482 VanDerWaalsContact O-CG 3.31Å; Q478-L482 WeakPolarHBondContact O-CG 3.29Å; Q478-L482 PolarHBondContact O-N 3.47Å; M479-L482 PolarHBondContact O-N 3.01Å; M479-L482 HydrophobicContact SD-CD1 4.42Å; E480-L482 PolarHBondContact O-N 3.37Å; L482-E485 PolarHBondContact O-N 3.21Å; L482-R486 WeakPolarHBondContact O-CB 3.45Å; L482-R486 PolarHBondContact O-N 2.95Å; L482-L499 HydrophobicContact CD1-CD1 4.34Å; L482-L499 HydrophobicContact CD1-CD2 4.14Å; L482-L499 HydrophobicContact CD2-CD2 3.46Å; L482-L499 VanDerWaalsContact CD2-CD2 3.46Å; L482-L499 HydrophobicContact CG-CD2 4.38Å; L482-F512 HydrophobicContact CD2-CE2 4.16Å |
| 483 | L | 94.4 | Very high | 91.5 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.8 | -43.6 | 174.9 | -73.5 | 176.5 | 0 | 0 | 0 | 112.1 | L370 L373 L374 I469 L472 L475 M479 E480 E485 R486 V487 | L370-L483 HydrophobicContact CD1-CD1 3.76Å; L370-L483 HydrophobicContact CD1-CD2 4Å; L370-L483 HydrophobicContact CD1-CG 4Å; L373-L483 HydrophobicContact CB-CD2 3.63Å; L373-L483 HydrophobicContact CD1-CD2 3.92Å; L373-L483 HydrophobicContact CG-CD2 4.41Å; L374-L483 HydrophobicContact CD2-CD2 3.92Å; L374-L483 HydrophobicContact CD2-CG 4.32Å; L374-L483 HydrophobicContact CG-CD2 4.18Å; I469-L483 HydrophobicContact CD1-CB 4.03Å; I469-L483 HydrophobicContact CG1-CB 4.2Å; I469-L483 HydrophobicContact CG1-CD1 4.33Å; I469-L483 HydrophobicContact CG2-CD1 4.24Å; L472-L483 HydrophobicContact CD1-CD1 3.75Å; L475-L483 HydrophobicContact CD1-CD1 3.5Å; L475-L483 VanDerWaalsContact CD1-CD1 3.5Å; M479-L483 WeakPolarHBondContact O-CG 3.45Å; M479-L483 PolarHBondContact O-N 3.01Å; E480-L483 PolarHBondContact O-N 3.31Å; L483-E485 VanDerWaalsContact C-N 3.33Å; L483-R486 PolarHBondContact O-N 3.24Å; L483-V487 WeakPolarHBondContact O-CG2 3.35Å; L483-V487 PolarHBondContact O-N 2.89Å |
| 484 | I | 94.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.4 | -45.8 | 175.8 | -66.3 | 167.1 | 0 | 0 | 0 | 109.8 | I469 E480 H481 R486 V487 L488 F528 M531 H532 I535 | I469-I484 HydrophobicContact CD1-CG1 4.3Å; E480-I484 HydrophobicContact CG-CD1 4.08Å; E480-I484 WeakPolarHBondContact O-CG1 3.29Å; E480-I484 PolarHBondContact O-N 2.97Å; H481-I484 PolarHBondContact O-N 3.45Å; I484-R486 VanDerWaalsContact C-N 3.33Å; I484-R486 PolarHBondContact O-N 3.26Å; I484-V487 PolarHBondContact O-N 2.8Å; I484-L488 HydrophobicContact CG2-CD1 3.92Å; I484-L488 HydrophobicContact CG2-CG 4.26Å; I484-L488 WeakPolarHBondContact O-CB 3.31Å; I484-L488 VanDerWaalsContact O-CG 3.31Å; I484-L488 WeakPolarHBondContact O-CG 3.49Å; I484-L488 PolarHBondContact O-N 3.28Å; I484-F528 HydrophobicContact CB-CD2 4.03Å; I484-F528 HydrophobicContact CB-CE2 3.68Å; I484-F528 HydrophobicContact CB-CZ 4.27Å; I484-F528 HydrophobicContact CD1-CE1 4.28Å; I484-F528 HydrophobicContact CD1-CE2 4.18Å; I484-F528 HydrophobicContact CD1-CZ 3.9Å; I484-F528 HydrophobicContact CG2-CB 4.49Å; I484-F528 HydrophobicContact CG2-CD2 3.33Å; I484-F528 HydrophobicContact CG2-CE2 3.53Å; I484-F528 HydrophobicContact CG2-CG 3.9Å; I484-F528 HydrophobicContact CG2-CZ 4.25Å; I484-M531 HydrophobicContact CG2-CB 3.65Å; I484-M531 HydrophobicContact CG2-CG 4.28Å; I484-H532 HydrophobicContact CD1-CB 4.1Å; I484-I535 HydrophobicContact CD1-CD1 3.7Å; I484-I535 HydrophobicContact CG1-CD1 3.64Å |
| 485 | E | 91.6 | Very high | 90.4 | Very high | 17 Ų | 17 | 38.8 Ų | 38.8 | 8% | 0.079 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.7 | -46.6 | 175.7 | -179.2 | 176.1 | 169.3 | 0 | 0 | 111.5 | H481 L482 L483 V487 L488 N489 R519 F520 | H481-E485 WeakPolarHBondContact O-CB 3.47Å; H481-E485 PolarHBondContact O-N 3.07Å; L482-E485 PolarHBondContact O-N 3.21Å; L483-E485 VanDerWaalsContact C-N 3.33Å; E485-V487 PolarHBondContact O-N 3.2Å; E485-L488 PolarHBondContact O-N 3.28Å; E485-N489 WeakPolarHBondContact O-CB 3.38Å; E485-N489 VanDerWaalsContact O-CG 3.25Å; E485-N489 PolarHBondContact O-N 3.23Å; E485-N489 PolarHBondContact O-ND2 3Å; E485-R519 VanDerWaalsContact CD-NH2 3.34Å; E485-R519 IonicContact OE1-CZ 3.46Å; E485-R519 IonicContact OE1-NE 2.78Å; E485-R519 PolarHBondContact OE1-NE 3.43Å; E485-R519 IonicContact OE1-NH2 3.55Å; E485-R519 PolarHBondContact OE1-NH2 2.99Å; E485-R519 IonicContact OE2-CZ 2.88Å; E485-R519 VanDerWaalsContact OE2-CZ 3.25Å; E485-R519 IonicContact OE2-NE 3.25Å; E485-R519 PolarHBondContact OE2-NE 3.44Å; E485-R519 IonicContact OE2-NH1 3.93Å; E485-R519 IonicContact OE2-NH2 3.27Å; E485-R519 PolarHBondContact OE2-NH2 3.3Å; E485-F520 HydrophobicContact CB-CZ 3.91Å; E485-F520 HydrophobicContact CG-CE1 4.04Å; E485-F520 HydrophobicContact CG-CZ 3.62Å |
| 486 | R | 92.9 | Very high | 89.3 | Confident | 16 Ų | 16 | 38.9 Ų | 38.9 | 6% | 0.06 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.7 | -47.8 | 178.4 | -177.4 | 68.1 | 166.9 | 142.8 | 5.3 | 111.9 | L373 T375 Y378 D418 L482 L483 I484 L488 N489 W490 S496 | L373-R486 WeakPolarHBondContact O-CG 3.5Å; L373-R486 PolarHBondContact O-NE 3.38Å; T375-R486 PolarHBondContact O-NH2 3.48Å; Y378-R486 PolarHBondContact OH-NH2 3.15Å; Y378-R486 VanDerWaalsContact OH-NH2 3.08Å; D418-R486 IonicContact OD2-CZ 3.08Å; D418-R486 IonicContact OD2-NH1 3.25Å; D418-R486 IonicContact OD2-NH2 3.27Å; D418-R486 PolarHBondContact OD2-NH2 3.34Å; L482-R486 WeakPolarHBondContact O-CB 3.45Å; L482-R486 PolarHBondContact O-N 2.95Å; L483-R486 PolarHBondContact O-N 3.24Å; I484-R486 VanDerWaalsContact C-N 3.33Å; I484-R486 PolarHBondContact O-N 3.26Å; R486-L488 PolarHBondContact O-N 3.47Å; R486-N489 PolarHBondContact O-N 2.97Å; R486-W490 HydrophobicContact CG-CH2 4.38Å; R486-W490 HydrophobicContact CG-CZ2 4.21Å; R486-W490 PolarHBondContact O-N 3.4Å; R486-W490 VanDerWaalsContact O-N 3.1Å; R486-S496 PolarHBondContact NH1-OG 2.94Å |
| 487 | V | 94.9 | Very high | 87.8 | Confident | 8 Ų | 8 | 41.2 Ų | 41.2 | 5% | 0.048 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.9 | -44.3 | 178 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | F465 I469 L483 I484 E485 N489 W490 L491 M531 | F465-V487 HydrophobicContact CB-CG1 3.64Å; F465-V487 HydrophobicContact CB-CG2 3.99Å; F465-V487 HydrophobicContact CD1-CG2 4.21Å; F465-V487 HydrophobicContact CD2-CG1 3.77Å; F465-V487 HydrophobicContact CG-CG1 3.75Å; F465-V487 HydrophobicContact CG-CG2 4.13Å; I469-V487 HydrophobicContact CD1-CG2 4.19Å; L483-V487 WeakPolarHBondContact O-CG2 3.35Å; L483-V487 PolarHBondContact O-N 2.89Å; I484-V487 PolarHBondContact O-N 2.8Å; E485-V487 PolarHBondContact O-N 3.2Å; V487-N489 VanDerWaalsContact C-N 3.31Å; V487-N489 PolarHBondContact O-N 3.28Å; V487-W490 HydrophobicContact CG2-CE3 4.42Å; V487-W490 HydrophobicContact CG2-CZ3 4.47Å; V487-W490 WeakPolarHBondContact O-CB 3.34Å; V487-W490 PolarHBondContact O-N 3.14Å; V487-L491 HydrophobicContact CG1-CD1 3.9Å; V487-L491 HydrophobicContact CG1-CG 4.23Å; V487-L491 WeakPolarHBondContact O-CG 3.16Å; V487-L491 PolarHBondContact O-N 3.42Å; V487-M531 HydrophobicContact CG1-CE 3.94Å |
| 488 | L | 93.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.6 | -35.7 | 178.2 | -70.6 | 178.2 | 0 | 0 | 0 | 112.4 | L429 I484 E485 R486 W490 L491 C492 L524 A527 F528 M531 | L429-L488 HydrophobicContact CD2-CD2 4.24Å; I484-L488 HydrophobicContact CG2-CD1 3.92Å; I484-L488 HydrophobicContact CG2-CG 4.26Å; I484-L488 WeakPolarHBondContact O-CB 3.31Å; I484-L488 VanDerWaalsContact O-CG 3.31Å; I484-L488 WeakPolarHBondContact O-CG 3.49Å; I484-L488 PolarHBondContact O-N 3.28Å; E485-L488 PolarHBondContact O-N 3.28Å; R486-L488 PolarHBondContact O-N 3.47Å; L488-W490 VanDerWaalsContact C-N 3.34Å; L488-L491 PolarHBondContact O-N 3.33Å; L488-C492 WeakPolarHBondContact O-CB 3.49Å; L488-C492 PolarHBondContact O-N 2.81Å; L488-C492 PolarHBondContact O-SG 3.01Å; L488-L524 HydrophobicContact CB-CD1 4.09Å; L488-L524 HydrophobicContact CD1-CD1 4.16Å; L488-A527 HydrophobicContact CD1-CB 4.14Å; L488-A527 HydrophobicContact CD2-CB 3.72Å; L488-F528 HydrophobicContact CD1-CB 3.96Å; L488-F528 HydrophobicContact CD1-CD2 4.32Å; L488-M531 HydrophobicContact CD2-CG 3.75Å; L488-M531 HydrophobicContact CG-CG 4.26Å |
| 489 | N | 91.9 | Very high | 84.6 | Confident | 12 Ų | 12 | 39.4 Ų | 39.4 | 6% | 0.064 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.8 | -41.3 | 173.7 | -72.4 | -23.7 | 0 | 0 | 0 | 111.4 | E485 R486 V487 Q493 K494 S496 | E485-N489 WeakPolarHBondContact O-CB 3.38Å; E485-N489 VanDerWaalsContact O-CG 3.25Å; E485-N489 PolarHBondContact O-N 3.23Å; E485-N489 PolarHBondContact O-ND2 3Å; R486-N489 PolarHBondContact O-N 2.97Å; V487-N489 VanDerWaalsContact C-N 3.31Å; V487-N489 PolarHBondContact O-N 3.28Å; N489-Q493 CarbonylContact O-C 3.55Å; N489-Q493 WeakPolarHBondContact O-CA 3.45Å; N489-Q493 PolarHBondContact O-N 3.03Å; N489-K494 PolarHBondContact O-N 3.41Å; N489-S496 PolarHBondContact ND2-OG 3.34Å |
| 490 | W | 94.4 | Very high | 82.4 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.015 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.8 | -50.6 | 172.5 | -71.6 | -30.6 | 0 | 0 | 0 | 112.7 | L373 V414 I417 D418 L421 F465 R486 V487 L488 C492 Q493 | L373-W490 HydrophobicContact CD2-CH2 3.85Å; L373-W490 HydrophobicContact CD2-CZ3 4.25Å; V414-W490 HydrophobicContact CG1-CH2 3.84Å; V414-W490 HydrophobicContact CG1-CZ2 3.67Å; I417-W490 HydrophobicContact CG2-CD2 4.18Å; I417-W490 HydrophobicContact CG2-CE3 3.86Å; I417-W490 HydrophobicContact CG2-CH2 4.08Å; I417-W490 HydrophobicContact CG2-CZ2 4.36Å; I417-W490 HydrophobicContact CG2-CZ3 3.82Å; D418-W490 HydrophobicContact CB-CZ2 4.49Å; D418-W490 VanDerWaalsContact CG-NE1 3.29Å; D418-W490 VanDerWaalsContact OD1-CD1 3.24Å; D418-W490 PolarHBondContact OD1-NE1 3.08Å; L421-W490 HydrophobicContact CB-CB 4.44Å; L421-W490 HydrophobicContact CD1-CB 3.68Å; L421-W490 HydrophobicContact CD1-CD2 4.46Å; L421-W490 HydrophobicContact CD1-CG 4.17Å; F465-W490 HydrophobicContact CE1-CE3 4.16Å; F465-W490 HydrophobicContact CE1-CZ3 4.03Å; F465-W490 HydrophobicContact CZ-CE3 4.29Å; R486-W490 HydrophobicContact CG-CH2 4.38Å; R486-W490 HydrophobicContact CG-CZ2 4.21Å; R486-W490 PolarHBondContact O-N 3.4Å; R486-W490 VanDerWaalsContact O-N 3.1Å; V487-W490 HydrophobicContact CG2-CE3 4.42Å; V487-W490 HydrophobicContact CG2-CZ3 4.47Å; V487-W490 WeakPolarHBondContact O-CB 3.34Å; V487-W490 PolarHBondContact O-N 3.14Å; L488-W490 VanDerWaalsContact C-N 3.34Å; W490-C492 VanDerWaalsContact C-N 3.27Å; W490-C492 PolarHBondContact O-N 2.95Å; W490-Q493 PolarHBondContact O-N 3.24Å |
| 491 | L | 94.8 | Very high | 80.1 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.7 | -33.7 | -176.4 | -65.3 | 179 | 0 | 0 | 0 | 112.2 | P427 V428 L429 L461 M462 F465 V487 L488 | P427-L491 WeakPolarHBondContact CB-O 3.15Å; V428-L491 HydrophobicContact CB-CB 4.48Å; V428-L491 HydrophobicContact CB-CD2 3.96Å; V428-L491 HydrophobicContact CG1-CD2 3.9Å; V428-L491 HydrophobicContact CG2-CD2 4.34Å; V428-L491 PolarHBondContact N-O 2.88Å; L429-L491 HydrophobicContact CB-CB 4.03Å; L429-L491 PolarHBondContact N-O 2.86Å; L461-L491 HydrophobicContact CB-CD2 4.42Å; M462-L491 HydrophobicContact CG-CD1 3.69Å; F465-L491 HydrophobicContact CD2-CD2 4.31Å; F465-L491 HydrophobicContact CE2-CD2 4.02Å; V487-L491 HydrophobicContact CG1-CD1 3.9Å; V487-L491 HydrophobicContact CG1-CG 4.23Å; V487-L491 WeakPolarHBondContact O-CG 3.16Å; V487-L491 PolarHBondContact O-N 3.42Å; L488-L491 PolarHBondContact O-N 3.33Å |
| 492 | C | 92.5 | Very high | 77.5 | Confident | 10 Ų | 10 | 50 Ų | 50 | 7% | 0.068 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -2.1 | 178.2 | -59.3 | 0 | 0 | 0 | 0 | 113.9 | M431 L488 W490 K494 | M431-C492 HydrophobicContact CE-CB 3.68Å; M431-C492 WeakPolarHBondContact CE-SG 3.44Å; L488-C492 WeakPolarHBondContact O-CB 3.49Å; L488-C492 PolarHBondContact O-N 2.81Å; L488-C492 PolarHBondContact O-SG 3.01Å; W490-C492 VanDerWaalsContact C-N 3.27Å; W490-C492 PolarHBondContact O-N 2.95Å; C492-K494 HydrophobicContact CB-CD 4.38Å; C492-K494 HydrophobicContact CB-CG 3.99Å; C492-K494 PolarHBondContact O-N 3.36Å |
| 493 | Q | 90.8 | Very high | 75 | Confident | 60 Ų | 60 | 56.1 Ų | 56.1 | 28% | 0.28 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 38.5 | -171.2 | -62 | -179.4 | -33.3 | 0 | 0 | 113.8 | L421 T422 L424 P427 N489 W490 | L421-Q493 PolarHBondContact O-NE2 2.98Å; T422-Q493 PolarHBondContact O-NE2 2.75Å; L424-Q493 PolarHBondContact O-NE2 2.84Å; P427-Q493 HydrophobicContact CB-CB 4.28Å; P427-Q493 HydrophobicContact CB-CG 4.03Å; N489-Q493 CarbonylContact O-C 3.55Å; N489-Q493 WeakPolarHBondContact O-CA 3.45Å; N489-Q493 PolarHBondContact O-N 3.03Å; W490-Q493 PolarHBondContact O-N 3.24Å |
| 494 | K | 83.9 | Confident | 72.4 | Confident | 68 Ų | 68 | 61.1 Ų | 61.1 | 30% | 0.296 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -90.6 | 143.7 | 175.7 | -70.7 | -171.1 | 175.9 | -170.6 | 0 | 110.3 | N489 C492 S496 D521 L524 | N489-K494 PolarHBondContact O-N 3.41Å; C492-K494 HydrophobicContact CB-CD 4.38Å; C492-K494 HydrophobicContact CB-CG 3.99Å; C492-K494 PolarHBondContact O-N 3.36Å; K494-S496 PolarHBondContact O-N 3.07Å; K494-D521 IonicContact NZ-OD2 2.72Å; K494-L524 HydrophobicContact CD-CD2 4.03Å |
| 495 | Q | 69.7 | Low | 70.1 | Confident | 191 Ų | 191 | 65.7 Ų | 65.7 | 89% | 0.893 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 128.6 | 171.8 | -72.5 | -174.9 | -14.2 | 0 | 0 | 109.8 | ||
| 496 | S | 63.3 | Low | 68 | Low | 33 Ų | 33 | 73.3 Ų | 73.3 | 23% | 0.231 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 130.5 | 172.3 | -62.2 | 0 | 0 | 0 | 0 | 109.1 | R486 N489 K494 | R486-S496 PolarHBondContact NH1-OG 2.94Å; N489-S496 PolarHBondContact ND2-OG 3.34Å; K494-S496 PolarHBondContact O-N 3.07Å |
| 497 | K | 60 | Low | 65.6 | Low | 130 Ų | 130 | 80 Ų | 80 | 57% | 0.565 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -73.2 | 135.1 | 169.6 | -67.7 | 179.1 | -179.4 | 175 | 0 | 108.6 | L499 | K497-L499 PolarHBondContact O-N 3.33Š|
| 498 | P | 55.1 | Low | 63.3 | Low | 94 Ų | 94 | 81.5 Ų | 81.5 | 61% | 0.61 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 139.4 | 175.2 | 21.3 | -29.8 | 0 | 0 | 0 | 110.8 | N500 | P498-N500 PolarHBondContact O-N 3.2Š|
| 499 | L | 52.5 | Low | 61 | Low | 58 Ų | 58 | 85.3 Ų | 85.3 | 30% | 0.304 | 44% | 0.444 | S | S | . | . | trans | -82.4 | 110.4 | -177.7 | -70.2 | 167.1 | 0 | 0 | 0 | 110.7 | L374 L482 K497 V501 | L374-L499 HydrophobicContact CB-CD1 4.29Å; L374-L499 HydrophobicContact CD2-CD1 4.42Å; L482-L499 HydrophobicContact CD1-CD1 4.34Å; L482-L499 HydrophobicContact CD1-CD2 4.14Å; L482-L499 HydrophobicContact CD2-CD2 3.46Å; L482-L499 VanDerWaalsContact CD2-CD2 3.46Å; L482-L499 HydrophobicContact CG-CD2 4.38Å; K497-L499 PolarHBondContact O-N 3.33Å; L499-V501 HydrophobicContact CB-CG2 4.23Å; L499-V501 PolarHBondContact O-N 2.86Å | ||
| 500 | N | 44.8 | Very low | 58.9 | Low | 145 Ų | 145 | 91.4 Ų | 91.4 | 78% | 0.775 | 47% | 0.473 | S | S | * | . | trans | -85.5 | 82.4 | 163.5 | -77.6 | -11.5 | 0 | 0 | 0 | 109.3 | P498 T502 | P498-N500 PolarHBondContact O-N 3.2Å; N500-T502 PolarHBondContact O-N 2.87Å | ||
| 501 | V | 44.1 | Very low | 56.7 | Low | 94 Ų | 94 | 97.1 Ų | 97.1 | 57% | 0.57 | 50% | 0.499 | S | S | * | . | trans | -74.6 | 105.4 | 172.6 | -176.1 | 0 | 0 | 0 | 0 | 108.4 | L499 | L499-V501 HydrophobicContact CB-CG2 4.23Å; L499-V501 PolarHBondContact O-N 2.86Å | ||
| 502 | T | 35.9 | Very low | 54.4 | Low | 93 Ų | 93 | 98.4 Ų | 98.4 | 57% | 0.571 | 51% | 0.505 | S | S | * | . | trans | -93.9 | 130.1 | 170.4 | 1.4 | 0 | 0 | 0 | 0 | 109 | N500 N504 | N500-T502 PolarHBondContact O-N 2.87Å; T502-N504 PolarHBondContact O-N 3.23Å | ||
| 503 | T | 39.5 | Very low | 52.3 | Low | 143 Ų | 143 | 102.8 Ų | 102.8 | 88% | 0.877 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -73.9 | 18.7 | -168.6 | 46.5 | 0 | 0 | 0 | 0 | 116 | ||
| 504 | N | 39.6 | Very low | 50.3 | Low | 107 Ų | 107 | 105.4 Ų | 105.4 | 57% | 0.572 | 54% | 0.541 | S | S | * | . | trans | -109.9 | 92.5 | -177.9 | -154.6 | -16.7 | 0 | 0 | 0 | 112.3 | T502 K506 F508 | T502-N504 PolarHBondContact O-N 3.23Å; N504-K506 PolarHBondContact O-N 2.77Å; N504-F508 VanDerWaalsContact O-CB 3.29Å; N504-F508 WeakPolarHBondContact O-CB 3.37Å; N504-F508 PolarHBondContact O-N 3.37Å; N504-F508 VanDerWaalsContact O-N 3.12Å | ||
| 505 | T | 47 | Very low | 48.5 | Very low | 97 Ų | 97 | 105.1 Ų | 105.1 | 60% | 0.595 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -57 | -34.5 | -166.5 | 37.8 | 0 | 0 | 0 | 0 | 116.2 | N509 | T505-N509 PolarHBondContact O-N 3.21Å |
| 506 | K | 46.9 | Very low | 47.4 | Very low | 176 Ų | 176 | 98 Ų | 98 | 77% | 0.765 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -78.2 | -48.5 | -177.7 | -80.1 | -173.8 | 177.1 | -179.3 | 0 | 113.7 | N504 F508 N509 | N504-K506 PolarHBondContact O-N 2.77Å; K506-F508 PolarHBondContact O-N 3.16Å; K506-N509 PolarHBondContact O-N 3.05Å |
| 507 | K | 43.5 | Very low | 46.7 | Very low | 156 Ų | 156 | 102 Ų | 102 | 68% | 0.678 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.6 | -31.3 | 175.3 | -97 | -175.3 | 174.3 | -178.9 | 0 | 111.5 | Q511 | K507-Q511 WeakPolarHBondContact O-CB 3.35Å; K507-Q511 PolarHBondContact O-N 2.94Å |
| 508 | F | 45.2 | Very low | 46.3 | Very low | 40 Ų | 40 | 101.1 Ų | 101.1 | 18% | 0.175 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -67.5 | -38.5 | 178.1 | -160 | -96.5 | 0 | 0 | 0 | 112.4 | N504 K506 E510 Q511 F512 | N504-F508 VanDerWaalsContact O-CB 3.29Å; N504-F508 WeakPolarHBondContact O-CB 3.37Å; N504-F508 PolarHBondContact O-N 3.37Å; N504-F508 VanDerWaalsContact O-N 3.12Å; K506-F508 PolarHBondContact O-N 3.16Å; F508-E510 PolarHBondContact O-N 2.97Å; F508-Q511 CarbonylContact O-C 3.57Å; F508-Q511 PolarHBondContact O-N 3.09Å; F508-F512 HydrophobicContact CD1-CB 4.2Å; F508-F512 HydrophobicContact CD1-CD2 4.18Å; F508-F512 HydrophobicContact CE1-CB 4.32Å; F508-F512 AromaticContact CE1-CD2 3.49Å; F508-F512 HydrophobicContact CE1-CD2 3.49Å; F508-F512 VanDerWaalsContact CE1-CD2 3.49Å; F508-F512 HydrophobicContact CE1-CE2 4.2Å; F508-F512 HydrophobicContact CE1-CG 4.28Å; F508-F512 HydrophobicContact CZ-CD2 4.13Å; F508-F512 WeakPolarHBondContact O-CA 3.42Å; F508-F512 WeakPolarHBondContact O-CB 3.46Å; F508-F512 PolarHBondContact O-N 3Å |
| 509 | N | 46.1 | Very low | 46 | Very low | 80 Ų | 80 | 100 Ų | 100 | 43% | 0.428 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.4 | -47.1 | 179.5 | -84.9 | -16.8 | 0 | 0 | 0 | 113.6 | Q478 T505 K506 F512 I513 | Q478-N509 PolarHBondContact NE2-OD1 3.4Å; T505-N509 PolarHBondContact O-N 3.21Å; K506-N509 PolarHBondContact O-N 3.05Å; N509-F512 PolarHBondContact O-N 3.07Å; N509-I513 WeakPolarHBondContact O-CG1 3.36Å; N509-I513 PolarHBondContact O-N 3.21Å |
| 510 | E | 48.5 | Very low | 46.1 | Very low | 141 Ų | 141 | 97.7 Ų | 97.7 | 66% | 0.659 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65 | -44.2 | 177 | -70.5 | 176.9 | 172.7 | 0 | 0 | 111.1 | F508 F512 I513 I514 | F508-E510 PolarHBondContact O-N 2.97Å; E510-F512 VanDerWaalsContact C-N 3.3Å; E510-F512 PolarHBondContact O-N 2.92Å; E510-I513 PolarHBondContact O-N 3.5Å; E510-I514 WeakPolarHBondContact O-CB 3.46Å; E510-I514 WeakPolarHBondContact O-CD1 3.23Å; E510-I514 VanDerWaalsContact O-CG1 3.26Å; E510-I514 WeakPolarHBondContact O-CG1 3.5Å; E510-I514 PolarHBondContact O-N 3.43Å; E510-I514 VanDerWaalsContact O-N 3.11Å |
| 511 | Q | 47.8 | Very low | 47.3 | Very low | 123 Ų | 123 | 96 Ų | 96 | 58% | 0.575 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -68.7 | -29.5 | 178.8 | -145.6 | 165.4 | 12.1 | 0 | 0 | 112.1 | K507 F508 C515 | K507-Q511 WeakPolarHBondContact O-CB 3.35Å; K507-Q511 PolarHBondContact O-N 2.94Å; F508-Q511 CarbonylContact O-C 3.57Å; F508-Q511 PolarHBondContact O-N 3.09Å; Q511-C515 WeakPolarHBondContact O-CB 3.37Å; Q511-C515 PolarHBondContact O-N 3.17Å; Q511-C515 PolarHBondContact O-SG 2.88Å |
| 512 | F | 45.4 | Very low | 48.9 | Very low | 27 Ų | 27 | 96.9 Ų | 96.9 | 12% | 0.118 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -74.9 | -42.3 | 177.8 | -171 | -86.8 | 0 | 0 | 0 | 111.3 | H481 L482 F508 N509 E510 C515 Y516 | H481-F512 HydrophobicContact CB-CE1 4.12Å; H481-F512 HydrophobicContact CB-CZ 3.89Å; H481-F512 AromaticContact ND1-CE1 3.69Å; L482-F512 HydrophobicContact CD2-CE2 4.16Å; F508-F512 HydrophobicContact CD1-CB 4.2Å; F508-F512 HydrophobicContact CD1-CD2 4.18Å; F508-F512 HydrophobicContact CE1-CB 4.32Å; F508-F512 AromaticContact CE1-CD2 3.49Å; F508-F512 HydrophobicContact CE1-CD2 3.49Å; F508-F512 VanDerWaalsContact CE1-CD2 3.49Å; F508-F512 HydrophobicContact CE1-CE2 4.2Å; F508-F512 HydrophobicContact CE1-CG 4.28Å; F508-F512 HydrophobicContact CZ-CD2 4.13Å; F508-F512 WeakPolarHBondContact O-CA 3.42Å; F508-F512 WeakPolarHBondContact O-CB 3.46Å; F508-F512 PolarHBondContact O-N 3Å; N509-F512 PolarHBondContact O-N 3.07Å; E510-F512 VanDerWaalsContact C-N 3.3Å; E510-F512 PolarHBondContact O-N 2.92Å; F512-C515 PolarHBondContact O-N 2.88Å; F512-Y516 WeakPolarHBondContact O-CA 3.49Å; F512-Y516 WeakPolarHBondContact O-CB 3.43Å; F512-Y516 PolarHBondContact O-N 2.85Å |
| 513 | I | 49.2 | Very low | 51.1 | Low | 102 Ų | 102 | 93.6 Ų | 93.6 | 52% | 0.523 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.8 | -44 | 174.7 | -66.8 | 167.8 | 0 | 0 | 0 | 110.4 | N509 E510 Y516 H517 | N509-I513 WeakPolarHBondContact O-CG1 3.36Å; N509-I513 PolarHBondContact O-N 3.21Å; E510-I513 PolarHBondContact O-N 3.5Å; I513-Y516 PolarHBondContact O-N 2.93Å; I513-H517 PolarHBondContact O-CD2 3.22Å; I513-H517 PolarHBondContact O-N 3.45Å; I513-H517 VanDerWaalsContact O-N 3.15Å |
| 514 | I | 47.6 | Very low | 53.1 | Low | 115 Ų | 115 | 87.1 Ų | 87.1 | 59% | 0.59 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -66.8 | -43.8 | 177.2 | -65.1 | 167.5 | 0 | 0 | 0 | 111.1 | E510 Y516 T518 | E510-I514 WeakPolarHBondContact O-CB 3.46Å; E510-I514 WeakPolarHBondContact O-CD1 3.23Å; E510-I514 VanDerWaalsContact O-CG1 3.26Å; E510-I514 WeakPolarHBondContact O-CG1 3.5Å; E510-I514 PolarHBondContact O-N 3.43Å; E510-I514 VanDerWaalsContact O-N 3.11Å; I514-Y516 VanDerWaalsContact C-N 3.34Å; I514-T518 WeakPolarHBondContact O-CG2 3.44Å; I514-T518 PolarHBondContact O-N 3.26Å; I514-T518 PolarHBondContact O-OG1 3.43Å |
| 515 | C | 47 | Very low | 55.2 | Low | 62 Ų | 62 | 83.2 Ų | 83.2 | 42% | 0.419 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.5 | -39.6 | 172.1 | -90 | 0 | 0 | 0 | 0 | 111.4 | Q511 F512 T518 R519 | Q511-C515 WeakPolarHBondContact O-CB 3.37Å; Q511-C515 PolarHBondContact O-N 3.17Å; Q511-C515 PolarHBondContact O-SG 2.88Å; F512-C515 PolarHBondContact O-N 2.88Å; C515-T518 WeakPolarHBondContact CA-OG1 3.32Å; C515-T518 CarbonylContact O-C 3.53Å; C515-T518 PolarHBondContact O-N 2.86Å; C515-T518 PolarHBondContact O-OG1 2.96Å; C515-T518 VanDerWaalsContact O-OG1 3.08Å; C515-R519 WeakPolarHBondContact O-CA 3.19Å; C515-R519 WeakPolarHBondContact O-CB 3.43Å; C515-R519 PolarHBondContact O-N 3.45Å |
| 516 | Y | 46.3 | Very low | 57.1 | Low | 41 Ų | 41 | 79.4 Ų | 79.4 | 16% | 0.161 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.6 | -49.1 | -177.9 | 178.6 | -90.1 | 0 | 0 | 0 | 111.4 | F512 I513 I514 T518 R519 F520 F528 | F512-Y516 WeakPolarHBondContact O-CA 3.49Å; F512-Y516 WeakPolarHBondContact O-CB 3.43Å; F512-Y516 PolarHBondContact O-N 2.85Å; I513-Y516 PolarHBondContact O-N 2.93Å; I514-Y516 VanDerWaalsContact C-N 3.34Å; Y516-T518 VanDerWaalsContact C-N 3.25Å; Y516-T518 PolarHBondContact O-N 2.99Å; Y516-R519 PolarHBondContact O-N 3.03Å; Y516-F520 AromaticContact CD2-CD2 3.8Å; Y516-F520 HydrophobicContact CD2-CD2 3.8Å; Y516-F520 AromaticContact CD2-CE2 3.57Å; Y516-F520 HydrophobicContact CD2-CE2 3.57Å; Y516-F520 AromaticContact CE2-CD2 3.73Å; Y516-F520 HydrophobicContact CE2-CD2 3.73Å; Y516-F520 AromaticContact CE2-CE2 3.48Å; Y516-F520 HydrophobicContact CE2-CE2 3.48Å; Y516-F520 VanDerWaalsContact CE2-CE2 3.48Å; Y516-F520 HydrophobicContact CG-CD2 4.26Å; Y516-F520 HydrophobicContact CG-CE2 4.43Å; Y516-F520 WeakPolarHBondContact O-CD2 3.3Å; Y516-F520 PolarHBondContact O-N 2.74Å; Y516-F528 HydrophobicContact CE2-CD1 4.44Å; Y516-F528 HydrophobicContact CE2-CD2 4.02Å; Y516-F528 HydrophobicContact CE2-CE1 4.26Å; Y516-F528 AromaticContact CE2-CE2 3.83Å; Y516-F528 HydrophobicContact CE2-CE2 3.83Å; Y516-F528 HydrophobicContact CE2-CG 4.33Å; Y516-F528 AromaticContact CE2-CZ 3.95Å; Y516-F528 HydrophobicContact CE2-CZ 3.95Å; Y516-F528 WeakPolarHBondContact OH-CD1 3.19Å; Y516-F528 WeakPolarHBondContact OH-CE1 3.23Å; Y516-F528 WeakPolarHBondContact OH-CG 3.46Å |
| 517 | H | 49.1 | Very low | 59.2 | Low | 117 Ų | 117 | 71 Ų | 71 | 54% | 0.542 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.5 | -27.7 | 176.5 | -75.9 | -61.8 | 0 | 0 | 0 | 113.4 | I513 | I513-H517 PolarHBondContact O-CD2 3.22Å; I513-H517 PolarHBondContact O-N 3.45Å; I513-H517 VanDerWaalsContact O-N 3.15Å |
| 518 | T | 50.6 | Low | 61.4 | Low | 113 Ų | 113 | 64 Ų | 64 | 69% | 0.693 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -92.9 | -15.4 | 178.2 | 53 | 0 | 0 | 0 | 0 | 114 | I514 C515 Y516 | I514-T518 WeakPolarHBondContact O-CG2 3.44Å; I514-T518 PolarHBondContact O-N 3.26Å; I514-T518 PolarHBondContact O-OG1 3.43Å; C515-T518 WeakPolarHBondContact CA-OG1 3.32Å; C515-T518 CarbonylContact O-C 3.53Å; C515-T518 PolarHBondContact O-N 2.86Å; C515-T518 PolarHBondContact O-OG1 2.96Å; C515-T518 VanDerWaalsContact O-OG1 3.08Å; Y516-T518 VanDerWaalsContact C-N 3.25Å; Y516-T518 PolarHBondContact O-N 2.99Å |
| 519 | R | 49.7 | Very low | 63.5 | Low | 70 Ų | 70 | 68.4 Ų | 68.4 | 26% | 0.264 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -90.7 | -19.8 | -174.5 | -176.6 | 174.2 | 179.7 | 161.6 | -0.5 | 113 | E485 C515 Y516 | E485-R519 VanDerWaalsContact CD-NH2 3.34Å; E485-R519 IonicContact OE1-CZ 3.46Å; E485-R519 IonicContact OE1-NE 2.78Å; E485-R519 PolarHBondContact OE1-NE 3.43Å; E485-R519 IonicContact OE1-NH2 3.55Å; E485-R519 PolarHBondContact OE1-NH2 2.99Å; E485-R519 IonicContact OE2-CZ 2.88Å; E485-R519 VanDerWaalsContact OE2-CZ 3.25Å; E485-R519 IonicContact OE2-NE 3.25Å; E485-R519 PolarHBondContact OE2-NE 3.44Å; E485-R519 IonicContact OE2-NH1 3.93Å; E485-R519 IonicContact OE2-NH2 3.27Å; E485-R519 PolarHBondContact OE2-NH2 3.3Å; C515-R519 WeakPolarHBondContact O-CA 3.19Å; C515-R519 WeakPolarHBondContact O-CB 3.43Å; C515-R519 PolarHBondContact O-N 3.45Å; Y516-R519 PolarHBondContact O-N 3.03Å |
| 520 | F | 55.1 | Low | 65.7 | Low | 9 Ų | 9 | 64.6 Ų | 64.6 | 4% | 0.039 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -118.7 | 123 | -179.2 | -67.5 | -65 | 0 | 0 | 0 | 111.8 | E485 Y516 L524 Q525 | E485-F520 HydrophobicContact CB-CZ 3.91Å; E485-F520 HydrophobicContact CG-CE1 4.04Å; E485-F520 HydrophobicContact CG-CZ 3.62Å; Y516-F520 AromaticContact CD2-CD2 3.8Å; Y516-F520 HydrophobicContact CD2-CD2 3.8Å; Y516-F520 AromaticContact CD2-CE2 3.57Å; Y516-F520 HydrophobicContact CD2-CE2 3.57Å; Y516-F520 AromaticContact CE2-CD2 3.73Å; Y516-F520 HydrophobicContact CE2-CD2 3.73Å; Y516-F520 AromaticContact CE2-CE2 3.48Å; Y516-F520 HydrophobicContact CE2-CE2 3.48Å; Y516-F520 VanDerWaalsContact CE2-CE2 3.48Å; Y516-F520 HydrophobicContact CG-CD2 4.26Å; Y516-F520 HydrophobicContact CG-CE2 4.43Å; Y516-F520 WeakPolarHBondContact O-CD2 3.3Å; Y516-F520 PolarHBondContact O-N 2.74Å; F520-L524 HydrophobicContact CB-CB 4.24Å; F520-L524 HydrophobicContact CD1-CB 3.78Å; F520-L524 HydrophobicContact CD1-CD2 3.37Å; F520-L524 HydrophobicContact CD1-CG 3.35Å; F520-L524 HydrophobicContact CE1-CD2 3.69Å; F520-L524 HydrophobicContact CE1-CG 3.76Å; F520-L524 HydrophobicContact CG-CB 4.45Å; F520-L524 HydrophobicContact CG-CG 4.41Å; F520-Q525 HydrophobicContact CB-CG 3.62Å; F520-Q525 PolarHBondContact O-NE2 3.13Å |
| 521 | D | 69.9 | Low | 67.7 | Low | 109 Ų | 109 | 57.9 Ų | 57.9 | 58% | 0.583 | 29% | 0.287 | S | S | * | . | trans | -56.4 | 153.2 | 161.3 | -51.5 | -45.1 | 0 | 0 | 0 | 109.6 | K494 L523 L524 Q525 | K494-D521 IonicContact NZ-OD2 2.72Å; D521-L523 PolarHBondContact O-N 3.38Å; D521-L524 PolarHBondContact O-N 2.95Å; D521-Q525 PolarHBondContact O-N 3.26Å | ||
| 522 | D | 76.2 | Confident | 69.8 | Low | 113 Ų | 113 | 54.5 Ų | 54.5 | 60% | 0.604 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -48.4 | -38 | -176.7 | -67 | -24.1 | 0 | 0 | 0 | 113.4 | L524 Q525 L526 | D522-L524 PolarHBondContact O-N 3.16Å; D522-Q525 WeakPolarHBondContact O-CB 3.43Å; D522-Q525 PolarHBondContact O-N 2.72Å; D522-L526 PolarHBondContact O-N 2.87Å; D522-L526 VanDerWaalsContact O-N 3.08Å |
| 523 | L | 82.5 | Confident | 72 | Confident | 25 Ų | 25 | 56 Ų | 56 | 13% | 0.131 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.9 | -35.7 | 177.7 | -63 | 176.5 | 0 | 0 | 0 | 113.7 | M431 L434 L435 Q438 D521 L526 A527 | M431-L523 HydrophobicContact CB-CD1 4.33Å; M431-L523 HydrophobicContact SD-CD1 4.44Å; L434-L523 HydrophobicContact CB-CB 4.22Å; L434-L523 HydrophobicContact CB-CD2 4.06Å; L434-L523 HydrophobicContact CD1-CB 4.35Å; L435-L523 HydrophobicContact CB-CD2 4.43Å; L435-L523 HydrophobicContact CD1-CD1 4.22Å; L435-L523 HydrophobicContact CD2-CD1 3.86Å; L435-L523 HydrophobicContact CD2-CD2 3.73Å; L435-L523 HydrophobicContact CD2-CG 4.26Å; L435-L523 HydrophobicContact CG-CD1 3.63Å; L435-L523 HydrophobicContact CG-CD2 3.82Å; L435-L523 HydrophobicContact CG-CG 4.34Å; Q438-L523 HydrophobicContact CB-CD2 4.47Å; Q438-L523 VanDerWaalsContact OE1-CD2 3.28Å; D521-L523 PolarHBondContact O-N 3.38Å; L523-L526 WeakPolarHBondContact O-CB 3.44Å; L523-L526 PolarHBondContact O-N 3.23Å; L523-A527 PolarHBondContact O-N 3.16Å |
| 524 | L | 81.2 | Confident | 74 | Confident | 6 Ų | 6 | 51.2 Ų | 51.2 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -79.1 | -27.9 | -179.3 | -160.2 | 53.6 | 0 | 0 | 0 | 110.7 | L488 K494 F520 D521 D522 L526 A527 F528 | L488-L524 HydrophobicContact CB-CD1 4.09Å; L488-L524 HydrophobicContact CD1-CD1 4.16Å; K494-L524 HydrophobicContact CD-CD2 4.03Å; F520-L524 HydrophobicContact CB-CB 4.24Å; F520-L524 HydrophobicContact CD1-CB 3.78Å; F520-L524 HydrophobicContact CD1-CD2 3.37Å; F520-L524 HydrophobicContact CD1-CG 3.35Å; F520-L524 HydrophobicContact CE1-CD2 3.69Å; F520-L524 HydrophobicContact CE1-CG 3.76Å; F520-L524 HydrophobicContact CG-CB 4.45Å; F520-L524 HydrophobicContact CG-CG 4.41Å; D521-L524 PolarHBondContact O-N 2.95Å; D522-L524 PolarHBondContact O-N 3.16Å; L524-L526 VanDerWaalsContact C-N 3.35Å; L524-A527 HydrophobicContact CD1-CB 4.26Å; L524-A527 PolarHBondContact O-N 3.2Å; L524-F528 WeakPolarHBondContact O-CB 3.38Å; L524-F528 PolarHBondContact O-N 3.06Å |
| 525 | Q | 84.4 | Confident | 76 | Confident | 26 Ų | 26 | 45.9 Ų | 45.9 | 12% | 0.121 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.8 | -40.4 | 166.6 | -61.3 | -176.8 | 18.4 | 0 | 0 | 111.4 | F520 D521 D522 F528 R529 | F520-Q525 HydrophobicContact CB-CG 3.62Å; F520-Q525 PolarHBondContact O-NE2 3.13Å; D521-Q525 PolarHBondContact O-N 3.26Å; D522-Q525 WeakPolarHBondContact O-CB 3.43Å; D522-Q525 PolarHBondContact O-N 2.72Å; Q525-F528 WeakPolarHBondContact O-CB 3.41Å; Q525-F528 PolarHBondContact O-N 3.4Å; Q525-R529 WeakPolarHBondContact O-CG 3.33Å; Q525-R529 PolarHBondContact O-N 2.89Å |
| 526 | L | 87.1 | Confident | 78.1 | Confident | 16 Ų | 16 | 48.8 Ų | 48.8 | 8% | 0.084 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60 | -49.3 | 173.6 | 178.6 | 62.5 | 0 | 0 | 0 | 111.4 | L434 L437 Q438 F443 D522 L523 L524 F528 R529 I530 | L434-L526 WeakPolarHBondContact O-CD2 3.31Å; L437-L526 HydrophobicContact CB-CD2 4.25Å; L437-L526 HydrophobicContact CD2-CD2 4.15Å; L437-L526 HydrophobicContact CD2-CG 4.39Å; L437-L526 HydrophobicContact CG-CD2 4.23Å; Q438-L526 HydrophobicContact CB-CD2 3.92Å; F443-L526 HydrophobicContact CD1-CD1 3.8Å; F443-L526 HydrophobicContact CE1-CD1 3.16Å; F443-L526 HydrophobicContact CE2-CD1 4.19Å; F443-L526 HydrophobicContact CZ-CD1 3.39Å; D522-L526 PolarHBondContact O-N 2.87Å; D522-L526 VanDerWaalsContact O-N 3.08Å; L523-L526 WeakPolarHBondContact O-CB 3.44Å; L523-L526 PolarHBondContact O-N 3.23Å; L524-L526 VanDerWaalsContact C-N 3.35Å; L526-F528 VanDerWaalsContact C-N 3.26Å; L526-F528 PolarHBondContact O-N 3.33Å; L526-R529 PolarHBondContact O-N 3.15Å; L526-I530 HydrophobicContact CG-CD1 4.35Å; L526-I530 WeakPolarHBondContact O-CG1 3.17Å; L526-I530 PolarHBondContact O-N 2.94Å; L526-I530 VanDerWaalsContact O-N 3.11Å |
| 527 | A | 90.3 | Very high | 80 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.1 | -37.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L429 L434 L488 L523 L524 I530 M531 | L429-A527 HydrophobicContact CD2-CB 3.85Å; L434-A527 HydrophobicContact CD1-CB 4.11Å; L434-A527 HydrophobicContact CD2-CB 3.84Å; L488-A527 HydrophobicContact CD1-CB 4.14Å; L488-A527 HydrophobicContact CD2-CB 3.72Å; L523-A527 PolarHBondContact O-N 3.16Å; L524-A527 HydrophobicContact CD1-CB 4.26Å; L524-A527 PolarHBondContact O-N 3.2Å; A527-I530 PolarHBondContact O-N 2.96Å; A527-M531 PolarHBondContact O-N 3.16Å |
| 528 | F | 91.1 | Very high | 81.6 | Confident | 9 Ų | 9 | 43.4 Ų | 43.4 | 4% | 0.039 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.4 | -47.4 | 174.8 | -171.9 | -77.8 | 0 | 0 | 0 | 112.3 | H481 I484 L488 Y516 L524 Q525 L526 I530 M531 H532 | H481-F528 HydrophobicContact CB-CE2 4.29Å; H481-F528 HydrophobicContact CB-CZ 4.01Å; H481-F528 AromaticContact CD2-CZ 3.5Å; H481-F528 VanDerWaalsContact CD2-CZ 3.5Å; H481-F528 WeakPolarHBondContact CD2-CZ 3.43Å; H481-F528 AromaticContact CG-CZ 3.7Å; H481-F528 AromaticContact NE2-CZ 3.97Å; I484-F528 HydrophobicContact CB-CD2 4.03Å; I484-F528 HydrophobicContact CB-CE2 3.68Å; I484-F528 HydrophobicContact CB-CZ 4.27Å; I484-F528 HydrophobicContact CD1-CE1 4.28Å; I484-F528 HydrophobicContact CD1-CE2 4.18Å; I484-F528 HydrophobicContact CD1-CZ 3.9Å; I484-F528 HydrophobicContact CG2-CB 4.49Å; I484-F528 HydrophobicContact CG2-CD2 3.33Å; I484-F528 HydrophobicContact CG2-CE2 3.53Å; I484-F528 HydrophobicContact CG2-CG 3.9Å; I484-F528 HydrophobicContact CG2-CZ 4.25Å; L488-F528 HydrophobicContact CD1-CB 3.96Å; L488-F528 HydrophobicContact CD1-CD2 4.32Å; Y516-F528 HydrophobicContact CE2-CD1 4.44Å; Y516-F528 HydrophobicContact CE2-CD2 4.02Å; Y516-F528 HydrophobicContact CE2-CE1 4.26Å; Y516-F528 AromaticContact CE2-CE2 3.83Å; Y516-F528 HydrophobicContact CE2-CE2 3.83Å; Y516-F528 HydrophobicContact CE2-CG 4.33Å; Y516-F528 AromaticContact CE2-CZ 3.95Å; Y516-F528 HydrophobicContact CE2-CZ 3.95Å; Y516-F528 WeakPolarHBondContact OH-CD1 3.19Å; Y516-F528 WeakPolarHBondContact OH-CE1 3.23Å; Y516-F528 WeakPolarHBondContact OH-CG 3.46Å; L524-F528 WeakPolarHBondContact O-CB 3.38Å; L524-F528 PolarHBondContact O-N 3.06Å; Q525-F528 WeakPolarHBondContact O-CB 3.41Å; Q525-F528 PolarHBondContact O-N 3.4Å; L526-F528 VanDerWaalsContact C-N 3.26Å; L526-F528 PolarHBondContact O-N 3.33Å; F528-I530 VanDerWaalsContact C-N 3.25Å; F528-I530 PolarHBondContact O-N 2.89Å; F528-M531 PolarHBondContact O-N 3.44Å; F528-H532 HydrophobicContact CE1-CB 4.47Å; F528-H532 WeakPolarHBondContact O-CB 3.38Å; F528-H532 PolarHBondContact O-N 3.05Å |
| 529 | R | 89.3 | Confident | 83.2 | Confident | 133 Ų | 133 | 44.6 Ų | 44.6 | 50% | 0.502 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -57.5 | -41.1 | 176.4 | -69.1 | 178.4 | -166.3 | -173.2 | 6.1 | 111.4 | Q525 L526 F533 | Q525-R529 WeakPolarHBondContact O-CG 3.33Å; Q525-R529 PolarHBondContact O-N 2.89Å; L526-R529 PolarHBondContact O-N 3.15Å; R529-F533 WeakPolarHBondContact O-CB 3.19Å; R529-F533 PolarHBondContact O-N 3.08Å |
| 530 | I | 90.5 | Very high | 84.6 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.4 | -48.8 | 176.7 | -62.6 | 164.4 | 0 | 0 | 0 | 111 | L437 F443 L451 F454 M462 L526 A527 F528 H532 F533 L534 | L437-I530 HydrophobicContact CD2-CD1 3.34Å; L437-I530 HydrophobicContact CD2-CG1 4.44Å; F443-I530 HydrophobicContact CE2-CD1 4.16Å; F443-I530 HydrophobicContact CE2-CG1 3.9Å; F443-I530 HydrophobicContact CZ-CD1 4.24Å; F443-I530 HydrophobicContact CZ-CG1 3.71Å; L451-I530 HydrophobicContact CD2-CD1 4.4Å; L451-I530 HydrophobicContact CD2-CG1 4.49Å; L451-I530 HydrophobicContact CD2-CG2 3.59Å; F454-I530 HydrophobicContact CE2-CD1 4.1Å; F454-I530 HydrophobicContact CZ-CD1 4.29Å; M462-I530 HydrophobicContact CE-CB 4.13Å; M462-I530 HydrophobicContact CE-CG2 3.49Å; M462-I530 VanDerWaalsContact CE-CG2 3.49Å; L526-I530 HydrophobicContact CG-CD1 4.35Å; L526-I530 WeakPolarHBondContact O-CG1 3.17Å; L526-I530 PolarHBondContact O-N 2.94Å; L526-I530 VanDerWaalsContact O-N 3.11Å; A527-I530 PolarHBondContact O-N 2.96Å; F528-I530 VanDerWaalsContact C-N 3.25Å; F528-I530 PolarHBondContact O-N 2.89Å; I530-H532 PolarHBondContact O-N 3.47Å; I530-F533 WeakPolarHBondContact O-CB 3.43Å; I530-F533 PolarHBondContact O-N 3.32Å; I530-L534 HydrophobicContact CG2-CD1 4.1Å; I530-L534 HydrophobicContact CG2-CG 4.38Å; I530-L534 WeakPolarHBondContact O-CG 3.45Å; I530-L534 PolarHBondContact O-N 3.16Å |
| 531 | M | 92.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61 | -44.3 | 179 | -79.8 | -59.6 | -57.5 | 0 | 0 | 112.1 | M462 F465 A466 I484 V487 L488 A527 F528 L534 I535 | M462-M531 HydrophobicContact CB-SD 3.79Å; M462-M531 HydrophobicContact CE-CG 3.88Å; M462-M531 HydrophobicContact CE-SD 3.64Å; M462-M531 HydrophobicContact CG-SD 4.02Å; F465-M531 HydrophobicContact CB-CE 4.27Å; A466-M531 HydrophobicContact CB-CE 4.16Å; I484-M531 HydrophobicContact CG2-CB 3.65Å; I484-M531 HydrophobicContact CG2-CG 4.28Å; V487-M531 HydrophobicContact CG1-CE 3.94Å; L488-M531 HydrophobicContact CD2-CG 3.75Å; L488-M531 HydrophobicContact CG-CG 4.26Å; A527-M531 PolarHBondContact O-N 3.16Å; F528-M531 PolarHBondContact O-N 3.44Å; M531-L534 PolarHBondContact O-N 2.99Å; M531-L534 HydrophobicContact SD-CD1 4.39Å; M531-I535 WeakPolarHBondContact O-CG1 3.3Å; M531-I535 PolarHBondContact O-N 2.78Å |
| 532 | H | 91.5 | Very high | 84.5 | Confident | 52 Ų | 52 | 49.1 Ų | 49.1 | 24% | 0.241 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.5 | -40.8 | 176.4 | -178.6 | -116.7 | 0 | 0 | 0 | 112 | E480 I484 F528 I530 I535 K536 | E480-H532 IonicContact OE1-CD2 3.28Å; E480-H532 PolarHBondContact OE1-CD2 3.38Å; E480-H532 VanDerWaalsContact OE1-CD2 3.28Å; E480-H532 IonicContact OE1-NE2 3.79Å; I484-H532 HydrophobicContact CD1-CB 4.1Å; F528-H532 HydrophobicContact CE1-CB 4.47Å; F528-H532 WeakPolarHBondContact O-CB 3.38Å; F528-H532 PolarHBondContact O-N 3.05Å; I530-H532 PolarHBondContact O-N 3.47Å; H532-I535 PolarHBondContact O-N 2.94Å; H532-K536 WeakPolarHBondContact CE1-CE 3.48Å; H532-K536 PolarHBondContact CE1-NZ 3.13Å; H532-K536 WeakPolarHBondContact NE2-CE 3.43Å; H532-K536 WeakPolarHBondContact O-CG 3.09Å; H532-K536 PolarHBondContact O-N 3.15Å; H532-K536 VanDerWaalsContact O-N 3.08Å |
| 533 | F | 90.5 | Very high | 82.8 | Confident | 58 Ų | 58 | 49.5 Ų | 49.5 | 25% | 0.254 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.5 | -47.3 | 171.1 | 171.3 | -94.6 | 0 | 0 | 0 | 111.7 | I447 L448 R529 I530 I535 K536 F537 | I447-F533 HydrophobicContact CB-CD1 4.17Å; I447-F533 HydrophobicContact CB-CD2 4.48Å; I447-F533 HydrophobicContact CB-CE1 4.03Å; I447-F533 HydrophobicContact CB-CE2 4.34Å; I447-F533 HydrophobicContact CB-CG 4.39Å; I447-F533 HydrophobicContact CB-CZ 4.12Å; I447-F533 HydrophobicContact CD1-CB 4.21Å; I447-F533 HydrophobicContact CD1-CD1 4.47Å; I447-F533 HydrophobicContact CD1-CD2 3.63Å; I447-F533 HydrophobicContact CD1-CE2 4.09Å; I447-F533 HydrophobicContact CD1-CG 3.84Å; I447-F533 HydrophobicContact CG2-CD1 3.54Å; I447-F533 HydrophobicContact CG2-CE1 3.76Å; I447-F533 HydrophobicContact CG2-CG 3.96Å; I447-F533 HydrophobicContact CG2-CZ 4.35Å; L448-F533 HydrophobicContact CD2-CE1 3.73Å; L448-F533 HydrophobicContact CD2-CZ 4.24Å; L448-F533 HydrophobicContact CG-CE1 3.88Å; L448-F533 HydrophobicContact CG-CZ 3.93Å; R529-F533 WeakPolarHBondContact O-CB 3.19Å; R529-F533 PolarHBondContact O-N 3.08Å; I530-F533 WeakPolarHBondContact O-CB 3.43Å; I530-F533 PolarHBondContact O-N 3.32Å; F533-I535 VanDerWaalsContact C-N 3.33Å; F533-I535 PolarHBondContact O-N 2.73Å; F533-K536 PolarHBondContact O-N 3.22Å; F533-F537 HydrophobicContact CE1-CB 4.33Å; F533-F537 HydrophobicContact CZ-CB 4.48Å; F533-F537 HydrophobicContact CZ-CD2 4.35Å; F533-F537 VanDerWaalsContact O-CB 3.3Å; F533-F537 WeakPolarHBondContact O-CB 3.47Å; F533-F537 PolarHBondContact O-N 3.32Å |
| 534 | L | 90.9 | Very high | 80.6 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61 | -40.3 | 178.5 | -72.5 | 174 | 0 | 0 | 0 | 111.9 | L451 M462 A466 I530 M531 F537 V538 W551 | L451-L534 HydrophobicContact CD1-CD2 3.97Å; M462-L534 HydrophobicContact CB-CD1 3.69Å; M462-L534 HydrophobicContact CE-CD1 4.23Å; A466-L534 HydrophobicContact CB-CB 3.76Å; I530-L534 HydrophobicContact CG2-CD1 4.1Å; I530-L534 HydrophobicContact CG2-CG 4.38Å; I530-L534 WeakPolarHBondContact O-CG 3.45Å; I530-L534 PolarHBondContact O-N 3.16Å; M531-L534 PolarHBondContact O-N 2.99Å; M531-L534 HydrophobicContact SD-CD1 4.39Å; L534-F537 PolarHBondContact O-N 2.95Å; L534-V538 WeakPolarHBondContact O-CB 3.42Å; L534-V538 WeakPolarHBondContact O-CG2 3.39Å; L534-V538 PolarHBondContact O-N 2.99Å; L534-W551 HydrophobicContact CD2-CH2 4.14Å; L534-W551 HydrophobicContact CD2-CZ3 3.89Å |
| 535 | I | 91.4 | Very high | 78.8 | Confident | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.7 | -49.7 | 175.4 | -69.1 | 160.7 | 0 | 0 | 0 | 110.3 | A466 I469 I484 M531 H532 F533 F537 V538 K539 | A466-I535 HydrophobicContact CB-CG1 3.78Å; I469-I535 HydrophobicContact CB-CD1 4.19Å; I469-I535 HydrophobicContact CB-CG1 4.34Å; I469-I535 HydrophobicContact CD1-CD1 3.96Å; I469-I535 HydrophobicContact CG2-CD1 3.8Å; I469-I535 HydrophobicContact CG2-CG1 4.28Å; I484-I535 HydrophobicContact CD1-CD1 3.7Å; I484-I535 HydrophobicContact CG1-CD1 3.64Å; M531-I535 WeakPolarHBondContact O-CG1 3.3Å; M531-I535 PolarHBondContact O-N 2.78Å; H532-I535 PolarHBondContact O-N 2.94Å; F533-I535 VanDerWaalsContact C-N 3.33Å; F533-I535 PolarHBondContact O-N 2.73Å; I535-F537 VanDerWaalsContact C-N 3.34Å; I535-F537 PolarHBondContact O-N 3.18Å; I535-V538 PolarHBondContact O-N 3.08Å; I535-K539 WeakPolarHBondContact O-CB 3.37Å; I535-K539 PolarHBondContact O-N 2.91Å |
| 536 | K | 89.6 | Confident | 76.9 | Confident | 122 Ų | 122 | 60.4 Ų | 60.4 | 53% | 0.53 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 176.7 | -72.7 | -178 | 175.2 | -178.7 | 0 | 112.2 | H532 F533 K539 S540 | H532-K536 WeakPolarHBondContact CE1-CE 3.48Å; H532-K536 PolarHBondContact CE1-NZ 3.13Å; H532-K536 WeakPolarHBondContact NE2-CE 3.43Å; H532-K536 WeakPolarHBondContact O-CG 3.09Å; H532-K536 PolarHBondContact O-N 3.15Å; H532-K536 VanDerWaalsContact O-N 3.08Å; F533-K536 PolarHBondContact O-N 3.22Å; K536-K539 PolarHBondContact O-N 3.1Å; K536-S540 PolarHBondContact O-N 3.38Å |
| 537 | F | 86.2 | Confident | 74.8 | Confident | 45 Ų | 45 | 60.8 Ų | 60.8 | 20% | 0.197 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64 | -48.2 | 178.9 | -178.2 | -95 | 0 | 0 | 0 | 111.5 | L448 F533 L534 I535 K539 S540 K541 W551 | L448-F537 HydrophobicContact CD1-CD2 4.27Å; L448-F537 HydrophobicContact CD1-CE2 3.66Å; L448-F537 HydrophobicContact CD1-CZ 3.96Å; L448-F537 HydrophobicContact CD2-CZ 4.44Å; F533-F537 HydrophobicContact CE1-CB 4.33Å; F533-F537 HydrophobicContact CZ-CB 4.48Å; F533-F537 HydrophobicContact CZ-CD2 4.35Å; F533-F537 VanDerWaalsContact O-CB 3.3Å; F533-F537 WeakPolarHBondContact O-CB 3.47Å; F533-F537 PolarHBondContact O-N 3.32Å; L534-F537 PolarHBondContact O-N 2.95Å; I535-F537 VanDerWaalsContact C-N 3.34Å; I535-F537 PolarHBondContact O-N 3.18Å; F537-K539 VanDerWaalsContact C-N 3.32Å; F537-K539 PolarHBondContact O-N 3.19Å; F537-S540 PolarHBondContact O-N 2.98Å; F537-S540 VanDerWaalsContact O-N 3.1Å; F537-S540 PolarHBondContact O-OG 3.21Å; F537-K541 HydrophobicContact CD1-CG 4.45Å; F537-K541 HydrophobicContact CE1-CG 4.06Å; F537-K541 HydrophobicContact CE2-CG 4.16Å; F537-K541 HydrophobicContact CZ-CD 4.49Å; F537-K541 HydrophobicContact CZ-CG 3.92Å; F537-K541 PolarHBondContact O-N 3.07Å; F537-K541 VanDerWaalsContact O-N 3.12Å; F537-W551 AromaticContact CD1-CH2 3.42Å; F537-W551 HydrophobicContact CD1-CH2 3.42Å; F537-W551 VanDerWaalsContact CD1-CH2 3.42Å; F537-W551 HydrophobicContact CD1-CZ2 4.11Å; F537-W551 AromaticContact CD1-CZ3 3.69Å; F537-W551 HydrophobicContact CD1-CZ3 3.69Å; F537-W551 HydrophobicContact CE1-CE3 4.15Å; F537-W551 AromaticContact CE1-CH2 3.72Å; F537-W551 HydrophobicContact CE1-CH2 3.72Å; F537-W551 HydrophobicContact CE1-CZ2 4.2Å; F537-W551 AromaticContact CE1-CZ3 3.67Å; F537-W551 HydrophobicContact CE1-CZ3 3.67Å |
| 538 | V | 84 | Confident | 72.8 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -55.7 | -48.8 | 174.5 | 173.3 | 0 | 0 | 0 | 0 | 110 | A466 K467 T470 L534 I535 S540 K541 C542 W551 | A466-V538 HydrophobicContact CB-CG2 4.25Å; K467-V538 HydrophobicContact CB-CG1 4.14Å; K467-V538 HydrophobicContact CG-CG1 4.07Å; T470-V538 HydrophobicContact CG2-CG1 4.27Å; L534-V538 WeakPolarHBondContact O-CB 3.42Å; L534-V538 WeakPolarHBondContact O-CG2 3.39Å; L534-V538 PolarHBondContact O-N 2.99Å; I535-V538 PolarHBondContact O-N 3.08Å; V538-S540 PolarHBondContact O-N 3.04Å; V538-K541 PolarHBondContact O-N 2.95Å; V538-C542 HydrophobicContact CG1-CB 3.95Å; V538-C542 VanDerWaalsContact O-CB 3.27Å; V538-C542 WeakPolarHBondContact O-CB 3.48Å; V538-C542 PolarHBondContact O-N 3.47Å; V538-W551 HydrophobicContact CG2-CH2 3.73Å; V538-W551 HydrophobicContact CG2-CZ2 3.57Å |
| 539 | K | 83.1 | Confident | 70.5 | Confident | 137 Ų | 137 | 63.3 Ų | 63.3 | 60% | 0.596 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -57 | -37.6 | 178.1 | -171.4 | 176.4 | -177.4 | 175 | 0 | 112.4 | T470 I535 K536 F537 | T470-K539 HydrophobicContact CG2-CB 4.07Å; T470-K539 HydrophobicContact CG2-CG 4.44Å; I535-K539 WeakPolarHBondContact O-CB 3.37Å; I535-K539 PolarHBondContact O-N 2.91Å; K536-K539 PolarHBondContact O-N 3.1Å; F537-K539 VanDerWaalsContact C-N 3.32Å; F537-K539 PolarHBondContact O-N 3.19Å |
| 540 | S | 79.9 | Confident | 68.2 | Low | 88 Ų | 88 | 61.9 Ų | 61.9 | 62% | 0.615 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -74.6 | -21.2 | 177.7 | 76.7 | 0 | 0 | 0 | 0 | 114.6 | K536 F537 V538 | K536-S540 PolarHBondContact O-N 3.38Å; F537-S540 PolarHBondContact O-N 2.98Å; F537-S540 VanDerWaalsContact O-N 3.1Å; F537-S540 PolarHBondContact O-OG 3.21Å; V538-S540 PolarHBondContact O-N 3.04Å |
| 541 | K | 69.5 | Low | 65.9 | Low | 152 Ų | 152 | 63.8 Ų | 63.8 | 66% | 0.661 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -114.9 | -21.1 | -171.2 | -69.7 | -75.9 | -177 | 178.5 | 0 | 115.3 | F537 V538 | F537-K541 HydrophobicContact CD1-CG 4.45Å; F537-K541 HydrophobicContact CE1-CG 4.06Å; F537-K541 HydrophobicContact CE2-CG 4.16Å; F537-K541 HydrophobicContact CZ-CD 4.49Å; F537-K541 HydrophobicContact CZ-CG 3.92Å; F537-K541 PolarHBondContact O-N 3.07Å; F537-K541 VanDerWaalsContact O-N 3.12Å; V538-K541 PolarHBondContact O-N 2.95Å |
| 542 | C | 52.7 | Low | 63.3 | Low | 44 Ų | 44 | 67.5 Ų | 67.5 | 30% | 0.297 | 34% | 0.339 | S | S | . | . | trans | -93.4 | 121.7 | -163.5 | -100.2 | 0 | 0 | 0 | 0 | 116.6 | K467 V538 | K467-C542 WeakPolarHBondContact CE-SG 3.36Å; K467-C542 PolarHBondContact NZ-SG 3.29Å; V538-C542 HydrophobicContact CG1-CB 3.95Å; V538-C542 VanDerWaalsContact O-CB 3.27Å; V538-C542 WeakPolarHBondContact O-CB 3.48Å; V538-C542 PolarHBondContact O-N 3.47Å | ||
| 543 | T | 40.4 | Very low | 60.9 | Low | 121 Ų | 121 | 73.7 Ų | 73.7 | 74% | 0.742 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -107.4 | 128.5 | 137.2 | 51.2 | 0 | 0 | 0 | 0 | 109 | ||
| 544 | L | 36.6 | Very low | 58.2 | Low | 125 Ų | 125 | 75.3 Ų | 75.3 | 65% | 0.654 | 38% | 0.384 | S | S | * | . | trans | 68.5 | 136.1 | 168.5 | -65.9 | 158.8 | 0 | 0 | 0 | 119.7 | K467 E546 S547 | K467-L544 WeakPolarHBondContact CE-O 3.5Å; K467-L544 PolarHBondContact NZ-O 3.06Å; L544-E546 PolarHBondContact O-N 3.28Å; L544-S547 PolarHBondContact O-OG 3.17Å | ||
| 545 | I | 43.8 | Very low | 55.4 | Low | 30 Ų | 30 | 78.6 Ų | 78.6 | 15% | 0.154 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -47 | -33.4 | 177.6 | -76 | 166.2 | 0 | 0 | 0 | 114.4 | Y277 V284 K467 Y471 S547 | Y277-I545 HydrophobicContact CE2-CG2 4.14Å; V284-I545 HydrophobicContact CB-CD1 3.57Å; V284-I545 HydrophobicContact CG1-CD1 3.49Å; V284-I545 VanDerWaalsContact CG1-CD1 3.49Å; V284-I545 HydrophobicContact CG2-CD1 3.86Å; K467-I545 VanDerWaalsContact NZ-C 3.26Å; K467-I545 PolarHBondContact NZ-O 3.3Å; K467-I545 VanDerWaalsContact NZ-O 3.09Å; Y471-I545 HydrophobicContact CE2-CD1 4.08Å; Y471-I545 HydrophobicContact CE2-CG1 3.61Å; I545-S547 PolarHBondContact O-N 3.33Å; I545-S547 VanDerWaalsContact O-N 3.1Å |
| 546 | E | 43.2 | Very low | 52.3 | Low | 131 Ų | 131 | 83.9 Ų | 83.9 | 61% | 0.612 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -74.4 | -5.2 | -164.1 | -54.5 | -166.2 | 139.8 | 0 | 0 | 115.4 | R268 L544 | R268-E546 IonicContact NH1-OE1 3.22Å; L544-E546 PolarHBondContact O-N 3.28Å |
| 547 | S | 43.6 | Very low | 49.4 | Very low | 24 Ų | 24 | 85.4 Ų | 85.4 | 17% | 0.168 | 45% | 0.448 | C | S | . | . | G | 310 helix | trans | -92.6 | 8.7 | -172.9 | 55.6 | 0 | 0 | 0 | 0 | 116.5 | K467 L544 I545 D549 L550 | K467-S547 PolarHBondContact NZ-OG 3.24Å; L544-S547 PolarHBondContact O-OG 3.17Å; I545-S547 PolarHBondContact O-N 3.33Å; I545-S547 VanDerWaalsContact O-N 3.1Å; S547-D549 PolarHBondContact O-N 3.44Å; S547-L550 WeakPolarHBondContact O-CB 3.32Å; S547-L550 PolarHBondContact O-N 3.3Å |
| 548 | V | 47.9 | Very low | 46.7 | Very low | 5 Ų | 5 | 88.5 Ų | 88.5 | 3% | 0.03 | 48% | 0.475 | C | S | . | . | G | 310 helix | trans | -59.1 | -32.6 | -178 | -174 | 0 | 0 | 0 | 0 | 112.1 | I272 K467 L550 W551 | I272-V548 HydrophobicContact CD1-CB 4.19Å; I272-V548 HydrophobicContact CD1-CG1 3.78Å; K467-V548 HydrophobicContact CD-CG2 4.45Å; V548-L550 VanDerWaalsContact C-N 3.3Å; V548-L550 PolarHBondContact O-N 3.03Å; V548-W551 WeakPolarHBondContact O-CB 3.15Å; V548-W551 PolarHBondContact O-N 3.46Å |
| 549 | D | 43.2 | Very low | 44 | Very low | 56 Ų | 56 | 100.8 Ų | 100.8 | 30% | 0.299 | 53% | 0.532 | S | S | . | . | G | 310 helix | trans | -68 | -25.3 | 173.7 | -91.4 | -0.3 | 0 | 0 | 0 | 114.2 | R268 S547 W551 | R268-D549 WeakPolarHBondContact CA-OD2 3.28Å; R268-D549 VanDerWaalsContact CB-OD2 3.27Å; R268-D549 WeakPolarHBondContact CB-OD2 3.49Å; R268-D549 PolarHBondContact N-OD2 3.1Å; R268-D549 VanDerWaalsContact N-OD2 3.08Å; S547-D549 PolarHBondContact O-N 3.44Å; D549-W551 PolarHBondContact O-N 3.39Å |
| 550 | L | 40.4 | Very low | 42.1 | Very low | 103 Ų | 103 | 99 Ų | 99 | 54% | 0.539 | 53% | 0.529 | S | S | . | . | G | 310 helix | trans | -68.7 | -19.6 | 178.7 | -71.3 | 169.2 | 0 | 0 | 0 | 111.8 | S547 V548 F552 K553 S554 | S547-L550 WeakPolarHBondContact O-CB 3.32Å; S547-L550 PolarHBondContact O-N 3.3Å; V548-L550 VanDerWaalsContact C-N 3.3Å; V548-L550 PolarHBondContact O-N 3.03Å; L550-F552 VanDerWaalsContact C-N 3.26Å; L550-F552 PolarHBondContact O-N 3.11Å; L550-K553 PolarHBondContact O-N 3.31Å; L550-S554 PolarHBondContact O-N 2.88Å; L550-S554 VanDerWaalsContact O-N 3.13Å; L550-S554 PolarHBondContact O-OG 3.09Å |
| 551 | W | 42.6 | Very low | 40.1 | Very low | 40 Ų | 40 | 99.6 Ų | 99.6 | 15% | 0.152 | 53% | 0.525 | C | S | . | . | G | 310 helix | trans | -53.8 | -42 | 179.4 | -75.5 | 57.3 | 0 | 0 | 0 | 112.2 | L534 F537 V538 V548 D549 S554 I555 | L534-W551 HydrophobicContact CD2-CH2 4.14Å; L534-W551 HydrophobicContact CD2-CZ3 3.89Å; F537-W551 AromaticContact CD1-CH2 3.42Å; F537-W551 HydrophobicContact CD1-CH2 3.42Å; F537-W551 VanDerWaalsContact CD1-CH2 3.42Å; F537-W551 HydrophobicContact CD1-CZ2 4.11Å; F537-W551 AromaticContact CD1-CZ3 3.69Å; F537-W551 HydrophobicContact CD1-CZ3 3.69Å; F537-W551 HydrophobicContact CE1-CE3 4.15Å; F537-W551 AromaticContact CE1-CH2 3.72Å; F537-W551 HydrophobicContact CE1-CH2 3.72Å; F537-W551 HydrophobicContact CE1-CZ2 4.2Å; F537-W551 AromaticContact CE1-CZ3 3.67Å; F537-W551 HydrophobicContact CE1-CZ3 3.67Å; V538-W551 HydrophobicContact CG2-CH2 3.73Å; V538-W551 HydrophobicContact CG2-CZ2 3.57Å; V548-W551 WeakPolarHBondContact O-CB 3.15Å; V548-W551 PolarHBondContact O-N 3.46Å; D549-W551 PolarHBondContact O-N 3.39Å; W551-S554 PolarHBondContact O-OG 3.11Å; W551-I555 WeakPolarHBondContact O-CG1 3.16Å |
| 552 | F | 38 | Very low | 38.5 | Very low | 78 Ų | 78 | 96.7 Ų | 96.7 | 34% | 0.342 | 52% | 0.517 | S | S | . | . | G | 310 helix | trans | -81.8 | -16 | 179.4 | -77.2 | -76.3 | 0 | 0 | 0 | 114.7 | K456 L550 I555 | K456-F552 HydrophobicContact CB-CE2 4.43Å; K456-F552 HydrophobicContact CB-CZ 4Å; K456-F552 HydrophobicContact CD-CE1 4.08Å; K456-F552 HydrophobicContact CD-CZ 3.99Å; K456-F552 HydrophobicContact CG-CE1 4.16Å; K456-F552 HydrophobicContact CG-CZ 3.79Å; L550-F552 VanDerWaalsContact C-N 3.26Å; L550-F552 PolarHBondContact O-N 3.11Å; F552-I555 HydrophobicContact CD1-CD1 4.15Å; F552-I555 HydrophobicContact CE1-CD1 4.46Å |
| 553 | K | 40.5 | Very low | 37.6 | Very low | 183 Ų | 183 | 99.8 Ų | 99.8 | 80% | 0.796 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -21.8 | 172.7 | -73.2 | -169.7 | 177.9 | -175.5 | 0 | 112.5 | L550 | L550-K553 PolarHBondContact O-N 3.31Š|
| 554 | S | 34.9 | Very low | 37.5 | Very low | 92 Ų | 92 | 98.4 Ų | 98.4 | 64% | 0.643 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -91 | -5.7 | 177.6 | 42.6 | 0 | 0 | 0 | 0 | 114.6 | L550 W551 P556 | L550-S554 PolarHBondContact O-N 2.88Å; L550-S554 VanDerWaalsContact O-N 3.13Å; L550-S554 PolarHBondContact O-OG 3.09Å; W551-S554 PolarHBondContact O-OG 3.11Å; S554-P556 WeakPolarHBondContact O-CD 3.48Å |
| 555 | I | 31.5 | Very low | 37.5 | Very low | 69 Ų | 69 | 96.7 Ų | 96.7 | 35% | 0.354 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -84.4 | 115.6 | 170.3 | -63.7 | 163.6 | 0 | 0 | 0 | 106.6 | W551 F552 I557 | W551-I555 WeakPolarHBondContact O-CG1 3.16Å; F552-I555 HydrophobicContact CD1-CD1 4.15Å; F552-I555 HydrophobicContact CE1-CD1 4.46Å; I555-I557 PolarHBondContact O-N 3.41Å; I555-I557 VanDerWaalsContact O-N 3.09Å |
| 556 | P | 27.1 | Very low | 37.1 | Very low | 116 Ų | 116 | 101.4 Ų | 101.4 | 75% | 0.753 | 53% | 0.533 | S | S | * | . | trans | -61.1 | 116.8 | 171.5 | -4.3 | 16.9 | 0 | 0 | 0 | 107.1 | S554 S558 | S554-P556 WeakPolarHBondContact O-CD 3.48Å; P556-S558 VanDerWaalsContact C-N 3.3Å; P556-S558 PolarHBondContact O-N 3Å | ||
| 557 | I | 28.6 | Very low | 36.6 | Very low | 154 Ų | 154 | 99.2 Ų | 99.2 | 79% | 0.79 | 53% | 0.527 | S | S | * | . | trans | -64.7 | 99.7 | 166.3 | -59.8 | 168.4 | 0 | 0 | 0 | 105.1 | I555 Q559 | I555-I557 PolarHBondContact O-N 3.41Å; I555-I557 VanDerWaalsContact O-N 3.09Å; I557-Q559 PolarHBondContact O-N 3.49Å | ||
| 558 | S | 29.7 | Very low | 36 | Very low | 110 Ų | 110 | 105.4 Ų | 105.4 | 77% | 0.769 | 56% | 0.557 | S | S | * | * | trans | -62.9 | 118.3 | 160.2 | 54.8 | 0 | 0 | 0 | 0 | 106.8 | P556 | P556-S558 VanDerWaalsContact C-N 3.3Å; P556-S558 PolarHBondContact O-N 3Å | ||
| 559 | Q | 27.7 | Very low | 34.9 | Very low | 259 Ų | 259 | 114.5 Ų | 114.5 | 100% | 1.21 | 60% | 0.604 | S | S | * | * | trans | -9.7 | 0 | 177.8 | -72 | 178 | -17.9 | 0 | 0 | 118.3 | I557 | I557-Q559 PolarHBondContact O-N 3.49Š|
Retrieved 559 of 559 residues in 757.5 ms
(Link to these results)