| 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 | 40.4 | Very low | 57.4 | Low | 106 Ų | 106 | 78.4 Ų | 78.4 | 52% | 0.522 | 39% | 0.392 | S | S | . | . | 0 | -63.5 | 0 | -170.9 | -179 | -89.6 | 0 | 0 | 115.3 | L3 W4 M5 Y394 | M1-L3 PolarHBondContact O-N 2.78Å; M1-L3 VanDerWaalsContact O-N 3.15Å; M1-W4 WeakPolarHBondContact O-CB 3.23Å; M1-W4 PolarHBondContact O-N 3.08Å; M1-M5 HydrophobicContact CG-CG 4.2Å; M1-M5 HydrophobicContact CG-SD 3.78Å; M1-M5 HydrophobicContact SD-SD 3.95Å; M1-Y394 WeakPolarHBondContact CA-O 3.46Å; M1-Y394 HydrophobicContact CB-CD2 4.46Å; M1-Y394 WeakPolarHBondContact CB-O 3.27Å; M1-Y394 HydrophobicContact CE-CD2 3.64Å; M1-Y394 HydrophobicContact CE-CE2 3.54Å; M1-Y394 HydrophobicContact CG-CD2 4.2Å; M1-Y394 PolarHBondContact N-O 3.36Å | |||
| 2 | L | 37.1 | Very low | 59.2 | Low | 137 Ų | 137 | 73.1 Ų | 73.1 | 72% | 0.717 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -53.6 | -37.3 | -163.2 | -87.2 | 162.2 | 0 | 0 | 0 | 117.7 | W4 | L2-W4 PolarHBondContact O-N 3.11Å |
| 3 | L | 44.8 | Very low | 60.6 | Low | 137 Ų | 137 | 70.2 Ų | 70.2 | 72% | 0.717 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -66.3 | -28.4 | -178.7 | -151.5 | 81.1 | 0 | 0 | 0 | 112.4 | M1 | M1-L3 PolarHBondContact O-N 2.78Å; M1-L3 VanDerWaalsContact O-N 3.15Å |
| 4 | W | 49.3 | Very low | 62.1 | Low | 59 Ų | 59 | 71.8 Ų | 71.8 | 22% | 0.223 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -90.3 | -39 | -165.9 | -162.4 | 99.3 | 0 | 0 | 0 | 111.9 | M1 L2 K6 T7 R312 T315 K316 | M1-W4 WeakPolarHBondContact O-CB 3.23Å; M1-W4 PolarHBondContact O-N 3.08Å; L2-W4 PolarHBondContact O-N 3.11Å; W4-K6 PolarHBondContact O-N 3.14Å; W4-T7 PolarHBondContact O-N 3.34Å; W4-T7 PolarHBondContact O-OG1 3.35Å; W4-R312 WeakPolarHBondContact CH2-O 3.25Å; W4-T315 HydrophobicContact CH2-CG2 4.48Å; W4-T315 HydrophobicContact CZ2-CG2 3.76Å; W4-K316 VanDerWaalsContact CH2-CA 3.43Å; W4-K316 HydrophobicContact CH2-CB 3.51Å; W4-K316 HydrophobicContact CH2-CG 4.27Å; W4-K316 HydrophobicContact CZ3-CB 3.52Å; W4-K316 HydrophobicContact CZ3-CD 4.16Å; W4-K316 HydrophobicContact CZ3-CG 3.76Å |
| 5 | M | 53 | Low | 63.5 | Low | 76 Ų | 76 | 67 Ų | 67 | 37% | 0.374 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.1 | -36.1 | 168.9 | -62.6 | -177.3 | 73.1 | 0 | 0 | 111.5 | M1 T7 E8 E9 | M1-M5 HydrophobicContact CG-CG 4.2Å; M1-M5 HydrophobicContact CG-SD 3.78Å; M1-M5 HydrophobicContact SD-SD 3.95Å; M5-T7 VanDerWaalsContact C-N 3.31Å; M5-T7 PolarHBondContact O-N 2.98Å; M5-E8 PolarHBondContact O-N 3.05Å; M5-E9 WeakPolarHBondContact O-CG 3.13Å; M5-E9 PolarHBondContact O-N 3.17Å |
| 6 | K | 55.3 | Low | 64.8 | Low | 68 Ų | 68 | 65.4 Ų | 65.4 | 30% | 0.296 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.9 | -35.7 | 179 | -170.5 | -168.5 | 172.3 | -159.7 | 0 | 112.7 | W4 M10 L819 | W4-K6 PolarHBondContact O-N 3.14Å; K6-M10 HydrophobicContact CG-SD 4.3Å; K6-M10 WeakPolarHBondContact O-CB 3.42Å; K6-M10 VanDerWaalsContact O-CG 3.3Å; K6-M10 WeakPolarHBondContact O-CG 3.34Å; K6-M10 PolarHBondContact O-N 3.3Å; K6-L819 HydrophobicContact CG-CD2 4.47Å |
| 7 | T | 64.9 | Low | 66 | Low | 70 Ų | 70 | 69.9 Ų | 69.9 | 43% | 0.429 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -72.5 | -32.9 | 178.6 | 34.6 | 0 | 0 | 0 | 0 | 113.1 | W4 M5 A11 | W4-T7 PolarHBondContact O-N 3.34Å; W4-T7 PolarHBondContact O-OG1 3.35Å; M5-T7 VanDerWaalsContact C-N 3.31Å; M5-T7 PolarHBondContact O-N 2.98Å; T7-A11 PolarHBondContact O-N 3.16Å |
| 8 | E | 68.4 | Low | 67 | Low | 9 Ų | 9 | 70.4 Ų | 70.4 | 4% | 0.042 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -69.7 | -48.4 | 170.7 | -177.2 | -162.4 | -156.3 | 0 | 0 | 111 | M5 M10 A11 L12 F309 H313 K316 | M5-E8 PolarHBondContact O-N 3.05Å; E8-M10 VanDerWaalsContact C-N 3.28Å; E8-M10 PolarHBondContact O-N 3.44Å; E8-A11 PolarHBondContact O-N 3.5Å; E8-L12 WeakPolarHBondContact O-CB 3.08Å; E8-L12 PolarHBondContact O-N 2.86Å; E8-F309 HydrophobicContact CG-CE2 3.99Å; E8-H313 IonicContact OE1-CE1 2.66Å; E8-H313 IonicContact OE1-CG 2.93Å; E8-H313 IonicContact OE1-ND1 2.73Å; E8-H313 PolarHBondContact OE1-ND1 3.44Å; E8-K316 VanDerWaalsContact CD-CD 3.44Å; E8-K316 WeakPolarHBondContact OE1-CD 3.34Å; E8-K316 IonicContact OE1-NZ 2.83Å; E8-K316 PolarHBondContact OE1-NZ 3Å; E8-K316 WeakPolarHBondContact OE2-CD 3.35Å; E8-K316 WeakPolarHBondContact OE2-CE 3.38Å; E8-K316 IonicContact OE2-NZ 3.03Å; E8-K316 PolarHBondContact OE2-NZ 3.45Å |
| 9 | E | 69.7 | Low | 68.1 | Low | 88 Ų | 88 | 66.7 Ų | 66.7 | 41% | 0.411 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.6 | -34 | 179.3 | -74.8 | -171.2 | 142 | 0 | 0 | 113.1 | M5 G13 | M5-E9 WeakPolarHBondContact O-CG 3.13Å; M5-E9 PolarHBondContact O-N 3.17Å; E9-G13 PolarHBondContact O-N 3.1Å |
| 10 | M | 73.4 | Confident | 69 | Low | 103 Ų | 103 | 71.7 Ų | 71.7 | 51% | 0.507 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -69.2 | -48.2 | 175.2 | -77.8 | 179.1 | 58.5 | 0 | 0 | 112.1 | K6 E8 L12 G13 E14 L819 | K6-M10 HydrophobicContact CG-SD 4.3Å; K6-M10 WeakPolarHBondContact O-CB 3.42Å; K6-M10 VanDerWaalsContact O-CG 3.3Å; K6-M10 WeakPolarHBondContact O-CG 3.34Å; K6-M10 PolarHBondContact O-N 3.3Å; E8-M10 VanDerWaalsContact C-N 3.28Å; E8-M10 PolarHBondContact O-N 3.44Å; M10-L12 VanDerWaalsContact C-N 3.32Å; M10-L12 PolarHBondContact O-N 2.87Å; M10-G13 PolarHBondContact O-N 3.34Å; M10-G13 VanDerWaalsContact O-N 3.11Å; M10-E14 PolarHBondContact O-N 3.19Å; M10-L819 HydrophobicContact CG-CD2 4.03Å; M10-L819 HydrophobicContact SD-CD2 4.19Å |
| 11 | A | 75.6 | Confident | 69.9 | Low | 9 Ų | 9 | 71.3 Ų | 71.3 | 7% | 0.074 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.6 | -39.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | T7 E8 E14 L15 F309 | T7-A11 PolarHBondContact O-N 3.16Å; E8-A11 PolarHBondContact O-N 3.5Å; A11-E14 PolarHBondContact O-N 3.16Å; A11-L15 WeakPolarHBondContact O-CB 3.49Å; A11-L15 PolarHBondContact O-N 3.02Å; A11-F309 HydrophobicContact CB-CB 4.24Å; A11-F309 HydrophobicContact CB-CD2 4.44Å |
| 12 | L | 78.3 | Confident | 72.1 | Confident | 15 Ų | 15 | 66.5 Ų | 66.5 | 8% | 0.079 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60 | -44.8 | 171.1 | 175.1 | 71.9 | 0 | 0 | 0 | 112.2 | E8 M10 L15 L16 G222 A226 F309 | E8-L12 WeakPolarHBondContact O-CB 3.08Å; E8-L12 PolarHBondContact O-N 2.86Å; M10-L12 VanDerWaalsContact C-N 3.32Å; M10-L12 PolarHBondContact O-N 2.87Å; L12-L15 PolarHBondContact O-N 2.65Å; L12-L16 HydrophobicContact CD1-CD1 3.91Å; L12-L16 HydrophobicContact CD1-CG 4.11Å; L12-L16 HydrophobicContact CD2-CD1 4.45Å; L12-L16 HydrophobicContact CG-CD1 3.87Å; L12-L16 HydrophobicContact CG-CG 4.37Å; L12-L16 WeakPolarHBondContact O-CB 3.17Å; L12-L16 VanDerWaalsContact O-CG 3.29Å; L12-L16 WeakPolarHBondContact O-CG 3.39Å; L12-L16 PolarHBondContact O-N 2.85Å; L12-G222 WeakPolarHBondContact CD1-O 3.41Å; L12-A226 HydrophobicContact CD1-CB 3.94Å; L12-A226 HydrophobicContact CD2-CB 3.29Å; L12-A226 HydrophobicContact CG-CB 4.24Å; L12-F309 HydrophobicContact CB-CD2 3.92Å; L12-F309 HydrophobicContact CB-CE2 3.76Å; L12-F309 HydrophobicContact CD1-CE1 4.32Å; L12-F309 HydrophobicContact CD1-CE2 3.97Å; L12-F309 HydrophobicContact CD1-CZ 3.85Å; L12-F309 HydrophobicContact CG-CE2 4.4Å |
| 13 | G | 77.8 | Confident | 74.5 | Confident | 35 Ų | 35 | 60.9 Ų | 60.9 | 36% | 0.361 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.9 | -46.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E9 M10 L16 E17 | E9-G13 PolarHBondContact O-N 3.1Å; M10-G13 PolarHBondContact O-N 3.34Å; M10-G13 VanDerWaalsContact O-N 3.11Å; G13-L16 PolarHBondContact O-N 2.71Å; G13-E17 WeakPolarHBondContact O-CB 3.36Å; G13-E17 PolarHBondContact O-N 3.08Å |
| 14 | E | 81.8 | Confident | 76.4 | Confident | 93 Ų | 93 | 59.7 Ų | 59.7 | 44% | 0.435 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 177.5 | -162.1 | -177.8 | 144.1 | 0 | 0 | 112.2 | M10 A11 E17 R18 | M10-E14 PolarHBondContact O-N 3.19Å; A11-E14 PolarHBondContact O-N 3.16Å; E14-E17 PolarHBondContact O-N 3.11Å; E14-R18 PolarHBondContact O-N 2.87Å; E14-R18 IonicContact OE1-CZ 2.61Å; E14-R18 IonicContact OE1-NH1 3.1Å; E14-R18 PolarHBondContact OE1-NH1 2.61Å; E14-R18 IonicContact OE1-NH2 3.64Å; E14-R18 PolarHBondContact OE1-NH2 3.3Å |
| 15 | L | 83.2 | Confident | 78.2 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.1 | -49.4 | 173.3 | 175 | 62.4 | 0 | 0 | 0 | 111.9 | A11 L12 E17 R18 L19 A305 F306 F309 | A11-L15 WeakPolarHBondContact O-CB 3.49Å; A11-L15 PolarHBondContact O-N 3.02Å; L12-L15 PolarHBondContact O-N 2.65Å; L15-E17 VanDerWaalsContact C-N 3.28Å; L15-E17 PolarHBondContact O-N 3.24Å; L15-R18 PolarHBondContact O-N 3.42Å; L15-L19 HydrophobicContact CD1-CD1 3.76Å; L15-L19 HydrophobicContact CD1-CG 4.05Å; L15-L19 HydrophobicContact CG-CD1 3.78Å; L15-L19 HydrophobicContact CG-CG 4.46Å; L15-L19 WeakPolarHBondContact O-CB 3.36Å; L15-L19 WeakPolarHBondContact O-CG 3.39Å; L15-L19 PolarHBondContact O-N 3.08Å; L15-A305 HydrophobicContact CD1-CB 3.97Å; L15-F306 HydrophobicContact CD1-CB 4.11Å; L15-F306 HydrophobicContact CD2-CD2 4.18Å; L15-F309 HydrophobicContact CD2-CB 4.04Å; L15-F309 HydrophobicContact CD2-CD1 3.58Å; L15-F309 HydrophobicContact CD2-CE1 4.33Å; L15-F309 HydrophobicContact CD2-CG 3.99Å |
| 16 | L | 83.8 | Confident | 79.7 | Confident | 41 Ų | 41 | 53.8 Ų | 53.8 | 22% | 0.215 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.8 | -28.4 | -179.1 | -70.4 | 174.3 | 0 | 0 | 0 | 113.1 | L12 G13 R20 Q219 | L12-L16 HydrophobicContact CD1-CD1 3.91Å; L12-L16 HydrophobicContact CD1-CG 4.11Å; L12-L16 HydrophobicContact CD2-CD1 4.45Å; L12-L16 HydrophobicContact CG-CD1 3.87Å; L12-L16 HydrophobicContact CG-CG 4.37Å; L12-L16 WeakPolarHBondContact O-CB 3.17Å; L12-L16 VanDerWaalsContact O-CG 3.29Å; L12-L16 WeakPolarHBondContact O-CG 3.39Å; L12-L16 PolarHBondContact O-N 2.85Å; G13-L16 PolarHBondContact O-N 2.71Å; L16-R20 PolarHBondContact O-N 2.85Å; L16-Q219 HydrophobicContact CD2-CG 3.89Å |
| 17 | E | 84.4 | Confident | 81.1 | Confident | 143 Ų | 143 | 53.3 Ų | 53.3 | 67% | 0.668 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -73.8 | -46.5 | 174 | -173 | 158.8 | -150.2 | 0 | 0 | 111.6 | G13 E14 L15 L19 R20 S21 | G13-E17 WeakPolarHBondContact O-CB 3.36Å; G13-E17 PolarHBondContact O-N 3.08Å; E14-E17 PolarHBondContact O-N 3.11Å; L15-E17 VanDerWaalsContact C-N 3.28Å; L15-E17 PolarHBondContact O-N 3.24Å; E17-L19 PolarHBondContact O-N 3.35Å; E17-R20 PolarHBondContact O-N 3.49Å; E17-S21 PolarHBondContact O-N 3.31Å; E17-S21 VanDerWaalsContact O-N 3.08Å |
| 18 | R | 85.6 | Confident | 82 | Confident | 79 Ų | 79 | 55 Ų | 55 | 30% | 0.298 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -55.3 | -52.3 | 171.5 | -76.6 | -170.4 | 179 | 100.3 | 13.8 | 111.6 | E14 L15 R20 S21 V22 | E14-R18 PolarHBondContact O-N 2.87Å; E14-R18 IonicContact OE1-CZ 2.61Å; E14-R18 IonicContact OE1-NH1 3.1Å; E14-R18 PolarHBondContact OE1-NH1 2.61Å; E14-R18 IonicContact OE1-NH2 3.64Å; E14-R18 PolarHBondContact OE1-NH2 3.3Å; L15-R18 PolarHBondContact O-N 3.42Å; R18-R20 PolarHBondContact O-N 2.84Å; R18-S21 WeakPolarHBondContact O-CA 3.3Å; R18-S21 WeakPolarHBondContact O-CB 3.02Å; R18-S21 PolarHBondContact O-N 2.88Å; R18-V22 WeakPolarHBondContact O-CG2 3.32Å; R18-V22 PolarHBondContact O-N 3.34Å |
| 19 | L | 86.6 | Confident | 82.6 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.2 | -32.7 | -178.9 | -70.4 | 169.6 | 0 | 0 | 0 | 113.3 | L15 E17 T23 A215 L218 Q219 T302 | L15-L19 HydrophobicContact CD1-CD1 3.76Å; L15-L19 HydrophobicContact CD1-CG 4.05Å; L15-L19 HydrophobicContact CG-CD1 3.78Å; L15-L19 HydrophobicContact CG-CG 4.46Å; L15-L19 WeakPolarHBondContact O-CB 3.36Å; L15-L19 WeakPolarHBondContact O-CG 3.39Å; L15-L19 PolarHBondContact O-N 3.08Å; E17-L19 PolarHBondContact O-N 3.35Å; L19-T23 PolarHBondContact O-N 2.66Å; L19-T23 VanDerWaalsContact O-N 3.13Å; L19-T23 PolarHBondContact O-OG1 3.32Å; L19-A215 HydrophobicContact CD2-CB 3.83Å; L19-L218 HydrophobicContact CD1-CB 4.03Å; L19-L218 HydrophobicContact CD2-CB 3.81Å; L19-L218 HydrophobicContact CD2-CD1 4.04Å; L19-Q219 HydrophobicContact CB-CB 4.48Å; L19-Q219 HydrophobicContact CD1-CB 4.01Å; L19-T302 HydrophobicContact CD2-CG2 3.42Å; L19-T302 VanDerWaalsContact CD2-CG2 3.42Å; L19-T302 HydrophobicContact CG-CG2 4.37Å |
| 20 | R | 85.9 | Confident | 83.1 | Confident | 165 Ų | 165 | 53 Ų | 53 | 62% | 0.623 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -70.3 | -44.2 | 173 | -170.4 | -176.6 | -58.5 | 159.8 | 7.7 | 111.8 | L16 E17 R18 V22 T23 Q24 | L16-R20 PolarHBondContact O-N 2.85Å; E17-R20 PolarHBondContact O-N 3.49Å; R18-R20 PolarHBondContact O-N 2.84Å; R20-V22 VanDerWaalsContact C-N 3.34Å; R20-V22 PolarHBondContact O-N 2.63Å; R20-T23 PolarHBondContact O-N 3.01Å; R20-Q24 PolarHBondContact O-N 3.49Å |
| 21 | S | 88.1 | Confident | 83.2 | Confident | 65 Ų | 65 | 49.8 Ų | 49.8 | 46% | 0.455 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.8 | -41.9 | 176.8 | -173.2 | 0 | 0 | 0 | 0 | 112.3 | E17 R18 Q24 T25 | E17-S21 PolarHBondContact O-N 3.31Å; E17-S21 VanDerWaalsContact O-N 3.08Å; R18-S21 WeakPolarHBondContact O-CA 3.3Å; R18-S21 WeakPolarHBondContact O-CB 3.02Å; R18-S21 PolarHBondContact O-N 2.88Å; S21-Q24 PolarHBondContact O-N 3.17Å; S21-T25 VanDerWaalsContact O-CB 3.32Å; S21-T25 WeakPolarHBondContact O-CB 3.44Å; S21-T25 PolarHBondContact O-N 3.38Å; S21-T25 PolarHBondContact O-OG1 3.35Å |
| 22 | V | 87.8 | Confident | 82.6 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 3% | 0.03 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.6 | -44 | 173.8 | 179.7 | 0 | 0 | 0 | 0 | 111.5 | R18 R20 T25 I26 V211 A215 Q298 | R18-V22 WeakPolarHBondContact O-CG2 3.32Å; R18-V22 PolarHBondContact O-N 3.34Å; R20-V22 VanDerWaalsContact C-N 3.34Å; R20-V22 PolarHBondContact O-N 2.63Å; V22-T25 WeakPolarHBondContact O-CB 3.29Å; V22-T25 PolarHBondContact O-N 3.3Å; V22-I26 HydrophobicContact CG1-CD1 3.88Å; V22-I26 WeakPolarHBondContact O-CD1 3.2Å; V22-I26 WeakPolarHBondContact O-CG1 3.23Å; V22-I26 PolarHBondContact O-N 2.68Å; V22-I26 VanDerWaalsContact O-N 3.16Å; V22-V211 HydrophobicContact CG1-CG1 3.66Å; V22-A215 HydrophobicContact CG1-CB 4.22Å; V22-Q298 HydrophobicContact CG1-CB 4.49Å; V22-Q298 HydrophobicContact CG2-CB 3.81Å; V22-Q298 HydrophobicContact CG2-CG 4.12Å |
| 23 | T | 86.9 | Confident | 81.9 | Confident | 19 Ų | 19 | 59.9 Ų | 59.9 | 12% | 0.117 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.9 | -48.2 | 177.6 | -54.4 | 0 | 0 | 0 | 0 | 111.2 | L19 R20 T25 I26 D27 K212 | L19-T23 PolarHBondContact O-N 2.66Å; L19-T23 VanDerWaalsContact O-N 3.13Å; L19-T23 PolarHBondContact O-OG1 3.32Å; R20-T23 PolarHBondContact O-N 3.01Å; T23-T25 PolarHBondContact O-N 3.06Å; T23-I26 PolarHBondContact O-N 2.72Å; T23-I26 VanDerWaalsContact O-N 3.14Å; T23-D27 VanDerWaalsContact O-CG 3.24Å; T23-D27 PolarHBondContact O-N 3.44Å; T23-K212 HydrophobicContact CG2-CG 4.48Å |
| 24 | Q | 85.5 | Confident | 81.4 | Confident | 111 Ų | 111 | 63 Ų | 63 | 52% | 0.519 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 178 | -173.2 | -171.5 | -40.5 | 0 | 0 | 111.9 | R20 S21 I26 D27 E28 | R20-Q24 PolarHBondContact O-N 3.49Å; S21-Q24 PolarHBondContact O-N 3.17Å; Q24-I26 PolarHBondContact O-N 2.97Å; Q24-D27 PolarHBondContact O-N 3.41Å; Q24-D27 VanDerWaalsContact O-N 3.11Å; Q24-E28 PolarHBondContact NE2-OE1 2.6Å; Q24-E28 WeakPolarHBondContact O-CG 3.36Å; Q24-E28 PolarHBondContact O-N 3.05Å |
| 25 | T | 85.9 | Confident | 81 | Confident | 11 Ų | 11 | 64.5 Ų | 64.5 | 7% | 0.067 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -53.1 | -39.9 | 174.6 | -70.4 | 0 | 0 | 0 | 0 | 111.7 | S21 V22 T23 I29 R294 L295 Q298 | S21-T25 VanDerWaalsContact O-CB 3.32Å; S21-T25 WeakPolarHBondContact O-CB 3.44Å; S21-T25 PolarHBondContact O-N 3.38Å; S21-T25 PolarHBondContact O-OG1 3.35Å; V22-T25 WeakPolarHBondContact O-CB 3.29Å; V22-T25 PolarHBondContact O-N 3.3Å; T23-T25 PolarHBondContact O-N 3.06Å; T25-I29 HydrophobicContact CG2-CD1 3.76Å; T25-I29 WeakPolarHBondContact O-CD1 3.37Å; T25-I29 WeakPolarHBondContact O-CG1 3.1Å; T25-I29 PolarHBondContact O-N 3.41Å; T25-R294 VanDerWaalsContact CG2-NH1 3.32Å; T25-L295 HydrophobicContact CG2-CD2 4.43Å; T25-Q298 PolarHBondContact OG1-NE2 3.48Å |
| 26 | I | 85.6 | Confident | 80.9 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -79.1 | -33.4 | -178.8 | -64.9 | 157.9 | 0 | 0 | 0 | 111.4 | V22 T23 Q24 E28 I29 M30 A208 V211 K212 L295 | V22-I26 HydrophobicContact CG1-CD1 3.88Å; V22-I26 WeakPolarHBondContact O-CD1 3.2Å; V22-I26 WeakPolarHBondContact O-CG1 3.23Å; V22-I26 PolarHBondContact O-N 2.68Å; V22-I26 VanDerWaalsContact O-N 3.16Å; T23-I26 PolarHBondContact O-N 2.72Å; T23-I26 VanDerWaalsContact O-N 3.14Å; Q24-I26 PolarHBondContact O-N 2.97Å; I26-E28 VanDerWaalsContact C-N 3.28Å; I26-E28 PolarHBondContact O-N 3.09Å; I26-I29 PolarHBondContact O-N 3.41Å; I26-M30 HydrophobicContact CG2-CG 4.15Å; I26-M30 HydrophobicContact CG2-SD 4.01Å; I26-M30 WeakPolarHBondContact O-CB 3.37Å; I26-M30 VanDerWaalsContact O-CG 3.32Å; I26-M30 WeakPolarHBondContact O-CG 3.39Å; I26-M30 PolarHBondContact O-N 2.89Å; I26-A208 HydrophobicContact CG2-CB 4.07Å; I26-V211 HydrophobicContact CD1-CB 3.91Å; I26-V211 HydrophobicContact CD1-CG1 3.81Å; I26-K212 HydrophobicContact CB-CB 4.33Å; I26-K212 HydrophobicContact CB-CD 4.42Å; I26-K212 HydrophobicContact CD1-CB 3.73Å; I26-K212 HydrophobicContact CG2-CB 3.93Å; I26-K212 HydrophobicContact CG2-CD 3.9Å; I26-K212 HydrophobicContact CG2-CG 4.49Å; I26-L295 HydrophobicContact CD1-CD2 3.91Å; I26-L295 HydrophobicContact CG1-CD2 3.55Å |
| 27 | D | 84.9 | Confident | 81.1 | Confident | 58 Ų | 58 | 65 Ų | 65 | 31% | 0.31 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.3 | -36.4 | 173.6 | -63.4 | -13.3 | 0 | 0 | 0 | 111.5 | T23 Q24 Q31 L32 K212 | T23-D27 VanDerWaalsContact O-CG 3.24Å; T23-D27 PolarHBondContact O-N 3.44Å; Q24-D27 PolarHBondContact O-N 3.41Å; Q24-D27 VanDerWaalsContact O-N 3.11Å; D27-Q31 PolarHBondContact O-N 2.94Å; D27-Q31 VanDerWaalsContact O-N 3.13Å; D27-L32 HydrophobicContact CB-CD1 4.23Å; D27-L32 PolarHBondContact O-N 3.21Å; D27-L32 VanDerWaalsContact OD1-CD1 3.31Å; D27-L32 WeakPolarHBondContact OD1-CD1 3.37Å; D27-K212 WeakPolarHBondContact OD1-CE 3.26Å; D27-K212 IonicContact OD1-NZ 2.71Å; D27-K212 PolarHBondContact OD1-NZ 2.91Å |
| 28 | E | 82.8 | Confident | 81.4 | Confident | 105 Ų | 105 | 62.7 Ų | 62.7 | 49% | 0.491 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.1 | -47.8 | 170.7 | -68.9 | 165.6 | -168.9 | 0 | 0 | 112.2 | Q24 I26 M30 Q31 | Q24-E28 PolarHBondContact NE2-OE1 2.6Å; Q24-E28 WeakPolarHBondContact O-CG 3.36Å; Q24-E28 PolarHBondContact O-N 3.05Å; I26-E28 VanDerWaalsContact C-N 3.28Å; I26-E28 PolarHBondContact O-N 3.09Å; E28-M30 VanDerWaalsContact C-N 3.26Å; E28-M30 PolarHBondContact O-N 3.48Å; E28-Q31 PolarHBondContact O-N 3.2Å |
| 29 | I | 82 | Confident | 81.8 | Confident | 34 Ų | 34 | 58.9 Ų | 58.9 | 17% | 0.174 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.2 | -35.6 | 177.1 | -70.2 | 159.3 | 0 | 0 | 0 | 111.8 | T25 I26 T291 L295 | T25-I29 HydrophobicContact CG2-CD1 3.76Å; T25-I29 WeakPolarHBondContact O-CD1 3.37Å; T25-I29 WeakPolarHBondContact O-CG1 3.1Å; T25-I29 PolarHBondContact O-N 3.41Å; I26-I29 PolarHBondContact O-N 3.41Å; I29-T291 HydrophobicContact CD1-CG2 3.76Å; I29-T291 HydrophobicContact CG1-CG2 4.02Å; I29-T291 HydrophobicContact CG2-CG2 4.08Å; I29-L295 HydrophobicContact CD1-CD1 4.17Å; I29-L295 HydrophobicContact CD1-CD2 3.91Å; I29-L295 HydrophobicContact CD1-CG 4.11Å |
| 30 | M | 80.1 | Confident | 82.1 | Confident | 23 Ų | 23 | 61.6 Ų | 61.6 | 11% | 0.113 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -0.3 | -177.3 | -66.2 | -166.6 | 74.4 | 0 | 0 | 114.2 | I26 E28 L32 R38 L209 | I26-M30 HydrophobicContact CG2-CG 4.15Å; I26-M30 HydrophobicContact CG2-SD 4.01Å; I26-M30 WeakPolarHBondContact O-CB 3.37Å; I26-M30 VanDerWaalsContact O-CG 3.32Å; I26-M30 WeakPolarHBondContact O-CG 3.39Å; I26-M30 PolarHBondContact O-N 2.89Å; E28-M30 VanDerWaalsContact C-N 3.26Å; E28-M30 PolarHBondContact O-N 3.48Å; M30-L32 VanDerWaalsContact C-N 3.3Å; M30-L32 HydrophobicContact CB-CD2 3.84Å; M30-L32 HydrophobicContact CB-CG 3.92Å; M30-L32 PolarHBondContact O-N 3.11Å; M30-R38 HydrophobicContact CE-CG 4.24Å; M30-L209 HydrophobicContact CE-CD1 4Å; M30-L209 HydrophobicContact CE-CD2 3.83Å; M30-L209 HydrophobicContact CE-CG 3.8Å; M30-L209 HydrophobicContact SD-CD2 3.67Å; M30-L209 HydrophobicContact SD-CG 3.81Å |
| 31 | Q | 74.7 | Confident | 82.4 | Confident | 35 Ų | 35 | 58.3 Ų | 58.3 | 16% | 0.164 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 45.5 | 47.1 | -176 | -56.3 | -167 | 4.8 | 0 | 0 | 113.8 | D27 E28 D33 T34 N35 P36 S90 | D27-Q31 PolarHBondContact O-N 2.94Å; D27-Q31 VanDerWaalsContact O-N 3.13Å; E28-Q31 PolarHBondContact O-N 3.2Å; Q31-D33 PolarHBondContact O-N 3.03Å; Q31-T34 WeakPolarHBondContact CB-OG1 3.4Å; Q31-T34 PolarHBondContact O-N 3.09Å; Q31-T34 PolarHBondContact O-OG1 3.39Å; Q31-N35 PolarHBondContact O-N 3.09Å; Q31-P36 WeakPolarHBondContact O-CD 3.39Å; Q31-S90 PolarHBondContact NE2-O 2.68Å |
| 32 | L | 62.9 | Low | 82.7 | Confident | 60 Ų | 60 | 55.6 Ų | 55.6 | 31% | 0.314 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -16.3 | -171.1 | -64.2 | -177.8 | 0 | 0 | 0 | 114.8 | D27 M30 N35 K212 | D27-L32 HydrophobicContact CB-CD1 4.23Å; D27-L32 PolarHBondContact O-N 3.21Å; D27-L32 VanDerWaalsContact OD1-CD1 3.31Å; D27-L32 WeakPolarHBondContact OD1-CD1 3.37Å; M30-L32 VanDerWaalsContact C-N 3.3Å; M30-L32 HydrophobicContact CB-CD2 3.84Å; M30-L32 HydrophobicContact CB-CG 3.92Å; M30-L32 PolarHBondContact O-N 3.11Å; L32-N35 WeakPolarHBondContact O-CB 3.06Å; L32-N35 PolarHBondContact O-N 3.23Å; L32-K212 VanDerWaalsContact CD1-NZ 3.32Å |
| 33 | D | 63.7 | Low | 83.1 | Confident | 176 Ų | 176 | 56.6 Ų | 56.6 | 94% | 0.941 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -32.8 | 172.1 | -72.1 | -33 | 0 | 0 | 0 | 113.2 | Q31 | Q31-D33 PolarHBondContact O-N 3.03Š|
| 34 | T | 67.4 | Low | 83.4 | Confident | 100 Ų | 100 | 59.2 Ų | 59.2 | 61% | 0.613 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -18.8 | 170.7 | 58.1 | 0 | 0 | 0 | 0 | 112 | Q31 | Q31-T34 WeakPolarHBondContact CB-OG1 3.4Å; Q31-T34 PolarHBondContact O-N 3.09Å; Q31-T34 PolarHBondContact O-OG1 3.39Å |
| 35 | N | 73.6 | Confident | 83.9 | Confident | 124 Ų | 124 | 54.9 Ų | 54.9 | 66% | 0.663 | 31% | 0.307 | S | S | * | . | trans | 55 | 51.6 | 171 | -147.2 | 4.1 | 0 | 0 | 0 | 113.8 | Q31 L32 | Q31-N35 PolarHBondContact O-N 3.09Å; L32-N35 WeakPolarHBondContact O-CB 3.06Å; L32-N35 PolarHBondContact O-N 3.23Å | ||
| 36 | P | 81.4 | Confident | 84.4 | Confident | 21 Ų | 21 | 54.4 Ų | 54.4 | 14% | 0.136 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 157.3 | -176.4 | 31.7 | -36.9 | 0 | 0 | 0 | 112.2 | Q31 T86 S90 | Q31-P36 WeakPolarHBondContact O-CD 3.39Å; P36-T86 HydrophobicContact CB-CG2 4.32Å; P36-S90 WeakPolarHBondContact CB-OG 3.43Å |
| 37 | P | 87.7 | Confident | 84.9 | Confident | 32 Ų | 32 | 60.9 Ų | 60.9 | 21% | 0.208 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 140.4 | 170.7 | 28.6 | -33.2 | 0 | 0 | 0 | 110.4 | I42 Y87 | P37-I42 HydrophobicContact CB-CG1 4.49Å; P37-I42 HydrophobicContact CB-CG2 3.73Å; P37-I42 HydrophobicContact CG-CD1 4.24Å; P37-I42 HydrophobicContact CG-CG2 4.34Å; P37-Y87 WeakPolarHBondContact O-CD2 3.48Å |
| 38 | R | 90.8 | Very high | 85.3 | Confident | 93 Ų | 93 | 61.6 Ų | 61.6 | 35% | 0.351 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -81.1 | 154.4 | -178.9 | -57.2 | 173.3 | -64.5 | 162 | 6.9 | 111.5 | M30 A40 D41 I42 L209 | M30-R38 HydrophobicContact CE-CG 4.24Å; R38-A40 PolarHBondContact O-N 2.84Å; R38-A40 VanDerWaalsContact O-N 3.15Å; R38-D41 WeakPolarHBondContact CB-OD2 3.34Å; R38-D41 IonicContact CZ-OD1 2.68Å; R38-D41 IonicContact CZ-OD2 3.11Å; R38-D41 VanDerWaalsContact CZ-OD2 3.26Å; R38-D41 IonicContact NE-OD1 3.34Å; R38-D41 IonicContact NE-OD2 3.17Å; R38-D41 PolarHBondContact NE-OD2 2.89Å; R38-D41 IonicContact NH2-OD1 2.69Å; R38-D41 PolarHBondContact NH2-OD1 2.88Å; R38-D41 IonicContact NH2-OD2 2.89Å; R38-D41 PolarHBondContact NH2-OD2 3.47Å; R38-D41 PolarHBondContact O-N 3.41Å; R38-I42 WeakPolarHBondContact O-CG1 3.05Å; R38-I42 PolarHBondContact O-N 3.03Å; R38-L209 VanDerWaalsContact NH1-CD1 3.32Å |
| 39 | A | 93.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -43.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D41 I42 T43 Y87 R201 E205 | A39-D41 PolarHBondContact O-N 2.73Å; A39-I42 PolarHBondContact O-N 2.97Å; A39-T43 WeakPolarHBondContact O-CA 3.34Å; A39-T43 PolarHBondContact O-N 2.76Å; A39-T43 PolarHBondContact O-OG1 3.41Å; A39-Y87 HydrophobicContact CB-CE1 4.37Å; A39-Y87 HydrophobicContact CB-CE2 4.4Å; A39-R201 HydrophobicContact CB-CB 4.21Å; A39-E205 WeakPolarHBondContact CB-OE2 3.39Å; A39-E205 PolarHBondContact N-OE2 3.36Å |
| 40 | A | 92.8 | Very high | 86.4 | Confident | 57 Ų | 57 | 58.5 Ų | 58.5 | 47% | 0.471 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -35.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | R38 T202 | R38-A40 PolarHBondContact O-N 2.84Å; R38-A40 VanDerWaalsContact O-N 3.15Å; A40-T202 HydrophobicContact CB-CG2 4.17Å |
| 41 | D | 92.9 | Very high | 87.2 | Confident | 96 Ų | 96 | 57.5 Ų | 57.5 | 51% | 0.513 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -30.9 | -176.4 | -61.6 | -38.3 | 0 | 0 | 0 | 111.9 | R38 A39 | R38-D41 WeakPolarHBondContact CB-OD2 3.34Å; R38-D41 IonicContact CZ-OD1 2.68Å; R38-D41 IonicContact CZ-OD2 3.11Å; R38-D41 VanDerWaalsContact CZ-OD2 3.26Å; R38-D41 IonicContact NE-OD1 3.34Å; R38-D41 IonicContact NE-OD2 3.17Å; R38-D41 PolarHBondContact NE-OD2 2.89Å; R38-D41 IonicContact NH2-OD1 2.69Å; R38-D41 PolarHBondContact NH2-OD1 2.88Å; R38-D41 IonicContact NH2-OD2 2.89Å; R38-D41 PolarHBondContact NH2-OD2 3.47Å; R38-D41 PolarHBondContact O-N 3.41Å; A39-D41 PolarHBondContact O-N 2.73Å |
| 42 | I | 94.9 | Very high | 88.2 | Confident | 8 Ų | 8 | 56 Ų | 56 | 4% | 0.041 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -113.2 | 19.2 | -178.2 | 63.8 | 156.1 | 0 | 0 | 0 | 113.3 | P37 R38 A39 A44 D45 L46 N83 Y87 | P37-I42 HydrophobicContact CB-CG1 4.49Å; P37-I42 HydrophobicContact CB-CG2 3.73Å; P37-I42 HydrophobicContact CG-CD1 4.24Å; P37-I42 HydrophobicContact CG-CG2 4.34Å; R38-I42 WeakPolarHBondContact O-CG1 3.05Å; R38-I42 PolarHBondContact O-N 3.03Å; A39-I42 PolarHBondContact O-N 2.97Å; I42-A44 PolarHBondContact O-N 3.28Å; I42-A44 VanDerWaalsContact O-N 3.13Å; I42-D45 HydrophobicContact CB-CB 4.32Å; I42-D45 PolarHBondContact O-N 2.8Å; I42-L46 HydrophobicContact CD1-CD1 4.12Å; I42-L46 HydrophobicContact CD1-CD2 4.03Å; I42-L46 HydrophobicContact CD1-CG 3.89Å; I42-L46 HydrophobicContact CG1-CD1 3.97Å; I42-L46 HydrophobicContact CG1-CG 4.04Å; I42-L46 WeakPolarHBondContact O-CG 3.43Å; I42-L46 PolarHBondContact O-N 2.96Å; I42-N83 HydrophobicContact CD1-CB 4.46Å; I42-N83 HydrophobicContact CG2-CB 3.99Å; I42-Y87 HydrophobicContact CD1-CD1 4.25Å; I42-Y87 HydrophobicContact CD1-CG 3.95Å |
| 43 | T | 95.2 | Very high | 89.6 | Confident | 26 Ų | 26 | 53.2 Ų | 53.2 | 16% | 0.16 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -53.6 | -37.2 | -179.7 | -67.1 | 0 | 0 | 0 | 0 | 112.1 | A39 R47 I198 | A39-T43 WeakPolarHBondContact O-CA 3.34Å; A39-T43 PolarHBondContact O-N 2.76Å; A39-T43 PolarHBondContact O-OG1 3.41Å; T43-R47 HydrophobicContact CG2-CG 4.47Å; T43-R47 WeakPolarHBondContact O-CB 3.41Å; T43-R47 VanDerWaalsContact O-CG 3.32Å; T43-R47 WeakPolarHBondContact O-CG 3.47Å; T43-R47 PolarHBondContact O-N 2.82Å; T43-I198 HydrophobicContact CG2-CG2 4.15Å |
| 44 | A | 94.3 | Very high | 90.9 | Very high | 74 Ų | 74 | 45 Ų | 45 | 61% | 0.612 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -68.7 | -31.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | I42 | I42-A44 PolarHBondContact O-N 3.28Å; I42-A44 VanDerWaalsContact O-N 3.13Å |
| 45 | D | 95.7 | Very high | 91.9 | Very high | 19 Ų | 19 | 40.3 Ų | 40.3 | 10% | 0.102 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -77.7 | -42.7 | 176.4 | -59.9 | -7.6 | 0 | 0 | 0 | 110 | I42 K48 E80 N83 V84 | I42-D45 HydrophobicContact CB-CB 4.32Å; I42-D45 PolarHBondContact O-N 2.8Å; D45-K48 WeakPolarHBondContact O-CB 3.23Å; D45-K48 PolarHBondContact O-N 3.19Å; D45-E80 HydrophobicContact CB-CB 4.49Å; D45-N83 PolarHBondContact OD2-ND2 2.82Å; D45-V84 HydrophobicContact CB-CG2 3.66Å |
| 46 | L | 95.6 | Very high | 92.8 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59 | -48.4 | 177.4 | -69.3 | 171.7 | 0 | 0 | 0 | 111.4 | I42 K48 Q49 V84 Y87 H194 W197 I198 | I42-L46 HydrophobicContact CD1-CD1 4.12Å; I42-L46 HydrophobicContact CD1-CD2 4.03Å; I42-L46 HydrophobicContact CD1-CG 3.89Å; I42-L46 HydrophobicContact CG1-CD1 3.97Å; I42-L46 HydrophobicContact CG1-CG 4.04Å; I42-L46 WeakPolarHBondContact O-CG 3.43Å; I42-L46 PolarHBondContact O-N 2.96Å; L46-K48 PolarHBondContact O-N 2.87Å; L46-Q49 PolarHBondContact O-N 2.94Å; L46-V84 HydrophobicContact CD2-CG1 4.11Å; L46-V84 HydrophobicContact CD2-CG2 4.13Å; L46-Y87 HydrophobicContact CD1-CD1 4.11Å; L46-Y87 HydrophobicContact CD1-CE1 4.1Å; L46-Y87 HydrophobicContact CD2-CD1 3.89Å; L46-Y87 HydrophobicContact CD2-CE1 4.47Å; L46-H194 PolarHBondContact O-NE2 2.98Å; L46-W197 HydrophobicContact CD2-CZ3 4.46Å; L46-I198 HydrophobicContact CB-CD1 3.83Å; L46-I198 HydrophobicContact CB-CG1 4.3Å |
| 47 | R | 95.4 | Very high | 93.3 | Very high | 136 Ų | 136 | 34.3 Ų | 34.3 | 51% | 0.513 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -12.7 | 179.1 | -79.9 | -169.1 | 168.1 | 125.1 | 5.5 | 115.6 | T43 Q49 E195 I198 | T43-R47 HydrophobicContact CG2-CG 4.47Å; T43-R47 WeakPolarHBondContact O-CB 3.41Å; T43-R47 VanDerWaalsContact O-CG 3.32Å; T43-R47 WeakPolarHBondContact O-CG 3.47Å; T43-R47 PolarHBondContact O-N 2.82Å; R47-Q49 PolarHBondContact O-N 2.92Å; R47-E195 WeakPolarHBondContact CD-OE1 3.14Å; R47-E195 VanDerWaalsContact CG-OE1 3.32Å; R47-E195 WeakPolarHBondContact CG-OE1 3.27Å; R47-E195 IonicContact CZ-OE2 3.34Å; R47-E195 IonicContact NE-OE1 3.13Å; R47-E195 PolarHBondContact NE-OE1 3.26Å; R47-E195 IonicContact NE-OE2 2.66Å; R47-E195 PolarHBondContact NE-OE2 3.46Å; R47-E195 IonicContact NH2-OE2 3.17Å; R47-E195 PolarHBondContact NH2-OE2 2.96Å; R47-I198 HydrophobicContact CG-CD1 3.81Å |
| 48 | K | 94.6 | Very high | 93.4 | Very high | 72 Ų | 72 | 33.1 Ų | 33.1 | 31% | 0.313 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -15.8 | 171.4 | -57.7 | -171.7 | -173.5 | -170.1 | 0 | 112.7 | D45 L46 F50 F70 I76 E80 | D45-K48 WeakPolarHBondContact O-CB 3.23Å; D45-K48 PolarHBondContact O-N 3.19Å; L46-K48 PolarHBondContact O-N 2.87Å; K48-F50 HydrophobicContact CB-CD1 3.88Å; K48-F50 HydrophobicContact CB-CE1 4.41Å; K48-F50 PolarHBondContact O-N 3.27Å; K48-F70 WeakPolarHBondContact O-CE2 3.41Å; K48-I76 HydrophobicContact CB-CD1 4.49Å; K48-I76 HydrophobicContact CD-CD1 3.71Å; K48-E80 IonicContact NZ-OE1 3.82Å; K48-E80 PolarHBondContact NZ-OE1 2.73Å; K48-E80 IonicContact NZ-OE2 3.93Å; K48-E80 PolarHBondContact NZ-OE2 3.5Å |
| 49 | Q | 94.6 | Very high | 93.2 | Very high | 73 Ų | 73 | 35.7 Ų | 35.7 | 34% | 0.341 | 20% | 0.195 | S | C | . | . | trans | 51.7 | 21.2 | 175.9 | -154.3 | 179.3 | -9.9 | 0 | 0 | 115.6 | L46 R47 A51 F52 P68 | L46-Q49 PolarHBondContact O-N 2.94Å; R47-Q49 PolarHBondContact O-N 2.92Å; Q49-A51 PolarHBondContact O-N 2.86Å; Q49-F52 HydrophobicContact CG-CD1 3.93Å; Q49-P68 WeakPolarHBondContact O-CG 3.41Å | ||
| 50 | F | 93.9 | Very high | 92.8 | Very high | 1 Ų | 1 | 39 Ų | 39 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -68.4 | -15.7 | 178.5 | 67 | -99.8 | 0 | 0 | 0 | 113.3 | K48 F67 F70 F73 I76 F81 V84 | K48-F50 HydrophobicContact CB-CD1 3.88Å; K48-F50 HydrophobicContact CB-CE1 4.41Å; K48-F50 PolarHBondContact O-N 3.27Å; F50-F67 WeakPolarHBondContact O-CD1 3.42Å; F50-F70 HydrophobicContact CB-CD1 3.81Å; F50-F70 HydrophobicContact CB-CD2 4.35Å; F50-F70 HydrophobicContact CB-CE1 4.05Å; F50-F70 HydrophobicContact CB-CG 3.98Å; F50-F70 HydrophobicContact CB-CZ 4.42Å; F50-F73 HydrophobicContact CB-CD2 4.18Å; F50-F73 HydrophobicContact CB-CE2 4.38Å; F50-F73 HydrophobicContact CD2-CE2 4.14Å; F50-I76 HydrophobicContact CB-CG1 4.43Å; F50-I76 HydrophobicContact CD1-CD1 3.64Å; F50-I76 HydrophobicContact CD1-CG1 3.97Å; F50-I76 HydrophobicContact CD1-CG2 4.23Å; F50-I76 HydrophobicContact CE1-CD1 4.13Å; F50-I76 HydrophobicContact CE1-CG1 4.47Å; F50-I76 HydrophobicContact CE1-CG2 3.9Å; F50-I76 HydrophobicContact CE2-CG2 4.43Å; F50-I76 HydrophobicContact CG-CD1 4.29Å; F50-I76 HydrophobicContact CG-CG1 4.18Å; F50-I76 HydrophobicContact CZ-CG2 4Å; F50-F81 HydrophobicContact CD2-CD2 4.32Å; F50-F81 AromaticContact CE2-CD2 3.74Å; F50-F81 HydrophobicContact CE2-CD2 3.74Å; F50-F81 HydrophobicContact CE2-CE2 4.38Å; F50-V84 HydrophobicContact CE1-CB 4.36Å; F50-V84 HydrophobicContact CE1-CG2 3.94Å; F50-V84 HydrophobicContact CE2-CB 4.19Å; F50-V84 HydrophobicContact CE2-CG1 4.19Å; F50-V84 HydrophobicContact CZ-CB 3.62Å; F50-V84 HydrophobicContact CZ-CG1 3.97Å; F50-V84 HydrophobicContact CZ-CG2 3.67Å |
| 51 | A | 95.5 | Very high | 92.5 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 2% | 0.017 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -148.7 | 146.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q49 I65 V66 F67 V84 L85 L88 | Q49-A51 PolarHBondContact O-N 2.86Å; A51-I65 HydrophobicContact CB-CG2 4.43Å; A51-V66 CarbonylContact C-O 3.57Å; A51-V66 VanDerWaalsContact CA-O 3.27Å; A51-V66 WeakPolarHBondContact CA-O 3.32Å; A51-F67 HydrophobicContact CB-CD1 3.79Å; A51-F67 HydrophobicContact CB-CE1 3.74Å; A51-F67 HydrophobicContact CB-CG 4.34Å; A51-F67 HydrophobicContact CB-CZ 4.25Å; A51-V84 HydrophobicContact CB-CG1 4.39Å; A51-L85 HydrophobicContact CB-CD2 4.12Å; A51-L88 HydrophobicContact CB-CD1 3.93Å |
| 52 | F | 95.4 | Very high | 92.4 | Very high | 5 Ų | 5 | 33.2 Ų | 33.2 | 2% | 0.022 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 159.9 | 173.5 | 66.3 | -91.5 | 0 | 0 | 0 | 112.9 | Q49 I65 V66 P68 T183 Y192 | Q49-F52 HydrophobicContact CG-CD1 3.93Å; F52-I65 WeakPolarHBondContact O-CA 3.32Å; F52-V66 HydrophobicContact CD1-CB 4.31Å; F52-V66 HydrophobicContact CD2-CB 4.36Å; F52-V66 HydrophobicContact CE1-CB 3.92Å; F52-V66 HydrophobicContact CE1-CG1 3.76Å; F52-V66 HydrophobicContact CE2-CB 3.96Å; F52-V66 HydrophobicContact CE2-CG1 4.41Å; F52-V66 HydrophobicContact CE2-CG2 4.2Å; F52-V66 HydrophobicContact CZ-CB 3.73Å; F52-V66 HydrophobicContact CZ-CG1 3.7Å; F52-V66 HydrophobicContact CZ-CG2 4.26Å; F52-V66 PolarHBondContact N-O 3.36Å; F52-V66 PolarHBondContact O-N 3.12Å; F52-P68 HydrophobicContact CD1-CG 4.04Å; F52-P68 HydrophobicContact CE1-CB 4.05Å; F52-P68 HydrophobicContact CE1-CG 3.78Å; F52-T183 HydrophobicContact CE2-CG2 4.04Å; F52-T183 HydrophobicContact CZ-CG2 4.37Å; F52-Y192 HydrophobicContact CB-CE1 4.35Å; F52-Y192 AromaticContact CD2-CD1 3.87Å; F52-Y192 HydrophobicContact CD2-CD1 3.87Å; F52-Y192 AromaticContact CD2-CE1 3.36Å; F52-Y192 HydrophobicContact CD2-CE1 3.36Å; F52-Y192 HydrophobicContact CD2-CE2 4.39Å; F52-Y192 AromaticContact CD2-CZ 3.66Å; F52-Y192 AromaticContact CE2-CD1 3.71Å; F52-Y192 HydrophobicContact CE2-CD1 3.71Å; F52-Y192 AromaticContact CE2-CE1 3.7Å; F52-Y192 HydrophobicContact CE2-CE1 3.7Å; F52-Y192 HydrophobicContact CE2-CG 4.36Å; F52-Y192 AromaticContact CG-CE1 3.93Å; F52-Y192 HydrophobicContact CG-CE1 3.93Å; F52-Y192 HydrophobicContact CZ-CD1 4.45Å |
| 53 | L | 93 | Very high | 92.3 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 120 | 173 | 178.8 | 71.7 | 0 | 0 | 0 | 107.8 | P63 I65 L88 V91 P92 Y192 W197 | L53-P63 HydrophobicContact CD1-CB 4.16Å; L53-I65 HydrophobicContact CD1-CG1 4.25Å; L53-L88 HydrophobicContact CB-CD2 3.85Å; L53-V91 HydrophobicContact CD2-CB 4.02Å; L53-V91 HydrophobicContact CD2-CG1 3.74Å; L53-P92 HydrophobicContact CD2-CG 4.08Å; L53-Y192 VanDerWaalsContact O-CE2 3.22Å; L53-Y192 WeakPolarHBondContact O-CE2 3.45Å; L53-W197 HydrophobicContact CB-CZ2 4.29Å |
| 54 | S | 90.3 | Very high | 92.2 | Very high | 4 Ų | 4 | 31.6 Ų | 31.6 | 3% | 0.028 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | -9.4 | -172.9 | 71 | 0 | 0 | 0 | 0 | 115 | G56 Q190 | S54-G56 VanDerWaalsContact C-N 3.32Å; S54-G56 PolarHBondContact OG-N 3.29Å; S54-G56 VanDerWaalsContact OG-N 3.1Å; S54-Q190 PolarHBondContact O-NE2 3.48Å; S54-Q190 PolarHBondContact OG-OE1 2.95Å |
| 55 | G | 89.4 | Confident | 92.3 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 94.2 | -22.7 | -161.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | R57 N282 D284 | G55-R57 PolarHBondContact O-NH1 2.89Å; G55-N282 WeakPolarHBondContact CA-OD1 3.35Å; G55-D284 WeakPolarHBondContact CA-OD2 3.42Å |
| 56 | G | 91.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 144 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114 | S54 I64 Q190 | S54-G56 VanDerWaalsContact C-N 3.32Å; S54-G56 PolarHBondContact OG-N 3.29Å; S54-G56 VanDerWaalsContact OG-N 3.1Å; G56-I64 WeakPolarHBondContact O-CB 3.45Å; G56-I64 WeakPolarHBondContact O-CG1 3.43Å; G56-I64 PolarHBondContact O-N 2.87Å; G56-Q190 VanDerWaalsContact N-NE2 3.14Å |
| 57 | R | 91.7 | Very high | 92.3 | Very high | 19 Ų | 19 | 27.3 Ų | 27.3 | 7% | 0.072 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 151.4 | 177.8 | -58.8 | -53.6 | -158.6 | -104.3 | 8.3 | 112.5 | G55 G61 S62 Q181 D284 | G55-R57 PolarHBondContact O-NH1 2.89Å; R57-G61 WeakPolarHBondContact CD-O 3.09Å; R57-S62 CarbonylContact C-O 3.6Å; R57-S62 WeakPolarHBondContact CA-O 3.5Å; R57-Q181 VanDerWaalsContact O-CB 3.29Å; R57-Q181 WeakPolarHBondContact O-CB 3.34Å; R57-Q181 VanDerWaalsContact O-CG 3.28Å; R57-Q181 WeakPolarHBondContact O-CG 3.21Å; R57-D284 IonicContact CZ-OD1 3.71Å; R57-D284 IonicContact CZ-OD2 3.87Å; R57-D284 IonicContact NH1-OD1 3.91Å; R57-D284 PolarHBondContact NH1-OD1 3.11Å; R57-D284 VanDerWaalsContact NH1-OD1 3.14Å; R57-D284 IonicContact NH1-OD2 2.64Å; R57-D284 PolarHBondContact NH1-OD2 3.29Å; R57-D284 IonicContact NH2-OD1 2.83Å; R57-D284 PolarHBondContact NH2-OD1 2.9Å; R57-D284 IonicContact NH2-OD2 3.92Å |
| 58 | G | 90.4 | Very high | 92.2 | Very high | 7 Ų | 7 | 22 Ų | 22 | 7% | 0.072 | 12% | 0.122 | C | C | . | . | trans | -77.1 | 170.1 | 162.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N60 G61 S62 | G58-N60 PolarHBondContact O-N 3.48Å; G58-G61 PolarHBondContact O-N 2.9Å; G58-S62 PolarHBondContact N-O 3.48Å | ||
| 59 | D | 86.4 | Confident | 91.9 | Very high | 147 Ų | 147 | 22.5 Ų | 22.5 | 79% | 0.786 | 13% | 0.126 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -21.5 | -177.2 | -58.4 | 0.2 | 0 | 0 | 0 | 115.1 | ||
| 60 | N | 84.2 | Confident | 91.6 | Very high | 69 Ų | 69 | 21.1 Ų | 21.1 | 37% | 0.369 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 6.8 | -179.8 | 65 | -33.2 | 0 | 0 | 0 | 114 | G58 S62 V99 Q131 | G58-N60 PolarHBondContact O-N 3.48Å; N60-S62 PolarHBondContact ND2-OG 2.98Å; N60-S62 WeakPolarHBondContact OD1-CB 3.33Å; N60-S62 PolarHBondContact OD1-N 2.86Å; N60-S62 PolarHBondContact OD1-OG 2.91Å; N60-V99 HydrophobicContact CB-CG1 4.39Å; N60-V99 WeakPolarHBondContact ND2-CG1 3.15Å; N60-Q131 VanDerWaalsContact ND2-CD 3.3Å; N60-Q131 PolarHBondContact ND2-NE2 2.81Å; N60-Q131 PolarHBondContact ND2-OE1 2.84Å; N60-Q131 VanDerWaalsContact ND2-OE1 3.08Å |
| 61 | G | 86.9 | Confident | 91.1 | Very high | 32 Ų | 32 | 26.7 Ų | 26.7 | 33% | 0.33 | 16% | 0.155 | S | C | . | . | S | Bend | trans | 86.1 | 0.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | R57 G58 | R57-G61 WeakPolarHBondContact CD-O 3.09Å; G58-G61 PolarHBondContact O-N 2.9Å |
| 62 | S | 90.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | P | Polyproline II helix | trans | -63.6 | 128.4 | -178.9 | -80.6 | 0 | 0 | 0 | 0 | 112.8 | R57 G58 N60 V99 G100 Q131 | R57-S62 CarbonylContact C-O 3.6Å; R57-S62 WeakPolarHBondContact CA-O 3.5Å; G58-S62 PolarHBondContact N-O 3.48Å; N60-S62 PolarHBondContact ND2-OG 2.98Å; N60-S62 WeakPolarHBondContact OD1-CB 3.33Å; N60-S62 PolarHBondContact OD1-N 2.86Å; N60-S62 PolarHBondContact OD1-OG 2.91Å; S62-V99 WeakPolarHBondContact OG-CG1 3.47Å; S62-G100 WeakPolarHBondContact CB-O 3.44Å; S62-G100 PolarHBondContact OG-O 3.48Å; S62-Q131 PolarHBondContact OG-OE1 3.24Å; S62-Q131 VanDerWaalsContact OG-OE1 3.09Å |
| 63 | P | 93.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 138 | 179.1 | -21.7 | 32.8 | 0 | 0 | 0 | 113.5 | L53 P92 F101 I102 | L53-P63 HydrophobicContact CD1-CB 4.16Å; P63-P92 HydrophobicContact CB-CB 4.49Å; P63-P92 HydrophobicContact CB-CG 4.02Å; P63-P92 HydrophobicContact CG-CB 3.86Å; P63-P92 HydrophobicContact CG-CG 3.89Å; P63-F101 HydrophobicContact CB-CD1 3.92Å; P63-F101 HydrophobicContact CB-CE1 3.91Å; P63-F101 HydrophobicContact CG-CD1 4.43Å; P63-F101 HydrophobicContact CG-CE1 4.22Å; P63-I102 PolarHBondContact O-N 3.49Å |
| 64 | I | 94.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 116.4 | 178.3 | -58.6 | 166.1 | 0 | 0 | 0 | 110.7 | G56 V66 I102 V104 I177 Q181 | G56-I64 WeakPolarHBondContact O-CB 3.45Å; G56-I64 WeakPolarHBondContact O-CG1 3.43Å; G56-I64 PolarHBondContact O-N 2.87Å; I64-V66 HydrophobicContact CG2-CG2 4.12Å; I64-I102 WeakPolarHBondContact CA-O 3.46Å; I64-I102 HydrophobicContact CG1-CB 4.24Å; I64-V104 HydrophobicContact CG2-CG2 3.84Å; I64-I177 HydrophobicContact CD1-CD1 3.91Å; I64-I177 HydrophobicContact CD1-CG1 4.42Å; I64-I177 HydrophobicContact CD1-CG2 3.54Å; I64-I177 HydrophobicContact CG1-CD1 4.36Å; I64-Q181 HydrophobicContact CD1-CB 4.24Å |
| 65 | I | 95.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 124.5 | 167 | -65.9 | 172.4 | 0 | 0 | 0 | 108.9 | A51 F52 L53 F67 L88 T89 F101 I102 L103 V104 F126 | A51-I65 HydrophobicContact CB-CG2 4.43Å; F52-I65 WeakPolarHBondContact O-CA 3.32Å; L53-I65 HydrophobicContact CD1-CG1 4.25Å; I65-F67 HydrophobicContact CG2-CD2 4.42Å; I65-F67 HydrophobicContact CG2-CE2 4.06Å; I65-L88 HydrophobicContact CD1-CB 4.11Å; I65-L88 HydrophobicContact CG2-CD1 4.42Å; I65-T89 HydrophobicContact CD1-CG2 4.2Å; I65-F101 HydrophobicContact CD1-CD1 3.6Å; I65-F101 HydrophobicContact CD1-CE1 3.86Å; I65-F101 HydrophobicContact CD1-CG 4.43Å; I65-F101 HydrophobicContact CG1-CD1 4.02Å; I65-F101 HydrophobicContact CG1-CE1 4.42Å; I65-I102 PolarHBondContact N-O 3.05Å; I65-L103 HydrophobicContact CB-CD2 3.84Å; I65-L103 HydrophobicContact CG2-CD2 4.32Å; I65-L103 WeakPolarHBondContact O-CA 3.47Å; I65-V104 PolarHBondContact O-N 2.9Å; I65-F126 HydrophobicContact CD1-CE2 4.16Å; I65-F126 HydrophobicContact CD1-CZ 4.14Å |
| 66 | V | 96.1 | Very high | 89.9 | Confident | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.024 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 126.5 | 178.9 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | A51 F52 I64 P68 V104 L186 | A51-V66 CarbonylContact C-O 3.57Å; A51-V66 VanDerWaalsContact CA-O 3.27Å; A51-V66 WeakPolarHBondContact CA-O 3.32Å; F52-V66 HydrophobicContact CD1-CB 4.31Å; F52-V66 HydrophobicContact CD2-CB 4.36Å; F52-V66 HydrophobicContact CE1-CB 3.92Å; F52-V66 HydrophobicContact CE1-CG1 3.76Å; F52-V66 HydrophobicContact CE2-CB 3.96Å; F52-V66 HydrophobicContact CE2-CG1 4.41Å; F52-V66 HydrophobicContact CE2-CG2 4.2Å; F52-V66 HydrophobicContact CZ-CB 3.73Å; F52-V66 HydrophobicContact CZ-CG1 3.7Å; F52-V66 HydrophobicContact CZ-CG2 4.26Å; F52-V66 PolarHBondContact N-O 3.36Å; F52-V66 PolarHBondContact O-N 3.12Å; I64-V66 HydrophobicContact CG2-CG2 4.12Å; V66-P68 WeakPolarHBondContact O-CD 3.36Å; V66-V104 CarbonylContact C-O 3.55Å; V66-V104 WeakPolarHBondContact CA-O 3.36Å; V66-L186 HydrophobicContact CG1-CD1 3.88Å; V66-L186 HydrophobicContact CG2-CD1 4.01Å |
| 67 | F | 95.3 | Very high | 90 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 95.7 | 162.9 | -67.3 | -98.8 | 0 | 0 | 0 | 107.5 | F50 A51 I65 F73 F81 L85 L103 V104 I105 D106 I122 | F50-F67 WeakPolarHBondContact O-CD1 3.42Å; A51-F67 HydrophobicContact CB-CD1 3.79Å; A51-F67 HydrophobicContact CB-CE1 3.74Å; A51-F67 HydrophobicContact CB-CG 4.34Å; A51-F67 HydrophobicContact CB-CZ 4.25Å; I65-F67 HydrophobicContact CG2-CD2 4.42Å; I65-F67 HydrophobicContact CG2-CE2 4.06Å; F67-F73 HydrophobicContact CD1-CE2 4.1Å; F67-F73 HydrophobicContact CD1-CZ 4.44Å; F67-F81 HydrophobicContact CE1-CE2 4.02Å; F67-F81 HydrophobicContact CE1-CZ 4.47Å; F67-L85 HydrophobicContact CE1-CD2 4.08Å; F67-L85 HydrophobicContact CZ-CD1 4.28Å; F67-L85 HydrophobicContact CZ-CD2 3.65Å; F67-L103 HydrophobicContact CE2-CD1 4.05Å; F67-L103 HydrophobicContact CE2-CD2 4.14Å; F67-L103 HydrophobicContact CE2-CG 4.48Å; F67-V104 PolarHBondContact N-O 3.09Å; F67-I105 HydrophobicContact CB-CG1 4.28Å; F67-I105 HydrophobicContact CB-CG2 4.46Å; F67-I105 HydrophobicContact CD2-CG1 3.96Å; F67-I105 HydrophobicContact CG-CG1 4.38Å; F67-D106 PolarHBondContact O-N 3.42Å; F67-I122 HydrophobicContact CD1-CD1 4.42Å; F67-I122 HydrophobicContact CD2-CD1 4.16Å; F67-I122 HydrophobicContact CE1-CD1 4Å; F67-I122 HydrophobicContact CE1-CG1 4.2Å; F67-I122 HydrophobicContact CE2-CD1 3.72Å; F67-I122 HydrophobicContact CE2-CG1 4.36Å; F67-I122 HydrophobicContact CG-CD1 4.48Å; F67-I122 HydrophobicContact CZ-CD1 3.62Å; F67-I122 HydrophobicContact CZ-CG1 3.82Å |
| 68 | P | 93.4 | Very high | 90 | Very high | 26 Ų | 26 | 47 Ų | 47 | 17% | 0.169 | 28% | 0.282 | C | S | . | . | trans | -68.6 | 170.6 | -178.9 | 31 | -36.7 | 0 | 0 | 0 | 111.5 | Q49 F52 V66 F70 R107 | Q49-P68 WeakPolarHBondContact O-CG 3.41Å; F52-P68 HydrophobicContact CD1-CG 4.04Å; F52-P68 HydrophobicContact CE1-CB 4.05Å; F52-P68 HydrophobicContact CE1-CG 3.78Å; V66-P68 WeakPolarHBondContact O-CD 3.36Å; P68-F70 PolarHBondContact O-N 2.88Å; P68-F70 VanDerWaalsContact O-N 3.17Å; P68-R107 PolarHBondContact O-NH1 3.22Å | ||
| 69 | E | 87.6 | Confident | 90 | Very high | 82 Ų | 82 | 55.2 Ų | 55.2 | 38% | 0.383 | 31% | 0.311 | S | S | . | . | trans | -56.8 | 118.5 | 169.1 | -172.6 | 177.9 | 140.5 | 0 | 0 | 110.2 | D106 Q109 | E69-D106 PolarHBondContact N-O 3.12Å; E69-Q109 VanDerWaalsContact CD-CG 3.49Å; E69-Q109 WeakPolarHBondContact OE1-CB 3.47Å; E69-Q109 VanDerWaalsContact OE1-CG 3.23Å; E69-Q109 WeakPolarHBondContact OE1-CG 3.37Å; E69-Q109 WeakPolarHBondContact OE2-CG 3.27Å | ||
| 70 | F | 88.9 | Confident | 90.4 | Very high | 43 Ų | 43 | 49.4 Ų | 49.4 | 19% | 0.189 | 28% | 0.28 | C | S | . | . | trans | -144.4 | 92.2 | -173.5 | -172.4 | -98.5 | 0 | 0 | 0 | 109.8 | K48 F50 P68 A72 F73 I76 | K48-F70 WeakPolarHBondContact O-CE2 3.41Å; F50-F70 HydrophobicContact CB-CD1 3.81Å; F50-F70 HydrophobicContact CB-CD2 4.35Å; F50-F70 HydrophobicContact CB-CE1 4.05Å; F50-F70 HydrophobicContact CB-CG 3.98Å; F50-F70 HydrophobicContact CB-CZ 4.42Å; P68-F70 PolarHBondContact O-N 2.88Å; P68-F70 VanDerWaalsContact O-N 3.17Å; F70-A72 HydrophobicContact CD1-CB 4.46Å; F70-A72 HydrophobicContact CE1-CB 3.8Å; F70-A72 HydrophobicContact CZ-CB 4.12Å; F70-A72 PolarHBondContact O-N 2.86Å; F70-A72 VanDerWaalsContact O-N 3.14Å; F70-F73 HydrophobicContact CD1-CB 3.97Å; F70-F73 HydrophobicContact CD1-CD2 4.27Å; F70-F73 WeakPolarHBondContact O-CB 3.21Å; F70-F73 PolarHBondContact O-N 3.01Å; F70-F73 VanDerWaalsContact O-N 3.09Å; F70-I76 HydrophobicContact CE1-CD1 3.77Å; F70-I76 HydrophobicContact CE1-CG1 3.88Å; F70-I76 HydrophobicContact CZ-CD1 4.11Å | ||
| 71 | P | 83.7 | Confident | 90.9 | Very high | 119 Ų | 119 | 46.2 Ų | 46.2 | 77% | 0.773 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -29.4 | -171.3 | -29 | 36.7 | 0 | 0 | 0 | 115.1 | F73 | P71-F73 VanDerWaalsContact C-N 3.27Å; P71-F73 PolarHBondContact O-N 2.8Å |
| 72 | A | 85.1 | Confident | 91.2 | Very high | 32 Ų | 32 | 49 Ų | 49 | 26% | 0.264 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 17.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | F70 G74 E75 | F70-A72 HydrophobicContact CD1-CB 4.46Å; F70-A72 HydrophobicContact CE1-CB 3.8Å; F70-A72 HydrophobicContact CZ-CB 4.12Å; F70-A72 PolarHBondContact O-N 2.86Å; F70-A72 VanDerWaalsContact O-N 3.14Å; A72-G74 PolarHBondContact O-N 2.93Å; A72-G74 VanDerWaalsContact O-N 3.11Å; A72-E75 WeakPolarHBondContact O-CB 3.5Å; A72-E75 PolarHBondContact O-N 3.19Å |
| 73 | F | 87.1 | Confident | 91.3 | Very high | 13 Ų | 13 | 50.7 Ų | 50.7 | 6% | 0.057 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -26.8 | -173.6 | -167 | -94.6 | 0 | 0 | 0 | 114.2 | F50 F67 F70 P71 E75 F81 T118 R121 | F50-F73 HydrophobicContact CB-CD2 4.18Å; F50-F73 HydrophobicContact CB-CE2 4.38Å; F50-F73 HydrophobicContact CD2-CE2 4.14Å; F67-F73 HydrophobicContact CD1-CE2 4.1Å; F67-F73 HydrophobicContact CD1-CZ 4.44Å; F70-F73 HydrophobicContact CD1-CB 3.97Å; F70-F73 HydrophobicContact CD1-CD2 4.27Å; F70-F73 WeakPolarHBondContact O-CB 3.21Å; F70-F73 PolarHBondContact O-N 3.01Å; F70-F73 VanDerWaalsContact O-N 3.09Å; P71-F73 VanDerWaalsContact C-N 3.27Å; P71-F73 PolarHBondContact O-N 2.8Å; F73-E75 VanDerWaalsContact C-N 3.27Å; F73-E75 PolarHBondContact O-N 2.87Å; F73-F81 HydrophobicContact CE2-CE2 4.29Å; F73-F81 HydrophobicContact CZ-CD2 4.31Å; F73-F81 AromaticContact CZ-CE2 3.69Å; F73-F81 HydrophobicContact CZ-CE2 3.69Å; F73-T118 HydrophobicContact CE1-CG2 3.92Å; F73-T118 HydrophobicContact CZ-CG2 3.87Å; F73-R121 PolarHBondContact O-NH1 2.94Å |
| 74 | G | 82.7 | Confident | 91.4 | Very high | 74 Ų | 74 | 50.8 Ų | 50.8 | 76% | 0.763 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -17.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | A72 | A72-G74 PolarHBondContact O-N 2.93Å; A72-G74 VanDerWaalsContact O-N 3.11Å |
| 75 | E | 89.4 | Confident | 91.4 | Very high | 162 Ų | 162 | 50.8 Ų | 50.8 | 76% | 0.757 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -16.7 | -177.6 | -57.3 | 176.8 | -176.5 | 0 | 0 | 112.5 | A72 F73 T77 | A72-E75 WeakPolarHBondContact O-CB 3.5Å; A72-E75 PolarHBondContact O-N 3.19Å; F73-E75 VanDerWaalsContact C-N 3.27Å; F73-E75 PolarHBondContact O-N 2.87Å; E75-T77 PolarHBondContact O-N 3.06Å |
| 76 | I | 93 | Very high | 91.2 | Very high | 8 Ų | 8 | 52 Ų | 52 | 4% | 0.041 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -60.5 | 130.6 | 171.3 | -57.1 | -59.7 | 0 | 0 | 0 | 109.1 | K48 F50 F70 E80 F81 R121 | K48-I76 HydrophobicContact CB-CD1 4.49Å; K48-I76 HydrophobicContact CD-CD1 3.71Å; F50-I76 HydrophobicContact CB-CG1 4.43Å; F50-I76 HydrophobicContact CD1-CD1 3.64Å; F50-I76 HydrophobicContact CD1-CG1 3.97Å; F50-I76 HydrophobicContact CD1-CG2 4.23Å; F50-I76 HydrophobicContact CE1-CD1 4.13Å; F50-I76 HydrophobicContact CE1-CG1 4.47Å; F50-I76 HydrophobicContact CE1-CG2 3.9Å; F50-I76 HydrophobicContact CE2-CG2 4.43Å; F50-I76 HydrophobicContact CG-CD1 4.29Å; F50-I76 HydrophobicContact CG-CG1 4.18Å; F50-I76 HydrophobicContact CZ-CG2 4Å; F70-I76 HydrophobicContact CE1-CD1 3.77Å; F70-I76 HydrophobicContact CE1-CG1 3.88Å; F70-I76 HydrophobicContact CZ-CD1 4.11Å; I76-E80 HydrophobicContact CG2-CB 4.12Å; I76-F81 HydrophobicContact CG2-CB 4.11Å; I76-R121 PolarHBondContact O-NH1 3.47Å; I76-R121 PolarHBondContact O-NH2 2.83Å |
| 77 | T | 94.1 | Very high | 91.1 | Very high | 65 Ų | 65 | 52 Ų | 52 | 40% | 0.399 | 28% | 0.283 | S | S | . | . | trans | -79.9 | 156.3 | 176.9 | 66.7 | 0 | 0 | 0 | 0 | 111.5 | E75 R79 E80 F81 | E75-T77 PolarHBondContact O-N 3.06Å; T77-R79 PolarHBondContact O-N 3.07Å; T77-E80 WeakPolarHBondContact CB-OE2 3.32Å; T77-E80 PolarHBondContact N-OE2 2.92Å; T77-E80 PolarHBondContact O-N 2.73Å; T77-E80 WeakPolarHBondContact OG1-CG 3.23Å; T77-E80 PolarHBondContact OG1-N 2.96Å; T77-E80 PolarHBondContact OG1-OE2 3.16Å; T77-F81 WeakPolarHBondContact O-CB 3.24Å; T77-F81 PolarHBondContact O-N 3.24Å | ||
| 78 | D | 91.3 | Very high | 90.9 | Very high | 104 Ų | 104 | 52 Ų | 52 | 56% | 0.556 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -63.2 | -26.8 | -179.9 | -60.3 | -51.2 | 0 | 0 | 0 | 112.9 | H82 R121 | D78-H82 VanDerWaalsContact O-CB 3.26Å; D78-H82 WeakPolarHBondContact O-CB 3.49Å; D78-H82 PolarHBondContact O-N 2.77Å; D78-R121 IonicContact OD1-CZ 2.6Å; D78-R121 IonicContact OD1-NE 2.93Å; D78-R121 PolarHBondContact OD1-NE 2.9Å; D78-R121 IonicContact OD1-NH2 3.41Å; D78-R121 PolarHBondContact OD1-NH2 2.94Å; D78-R121 IonicContact OD2-NH2 2.74Å |
| 79 | R | 92.1 | Very high | 90.8 | Very high | 179 Ų | 179 | 51.6 Ų | 51.6 | 68% | 0.675 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -67.3 | -50.1 | 174.1 | -174.1 | -177 | 68.7 | -163.8 | -0.7 | 111.7 | T77 F81 H82 N83 | T77-R79 PolarHBondContact O-N 3.07Å; R79-F81 VanDerWaalsContact C-N 3.32Å; R79-F81 PolarHBondContact O-N 2.48Å; R79-H82 PolarHBondContact O-N 3.43Å; R79-N83 WeakPolarHBondContact O-CB 3.08Å; R79-N83 PolarHBondContact O-N 2.83Å; R79-N83 PolarHBondContact O-OD1 3.41Å |
| 80 | E | 94.3 | Very high | 90.9 | Very high | 26 Ų | 26 | 48.5 Ų | 48.5 | 12% | 0.121 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.6 | -40.5 | 179.5 | -62.9 | 161.1 | 143.1 | 0 | 0 | 110.6 | D45 K48 I76 T77 N83 V84 | D45-E80 HydrophobicContact CB-CB 4.49Å; K48-E80 IonicContact NZ-OE1 3.82Å; K48-E80 PolarHBondContact NZ-OE1 2.73Å; K48-E80 IonicContact NZ-OE2 3.93Å; K48-E80 PolarHBondContact NZ-OE2 3.5Å; I76-E80 HydrophobicContact CG2-CB 4.12Å; T77-E80 WeakPolarHBondContact CB-OE2 3.32Å; T77-E80 PolarHBondContact N-OE2 2.92Å; T77-E80 PolarHBondContact O-N 2.73Å; T77-E80 WeakPolarHBondContact OG1-CG 3.23Å; T77-E80 PolarHBondContact OG1-N 2.96Å; T77-E80 PolarHBondContact OG1-OE2 3.16Å; E80-N83 PolarHBondContact O-N 3.25Å; E80-V84 WeakPolarHBondContact O-CG2 3.21Å; E80-V84 PolarHBondContact O-N 2.71Å; E80-V84 VanDerWaalsContact O-N 3.09Å |
| 81 | F | 94 | Very high | 90.9 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59 | -47.4 | 174 | -171.6 | -105.9 | 0 | 0 | 0 | 112.1 | F50 F67 F73 I76 T77 R79 L85 R121 I122 | F50-F81 HydrophobicContact CD2-CD2 4.32Å; F50-F81 AromaticContact CE2-CD2 3.74Å; F50-F81 HydrophobicContact CE2-CD2 3.74Å; F50-F81 HydrophobicContact CE2-CE2 4.38Å; F67-F81 HydrophobicContact CE1-CE2 4.02Å; F67-F81 HydrophobicContact CE1-CZ 4.47Å; F73-F81 HydrophobicContact CE2-CE2 4.29Å; F73-F81 HydrophobicContact CZ-CD2 4.31Å; F73-F81 AromaticContact CZ-CE2 3.69Å; F73-F81 HydrophobicContact CZ-CE2 3.69Å; I76-F81 HydrophobicContact CG2-CB 4.11Å; T77-F81 WeakPolarHBondContact O-CB 3.24Å; T77-F81 PolarHBondContact O-N 3.24Å; R79-F81 VanDerWaalsContact C-N 3.32Å; R79-F81 PolarHBondContact O-N 2.48Å; F81-L85 HydrophobicContact CD1-CD1 4.07Å; F81-L85 HydrophobicContact CD2-CD1 4.41Å; F81-L85 HydrophobicContact CE1-CD1 3.52Å; F81-L85 HydrophobicContact CE2-CD1 3.89Å; F81-L85 HydrophobicContact CG-CD1 4.49Å; F81-L85 HydrophobicContact CZ-CD1 3.43Å; F81-L85 VanDerWaalsContact CZ-CD1 3.43Å; F81-L85 WeakPolarHBondContact O-CB 3.28Å; F81-L85 WeakPolarHBondContact O-CG 3.32Å; F81-L85 PolarHBondContact O-N 2.9Å; F81-R121 HydrophobicContact CD1-CG 3.95Å; F81-R121 HydrophobicContact CE1-CB 4.17Å; F81-R121 HydrophobicContact CE1-CG 3.71Å; F81-R121 HydrophobicContact CG-CG 4.48Å; F81-R121 HydrophobicContact CZ-CB 4.14Å; F81-R121 HydrophobicContact CZ-CG 4.06Å; F81-I122 HydrophobicContact CZ-CG1 3.9Å |
| 82 | H | 92.8 | Very high | 91 | Very high | 92 Ų | 92 | 41.8 Ų | 41.8 | 43% | 0.426 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -67.1 | -45.5 | 177.2 | -177.8 | 67.9 | 0 | 0 | 0 | 112.4 | D78 R79 V84 L85 T86 | D78-H82 VanDerWaalsContact O-CB 3.26Å; D78-H82 WeakPolarHBondContact O-CB 3.49Å; D78-H82 PolarHBondContact O-N 2.77Å; R79-H82 PolarHBondContact O-N 3.43Å; H82-V84 PolarHBondContact O-N 2.99Å; H82-L85 PolarHBondContact O-N 3.17Å; H82-T86 PolarHBondContact CE1-OG1 3.43Å; H82-T86 PolarHBondContact NE2-OG1 3.43Å; H82-T86 VanDerWaalsContact O-CB 3.31Å; H82-T86 WeakPolarHBondContact O-CB 3.12Å; H82-T86 PolarHBondContact O-N 3.02Å; H82-T86 PolarHBondContact O-OG1 3.1Å |
| 83 | N | 93.6 | Very high | 90.6 | Very high | 35 Ų | 35 | 41.7 Ų | 41.7 | 19% | 0.187 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -51.7 | -55.4 | 177.7 | -79.4 | -4.5 | 0 | 0 | 0 | 111.7 | I42 D45 R79 E80 Y87 | I42-N83 HydrophobicContact CD1-CB 4.46Å; I42-N83 HydrophobicContact CG2-CB 3.99Å; D45-N83 PolarHBondContact OD2-ND2 2.82Å; R79-N83 WeakPolarHBondContact O-CB 3.08Å; R79-N83 PolarHBondContact O-N 2.83Å; R79-N83 PolarHBondContact O-OD1 3.41Å; E80-N83 PolarHBondContact O-N 3.25Å; N83-Y87 WeakPolarHBondContact O-CB 3.29Å; N83-Y87 PolarHBondContact O-N 2.87Å; N83-Y87 VanDerWaalsContact O-N 3.08Å |
| 84 | V | 94.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.2 | -43.2 | -176.9 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | D45 L46 F50 A51 E80 H82 Y87 L88 | D45-V84 HydrophobicContact CB-CG2 3.66Å; L46-V84 HydrophobicContact CD2-CG1 4.11Å; L46-V84 HydrophobicContact CD2-CG2 4.13Å; F50-V84 HydrophobicContact CE1-CB 4.36Å; F50-V84 HydrophobicContact CE1-CG2 3.94Å; F50-V84 HydrophobicContact CE2-CB 4.19Å; F50-V84 HydrophobicContact CE2-CG1 4.19Å; F50-V84 HydrophobicContact CZ-CB 3.62Å; F50-V84 HydrophobicContact CZ-CG1 3.97Å; F50-V84 HydrophobicContact CZ-CG2 3.67Å; A51-V84 HydrophobicContact CB-CG1 4.39Å; E80-V84 WeakPolarHBondContact O-CG2 3.21Å; E80-V84 PolarHBondContact O-N 2.71Å; E80-V84 VanDerWaalsContact O-N 3.09Å; H82-V84 PolarHBondContact O-N 2.99Å; V84-Y87 PolarHBondContact O-N 3.41Å; V84-L88 HydrophobicContact CG1-CD1 3.64Å; V84-L88 HydrophobicContact CG1-CG 4.15Å; V84-L88 WeakPolarHBondContact O-CB 3.36Å; V84-L88 VanDerWaalsContact O-CG 3.24Å; V84-L88 WeakPolarHBondContact O-CG 3.43Å; V84-L88 PolarHBondContact O-N 3.19Å |
| 85 | L | 93.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.1 | -43.1 | -179.7 | -68.3 | -175.8 | 0 | 0 | 0 | 112.8 | A51 F67 F81 H82 Y87 L88 T89 F126 P127 | A51-L85 HydrophobicContact CB-CD2 4.12Å; F67-L85 HydrophobicContact CE1-CD2 4.08Å; F67-L85 HydrophobicContact CZ-CD1 4.28Å; F67-L85 HydrophobicContact CZ-CD2 3.65Å; F81-L85 HydrophobicContact CD1-CD1 4.07Å; F81-L85 HydrophobicContact CD2-CD1 4.41Å; F81-L85 HydrophobicContact CE1-CD1 3.52Å; F81-L85 HydrophobicContact CE2-CD1 3.89Å; F81-L85 HydrophobicContact CG-CD1 4.49Å; F81-L85 HydrophobicContact CZ-CD1 3.43Å; F81-L85 VanDerWaalsContact CZ-CD1 3.43Å; F81-L85 WeakPolarHBondContact O-CB 3.28Å; F81-L85 WeakPolarHBondContact O-CG 3.32Å; F81-L85 PolarHBondContact O-N 2.9Å; H82-L85 PolarHBondContact O-N 3.17Å; L85-Y87 VanDerWaalsContact C-N 3.29Å; L85-Y87 PolarHBondContact O-N 3.42Å; L85-L88 PolarHBondContact O-N 2.95Å; L85-T89 WeakPolarHBondContact O-CG2 3.19Å; L85-T89 PolarHBondContact O-N 3.45Å; L85-T89 PolarHBondContact O-OG1 3.2Å; L85-F126 HydrophobicContact CD1-CD2 4.12Å; L85-F126 HydrophobicContact CD2-CE2 4.5Å; L85-P127 HydrophobicContact CB-CG 4.44Å |
| 86 | T | 92.4 | Very high | 88.1 | Confident | 26 Ų | 26 | 40.2 Ų | 40.2 | 16% | 0.16 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.4 | -45.3 | 174.9 | -63.1 | 0 | 0 | 0 | 0 | 110.6 | P36 H82 T89 S90 | P36-T86 HydrophobicContact CB-CG2 4.32Å; H82-T86 PolarHBondContact CE1-OG1 3.43Å; H82-T86 PolarHBondContact NE2-OG1 3.43Å; H82-T86 VanDerWaalsContact O-CB 3.31Å; H82-T86 WeakPolarHBondContact O-CB 3.12Å; H82-T86 PolarHBondContact O-N 3.02Å; H82-T86 PolarHBondContact O-OG1 3.1Å; T86-T89 PolarHBondContact O-N 2.98Å; T86-T89 PolarHBondContact O-OG1 2.92Å; T86-S90 PolarHBondContact O-N 3.1Å; T86-S90 VanDerWaalsContact O-N 3.16Å; T86-S90 PolarHBondContact O-OG 2.75Å |
| 87 | Y | 93.1 | Very high | 86.8 | Confident | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.016 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.8 | -51.6 | 175.3 | -177.4 | -111.2 | 0 | 0 | 0 | 113.3 | P37 A39 I42 L46 N83 V84 L85 T89 S90 V91 W197 R201 E205 | P37-Y87 WeakPolarHBondContact O-CD2 3.48Å; A39-Y87 HydrophobicContact CB-CE1 4.37Å; A39-Y87 HydrophobicContact CB-CE2 4.4Å; I42-Y87 HydrophobicContact CD1-CD1 4.25Å; I42-Y87 HydrophobicContact CD1-CG 3.95Å; L46-Y87 HydrophobicContact CD1-CD1 4.11Å; L46-Y87 HydrophobicContact CD1-CE1 4.1Å; L46-Y87 HydrophobicContact CD2-CD1 3.89Å; L46-Y87 HydrophobicContact CD2-CE1 4.47Å; N83-Y87 WeakPolarHBondContact O-CB 3.29Å; N83-Y87 PolarHBondContact O-N 2.87Å; N83-Y87 VanDerWaalsContact O-N 3.08Å; V84-Y87 PolarHBondContact O-N 3.41Å; L85-Y87 VanDerWaalsContact C-N 3.29Å; L85-Y87 PolarHBondContact O-N 3.42Å; Y87-T89 PolarHBondContact O-N 2.8Å; Y87-S90 WeakPolarHBondContact CA-OG 3.44Å; Y87-S90 PolarHBondContact O-N 3.46Å; Y87-S90 PolarHBondContact O-OG 2.61Å; Y87-V91 HydrophobicContact CD1-CG2 4.3Å; Y87-V91 HydrophobicContact CE1-CG2 3.78Å; Y87-V91 HydrophobicContact CE2-CG2 4.02Å; Y87-V91 PolarHBondContact O-N 3.01Å; Y87-W197 HydrophobicContact CD1-CH2 4.25Å; Y87-W197 AromaticContact CE1-CH2 3.67Å; Y87-W197 HydrophobicContact CE1-CH2 3.67Å; Y87-W197 HydrophobicContact CE1-CZ3 4.26Å; Y87-R201 WeakPolarHBondContact OH-CB 3.29Å; Y87-R201 PolarHBondContact OH-NE 2.78Å; Y87-R201 VanDerWaalsContact OH-NE 3.07Å; Y87-E205 VanDerWaalsContact CE2-OE1 3.29Å; Y87-E205 WeakPolarHBondContact CE2-OE1 3.46Å; Y87-E205 PolarHBondContact OH-OE1 2.71Å |
| 88 | L | 92.7 | Very high | 85.9 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.9 | -29.3 | -179.3 | -70.4 | 174.9 | 0 | 0 | 0 | 112.5 | A51 L53 I65 V84 L85 P92 W197 | A51-L88 HydrophobicContact CB-CD1 3.93Å; L53-L88 HydrophobicContact CB-CD2 3.85Å; I65-L88 HydrophobicContact CD1-CB 4.11Å; I65-L88 HydrophobicContact CG2-CD1 4.42Å; V84-L88 HydrophobicContact CG1-CD1 3.64Å; V84-L88 HydrophobicContact CG1-CG 4.15Å; V84-L88 WeakPolarHBondContact O-CB 3.36Å; V84-L88 VanDerWaalsContact O-CG 3.24Å; V84-L88 WeakPolarHBondContact O-CG 3.43Å; V84-L88 PolarHBondContact O-N 3.19Å; L85-L88 PolarHBondContact O-N 2.95Å; L88-P92 WeakPolarHBondContact O-CD 3.32Å; L88-W197 HydrophobicContact CD2-CH2 3.5Å; L88-W197 VanDerWaalsContact CD2-CH2 3.5Å; L88-W197 HydrophobicContact CD2-CZ2 3.99Å; L88-W197 HydrophobicContact CD2-CZ3 4.31Å |
| 89 | T | 90.8 | Very high | 85.5 | Confident | 17 Ų | 17 | 42.2 Ų | 42.2 | 10% | 0.104 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -79.5 | -19.2 | 173 | 55.4 | 0 | 0 | 0 | 0 | 114.7 | I65 L85 T86 Y87 F101 F126 P127 | I65-T89 HydrophobicContact CD1-CG2 4.2Å; L85-T89 WeakPolarHBondContact O-CG2 3.19Å; L85-T89 PolarHBondContact O-N 3.45Å; L85-T89 PolarHBondContact O-OG1 3.2Å; T86-T89 PolarHBondContact O-N 2.98Å; T86-T89 PolarHBondContact O-OG1 2.92Å; Y87-T89 PolarHBondContact O-N 2.8Å; T89-F101 HydrophobicContact CG2-CD2 4.34Å; T89-F101 HydrophobicContact CG2-CE1 4.21Å; T89-F101 HydrophobicContact CG2-CE2 3.95Å; T89-F101 HydrophobicContact CG2-CZ 3.89Å; T89-F126 HydrophobicContact CG2-CE1 3.97Å; T89-F126 HydrophobicContact CG2-CE2 4.15Å; T89-F126 HydrophobicContact CG2-CZ 3.55Å; T89-P127 HydrophobicContact CG2-CG 4.09Å; T89-P127 WeakPolarHBondContact OG1-CG 3.37Å |
| 90 | S | 88.9 | Confident | 85.2 | Confident | 17 Ų | 17 | 33.8 Ų | 33.8 | 12% | 0.119 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -91.4 | -8.7 | 176.5 | 61.2 | 0 | 0 | 0 | 0 | 114.4 | Q31 P36 T86 Y87 | Q31-S90 PolarHBondContact NE2-O 2.68Å; P36-S90 WeakPolarHBondContact CB-OG 3.43Å; T86-S90 PolarHBondContact O-N 3.1Å; T86-S90 VanDerWaalsContact O-N 3.16Å; T86-S90 PolarHBondContact O-OG 2.75Å; Y87-S90 WeakPolarHBondContact CA-OG 3.44Å; Y87-S90 PolarHBondContact O-N 3.46Å; Y87-S90 PolarHBondContact O-OG 2.61Å |
| 91 | V | 88.5 | Confident | 85.2 | Confident | 20 Ų | 20 | 32.7 Ų | 32.7 | 12% | 0.121 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -72.8 | -43.5 | 179 | 169.9 | 0 | 0 | 0 | 0 | 113.4 | L53 Y87 W197 | L53-V91 HydrophobicContact CD2-CB 4.02Å; L53-V91 HydrophobicContact CD2-CG1 3.74Å; Y87-V91 HydrophobicContact CD1-CG2 4.3Å; Y87-V91 HydrophobicContact CE1-CG2 3.78Å; Y87-V91 HydrophobicContact CE2-CG2 4.02Å; Y87-V91 PolarHBondContact O-N 3.01Å; V91-W197 HydrophobicContact CG1-CZ2 4.48Å; V91-W197 HydrophobicContact CG2-CZ2 4.39Å |
| 92 | P | 86.6 | Confident | 85.2 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -68.7 | 151 | 178.2 | -21.2 | 34.5 | 0 | 0 | 0 | 113.3 | L53 P63 L88 T97 F101 | L53-P92 HydrophobicContact CD2-CG 4.08Å; P63-P92 HydrophobicContact CB-CB 4.49Å; P63-P92 HydrophobicContact CB-CG 4.02Å; P63-P92 HydrophobicContact CG-CB 3.86Å; P63-P92 HydrophobicContact CG-CG 3.89Å; L88-P92 WeakPolarHBondContact O-CD 3.32Å; P92-T97 HydrophobicContact CB-CG2 4.32Å; P92-F101 HydrophobicContact CG-CE1 3.95Å; P92-F101 HydrophobicContact CG-CZ 4.14Å |
| 93 | S | 76.3 | Confident | 85.3 | Confident | 30 Ų | 30 | 28.5 Ų | 28.5 | 21% | 0.21 | 17% | 0.169 | C | C | . | . | trans | -53.9 | 145.7 | 171.5 | 43.6 | 0 | 0 | 0 | 0 | 113.1 | S95 S96 T97 E287 | S93-S95 PolarHBondContact O-N 3.13Å; S93-S96 WeakPolarHBondContact O-CA 3.36Å; S93-S96 VanDerWaalsContact O-CB 3.27Å; S93-S96 WeakPolarHBondContact O-CB 3.49Å; S93-S96 PolarHBondContact O-N 2.92Å; S93-S96 PolarHBondContact OG-OG 3.49Å; S93-T97 PolarHBondContact O-N 3.12Å; S93-T97 VanDerWaalsContact O-N 3.12Å; S93-E287 WeakPolarHBondContact CB-OE2 3.39Å; S93-E287 PolarHBondContact OG-OE1 3.21Å; S93-E287 PolarHBondContact OG-OE2 3.15Å | ||
| 94 | L | 70.3 | Confident | 85.4 | Confident | 118 Ų | 118 | 26.8 Ų | 26.8 | 62% | 0.618 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -52.2 | -43 | -179.1 | -68.7 | 171.8 | 0 | 0 | 0 | 112.4 | S96 T97 D98 | L94-S96 PolarHBondContact O-N 3.07Å; L94-T97 WeakPolarHBondContact CA-OG1 3.49Å; L94-T97 PolarHBondContact O-N 3.44Å; L94-T97 PolarHBondContact O-OG1 3.39Å; L94-D98 PolarHBondContact O-N 3Å |
| 95 | S | 68.4 | Low | 85.4 | Confident | 85 Ų | 85 | 26.8 Ų | 26.8 | 59% | 0.594 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -59.6 | -26 | 174.5 | 44.3 | 0 | 0 | 0 | 0 | 114.6 | S93 | S93-S95 PolarHBondContact O-N 3.13Å |
| 96 | S | 68.7 | Low | 85.3 | Confident | 15 Ų | 15 | 27.1 Ų | 27.1 | 11% | 0.105 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -81.2 | -34 | 171.3 | -57.7 | 0 | 0 | 0 | 0 | 111.6 | S93 L94 V99 | S93-S96 WeakPolarHBondContact O-CA 3.36Å; S93-S96 VanDerWaalsContact O-CB 3.27Å; S93-S96 WeakPolarHBondContact O-CB 3.49Å; S93-S96 PolarHBondContact O-N 2.92Å; S93-S96 PolarHBondContact OG-OG 3.49Å; L94-S96 PolarHBondContact O-N 3.07Å; S96-V99 PolarHBondContact O-N 3.36Å |
| 97 | T | 64.9 | Low | 85.2 | Confident | 27 Ų | 27 | 25.9 Ų | 25.9 | 17% | 0.166 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -73.1 | -28 | -179.7 | 67.3 | 0 | 0 | 0 | 0 | 113.9 | P92 S93 L94 V99 G100 F101 | P92-T97 HydrophobicContact CB-CG2 4.32Å; S93-T97 PolarHBondContact O-N 3.12Å; S93-T97 VanDerWaalsContact O-N 3.12Å; L94-T97 WeakPolarHBondContact CA-OG1 3.49Å; L94-T97 PolarHBondContact O-N 3.44Å; L94-T97 PolarHBondContact O-OG1 3.39Å; T97-V99 PolarHBondContact O-N 3.05Å; T97-G100 PolarHBondContact O-N 3.36Å; T97-F101 HydrophobicContact CG2-CE2 4.11Å; T97-F101 HydrophobicContact CG2-CZ 4.01Å |
| 98 | D | 75.6 | Confident | 84.9 | Confident | 133 Ų | 133 | 29.4 Ų | 29.4 | 71% | 0.711 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -28.7 | 174.4 | -81.6 | -31.5 | 0 | 0 | 0 | 112.9 | L94 G100 | L94-D98 PolarHBondContact O-N 3Å; D98-G100 VanDerWaalsContact C-N 3.33Å |
| 99 | V | 82.7 | Confident | 84.5 | Confident | 58 Ų | 58 | 36.7 Ų | 36.7 | 35% | 0.352 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -21.4 | 177.4 | -157 | 0 | 0 | 0 | 0 | 112 | N60 S62 S96 T97 | N60-V99 HydrophobicContact CB-CG1 4.39Å; N60-V99 WeakPolarHBondContact ND2-CG1 3.15Å; S62-V99 WeakPolarHBondContact OG-CG1 3.47Å; S96-V99 PolarHBondContact O-N 3.36Å; T97-V99 PolarHBondContact O-N 3.05Å |
| 100 | G | 87.3 | Confident | 84 | Confident | 3 Ų | 3 | 37.7 Ų | 37.7 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | trans | 85.6 | 163.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | S62 T97 D98 N129 | S62-G100 WeakPolarHBondContact CB-O 3.44Å; S62-G100 PolarHBondContact OG-O 3.48Å; T97-G100 PolarHBondContact O-N 3.36Å; D98-G100 VanDerWaalsContact C-N 3.33Å; G100-N129 CarbonylContact C-O 3.53Å; G100-N129 WeakPolarHBondContact CA-O 3.37Å | ||
| 101 | F | 92.5 | Very high | 83.7 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 1% | 0.013 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 145.1 | -175 | -71.2 | -95.3 | 0 | 0 | 0 | 112.8 | P63 I65 T89 P92 T97 F126 N129 L130 Q131 | P63-F101 HydrophobicContact CB-CD1 3.92Å; P63-F101 HydrophobicContact CB-CE1 3.91Å; P63-F101 HydrophobicContact CG-CD1 4.43Å; P63-F101 HydrophobicContact CG-CE1 4.22Å; I65-F101 HydrophobicContact CD1-CD1 3.6Å; I65-F101 HydrophobicContact CD1-CE1 3.86Å; I65-F101 HydrophobicContact CD1-CG 4.43Å; I65-F101 HydrophobicContact CG1-CD1 4.02Å; I65-F101 HydrophobicContact CG1-CE1 4.42Å; T89-F101 HydrophobicContact CG2-CD2 4.34Å; T89-F101 HydrophobicContact CG2-CE1 4.21Å; T89-F101 HydrophobicContact CG2-CE2 3.95Å; T89-F101 HydrophobicContact CG2-CZ 3.89Å; P92-F101 HydrophobicContact CG-CE1 3.95Å; P92-F101 HydrophobicContact CG-CZ 4.14Å; T97-F101 HydrophobicContact CG2-CE2 4.11Å; T97-F101 HydrophobicContact CG2-CZ 4.01Å; F101-F126 HydrophobicContact CB-CE1 4.38Å; F101-F126 HydrophobicContact CB-CZ 4.04Å; F101-F126 HydrophobicContact CD2-CE1 4.29Å; F101-F126 HydrophobicContact CD2-CZ 4.28Å; F101-F126 HydrophobicContact CG-CE1 4.45Å; F101-F126 HydrophobicContact CG-CZ 4.07Å; F101-N129 WeakPolarHBondContact CD2-O 3.42Å; F101-N129 PolarHBondContact N-O 3.03Å; F101-L130 HydrophobicContact CB-CD2 4.26Å; F101-Q131 PolarHBondContact O-N 2.99Å |
| 102 | I | 94.3 | Very high | 83.3 | Confident | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 131.7 | 166.8 | -58.4 | 177.4 | 0 | 0 | 0 | 108.3 | P63 I64 I65 L132 I177 | P63-I102 PolarHBondContact O-N 3.49Å; I64-I102 WeakPolarHBondContact CA-O 3.46Å; I64-I102 HydrophobicContact CG1-CB 4.24Å; I65-I102 PolarHBondContact N-O 3.05Å; I102-L132 WeakPolarHBondContact CA-O 3.42Å; I102-L132 HydrophobicContact CG1-CB 4.27Å; I102-L132 HydrophobicContact CG2-CB 4.33Å; I102-L132 HydrophobicContact CG2-CD2 4.4Å; I102-L132 HydrophobicContact CG2-CG 4.46Å; I102-I177 HydrophobicContact CG2-CD1 4.06Å |
| 103 | L | 95.4 | Very high | 82.9 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 129.6 | 174.1 | -53.2 | -173.1 | 0 | 0 | 0 | 110.7 | I65 F67 I105 I122 F126 L130 L132 V133 L134 | I65-L103 HydrophobicContact CB-CD2 3.84Å; I65-L103 HydrophobicContact CG2-CD2 4.32Å; I65-L103 WeakPolarHBondContact O-CA 3.47Å; F67-L103 HydrophobicContact CE2-CD1 4.05Å; F67-L103 HydrophobicContact CE2-CD2 4.14Å; F67-L103 HydrophobicContact CE2-CG 4.48Å; L103-I105 HydrophobicContact CB-CG1 4.46Å; L103-I122 HydrophobicContact CD1-CD1 4.31Å; L103-I122 HydrophobicContact CD1-CG2 3.56Å; L103-F126 HydrophobicContact CD1-CD2 4.38Å; L103-F126 HydrophobicContact CD1-CE2 4.4Å; L103-F126 HydrophobicContact CD2-CE2 3.77Å; L103-F126 HydrophobicContact CD2-CZ 4.08Å; L103-L130 HydrophobicContact CD1-CD1 4.33Å; L103-L130 HydrophobicContact CD1-CD2 3.69Å; L103-L130 HydrophobicContact CD2-CD2 3.94Å; L103-L130 HydrophobicContact CG-CD2 3.66Å; L103-L132 PolarHBondContact N-O 2.8Å; L103-V133 HydrophobicContact CB-CG1 4.26Å; L103-V133 HydrophobicContact CB-CG2 4.31Å; L103-V133 HydrophobicContact CD1-CG2 4.18Å; L103-V133 HydrophobicContact CG-CG2 4.36Å; L103-L134 PolarHBondContact O-N 3.08Å |
| 104 | V | 95.9 | Very high | 83.2 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 113.8 | 167.5 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | I64 I65 V66 F67 L134 L173 I177 L186 | I64-V104 HydrophobicContact CG2-CG2 3.84Å; I65-V104 PolarHBondContact O-N 2.9Å; V66-V104 CarbonylContact C-O 3.55Å; V66-V104 WeakPolarHBondContact CA-O 3.36Å; F67-V104 PolarHBondContact N-O 3.09Å; V104-L134 WeakPolarHBondContact CA-O 3.32Å; V104-L173 HydrophobicContact CG1-CD1 4.24Å; V104-L173 HydrophobicContact CG1-CD2 4.07Å; V104-L173 HydrophobicContact CG2-CD1 4.26Å; V104-I177 HydrophobicContact CG2-CD1 3.56Å; V104-L186 HydrophobicContact CG1-CD1 3.93Å; V104-L186 HydrophobicContact CG1-CD2 4.2Å |
| 105 | I | 94.4 | Very high | 83.8 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 110.4 | -175.5 | -58.7 | 173.5 | 0 | 0 | 0 | 108.8 | F67 L103 R107 T118 L119 I122 V133 L134 V135 L136 | F67-I105 HydrophobicContact CB-CG1 4.28Å; F67-I105 HydrophobicContact CB-CG2 4.46Å; F67-I105 HydrophobicContact CD2-CG1 3.96Å; F67-I105 HydrophobicContact CG-CG1 4.38Å; L103-I105 HydrophobicContact CB-CG1 4.46Å; I105-R107 HydrophobicContact CG2-CG 3.86Å; I105-T118 HydrophobicContact CG2-CG2 3.94Å; I105-L119 HydrophobicContact CD1-CD2 3.8Å; I105-I122 HydrophobicContact CD1-CD1 3.51Å; I105-I122 HydrophobicContact CG1-CD1 4.28Å; I105-V133 HydrophobicContact CD1-CG1 3.65Å; I105-V133 HydrophobicContact CG1-CG1 4.42Å; I105-L134 PolarHBondContact N-O 3.04Å; I105-V135 HydrophobicContact CB-CG1 4.39Å; I105-V135 HydrophobicContact CB-CG2 4.36Å; I105-V135 HydrophobicContact CD1-CG2 4.37Å; I105-V135 HydrophobicContact CG2-CG1 4.36Å; I105-V135 CarbonylContact O-C 3.56Å; I105-V135 WeakPolarHBondContact O-CA 3.34Å; I105-L136 PolarHBondContact O-N 2.72Å |
| 106 | D | 92.4 | Very high | 84.5 | Confident | 7 Ų | 7 | 44.1 Ų | 44.1 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 114.9 | 178.3 | -168.4 | 3.9 | 0 | 0 | 0 | 111.7 | F67 E69 R108 L186 | F67-D106 PolarHBondContact O-N 3.42Å; E69-D106 PolarHBondContact N-O 3.12Å; D106-R108 VanDerWaalsContact CG-NE 3.35Å; D106-R108 WeakPolarHBondContact OD1-CG 3.44Å; D106-R108 IonicContact OD1-CZ 3.01Å; D106-R108 PolarHBondContact OD1-N 3.48Å; D106-R108 IonicContact OD1-NE 3.11Å; D106-R108 PolarHBondContact OD1-NE 2.9Å; D106-R108 IonicContact OD1-NH2 3.54Å; D106-R108 IonicContact OD2-CZ 3.23Å; D106-R108 VanDerWaalsContact OD2-CZ 3.27Å; D106-R108 IonicContact OD2-NE 3.89Å; D106-R108 PolarHBondContact OD2-NE 3.17Å; D106-R108 VanDerWaalsContact OD2-NE 3.11Å; D106-R108 IonicContact OD2-NH2 2.64Å; D106-R108 PolarHBondContact OD2-NH2 2.86Å; D106-L186 HydrophobicContact CB-CD2 4.36Å |
| 107 | R | 89.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -136.6 | 32.3 | -179.8 | -65.3 | -75.4 | 172.5 | -98.3 | 12.1 | 110.1 | P68 I105 Q109 D110 V115 T118 L136 P138 | P68-R107 PolarHBondContact O-NH1 3.22Å; I105-R107 HydrophobicContact CG2-CG 3.86Å; R107-Q109 VanDerWaalsContact C-N 3.34Å; R107-Q109 PolarHBondContact O-N 2.84Å; R107-D110 HydrophobicContact CB-CB 3.94Å; R107-D110 WeakPolarHBondContact CD-OD2 3.27Å; R107-D110 IonicContact NE-OD2 2.65Å; R107-D110 WeakPolarHBondContact O-CB 3.31Å; R107-D110 PolarHBondContact O-N 2.94Å; R107-D110 VanDerWaalsContact O-N 3.1Å; R107-V115 HydrophobicContact CB-CG2 3.73Å; R107-V115 HydrophobicContact CG-CG2 4.19Å; R107-T118 PolarHBondContact NE-OG1 2.97Å; R107-T118 VanDerWaalsContact NE-OG1 3.12Å; R107-L136 CarbonylContact C-O 3.49Å; R107-L136 PolarHBondContact N-O 3.1Å; R107-P138 VanDerWaalsContact O-CD 3.29Å; R107-P138 WeakPolarHBondContact O-CD 3.46Å; R107-P138 VanDerWaalsContact O-CG 3.32Å; R107-P138 WeakPolarHBondContact O-CG 3.49Å | ||
| 108 | R | 87.3 | Confident | 86.3 | Confident | 78 Ų | 78 | 44 Ų | 44 | 29% | 0.294 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -36.9 | -172.9 | -78.5 | 176.4 | -72.9 | 172.5 | -8 | 114.7 | D106 L136 P138 V170 E185 | D106-R108 VanDerWaalsContact CG-NE 3.35Å; D106-R108 WeakPolarHBondContact OD1-CG 3.44Å; D106-R108 IonicContact OD1-CZ 3.01Å; D106-R108 PolarHBondContact OD1-N 3.48Å; D106-R108 IonicContact OD1-NE 3.11Å; D106-R108 PolarHBondContact OD1-NE 2.9Å; D106-R108 IonicContact OD1-NH2 3.54Å; D106-R108 IonicContact OD2-CZ 3.23Å; D106-R108 VanDerWaalsContact OD2-CZ 3.27Å; D106-R108 IonicContact OD2-NE 3.89Å; D106-R108 PolarHBondContact OD2-NE 3.17Å; D106-R108 VanDerWaalsContact OD2-NE 3.11Å; D106-R108 IonicContact OD2-NH2 2.64Å; D106-R108 PolarHBondContact OD2-NH2 2.86Å; R108-L136 HydrophobicContact CG-CB 3.87Å; R108-L136 PolarHBondContact N-O 3.35Å; R108-P138 WeakPolarHBondContact O-CA 3.4Å; R108-V170 VanDerWaalsContact NH1-CG2 3.32Å; R108-E185 PolarHBondContact NH2-O 2.82Å |
| 109 | Q | 83.4 | Confident | 86.9 | Confident | 154 Ų | 154 | 37.7 Ų | 37.7 | 72% | 0.72 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 0.2 | 178.9 | -51.9 | -64.2 | -4.7 | 0 | 0 | 113.8 | E69 R107 | E69-Q109 VanDerWaalsContact CD-CG 3.49Å; E69-Q109 WeakPolarHBondContact OE1-CB 3.47Å; E69-Q109 VanDerWaalsContact OE1-CG 3.23Å; E69-Q109 WeakPolarHBondContact OE1-CG 3.37Å; E69-Q109 WeakPolarHBondContact OE2-CG 3.27Å; R107-Q109 VanDerWaalsContact C-N 3.34Å; R107-Q109 PolarHBondContact O-N 2.84Å |
| 110 | D | 81.6 | Confident | 87 | Confident | 38 Ų | 38 | 38 Ų | 38 | 20% | 0.203 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -90.6 | -179.3 | -163.4 | -147.1 | -25.2 | 0 | 0 | 0 | 113.3 | R107 A114 P138 | R107-D110 HydrophobicContact CB-CB 3.94Å; R107-D110 WeakPolarHBondContact CD-OD2 3.27Å; R107-D110 IonicContact NE-OD2 2.65Å; R107-D110 WeakPolarHBondContact O-CB 3.31Å; R107-D110 PolarHBondContact O-N 2.94Å; R107-D110 VanDerWaalsContact O-N 3.1Å; D110-A114 VanDerWaalsContact CG-CB 3.46Å; D110-A114 WeakPolarHBondContact OD1-CB 3.47Å; D110-A114 WeakPolarHBondContact OD2-CB 3.39Å; D110-P138 WeakPolarHBondContact O-CG 3.29Å |
| 111 | R | 82.4 | Confident | 87.1 | Confident | 194 Ų | 194 | 40.2 Ų | 40.2 | 73% | 0.732 | 20% | 0.204 | S | C | * | . | trans | -97.1 | 147.6 | 171.6 | -63.5 | -176.4 | -178.3 | -179.6 | 2.7 | 110.8 | A113 A114 V115 | R111-A113 PolarHBondContact O-N 2.67Å; R111-A114 WeakPolarHBondContact O-CB 3.48Å; R111-A114 PolarHBondContact O-N 2.92Å; R111-V115 PolarHBondContact O-N 2.78Å | ||
| 112 | W | 78.8 | Confident | 86.9 | Confident | 48 Ų | 48 | 40.1 Ų | 40.1 | 18% | 0.182 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -52.1 | -32.1 | 176.8 | -179.4 | -115.7 | 0 | 0 | 0 | 114 | V115 K116 F151 M166 | W112-V115 HydrophobicContact CE3-CB 4.02Å; W112-V115 HydrophobicContact CE3-CG1 4.16Å; W112-V115 HydrophobicContact CE3-CG2 4.36Å; W112-V115 HydrophobicContact CZ3-CB 4.24Å; W112-V115 HydrophobicContact CZ3-CG1 3.87Å; W112-V115 PolarHBondContact O-N 2.84Å; W112-K116 PolarHBondContact O-N 3.03Å; W112-F151 HydrophobicContact CH2-CB 4.21Å; W112-F151 HydrophobicContact CH2-CD2 4.32Å; W112-F151 HydrophobicContact CZ2-CB 4.32Å; W112-M166 HydrophobicContact CH2-CE 4.12Å; W112-M166 HydrophobicContact CZ3-CE 3.74Å |
| 113 | A | 79.5 | Confident | 86.5 | Confident | 79 Ų | 79 | 41.9 Ų | 41.9 | 65% | 0.653 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -62.6 | -39.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R111 K116 G117 | R111-A113 PolarHBondContact O-N 2.67Å; A113-K116 PolarHBondContact O-N 2.96Å; A113-G117 PolarHBondContact O-N 2.99Å |
| 114 | A | 81.8 | Confident | 85.9 | Confident | 33 Ų | 33 | 44.9 Ų | 44.9 | 27% | 0.273 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -71.7 | -35.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D110 R111 G117 T118 | D110-A114 VanDerWaalsContact CG-CB 3.46Å; D110-A114 WeakPolarHBondContact OD1-CB 3.47Å; D110-A114 WeakPolarHBondContact OD2-CB 3.39Å; R111-A114 WeakPolarHBondContact O-CB 3.48Å; R111-A114 PolarHBondContact O-N 2.92Å; A114-G117 PolarHBondContact O-N 3.29Å; A114-T118 WeakPolarHBondContact O-CB 3.26Å; A114-T118 PolarHBondContact O-N 3.12Å; A114-T118 PolarHBondContact O-OG1 3.25Å |
| 115 | V | 83.5 | Confident | 85.3 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60 | -50.7 | 170.7 | -175.3 | 0 | 0 | 0 | 0 | 110.6 | R107 R111 W112 G117 T118 L119 V135 M166 | R107-V115 HydrophobicContact CB-CG2 3.73Å; R107-V115 HydrophobicContact CG-CG2 4.19Å; R111-V115 PolarHBondContact O-N 2.78Å; W112-V115 HydrophobicContact CE3-CB 4.02Å; W112-V115 HydrophobicContact CE3-CG1 4.16Å; W112-V115 HydrophobicContact CE3-CG2 4.36Å; W112-V115 HydrophobicContact CZ3-CB 4.24Å; W112-V115 HydrophobicContact CZ3-CG1 3.87Å; W112-V115 PolarHBondContact O-N 2.84Å; V115-G117 PolarHBondContact O-N 3.2Å; V115-T118 PolarHBondContact O-N 2.92Å; V115-L119 HydrophobicContact CG1-CD1 4.25Å; V115-L119 WeakPolarHBondContact O-CG 3.43Å; V115-L119 PolarHBondContact O-N 2.81Å; V115-V135 HydrophobicContact CG1-CG1 3.87Å; V115-M166 HydrophobicContact CG1-CE 4.22Å |
| 116 | K | 81.7 | Confident | 85 | Confident | 52 Ų | 52 | 48.7 Ų | 48.7 | 23% | 0.226 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 176.6 | 175.5 | 167.5 | 172.5 | 172.2 | 0 | 111.9 | W112 A113 L119 L120 E157 F158 | W112-K116 PolarHBondContact O-N 3.03Å; A113-K116 PolarHBondContact O-N 2.96Å; K116-L119 PolarHBondContact O-N 2.86Å; K116-L120 HydrophobicContact CD-CD1 4.49Å; K116-L120 HydrophobicContact CG-CD1 3.9Å; K116-L120 HydrophobicContact CG-CG 4.39Å; K116-L120 WeakPolarHBondContact O-CB 3.39Å; K116-L120 WeakPolarHBondContact O-CG 3.48Å; K116-L120 PolarHBondContact O-N 3.27Å; K116-E157 WeakPolarHBondContact CE-OE1 3.48Å; K116-E157 VanDerWaalsContact CE-OE2 3.29Å; K116-E157 WeakPolarHBondContact CE-OE2 3.39Å; K116-E157 IonicContact NZ-OE1 3.33Å; K116-E157 PolarHBondContact NZ-OE1 3.47Å; K116-E157 IonicContact NZ-OE2 2.8Å; K116-E157 PolarHBondContact NZ-OE2 3.46Å; K116-F158 HydrophobicContact CD-CZ 4.41Å; K116-F158 HydrophobicContact CG-CE1 4Å; K116-F158 HydrophobicContact CG-CZ 4.04Å |
| 117 | G | 85.1 | Confident | 84.8 | Confident | 37 Ų | 37 | 51.3 Ų | 51.3 | 38% | 0.381 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | A113 A114 V115 L120 R121 | A113-G117 PolarHBondContact O-N 2.99Å; A114-G117 PolarHBondContact O-N 3.29Å; V115-G117 PolarHBondContact O-N 3.2Å; G117-L120 PolarHBondContact O-N 2.9Å; G117-R121 PolarHBondContact O-N 2.72Å |
| 118 | T | 87.3 | Confident | 84.5 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.012 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.4 | -50.3 | 176.1 | -56.4 | 0 | 0 | 0 | 0 | 110.9 | F73 I105 R107 A114 V115 L120 R121 I122 | F73-T118 HydrophobicContact CE1-CG2 3.92Å; F73-T118 HydrophobicContact CZ-CG2 3.87Å; I105-T118 HydrophobicContact CG2-CG2 3.94Å; R107-T118 PolarHBondContact NE-OG1 2.97Å; R107-T118 VanDerWaalsContact NE-OG1 3.12Å; A114-T118 WeakPolarHBondContact O-CB 3.26Å; A114-T118 PolarHBondContact O-N 3.12Å; A114-T118 PolarHBondContact O-OG1 3.25Å; V115-T118 PolarHBondContact O-N 2.92Å; T118-L120 PolarHBondContact O-N 2.87Å; T118-R121 PolarHBondContact O-N 2.82Å; T118-I122 HydrophobicContact CG2-CD1 3.89Å; T118-I122 WeakPolarHBondContact O-CG1 3.44Å; T118-I122 PolarHBondContact O-N 2.85Å; T118-I122 VanDerWaalsContact O-N 3.07Å |
| 119 | L | 87.3 | Confident | 84.5 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 179.6 | -72.9 | 170.7 | 0 | 0 | 0 | 112.8 | I105 V115 K116 A123 V133 V135 F158 V164 | I105-L119 HydrophobicContact CD1-CD2 3.8Å; V115-L119 HydrophobicContact CG1-CD1 4.25Å; V115-L119 WeakPolarHBondContact O-CG 3.43Å; V115-L119 PolarHBondContact O-N 2.81Å; K116-L119 PolarHBondContact O-N 2.86Å; L119-A123 VanDerWaalsContact O-CB 3.23Å; L119-A123 WeakPolarHBondContact O-CB 3.31Å; L119-A123 PolarHBondContact O-N 3.08Å; L119-V133 HydrophobicContact CD2-CG1 4.03Å; L119-V135 HydrophobicContact CD2-CG2 4.1Å; L119-F158 HydrophobicContact CB-CD1 3.91Å; L119-F158 HydrophobicContact CB-CE1 3.79Å; L119-F158 HydrophobicContact CD1-CE1 4.28Å; L119-V164 HydrophobicContact CD1-CG1 4.5Å; L119-V164 HydrophobicContact CD2-CG1 4.19Å |
| 120 | L | 85.8 | Confident | 84.7 | Confident | 64 Ų | 64 | 48.3 Ų | 48.3 | 34% | 0.335 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.9 | -39.3 | 177.3 | -73.9 | 172.7 | 0 | 0 | 0 | 112.5 | K116 G117 T118 A123 G124 F158 | K116-L120 HydrophobicContact CD-CD1 4.49Å; K116-L120 HydrophobicContact CG-CD1 3.9Å; K116-L120 HydrophobicContact CG-CG 4.39Å; K116-L120 WeakPolarHBondContact O-CB 3.39Å; K116-L120 WeakPolarHBondContact O-CG 3.48Å; K116-L120 PolarHBondContact O-N 3.27Å; G117-L120 PolarHBondContact O-N 2.9Å; T118-L120 PolarHBondContact O-N 2.87Å; L120-A123 PolarHBondContact O-N 2.72Å; L120-G124 PolarHBondContact O-N 2.81Å; L120-F158 HydrophobicContact CD2-CD1 3.76Å; L120-F158 HydrophobicContact CD2-CE1 4.18Å; L120-F158 HydrophobicContact CG-CD1 4.02Å; L120-F158 HydrophobicContact CG-CE1 4.02Å |
| 121 | R | 88.4 | Confident | 85.1 | Confident | 50 Ų | 50 | 50 Ų | 50 | 19% | 0.189 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.3 | -42.1 | 178.4 | -150.4 | -177.5 | -153.4 | 166.1 | 4.8 | 111.7 | F73 I76 D78 F81 G117 T118 G124 S125 | F73-R121 PolarHBondContact O-NH1 2.94Å; I76-R121 PolarHBondContact O-NH1 3.47Å; I76-R121 PolarHBondContact O-NH2 2.83Å; D78-R121 IonicContact OD1-CZ 2.6Å; D78-R121 IonicContact OD1-NE 2.93Å; D78-R121 PolarHBondContact OD1-NE 2.9Å; D78-R121 IonicContact OD1-NH2 3.41Å; D78-R121 PolarHBondContact OD1-NH2 2.94Å; D78-R121 IonicContact OD2-NH2 2.74Å; F81-R121 HydrophobicContact CD1-CG 3.95Å; F81-R121 HydrophobicContact CE1-CB 4.17Å; F81-R121 HydrophobicContact CE1-CG 3.71Å; F81-R121 HydrophobicContact CG-CG 4.48Å; F81-R121 HydrophobicContact CZ-CB 4.14Å; F81-R121 HydrophobicContact CZ-CG 4.06Å; G117-R121 PolarHBondContact O-N 2.72Å; T118-R121 PolarHBondContact O-N 2.82Å; R121-G124 PolarHBondContact O-N 3.37Å; R121-S125 PolarHBondContact O-N 3.34Å |
| 122 | I | 89.3 | Confident | 85.5 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.4 | -50.4 | 172.3 | -67.1 | 168.4 | 0 | 0 | 0 | 110 | F67 F81 L103 I105 T118 G124 S125 F126 L130 M160 | F67-I122 HydrophobicContact CD1-CD1 4.42Å; F67-I122 HydrophobicContact CD2-CD1 4.16Å; F67-I122 HydrophobicContact CE1-CD1 4Å; F67-I122 HydrophobicContact CE1-CG1 4.2Å; F67-I122 HydrophobicContact CE2-CD1 3.72Å; F67-I122 HydrophobicContact CE2-CG1 4.36Å; F67-I122 HydrophobicContact CG-CD1 4.48Å; F67-I122 HydrophobicContact CZ-CD1 3.62Å; F67-I122 HydrophobicContact CZ-CG1 3.82Å; F81-I122 HydrophobicContact CZ-CG1 3.9Å; L103-I122 HydrophobicContact CD1-CD1 4.31Å; L103-I122 HydrophobicContact CD1-CG2 3.56Å; I105-I122 HydrophobicContact CD1-CD1 3.51Å; I105-I122 HydrophobicContact CG1-CD1 4.28Å; T118-I122 HydrophobicContact CG2-CD1 3.89Å; T118-I122 WeakPolarHBondContact O-CG1 3.44Å; T118-I122 PolarHBondContact O-N 2.85Å; T118-I122 VanDerWaalsContact O-N 3.07Å; I122-G124 PolarHBondContact O-N 2.66Å; I122-S125 PolarHBondContact O-N 2.73Å; I122-F126 HydrophobicContact CG2-CB 4.06Å; I122-F126 HydrophobicContact CG2-CD2 4.33Å; I122-F126 HydrophobicContact CG2-CG 4.46Å; I122-F126 VanDerWaalsContact O-CB 3.22Å; I122-F126 WeakPolarHBondContact O-CB 3.48Å; I122-F126 PolarHBondContact O-N 2.93Å; I122-L130 HydrophobicContact CG2-CD1 4.45Å; I122-M160 HydrophobicContact CG2-CE 3.92Å |
| 123 | A | 84.9 | Confident | 86.1 | Confident | 41 Ų | 41 | 39.8 Ų | 39.8 | 34% | 0.339 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.2 | -28.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L119 L120 F158 M160 | L119-A123 VanDerWaalsContact O-CB 3.23Å; L119-A123 WeakPolarHBondContact O-CB 3.31Å; L119-A123 PolarHBondContact O-N 3.08Å; L120-A123 PolarHBondContact O-N 2.72Å; A123-F158 VanDerWaalsContact CB-O 3.26Å; A123-F158 WeakPolarHBondContact CB-O 3.42Å; A123-M160 HydrophobicContact CB-CE 4.43Å; A123-M160 HydrophobicContact CB-CG 3.48Å; A123-M160 VanDerWaalsContact CB-CG 3.48Å; A123-M160 HydrophobicContact CB-SD 3.95Å |
| 124 | G | 83.1 | Confident | 86.8 | Confident | 63 Ų | 63 | 36 Ų | 36 | 65% | 0.649 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -91.7 | -10.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | L120 R121 I122 | L120-G124 PolarHBondContact O-N 2.81Å; R121-G124 PolarHBondContact O-N 3.37Å; I122-G124 PolarHBondContact O-N 2.66Å |
| 125 | S | 84.2 | Confident | 87.3 | Confident | 52 Ų | 52 | 34.5 Ų | 34.5 | 36% | 0.364 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -150 | 3.8 | -169.2 | -55.5 | 0 | 0 | 0 | 0 | 116.3 | R121 I122 P127 | R121-S125 PolarHBondContact O-N 3.34Å; I122-S125 PolarHBondContact O-N 2.73Å; S125-P127 WeakPolarHBondContact O-CD 3.33Å |
| 126 | F | 88.6 | Confident | 87.6 | Confident | 29 Ų | 29 | 34.6 Ų | 34.6 | 13% | 0.127 | 22% | 0.217 | C | C | . | . | trans | -70.8 | 125.1 | 173.6 | -168.8 | -89.1 | 0 | 0 | 0 | 110.7 | I65 L85 T89 F101 L103 I122 G128 L130 | I65-F126 HydrophobicContact CD1-CE2 4.16Å; I65-F126 HydrophobicContact CD1-CZ 4.14Å; L85-F126 HydrophobicContact CD1-CD2 4.12Å; L85-F126 HydrophobicContact CD2-CE2 4.5Å; T89-F126 HydrophobicContact CG2-CE1 3.97Å; T89-F126 HydrophobicContact CG2-CE2 4.15Å; T89-F126 HydrophobicContact CG2-CZ 3.55Å; F101-F126 HydrophobicContact CB-CE1 4.38Å; F101-F126 HydrophobicContact CB-CZ 4.04Å; F101-F126 HydrophobicContact CD2-CE1 4.29Å; F101-F126 HydrophobicContact CD2-CZ 4.28Å; F101-F126 HydrophobicContact CG-CE1 4.45Å; F101-F126 HydrophobicContact CG-CZ 4.07Å; L103-F126 HydrophobicContact CD1-CD2 4.38Å; L103-F126 HydrophobicContact CD1-CE2 4.4Å; L103-F126 HydrophobicContact CD2-CE2 3.77Å; L103-F126 HydrophobicContact CD2-CZ 4.08Å; I122-F126 HydrophobicContact CG2-CB 4.06Å; I122-F126 HydrophobicContact CG2-CD2 4.33Å; I122-F126 HydrophobicContact CG2-CG 4.46Å; I122-F126 VanDerWaalsContact O-CB 3.22Å; I122-F126 WeakPolarHBondContact O-CB 3.48Å; I122-F126 PolarHBondContact O-N 2.93Å; F126-G128 VanDerWaalsContact CD1-O 3.27Å; F126-G128 WeakPolarHBondContact CD1-O 3.4Å; F126-G128 WeakPolarHBondContact CE1-O 3.22Å; F126-L130 HydrophobicContact CB-CD1 4.5Å; F126-L130 HydrophobicContact CD1-CD1 4.14Å; F126-L130 HydrophobicContact CD1-CD2 3.56Å; F126-L130 HydrophobicContact CD1-CG 3.62Å; F126-L130 HydrophobicContact CD2-CD2 4.3Å; F126-L130 HydrophobicContact CE1-CD2 3.33Å; F126-L130 HydrophobicContact CE1-CG 3.81Å; F126-L130 HydrophobicContact CE2-CD2 4.12Å; F126-L130 HydrophobicContact CG-CD1 4.31Å; F126-L130 HydrophobicContact CG-CD2 4.05Å; F126-L130 HydrophobicContact CG-CG 4.23Å; F126-L130 HydrophobicContact CZ-CD2 3.64Å | ||
| 127 | P | 86.7 | Confident | 87.7 | Confident | 61 Ų | 61 | 32.9 Ų | 32.9 | 40% | 0.396 | 21% | 0.209 | S | C | . | . | trans | -88.3 | -20 | -168.8 | 31.6 | -33.7 | 0 | 0 | 0 | 115 | L85 T89 S125 | L85-P127 HydrophobicContact CB-CG 4.44Å; T89-P127 HydrophobicContact CG2-CG 4.09Å; T89-P127 WeakPolarHBondContact OG1-CG 3.37Å; S125-P127 WeakPolarHBondContact O-CD 3.33Å | ||
| 128 | G | 82.8 | Confident | 87.4 | Confident | 25 Ų | 25 | 31.5 Ų | 31.5 | 26% | 0.258 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -95.3 | 172.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | F126 L130 | F126-G128 VanDerWaalsContact CD1-O 3.27Å; F126-G128 WeakPolarHBondContact CD1-O 3.4Å; F126-G128 WeakPolarHBondContact CE1-O 3.22Å; G128-L130 PolarHBondContact O-N 2.83Å |
| 129 | N | 87.4 | Confident | 86.3 | Confident | 107 Ų | 107 | 35 Ų | 35 | 57% | 0.572 | 22% | 0.215 | S | C | * | . | P | Polyproline II helix | trans | -67.7 | 122 | 168.1 | -74.3 | -35.1 | 0 | 0 | 0 | 110 | G100 F101 | G100-N129 CarbonylContact C-O 3.53Å; G100-N129 WeakPolarHBondContact CA-O 3.37Å; F101-N129 WeakPolarHBondContact CD2-O 3.42Å; F101-N129 PolarHBondContact N-O 3.03Å |
| 130 | L | 89 | Confident | 85.2 | Confident | 37 Ų | 37 | 38.8 Ų | 38.8 | 19% | 0.194 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 145.9 | 170.1 | -69 | 177.2 | 0 | 0 | 0 | 110.8 | F101 L103 I122 F126 G128 M160 V162 | F101-L130 HydrophobicContact CB-CD2 4.26Å; L103-L130 HydrophobicContact CD1-CD1 4.33Å; L103-L130 HydrophobicContact CD1-CD2 3.69Å; L103-L130 HydrophobicContact CD2-CD2 3.94Å; L103-L130 HydrophobicContact CG-CD2 3.66Å; I122-L130 HydrophobicContact CG2-CD1 4.45Å; F126-L130 HydrophobicContact CB-CD1 4.5Å; F126-L130 HydrophobicContact CD1-CD1 4.14Å; F126-L130 HydrophobicContact CD1-CD2 3.56Å; F126-L130 HydrophobicContact CD1-CG 3.62Å; F126-L130 HydrophobicContact CD2-CD2 4.3Å; F126-L130 HydrophobicContact CE1-CD2 3.33Å; F126-L130 HydrophobicContact CE1-CG 3.81Å; F126-L130 HydrophobicContact CE2-CD2 4.12Å; F126-L130 HydrophobicContact CG-CD1 4.31Å; F126-L130 HydrophobicContact CG-CD2 4.05Å; F126-L130 HydrophobicContact CG-CG 4.23Å; F126-L130 HydrophobicContact CZ-CD2 3.64Å; G128-L130 PolarHBondContact O-N 2.83Å; L130-M160 HydrophobicContact CD1-CE 3.49Å; L130-M160 VanDerWaalsContact CD1-CE 3.49Å; L130-V162 HydrophobicContact CB-CG1 3.94Å; L130-V162 HydrophobicContact CB-CG2 4.04Å; L130-V162 HydrophobicContact CD1-CG2 4.41Å; L130-V162 VanDerWaalsContact O-CG1 3.23Å; L130-V162 WeakPolarHBondContact O-CG1 3.45Å |
| 131 | Q | 89 | Confident | 83.6 | Confident | 74 Ų | 74 | 43.3 Ų | 43.3 | 35% | 0.346 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | -46.1 | 171 | -164.8 | -156.1 | 12.5 | 0 | 0 | 111.8 | N60 S62 F101 P163 | N60-Q131 VanDerWaalsContact ND2-CD 3.3Å; N60-Q131 PolarHBondContact ND2-NE2 2.81Å; N60-Q131 PolarHBondContact ND2-OE1 2.84Å; N60-Q131 VanDerWaalsContact ND2-OE1 3.08Å; S62-Q131 PolarHBondContact OG-OE1 3.24Å; S62-Q131 VanDerWaalsContact OG-OE1 3.09Å; F101-Q131 PolarHBondContact O-N 2.99Å; Q131-P163 WeakPolarHBondContact O-CD 3.39Å |
| 132 | L | 90.9 | Very high | 81.8 | Confident | 28 Ų | 28 | 47.7 Ų | 47.7 | 15% | 0.147 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 143.2 | -171.7 | 178.1 | 61.9 | 0 | 0 | 0 | 110.8 | I102 L103 L134 P163 V165 | I102-L132 WeakPolarHBondContact CA-O 3.42Å; I102-L132 HydrophobicContact CG1-CB 4.27Å; I102-L132 HydrophobicContact CG2-CB 4.33Å; I102-L132 HydrophobicContact CG2-CD2 4.4Å; I102-L132 HydrophobicContact CG2-CG 4.46Å; L103-L132 PolarHBondContact N-O 2.8Å; L132-L134 HydrophobicContact CD1-CD2 3.93Å; L132-L134 HydrophobicContact CD2-CD1 4.3Å; L132-L134 HydrophobicContact CD2-CD2 3.95Å; L132-L134 HydrophobicContact CD2-CG 4.16Å; L132-L134 HydrophobicContact CG-CD2 3.87Å; L132-L134 HydrophobicContact CG-CG 4.08Å; L132-P163 HydrophobicContact CD1-CB 3.98Å; L132-V165 HydrophobicContact CD1-CG2 4.07Å |
| 133 | V | 92.4 | Very high | 80 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 122 | 173.8 | -177 | 0 | 0 | 0 | 0 | 109.5 | L103 I105 L119 V135 M160 V162 P163 V164 V165 | L103-V133 HydrophobicContact CB-CG1 4.26Å; L103-V133 HydrophobicContact CB-CG2 4.31Å; L103-V133 HydrophobicContact CD1-CG2 4.18Å; L103-V133 HydrophobicContact CG-CG2 4.36Å; I105-V133 HydrophobicContact CD1-CG1 3.65Å; I105-V133 HydrophobicContact CG1-CG1 4.42Å; L119-V133 HydrophobicContact CD2-CG1 4.03Å; V133-V135 HydrophobicContact CG1-CG2 4.03Å; V133-M160 HydrophobicContact CG2-CE 3.9Å; V133-V162 HydrophobicContact CG2-CG2 4.26Å; V133-P163 PolarHBondContact N-O 2.98Å; V133-V164 HydrophobicContact CB-CB 4.39Å; V133-V164 HydrophobicContact CB-CG1 4.26Å; V133-V164 HydrophobicContact CB-CG2 4.07Å; V133-V164 HydrophobicContact CG1-CG1 4.17Å; V133-V164 HydrophobicContact CG2-CG2 4.38Å; V133-V164 CarbonylContact O-C 3.45Å; V133-V164 WeakPolarHBondContact O-CA 3.45Å; V133-V165 PolarHBondContact O-N 3.22Å |
| 134 | L | 93.7 | Very high | 78.6 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 124.4 | -180 | -58.8 | -177.1 | 0 | 0 | 0 | 109 | L103 V104 I105 L132 V165 L167 L173 Y176 I177 | L103-L134 PolarHBondContact O-N 3.08Å; V104-L134 WeakPolarHBondContact CA-O 3.32Å; I105-L134 PolarHBondContact N-O 3.04Å; L132-L134 HydrophobicContact CD1-CD2 3.93Å; L132-L134 HydrophobicContact CD2-CD1 4.3Å; L132-L134 HydrophobicContact CD2-CD2 3.95Å; L132-L134 HydrophobicContact CD2-CG 4.16Å; L132-L134 HydrophobicContact CG-CD2 3.87Å; L132-L134 HydrophobicContact CG-CG 4.08Å; L134-V165 HydrophobicContact CD2-CB 3.75Å; L134-V165 HydrophobicContact CD2-CG1 4.47Å; L134-V165 HydrophobicContact CD2-CG2 3.92Å; L134-L167 HydrophobicContact CB-CD1 3.89Å; L134-L173 HydrophobicContact CB-CD1 4.19Å; L134-L173 HydrophobicContact CD1-CD1 3.54Å; L134-Y176 HydrophobicContact CD1-CG 4.25Å; L134-Y176 HydrophobicContact CD2-CD1 4.33Å; L134-Y176 HydrophobicContact CD2-CD2 4.38Å; L134-Y176 HydrophobicContact CD2-CG 4.11Å; L134-I177 HydrophobicContact CD1-CD1 3.73Å; L134-I177 HydrophobicContact CD1-CG1 4Å |
| 135 | V | 92.4 | Very high | 77 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 110.3 | -173.1 | -170.7 | 0 | 0 | 0 | 0 | 110.4 | I105 V115 L119 V133 R137 V164 V165 M166 L167 | I105-V135 HydrophobicContact CB-CG1 4.39Å; I105-V135 HydrophobicContact CB-CG2 4.36Å; I105-V135 HydrophobicContact CD1-CG2 4.37Å; I105-V135 HydrophobicContact CG2-CG1 4.36Å; I105-V135 CarbonylContact O-C 3.56Å; I105-V135 WeakPolarHBondContact O-CA 3.34Å; V115-V135 HydrophobicContact CG1-CG1 3.87Å; L119-V135 HydrophobicContact CD2-CG2 4.1Å; V133-V135 HydrophobicContact CG1-CG2 4.03Å; V135-R137 PolarHBondContact O-N 3.2Å; V135-V164 HydrophobicContact CG2-CG1 4.08Å; V135-V165 PolarHBondContact N-O 2.75Å; V135-M166 HydrophobicContact CB-CE 3.79Å; V135-M166 HydrophobicContact CB-SD 3.87Å; V135-M166 HydrophobicContact CG1-CE 3.7Å; V135-M166 HydrophobicContact CG1-SD 4.36Å; V135-M166 HydrophobicContact CG2-CE 4.43Å; V135-M166 HydrophobicContact CG2-SD 4Å; V135-M166 CarbonylContact O-C 3.6Å; V135-L167 PolarHBondContact O-N 3.21Å |
| 136 | L | 90.5 | Very high | 75.5 | Confident | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 101.7 | 170.9 | -69.2 | 168.5 | 0 | 0 | 0 | 108.8 | I105 R107 R108 L167 S169 V170 L173 L186 | I105-L136 PolarHBondContact O-N 2.72Å; R107-L136 CarbonylContact C-O 3.49Å; R107-L136 PolarHBondContact N-O 3.1Å; R108-L136 HydrophobicContact CG-CB 3.87Å; R108-L136 PolarHBondContact N-O 3.35Å; L136-L167 HydrophobicContact CD2-CB 3.95Å; L136-L167 HydrophobicContact CD2-CD1 4.33Å; L136-S169 WeakPolarHBondContact CD2-O 3.32Å; L136-V170 HydrophobicContact CD1-CG2 4.31Å; L136-V170 HydrophobicContact CD2-CG2 4.39Å; L136-L173 HydrophobicContact CD1-CD2 4.29Å; L136-L186 HydrophobicContact CD1-CD2 3.71Å |
| 137 | R | 82 | Confident | 74 | Confident | 16 Ų | 16 | 56.7 Ų | 56.7 | 6% | 0.06 | 31% | 0.306 | C | S | . | . | trans | -89.8 | 159.8 | -174.1 | 53.2 | 158.3 | 167.9 | 156.7 | -3.2 | 113.8 | V135 R144 S147 D148 M166 L167 | V135-R137 PolarHBondContact O-N 3.2Å; R137-R144 PolarHBondContact NH1-O 3.35Å; R137-S147 PolarHBondContact NH1-OG 3.34Å; R137-D148 IonicContact CZ-OD1 2.7Å; R137-D148 IonicContact CZ-OD2 3.39Å; R137-D148 VanDerWaalsContact CZ-OD2 3.25Å; R137-D148 IonicContact NE-OD1 2.73Å; R137-D148 IonicContact NH1-OD1 3.25Å; R137-D148 PolarHBondContact NH1-OD1 3.18Å; R137-D148 IonicContact NH1-OD2 2.72Å; R137-D148 PolarHBondContact NH1-OD2 3.21Å; R137-D148 VanDerWaalsContact NH2-CG 3.31Å; R137-D148 IonicContact NH2-OD1 2.84Å; R137-D148 PolarHBondContact NH2-OD1 3.23Å; R137-D148 IonicContact NH2-OD2 2.77Å; R137-D148 PolarHBondContact NH2-OD2 2.95Å; R137-M166 HydrophobicContact CB-CE 4.13Å; R137-M166 PolarHBondContact NE-O 3.17Å; R137-M166 VanDerWaalsContact NE-O 3.09Å; R137-L167 WeakPolarHBondContact CG-O 3.28Å; R137-L167 PolarHBondContact N-O 3.48Å; R137-L167 VanDerWaalsContact N-O 3.12Å | ||
| 138 | P | 78.8 | Confident | 72.6 | Confident | 9 Ų | 9 | 56.3 Ų | 56.3 | 6% | 0.058 | 30% | 0.301 | C | S | . | . | trans | -56.1 | 138.8 | 169.4 | -24.1 | 33.5 | 0 | 0 | 0 | 113 | R107 R108 D110 | R107-P138 VanDerWaalsContact O-CD 3.29Å; R107-P138 WeakPolarHBondContact O-CD 3.46Å; R107-P138 VanDerWaalsContact O-CG 3.32Å; R107-P138 WeakPolarHBondContact O-CG 3.49Å; R108-P138 WeakPolarHBondContact O-CA 3.4Å; D110-P138 WeakPolarHBondContact O-CG 3.29Å | ||
| 139 | T | 65.6 | Low | 71.3 | Confident | 76 Ų | 76 | 59.6 Ų | 59.6 | 47% | 0.466 | 31% | 0.312 | S | S | . | . | trans | -104.5 | 3.1 | -169.1 | 54.2 | 0 | 0 | 0 | 0 | 114.8 | S168 | T139-S168 WeakPolarHBondContact CG2-O 3.28Š| ||
| 140 | T | 63.5 | Low | 69.7 | Low | 79 Ų | 79 | 58.1 Ų | 58.1 | 49% | 0.485 | 30% | 0.303 | S | S | . | . | trans | -61.6 | 138.9 | -178 | 74.5 | 0 | 0 | 0 | 0 | 111.7 | L142 Q143 R144 | T140-L142 VanDerWaalsContact C-N 3.27Å; T140-L142 PolarHBondContact O-N 3.47Å; T140-L142 VanDerWaalsContact O-N 3.08Å; T140-Q143 PolarHBondContact O-N 2.99Å; T140-Q143 WeakPolarHBondContact OG1-CB 3.29Å; T140-Q143 WeakPolarHBondContact OG1-CG 3.27Å; T140-Q143 PolarHBondContact OG1-OE1 2.94Å; T140-R144 PolarHBondContact O-N 3.09Å; T140-R144 VanDerWaalsContact O-N 3.11Å | ||
| 141 | L | 52.2 | Low | 68.3 | Low | 160 Ų | 160 | 58 Ų | 58 | 84% | 0.838 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -55.3 | -37 | -165 | -94.5 | 88.9 | 0 | 0 | 0 | 114.5 | ||
| 142 | L | 50.4 | Low | 66.8 | Low | 142 Ų | 142 | 62.4 Ų | 62.4 | 74% | 0.743 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -79.5 | -27.8 | -179.9 | -68 | 171.7 | 0 | 0 | 0 | 113.1 | T140 L146 | T140-L142 VanDerWaalsContact C-N 3.27Å; T140-L142 PolarHBondContact O-N 3.47Å; T140-L142 VanDerWaalsContact O-N 3.08Å; L142-L146 WeakPolarHBondContact O-CD1 3.41Å; L142-L146 VanDerWaalsContact O-CG 3.3Å; L142-L146 WeakPolarHBondContact O-CG 3.41Å |
| 143 | Q | 52.8 | Low | 64.7 | Low | 59 Ų | 59 | 69.1 Ų | 69.1 | 28% | 0.276 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -78.1 | -28.2 | 176.4 | -71.2 | 174.6 | -29.4 | 0 | 0 | 112.3 | T140 L146 S147 | T140-Q143 PolarHBondContact O-N 2.99Å; T140-Q143 WeakPolarHBondContact OG1-CB 3.29Å; T140-Q143 WeakPolarHBondContact OG1-CG 3.27Å; T140-Q143 PolarHBondContact OG1-OE1 2.94Å; Q143-L146 PolarHBondContact O-N 3.25Å; Q143-S147 WeakPolarHBondContact O-CB 3.42Å; Q143-S147 PolarHBondContact O-N 3.07Å; Q143-S147 PolarHBondContact O-OG 3.33Å |
| 144 | R | 55.6 | Low | 62.7 | Low | 110 Ų | 110 | 71.4 Ų | 71.4 | 42% | 0.415 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.5 | -47.7 | -176.5 | -154.2 | 173.4 | -172.5 | 167 | 0.6 | 112 | R137 T140 S147 D148 S168 | R137-R144 PolarHBondContact NH1-O 3.35Å; T140-R144 PolarHBondContact O-N 3.09Å; T140-R144 VanDerWaalsContact O-N 3.11Å; R144-S147 PolarHBondContact O-OG 2.83Å; R144-D148 PolarHBondContact O-N 3.01Å; R144-D148 VanDerWaalsContact O-OD2 3.08Å; R144-S168 VanDerWaalsContact NH2-CB 3.29Å; R144-S168 PolarHBondContact NH2-OG 2.9Å |
| 145 | T | 49.6 | Very low | 60.8 | Low | 89 Ų | 89 | 78.6 Ų | 78.6 | 55% | 0.546 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -71.6 | -36.4 | 173.8 | 36.8 | 0 | 0 | 0 | 0 | 113.3 | I149 | T145-I149 WeakPolarHBondContact O-CD1 3.26Å; T145-I149 WeakPolarHBondContact O-CG1 3.33Å; T145-I149 PolarHBondContact O-N 2.98Å |
| 146 | L | 52.8 | Low | 59 | Low | 109 Ų | 109 | 85.7 Ų | 85.7 | 57% | 0.571 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -65.9 | -45.5 | 178.6 | -74.7 | 173.9 | 0 | 0 | 0 | 112.4 | L142 Q143 I149 L150 | L142-L146 WeakPolarHBondContact O-CD1 3.41Å; L142-L146 VanDerWaalsContact O-CG 3.3Å; L142-L146 WeakPolarHBondContact O-CG 3.41Å; Q143-L146 PolarHBondContact O-N 3.25Å; L146-I149 PolarHBondContact O-N 2.88Å; L146-L150 WeakPolarHBondContact O-CB 3.35Å; L146-L150 PolarHBondContact O-N 3.3Å |
| 147 | S | 55.8 | Low | 57.4 | Low | 7 Ų | 7 | 89.5 Ų | 89.5 | 5% | 0.049 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 178.4 | 51.5 | 0 | 0 | 0 | 0 | 112.4 | R137 Q143 R144 I149 L150 F151 | R137-S147 PolarHBondContact NH1-OG 3.34Å; Q143-S147 WeakPolarHBondContact O-CB 3.42Å; Q143-S147 PolarHBondContact O-N 3.07Å; Q143-S147 PolarHBondContact O-OG 3.33Å; R144-S147 PolarHBondContact O-OG 2.83Å; S147-I149 PolarHBondContact O-N 2.6Å; S147-L150 PolarHBondContact O-N 3.1Å; S147-F151 WeakPolarHBondContact O-CB 3.38Å; S147-F151 PolarHBondContact O-N 3.04Å |
| 148 | D | 57.2 | Low | 56.4 | Low | 54 Ų | 54 | 89.4 Ų | 89.4 | 29% | 0.289 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -71.5 | -17.4 | -177.7 | -66.1 | -25.4 | 0 | 0 | 0 | 113.7 | R137 R144 K152 | R137-D148 IonicContact CZ-OD1 2.7Å; R137-D148 IonicContact CZ-OD2 3.39Å; R137-D148 VanDerWaalsContact CZ-OD2 3.25Å; R137-D148 IonicContact NE-OD1 2.73Å; R137-D148 IonicContact NH1-OD1 3.25Å; R137-D148 PolarHBondContact NH1-OD1 3.18Å; R137-D148 IonicContact NH1-OD2 2.72Å; R137-D148 PolarHBondContact NH1-OD2 3.21Å; R137-D148 VanDerWaalsContact NH2-CG 3.31Å; R137-D148 IonicContact NH2-OD1 2.84Å; R137-D148 PolarHBondContact NH2-OD1 3.23Å; R137-D148 IonicContact NH2-OD2 2.77Å; R137-D148 PolarHBondContact NH2-OD2 2.95Å; R144-D148 PolarHBondContact O-N 3.01Å; R144-D148 VanDerWaalsContact O-OD2 3.08Å; D148-K152 VanDerWaalsContact O-CD 3.29Å; D148-K152 WeakPolarHBondContact O-CD 3.2Å; D148-K152 VanDerWaalsContact O-CG 3.31Å; D148-K152 WeakPolarHBondContact O-CG 3.44Å |
| 149 | I | 54.8 | Low | 55.5 | Low | 93 Ų | 93 | 97.8 Ų | 97.8 | 48% | 0.477 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -87.5 | -53.4 | 169.1 | -66.8 | 169.8 | 0 | 0 | 0 | 110 | T145 L146 S147 F151 K152 F153 | T145-I149 WeakPolarHBondContact O-CD1 3.26Å; T145-I149 WeakPolarHBondContact O-CG1 3.33Å; T145-I149 PolarHBondContact O-N 2.98Å; L146-I149 PolarHBondContact O-N 2.88Å; S147-I149 PolarHBondContact O-N 2.6Å; I149-F151 VanDerWaalsContact C-N 3.29Å; I149-F151 PolarHBondContact O-N 3.23Å; I149-K152 PolarHBondContact O-N 2.8Å; I149-K152 VanDerWaalsContact O-N 3.12Å; I149-F153 HydrophobicContact CG2-CD2 3.85Å; I149-F153 HydrophobicContact CG2-CE2 3.97Å; I149-F153 WeakPolarHBondContact O-CD2 3.23Å; I149-F153 PolarHBondContact O-N 3.45Å; I149-F153 VanDerWaalsContact O-N 3.12Å |
| 150 | L | 54.3 | Low | 55.6 | Low | 76 Ų | 76 | 96 Ų | 96 | 40% | 0.398 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.4 | -34.9 | -175.9 | -127 | 75.6 | 0 | 0 | 0 | 112.5 | L146 S147 F153 N154 | L146-L150 WeakPolarHBondContact O-CB 3.35Å; L146-L150 PolarHBondContact O-N 3.3Å; S147-L150 PolarHBondContact O-N 3.1Å; L150-F153 PolarHBondContact O-N 2.94Å; L150-N154 WeakPolarHBondContact O-CB 3.49Å; L150-N154 PolarHBondContact O-N 3.5Å; L150-N154 PolarHBondContact O-ND2 3.09Å |
| 151 | F | 59.9 | Low | 55.8 | Low | 34 Ų | 34 | 102.5 Ų | 102.5 | 15% | 0.149 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -69.3 | -36.8 | 176.7 | -172.7 | -106.2 | 0 | 0 | 0 | 112.2 | W112 S147 I149 F153 N154 K155 F158 V164 M166 | W112-F151 HydrophobicContact CH2-CB 4.21Å; W112-F151 HydrophobicContact CH2-CD2 4.32Å; W112-F151 HydrophobicContact CZ2-CB 4.32Å; S147-F151 WeakPolarHBondContact O-CB 3.38Å; S147-F151 PolarHBondContact O-N 3.04Å; I149-F151 VanDerWaalsContact C-N 3.29Å; I149-F151 PolarHBondContact O-N 3.23Å; F151-F153 VanDerWaalsContact C-N 3.33Å; F151-F153 PolarHBondContact O-N 2.84Å; F151-N154 PolarHBondContact O-N 3.31Å; F151-K155 PolarHBondContact O-N 3.36Å; F151-F158 HydrophobicContact CD2-CE2 4.19Å; F151-F158 HydrophobicContact CE2-CE2 4.24Å; F151-V164 HydrophobicContact CE2-CG1 4.31Å; F151-V164 HydrophobicContact CZ-CB 4.02Å; F151-V164 HydrophobicContact CZ-CG1 4.01Å; F151-M166 HydrophobicContact CD1-CG 4.05Å; F151-M166 HydrophobicContact CD2-CG 4.49Å; F151-M166 HydrophobicContact CD2-SD 4.39Å; F151-M166 HydrophobicContact CE1-CG 4.08Å; F151-M166 HydrophobicContact CE2-SD 4.2Å; F151-M166 HydrophobicContact CG-CG 4.26Å; F151-M166 HydrophobicContact CZ-CG 4.32Å; F151-M166 HydrophobicContact CZ-SD 4.36Å |
| 152 | K | 57 | Low | 57.1 | Low | 167 Ų | 167 | 96.5 Ų | 96.5 | 73% | 0.726 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -67.2 | -32.3 | 174.2 | -73.6 | 178.1 | -175 | 173 | 0 | 112.8 | D148 I149 | D148-K152 VanDerWaalsContact O-CD 3.29Å; D148-K152 WeakPolarHBondContact O-CD 3.2Å; D148-K152 VanDerWaalsContact O-CG 3.31Å; D148-K152 WeakPolarHBondContact O-CG 3.44Å; I149-K152 PolarHBondContact O-N 2.8Å; I149-K152 VanDerWaalsContact O-N 3.12Å |
| 153 | F | 48.5 | Very low | 58.7 | Low | 170 Ų | 170 | 93.5 Ų | 93.5 | 75% | 0.746 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -83.7 | -21.7 | 177.4 | -83.1 | -74.5 | 0 | 0 | 0 | 114.7 | I149 L150 F151 | I149-F153 HydrophobicContact CG2-CD2 3.85Å; I149-F153 HydrophobicContact CG2-CE2 3.97Å; I149-F153 WeakPolarHBondContact O-CD2 3.23Å; I149-F153 PolarHBondContact O-N 3.45Å; I149-F153 VanDerWaalsContact O-N 3.12Å; L150-F153 PolarHBondContact O-N 2.94Å; F151-F153 VanDerWaalsContact C-N 3.33Å; F151-F153 PolarHBondContact O-N 2.84Å |
| 154 | N | 49.5 | Very low | 60.3 | Low | 48 Ų | 48 | 92.1 Ų | 92.1 | 26% | 0.257 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -109.7 | 15.9 | -178.5 | -66 | -73.6 | 0 | 0 | 0 | 113.8 | L150 F151 D156 E157 F158 | L150-N154 WeakPolarHBondContact O-CB 3.49Å; L150-N154 PolarHBondContact O-N 3.5Å; L150-N154 PolarHBondContact O-ND2 3.09Å; F151-N154 PolarHBondContact O-N 3.31Å; N154-D156 PolarHBondContact O-N 3.18Å; N154-E157 HydrophobicContact CB-CB 4.24Å; N154-E157 WeakPolarHBondContact CB-OE2 3.21Å; N154-E157 WeakPolarHBondContact O-CB 3.25Å; N154-E157 PolarHBondContact O-N 3.49Å; N154-E157 PolarHBondContact OD1-OE2 3.19Å; N154-F158 HydrophobicContact CB-CE2 4.21Å; N154-F158 VanDerWaalsContact O-CD2 3.25Å; N154-F158 WeakPolarHBondContact O-CD2 3.49Å |
| 155 | K | 53.8 | Low | 61.8 | Low | 150 Ų | 150 | 88.3 Ų | 88.3 | 65% | 0.652 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -35.5 | -173.8 | -165.8 | 179.1 | 179.3 | -174.1 | 0 | 113.3 | F151 E157 | F151-K155 PolarHBondContact O-N 3.36Å; K155-E157 VanDerWaalsContact C-N 3.35Å |
| 156 | D | 54.3 | Low | 63.5 | Low | 149 Ų | 149 | 85 Ų | 85 | 80% | 0.797 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -17.7 | 179.3 | -55.7 | -46.8 | 0 | 0 | 0 | 113.5 | N154 | N154-D156 PolarHBondContact O-N 3.18Š|
| 157 | E | 56.4 | Low | 65.3 | Low | 83 Ų | 83 | 79.8 Ų | 79.8 | 39% | 0.388 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -36.3 | -178.1 | -165.8 | -172.4 | -172 | 0 | 0 | 111.8 | K116 N154 K155 K159 | K116-E157 WeakPolarHBondContact CE-OE1 3.48Å; K116-E157 VanDerWaalsContact CE-OE2 3.29Å; K116-E157 WeakPolarHBondContact CE-OE2 3.39Å; K116-E157 IonicContact NZ-OE1 3.33Å; K116-E157 PolarHBondContact NZ-OE1 3.47Å; K116-E157 IonicContact NZ-OE2 2.8Å; K116-E157 PolarHBondContact NZ-OE2 3.46Å; N154-E157 HydrophobicContact CB-CB 4.24Å; N154-E157 WeakPolarHBondContact CB-OE2 3.21Å; N154-E157 WeakPolarHBondContact O-CB 3.25Å; N154-E157 PolarHBondContact O-N 3.49Å; N154-E157 PolarHBondContact OD1-OE2 3.19Å; K155-E157 VanDerWaalsContact C-N 3.35Å; E157-K159 VanDerWaalsContact C-N 3.34Å; E157-K159 PolarHBondContact O-N 3.4Å |
| 158 | F | 61.2 | Low | 66.6 | Low | 13 Ų | 13 | 80.5 Ų | 80.5 | 6% | 0.057 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -16.2 | -175.3 | -63.6 | -81.4 | 0 | 0 | 0 | 114.1 | K116 L119 L120 A123 F151 N154 M160 | K116-F158 HydrophobicContact CD-CZ 4.41Å; K116-F158 HydrophobicContact CG-CE1 4Å; K116-F158 HydrophobicContact CG-CZ 4.04Å; L119-F158 HydrophobicContact CB-CD1 3.91Å; L119-F158 HydrophobicContact CB-CE1 3.79Å; L119-F158 HydrophobicContact CD1-CE1 4.28Å; L120-F158 HydrophobicContact CD2-CD1 3.76Å; L120-F158 HydrophobicContact CD2-CE1 4.18Å; L120-F158 HydrophobicContact CG-CD1 4.02Å; L120-F158 HydrophobicContact CG-CE1 4.02Å; A123-F158 VanDerWaalsContact CB-O 3.26Å; A123-F158 WeakPolarHBondContact CB-O 3.42Å; F151-F158 HydrophobicContact CD2-CE2 4.19Å; F151-F158 HydrophobicContact CE2-CE2 4.24Å; N154-F158 HydrophobicContact CB-CE2 4.21Å; N154-F158 VanDerWaalsContact O-CD2 3.25Å; N154-F158 WeakPolarHBondContact O-CD2 3.49Å; F158-M160 PolarHBondContact O-N 3.46Å |
| 159 | K | 60.8 | Low | 68 | Low | 186 Ų | 186 | 80.3 Ų | 80.3 | 81% | 0.809 | 39% | 0.393 | S | S | * | . | trans | 55 | -1.9 | 179.6 | -62.5 | -179.7 | -179.4 | 174.6 | 0 | 117.8 | E157 K161 | E157-K159 VanDerWaalsContact C-N 3.34Å; E157-K159 PolarHBondContact O-N 3.4Å; K159-K161 PolarHBondContact O-N 3.02Å | ||
| 160 | M | 68.1 | Low | 69.6 | Low | 38 Ų | 38 | 77.2 Ų | 77.2 | 19% | 0.187 | 38% | 0.378 | C | S | . | . | trans | -63.6 | 124.4 | 177.4 | -60.9 | -178.9 | 97.6 | 0 | 0 | 110.3 | I122 A123 L130 V133 F158 V162 V164 | I122-M160 HydrophobicContact CG2-CE 3.92Å; A123-M160 HydrophobicContact CB-CE 4.43Å; A123-M160 HydrophobicContact CB-CG 3.48Å; A123-M160 VanDerWaalsContact CB-CG 3.48Å; A123-M160 HydrophobicContact CB-SD 3.95Å; L130-M160 HydrophobicContact CD1-CE 3.49Å; L130-M160 VanDerWaalsContact CD1-CE 3.49Å; V133-M160 HydrophobicContact CG2-CE 3.9Å; F158-M160 PolarHBondContact O-N 3.46Å; M160-V162 HydrophobicContact CB-CG2 4.1Å; M160-V162 HydrophobicContact CE-CG2 4.46Å; M160-V162 PolarHBondContact O-N 2.9Å; M160-V164 HydrophobicContact SD-CG2 4.02Å | ||
| 161 | K | 67.3 | Low | 71.3 | Confident | 216 Ų | 216 | 77.9 Ų | 77.9 | 94% | 0.939 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -78 | 5.7 | 178 | -65.3 | -178.6 | -179.8 | 174.5 | 0 | 113.9 | K159 | K159-K161 PolarHBondContact O-N 3.02Š|
| 162 | V | 79.8 | Confident | 72.7 | Confident | 34 Ų | 34 | 79.2 Ų | 79.2 | 21% | 0.206 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -117.3 | 156.4 | -168.1 | -63.8 | 0 | 0 | 0 | 0 | 111.6 | L130 V133 M160 V164 | L130-V162 HydrophobicContact CB-CG1 3.94Å; L130-V162 HydrophobicContact CB-CG2 4.04Å; L130-V162 HydrophobicContact CD1-CG2 4.41Å; L130-V162 VanDerWaalsContact O-CG1 3.23Å; L130-V162 WeakPolarHBondContact O-CG1 3.45Å; V133-V162 HydrophobicContact CG2-CG2 4.26Å; M160-V162 HydrophobicContact CB-CG2 4.1Å; M160-V162 HydrophobicContact CE-CG2 4.46Å; M160-V162 PolarHBondContact O-N 2.9Å; V162-V164 PolarHBondContact O-N 3.27Å |
| 163 | P | 82.8 | Confident | 74.4 | Confident | 79 Ų | 79 | 71.2 Ų | 71.2 | 51% | 0.513 | 36% | 0.362 | S | S | . | . | trans | -63.7 | 131.1 | 174.5 | -18.9 | 32.8 | 0 | 0 | 0 | 111.7 | Q131 L132 V133 | Q131-P163 WeakPolarHBondContact O-CD 3.39Å; L132-P163 HydrophobicContact CD1-CB 3.98Å; V133-P163 PolarHBondContact N-O 2.98Å | ||
| 164 | V | 86.1 | Confident | 76.5 | Confident | 29 Ų | 29 | 65.6 Ų | 65.6 | 18% | 0.176 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 121.8 | 171.3 | -177.3 | 0 | 0 | 0 | 0 | 107.6 | L119 V133 V135 F151 M160 V162 M166 | L119-V164 HydrophobicContact CD1-CG1 4.5Å; L119-V164 HydrophobicContact CD2-CG1 4.19Å; V133-V164 HydrophobicContact CB-CB 4.39Å; V133-V164 HydrophobicContact CB-CG1 4.26Å; V133-V164 HydrophobicContact CB-CG2 4.07Å; V133-V164 HydrophobicContact CG1-CG1 4.17Å; V133-V164 HydrophobicContact CG2-CG2 4.38Å; V133-V164 CarbonylContact O-C 3.45Å; V133-V164 WeakPolarHBondContact O-CA 3.45Å; V135-V164 HydrophobicContact CG2-CG1 4.08Å; F151-V164 HydrophobicContact CE2-CG1 4.31Å; F151-V164 HydrophobicContact CZ-CB 4.02Å; F151-V164 HydrophobicContact CZ-CG1 4.01Å; M160-V164 HydrophobicContact SD-CG2 4.02Å; V162-V164 PolarHBondContact O-N 3.27Å; V164-M166 HydrophobicContact CG1-SD 4.25Å |
| 165 | V | 88.1 | Confident | 78.5 | Confident | 30 Ų | 30 | 67.5 Ų | 67.5 | 18% | 0.182 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 127.4 | -171.8 | -172.1 | 0 | 0 | 0 | 0 | 110.4 | L132 V133 L134 V135 L167 Y176 | L132-V165 HydrophobicContact CD1-CG2 4.07Å; V133-V165 PolarHBondContact O-N 3.22Å; L134-V165 HydrophobicContact CD2-CB 3.75Å; L134-V165 HydrophobicContact CD2-CG1 4.47Å; L134-V165 HydrophobicContact CD2-CG2 3.92Å; V135-V165 PolarHBondContact N-O 2.75Å; V165-L167 HydrophobicContact CG1-CD2 3.76Å; V165-L167 HydrophobicContact CG1-CG 4.39Å; V165-L167 PolarHBondContact O-N 2.99Å; V165-Y176 HydrophobicContact CG1-CE2 4.2Å |
| 166 | M | 85.9 | Confident | 80.3 | Confident | 20 Ų | 20 | 65 Ų | 65 | 10% | 0.099 | 34% | 0.342 | C | S | . | . | trans | -100 | 71.6 | -170.7 | -58.4 | -55.2 | -52.2 | 0 | 0 | 112.4 | W112 V115 V135 R137 F151 V164 | W112-M166 HydrophobicContact CH2-CE 4.12Å; W112-M166 HydrophobicContact CZ3-CE 3.74Å; V115-M166 HydrophobicContact CG1-CE 4.22Å; V135-M166 HydrophobicContact CB-CE 3.79Å; V135-M166 HydrophobicContact CB-SD 3.87Å; V135-M166 HydrophobicContact CG1-CE 3.7Å; V135-M166 HydrophobicContact CG1-SD 4.36Å; V135-M166 HydrophobicContact CG2-CE 4.43Å; V135-M166 HydrophobicContact CG2-SD 4Å; V135-M166 CarbonylContact O-C 3.6Å; R137-M166 HydrophobicContact CB-CE 4.13Å; R137-M166 PolarHBondContact NE-O 3.17Å; R137-M166 VanDerWaalsContact NE-O 3.09Å; F151-M166 HydrophobicContact CD1-CG 4.05Å; F151-M166 HydrophobicContact CD2-CG 4.49Å; F151-M166 HydrophobicContact CD2-SD 4.39Å; F151-M166 HydrophobicContact CE1-CG 4.08Å; F151-M166 HydrophobicContact CE2-SD 4.2Å; F151-M166 HydrophobicContact CG-CG 4.26Å; F151-M166 HydrophobicContact CZ-CG 4.32Å; F151-M166 HydrophobicContact CZ-SD 4.36Å; V164-M166 HydrophobicContact CG1-SD 4.25Å | ||
| 167 | L | 88.9 | Confident | 82.2 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.304 | C | S | . | . | trans | -60.7 | 132.1 | -175 | -57.1 | 178 | 0 | 0 | 0 | 112.6 | L134 V135 L136 R137 V165 E172 L173 Y176 | L134-L167 HydrophobicContact CB-CD1 3.89Å; V135-L167 PolarHBondContact O-N 3.21Å; L136-L167 HydrophobicContact CD2-CB 3.95Å; L136-L167 HydrophobicContact CD2-CD1 4.33Å; R137-L167 WeakPolarHBondContact CG-O 3.28Å; R137-L167 PolarHBondContact N-O 3.48Å; R137-L167 VanDerWaalsContact N-O 3.12Å; V165-L167 HydrophobicContact CG1-CD2 3.76Å; V165-L167 HydrophobicContact CG1-CG 4.39Å; V165-L167 PolarHBondContact O-N 2.99Å; L167-E172 HydrophobicContact CB-CB 4.41Å; L167-E172 HydrophobicContact CD2-CB 4.09Å; L167-E172 HydrophobicContact CD2-CG 3.84Å; L167-L173 HydrophobicContact CD1-CB 3.87Å; L167-L173 HydrophobicContact CD1-CD1 3.65Å; L167-L173 HydrophobicContact CD1-CG 4.36Å; L167-Y176 HydrophobicContact CD2-CD2 3.94Å; L167-Y176 HydrophobicContact CD2-CE2 3.68Å | ||
| 168 | S | 83.1 | Confident | 84 | Confident | 21 Ų | 21 | 57.8 Ų | 57.8 | 15% | 0.147 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -104.2 | -1.2 | -175.2 | 74.5 | 0 | 0 | 0 | 0 | 114.7 | T139 R144 E172 | T139-S168 WeakPolarHBondContact CG2-O 3.28Å; R144-S168 VanDerWaalsContact NH2-CB 3.29Å; R144-S168 PolarHBondContact NH2-OG 2.9Å; S168-E172 WeakPolarHBondContact CA-OE2 3.44Å; S168-E172 WeakPolarHBondContact CB-OE2 3.24Å; S168-E172 PolarHBondContact N-OE2 2.82Å; S168-E172 PolarHBondContact OG-OE2 2.86Å |
| 169 | S | 87.2 | Confident | 85.5 | Confident | 51 Ų | 51 | 63.3 Ų | 63.3 | 36% | 0.357 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -157.5 | 162.4 | 167.9 | 69.5 | 0 | 0 | 0 | 0 | 111.3 | L136 S171 E172 | L136-S169 WeakPolarHBondContact CD2-O 3.32Å; S169-S171 VanDerWaalsContact C-N 3.25Å; S169-S171 PolarHBondContact O-N 3.13Å; S169-E172 PolarHBondContact N-OE2 2.66Å; S169-E172 WeakPolarHBondContact O-CB 3.39Å; S169-E172 PolarHBondContact O-N 3.24Å; S169-E172 VanDerWaalsContact O-N 3.07Å; S169-E172 PolarHBondContact OG-N 3.45Å |
| 170 | V | 88.8 | Confident | 86.9 | Confident | 27 Ų | 27 | 57.9 Ų | 57.9 | 16% | 0.164 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.1 | -31.7 | 172.8 | 178.8 | 0 | 0 | 0 | 0 | 111.6 | R108 L136 E172 L173 H174 L186 | R108-V170 VanDerWaalsContact NH1-CG2 3.32Å; L136-V170 HydrophobicContact CD1-CG2 4.31Å; L136-V170 HydrophobicContact CD2-CG2 4.39Å; V170-E172 PolarHBondContact O-N 2.93Å; V170-E172 VanDerWaalsContact O-N 3.17Å; V170-L173 VanDerWaalsContact O-CB 3.28Å; V170-L173 WeakPolarHBondContact O-CB 3.47Å; V170-L173 PolarHBondContact O-N 3.45Å; V170-H174 VanDerWaalsContact CG1-CE1 3.4Å; V170-H174 WeakPolarHBondContact CG1-CE1 3.39Å; V170-H174 WeakPolarHBondContact CG1-NE2 3.49Å; V170-H174 PolarHBondContact O-N 2.87Å; V170-L186 WeakPolarHBondContact CG1-O 3.27Å |
| 171 | S | 89 | Confident | 88.1 | Confident | 91 Ų | 91 | 58.6 Ų | 58.6 | 64% | 0.636 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -62.6 | -20.5 | 173 | -48 | 0 | 0 | 0 | 0 | 113.5 | S169 | S169-S171 VanDerWaalsContact C-N 3.25Å; S169-S171 PolarHBondContact O-N 3.13Å |
| 172 | E | 91.1 | Very high | 89.3 | Confident | 61 Ų | 61 | 48.4 Ų | 48.4 | 29% | 0.285 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -83.7 | -21.9 | 175.2 | -149.5 | 180 | 140.6 | 0 | 0 | 111.6 | L167 S168 S169 V170 S175 Y176 | L167-E172 HydrophobicContact CB-CB 4.41Å; L167-E172 HydrophobicContact CD2-CB 4.09Å; L167-E172 HydrophobicContact CD2-CG 3.84Å; S168-E172 WeakPolarHBondContact CA-OE2 3.44Å; S168-E172 WeakPolarHBondContact CB-OE2 3.24Å; S168-E172 PolarHBondContact N-OE2 2.82Å; S168-E172 PolarHBondContact OG-OE2 2.86Å; S169-E172 PolarHBondContact N-OE2 2.66Å; S169-E172 WeakPolarHBondContact O-CB 3.39Å; S169-E172 PolarHBondContact O-N 3.24Å; S169-E172 VanDerWaalsContact O-N 3.07Å; S169-E172 PolarHBondContact OG-N 3.45Å; V170-E172 PolarHBondContact O-N 2.93Å; V170-E172 VanDerWaalsContact O-N 3.17Å; E172-S175 PolarHBondContact O-OG 3.15Å; E172-Y176 WeakPolarHBondContact O-CD2 3.49Å |
| 173 | L | 92.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -71 | -37 | 172.2 | -177.8 | 60.9 | 0 | 0 | 0 | 111.1 | V104 L134 L136 L167 V170 S175 Y176 I177 L182 L186 | V104-L173 HydrophobicContact CG1-CD1 4.24Å; V104-L173 HydrophobicContact CG1-CD2 4.07Å; V104-L173 HydrophobicContact CG2-CD1 4.26Å; L134-L173 HydrophobicContact CB-CD1 4.19Å; L134-L173 HydrophobicContact CD1-CD1 3.54Å; L136-L173 HydrophobicContact CD1-CD2 4.29Å; L167-L173 HydrophobicContact CD1-CB 3.87Å; L167-L173 HydrophobicContact CD1-CD1 3.65Å; L167-L173 HydrophobicContact CD1-CG 4.36Å; V170-L173 VanDerWaalsContact O-CB 3.28Å; V170-L173 WeakPolarHBondContact O-CB 3.47Å; V170-L173 PolarHBondContact O-N 3.45Å; L173-S175 PolarHBondContact O-N 2.88Å; L173-S175 VanDerWaalsContact O-N 3.09Å; L173-Y176 PolarHBondContact O-N 2.94Å; L173-I177 HydrophobicContact CD1-CD1 4.18Å; L173-I177 PolarHBondContact O-N 3.42Å; L173-L182 HydrophobicContact CD2-CD1 3.83Å; L173-L182 HydrophobicContact CD2-CD2 4.06Å; L173-L182 HydrophobicContact CG-CD1 3.87Å; L173-L186 HydrophobicContact CD2-CB 4.16Å; L173-L186 HydrophobicContact CD2-CD2 4.39Å |
| 174 | H | 92.7 | Very high | 90.4 | Very high | 52 Ų | 52 | 50.7 Ų | 50.7 | 24% | 0.241 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -5.4 | 179.8 | -54.9 | 145.8 | 0 | 0 | 0 | 114.7 | V170 R179 L186 G187 G188 | V170-H174 VanDerWaalsContact CG1-CE1 3.4Å; V170-H174 WeakPolarHBondContact CG1-CE1 3.39Å; V170-H174 WeakPolarHBondContact CG1-NE2 3.49Å; V170-H174 PolarHBondContact O-N 2.87Å; H174-R179 HydrophobicContact CB-CG 4.33Å; H174-R179 PolarHBondContact CE1-NH2 2.97Å; H174-R179 PolarHBondContact ND1-NE 3.02Å; H174-L186 PolarHBondContact NE2-O 2.87Å; H174-G187 PolarHBondContact CE1-O 2.87Å; H174-G187 VanDerWaalsContact CE1-O 3.3Å; H174-G187 WeakPolarHBondContact NE2-CA 3.32Å; H174-G187 PolarHBondContact NE2-O 3.19Å; H174-G188 PolarHBondContact NE2-N 2.97Å |
| 175 | S | 91.5 | Very high | 90.5 | Very high | 87 Ų | 87 | 55.2 Ų | 55.2 | 61% | 0.608 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 4.3 | 169.7 | 62.5 | 0 | 0 | 0 | 0 | 114.1 | E172 L173 | E172-S175 PolarHBondContact O-OG 3.15Å; L173-S175 PolarHBondContact O-N 2.88Å; L173-S175 VanDerWaalsContact O-N 3.09Å |
| 176 | Y | 92 | Very high | 90.7 | Very high | 98 Ų | 98 | 54 Ų | 54 | 38% | 0.384 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127 | -21.8 | 177.8 | -68 | -82 | 0 | 0 | 0 | 113.7 | L134 V165 L167 E172 L173 | L134-Y176 HydrophobicContact CD1-CG 4.25Å; L134-Y176 HydrophobicContact CD2-CD1 4.33Å; L134-Y176 HydrophobicContact CD2-CD2 4.38Å; L134-Y176 HydrophobicContact CD2-CG 4.11Å; V165-Y176 HydrophobicContact CG1-CE2 4.2Å; L167-Y176 HydrophobicContact CD2-CD2 3.94Å; L167-Y176 HydrophobicContact CD2-CE2 3.68Å; E172-Y176 WeakPolarHBondContact O-CD2 3.49Å; L173-Y176 PolarHBondContact O-N 2.94Å |
| 177 | I | 94.2 | Very high | 90.9 | Very high | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -143.6 | 132.8 | -179.8 | -56.9 | 175.9 | 0 | 0 | 0 | 107.9 | I64 I102 V104 L134 L173 Q181 L182 | I64-I177 HydrophobicContact CD1-CD1 3.91Å; I64-I177 HydrophobicContact CD1-CG1 4.42Å; I64-I177 HydrophobicContact CD1-CG2 3.54Å; I64-I177 HydrophobicContact CG1-CD1 4.36Å; I102-I177 HydrophobicContact CG2-CD1 4.06Å; V104-I177 HydrophobicContact CG2-CD1 3.56Å; L134-I177 HydrophobicContact CD1-CD1 3.73Å; L134-I177 HydrophobicContact CD1-CG1 4Å; L173-I177 HydrophobicContact CD1-CD1 4.18Å; L173-I177 PolarHBondContact O-N 3.42Å; I177-Q181 HydrophobicContact CG2-CB 3.89Å; I177-L182 HydrophobicContact CB-CD1 4.17Å; I177-L182 HydrophobicContact CB-CD2 4.31Å; I177-L182 HydrophobicContact CB-CG 4.27Å; I177-L182 HydrophobicContact CD1-CD2 4.15Å; I177-L182 HydrophobicContact CG2-CD1 4.13Å; I177-L182 HydrophobicContact CG2-CD2 3.87Å; I177-L182 HydrophobicContact CG2-CG 3.71Å |
| 178 | D | 92.7 | Very high | 91.1 | Very high | 78 Ų | 78 | 54.8 Ų | 54.8 | 42% | 0.417 | 29% | 0.287 | S | S | . | . | trans | -63.4 | 148.9 | 176.7 | -177.4 | -98.4 | 0 | 0 | 0 | 112.8 | T180 Q181 | D178-T180 PolarHBondContact O-N 3.41Å; D178-T180 VanDerWaalsContact OD1-CB 3.27Å; D178-T180 WeakPolarHBondContact OD1-CB 3.44Å; D178-T180 WeakPolarHBondContact OD1-CG2 3.33Å; D178-T180 PolarHBondContact OD1-N 3.47Å; D178-T180 PolarHBondContact OD1-OG1 2.54Å; D178-Q181 HydrophobicContact CB-CG 4.34Å; D178-Q181 PolarHBondContact O-N 3.07Å | ||
| 179 | R | 92.6 | Very high | 91.4 | Very high | 129 Ų | 129 | 58.4 Ų | 58.4 | 49% | 0.487 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -66 | -24.9 | -175.3 | -59.3 | -174.7 | 96.3 | -163.4 | -5.8 | 113.1 | H174 Q181 G187 G188 T189 | H174-R179 HydrophobicContact CB-CG 4.33Å; H174-R179 PolarHBondContact CE1-NH2 2.97Å; H174-R179 PolarHBondContact ND1-NE 3.02Å; R179-Q181 PolarHBondContact O-N 3.47Å; R179-G187 PolarHBondContact NE-O 3.21Å; R179-G187 PolarHBondContact NH2-O 2.92Å; R179-G188 CarbonylContact O-C 3.57Å; R179-G188 WeakPolarHBondContact O-CA 3.41Å; R179-T189 PolarHBondContact O-N 3.47Å |
| 180 | T | 90.6 | Very high | 91.5 | Very high | 73 Ų | 73 | 56.7 Ų | 56.7 | 45% | 0.448 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -71.4 | -16.5 | 174.1 | 64.6 | 0 | 0 | 0 | 0 | 113.4 | D178 | D178-T180 PolarHBondContact O-N 3.41Å; D178-T180 VanDerWaalsContact OD1-CB 3.27Å; D178-T180 WeakPolarHBondContact OD1-CB 3.44Å; D178-T180 WeakPolarHBondContact OD1-CG2 3.33Å; D178-T180 PolarHBondContact OD1-N 3.47Å; D178-T180 PolarHBondContact OD1-OG1 2.54Å |
| 181 | Q | 92.8 | Very high | 91.3 | Very high | 52 Ų | 52 | 60.5 Ų | 60.5 | 24% | 0.243 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -103.6 | 12 | -175.5 | -53.6 | -58.2 | -52.6 | 0 | 0 | 112.9 | R57 I64 I177 D178 R179 | R57-Q181 VanDerWaalsContact O-CB 3.29Å; R57-Q181 WeakPolarHBondContact O-CB 3.34Å; R57-Q181 VanDerWaalsContact O-CG 3.28Å; R57-Q181 WeakPolarHBondContact O-CG 3.21Å; I64-Q181 HydrophobicContact CD1-CB 4.24Å; I177-Q181 HydrophobicContact CG2-CB 3.89Å; D178-Q181 HydrophobicContact CB-CG 4.34Å; D178-Q181 PolarHBondContact O-N 3.07Å; R179-Q181 PolarHBondContact O-N 3.47Å |
| 182 | L | 93.2 | Very high | 91.3 | Very high | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -129.4 | 141.1 | -177.5 | -69.1 | 171.6 | 0 | 0 | 0 | 110.5 | L173 I177 L186 G188 T189 Q190 | L173-L182 HydrophobicContact CD2-CD1 3.83Å; L173-L182 HydrophobicContact CD2-CD2 4.06Å; L173-L182 HydrophobicContact CG-CD1 3.87Å; I177-L182 HydrophobicContact CB-CD1 4.17Å; I177-L182 HydrophobicContact CB-CD2 4.31Å; I177-L182 HydrophobicContact CB-CG 4.27Å; I177-L182 HydrophobicContact CD1-CD2 4.15Å; I177-L182 HydrophobicContact CG2-CD1 4.13Å; I177-L182 HydrophobicContact CG2-CD2 3.87Å; I177-L182 HydrophobicContact CG2-CG 3.71Å; L182-L186 HydrophobicContact CB-CB 4.35Å; L182-L186 HydrophobicContact CD2-CB 4.49Å; L182-L186 HydrophobicContact CD2-CD1 4.16Å; L182-G188 CarbonylContact O-C 3.4Å; L182-G188 VanDerWaalsContact O-CA 3.32Å; L182-G188 WeakPolarHBondContact O-CA 3.36Å; L182-T189 PolarHBondContact O-N 2.83Å; L182-T189 VanDerWaalsContact O-N 3.16Å; L182-Q190 VanDerWaalsContact O-CB 3.23Å; L182-Q190 WeakPolarHBondContact O-CB 3.47Å; L182-Q190 PolarHBondContact O-N 2.95Å |
| 183 | T | 93.1 | Very high | 91.3 | Very high | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.012 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -71.5 | 167.2 | 176.4 | 70.7 | 0 | 0 | 0 | 0 | 112.1 | F52 E185 L186 G187 G188 Y192 | F52-T183 HydrophobicContact CE2-CG2 4.04Å; F52-T183 HydrophobicContact CZ-CG2 4.37Å; T183-E185 VanDerWaalsContact C-N 3.29Å; T183-E185 WeakPolarHBondContact CB-OE2 3.2Å; T183-E185 PolarHBondContact O-N 3.38Å; T183-E185 PolarHBondContact OG1-OE2 2.86Å; T183-L186 CarbonylContact O-C 3.55Å; T183-L186 PolarHBondContact O-N 3.44Å; T183-L186 VanDerWaalsContact O-N 3.08Å; T183-G187 PolarHBondContact O-N 2.82Å; T183-G188 PolarHBondContact O-N 2.92Å; T183-G188 VanDerWaalsContact O-N 3.17Å; T183-Y192 HydrophobicContact CG2-CG 4.44Å |
| 184 | R | 91.7 | Very high | 91.3 | Very high | 159 Ų | 159 | 59.3 Ų | 59.3 | 60% | 0.6 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -64.3 | -31.5 | -172 | -59.4 | -179.4 | -172.1 | -169.5 | 3.2 | 112.9 | L186 G187 D191 | R184-L186 PolarHBondContact O-N 3.41Å; R184-G187 PolarHBondContact O-N 3.43Å; R184-D191 IonicContact CZ-OD1 2.79Å; R184-D191 IonicContact NE-OD1 3.61Å; R184-D191 PolarHBondContact NE-OD1 2.89Å; R184-D191 IonicContact NH2-OD1 3.64Å; R184-D191 PolarHBondContact NH2-OD1 3.12Å |
| 185 | E | 89.6 | Confident | 91.3 | Very high | 125 Ų | 125 | 61.1 Ų | 61.1 | 58% | 0.584 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -66.1 | -27.8 | 177.5 | -53.1 | 67.3 | -138.7 | 0 | 0 | 111.8 | R108 T183 | R108-E185 PolarHBondContact NH2-O 2.82Å; T183-E185 VanDerWaalsContact C-N 3.29Å; T183-E185 WeakPolarHBondContact CB-OE2 3.2Å; T183-E185 PolarHBondContact O-N 3.38Å; T183-E185 PolarHBondContact OG1-OE2 2.86Å |
| 186 | L | 92.4 | Very high | 91.2 | Very high | 3 Ų | 3 | 62.1 Ų | 62.1 | 2% | 0.016 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -96.3 | 14.5 | 174.9 | -60.8 | 174.8 | 0 | 0 | 0 | 112.2 | V66 V104 D106 L136 V170 L173 H174 L182 T183 R184 G188 | V66-L186 HydrophobicContact CG1-CD1 3.88Å; V66-L186 HydrophobicContact CG2-CD1 4.01Å; V104-L186 HydrophobicContact CG1-CD1 3.93Å; V104-L186 HydrophobicContact CG1-CD2 4.2Å; D106-L186 HydrophobicContact CB-CD2 4.36Å; L136-L186 HydrophobicContact CD1-CD2 3.71Å; V170-L186 WeakPolarHBondContact CG1-O 3.27Å; L173-L186 HydrophobicContact CD2-CB 4.16Å; L173-L186 HydrophobicContact CD2-CD2 4.39Å; H174-L186 PolarHBondContact NE2-O 2.87Å; L182-L186 HydrophobicContact CB-CB 4.35Å; L182-L186 HydrophobicContact CD2-CB 4.49Å; L182-L186 HydrophobicContact CD2-CD1 4.16Å; T183-L186 CarbonylContact O-C 3.55Å; T183-L186 PolarHBondContact O-N 3.44Å; T183-L186 VanDerWaalsContact O-N 3.08Å; R184-L186 PolarHBondContact O-N 3.41Å; L186-G188 VanDerWaalsContact C-N 3.27Å; L186-G188 PolarHBondContact O-N 2.91Å |
| 187 | G | 89.9 | Confident | 91.2 | Very high | 26 Ų | 26 | 58.9 Ų | 58.9 | 27% | 0.268 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.5 | 18.9 | 174 | 0 | 0 | 0 | 0 | 0 | 115.3 | H174 R179 T183 R184 | H174-G187 PolarHBondContact CE1-O 2.87Å; H174-G187 VanDerWaalsContact CE1-O 3.3Å; H174-G187 WeakPolarHBondContact NE2-CA 3.32Å; H174-G187 PolarHBondContact NE2-O 3.19Å; R179-G187 PolarHBondContact NE-O 3.21Å; R179-G187 PolarHBondContact NH2-O 2.92Å; T183-G187 PolarHBondContact O-N 2.82Å; R184-G187 PolarHBondContact O-N 3.43Å |
| 188 | G | 92.4 | Very high | 91.2 | Very high | 11 Ų | 11 | 58.9 Ų | 58.9 | 11% | 0.113 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -96 | -165.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | H174 R179 L182 T183 L186 | H174-G188 PolarHBondContact NE2-N 2.97Å; R179-G188 CarbonylContact O-C 3.57Å; R179-G188 WeakPolarHBondContact O-CA 3.41Å; L182-G188 CarbonylContact O-C 3.4Å; L182-G188 VanDerWaalsContact O-CA 3.32Å; L182-G188 WeakPolarHBondContact O-CA 3.36Å; T183-G188 PolarHBondContact O-N 2.92Å; T183-G188 VanDerWaalsContact O-N 3.17Å; L186-G188 VanDerWaalsContact C-N 3.27Å; L186-G188 PolarHBondContact O-N 2.91Å |
| 189 | T | 89.9 | Confident | 91.2 | Very high | 97 Ų | 97 | 58.8 Ų | 58.8 | 60% | 0.595 | 30% | 0.298 | S | S | * | . | trans | -123.4 | 2.1 | -175.3 | 63.4 | 0 | 0 | 0 | 0 | 114 | R179 L182 D191 | R179-T189 PolarHBondContact O-N 3.47Å; L182-T189 PolarHBondContact O-N 2.83Å; L182-T189 VanDerWaalsContact O-N 3.16Å; T189-D191 PolarHBondContact O-N 3.22Å | ||
| 190 | Q | 88.1 | Confident | 91.2 | Very high | 16 Ų | 16 | 54.9 Ų | 54.9 | 8% | 0.075 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -65 | 130.8 | 175.4 | -166.8 | 168.8 | 39.3 | 0 | 0 | 109.8 | S54 G56 L182 | S54-Q190 PolarHBondContact O-NE2 3.48Å; S54-Q190 PolarHBondContact OG-OE1 2.95Å; G56-Q190 VanDerWaalsContact N-NE2 3.14Å; L182-Q190 VanDerWaalsContact O-CB 3.23Å; L182-Q190 WeakPolarHBondContact O-CB 3.47Å; L182-Q190 PolarHBondContact O-N 2.95Å |
| 191 | D | 84.9 | Confident | 91.3 | Very high | 106 Ų | 106 | 52.4 Ų | 52.4 | 57% | 0.567 | 27% | 0.268 | S | S | * | . | trans | -86.7 | 131.7 | 170.8 | -150.7 | 44 | 0 | 0 | 0 | 109.5 | R184 T189 | R184-D191 IonicContact CZ-OD1 2.79Å; R184-D191 IonicContact NE-OD1 3.61Å; R184-D191 PolarHBondContact NE-OD1 2.89Å; R184-D191 IonicContact NH2-OD1 3.64Å; R184-D191 PolarHBondContact NH2-OD1 3.12Å; T189-D191 PolarHBondContact O-N 3.22Å | ||
| 192 | Y | 89.6 | Confident | 91.3 | Very high | 46 Ų | 46 | 52.1 Ų | 52.1 | 18% | 0.18 | 27% | 0.27 | C | S | . | . | trans | -145.4 | 132 | -179.1 | -179.7 | -103.3 | 0 | 0 | 0 | 110.3 | F52 L53 T183 H194 W197 | F52-Y192 HydrophobicContact CB-CE1 4.35Å; F52-Y192 AromaticContact CD2-CD1 3.87Å; F52-Y192 HydrophobicContact CD2-CD1 3.87Å; F52-Y192 AromaticContact CD2-CE1 3.36Å; F52-Y192 HydrophobicContact CD2-CE1 3.36Å; F52-Y192 HydrophobicContact CD2-CE2 4.39Å; F52-Y192 AromaticContact CD2-CZ 3.66Å; F52-Y192 AromaticContact CE2-CD1 3.71Å; F52-Y192 HydrophobicContact CE2-CD1 3.71Å; F52-Y192 AromaticContact CE2-CE1 3.7Å; F52-Y192 HydrophobicContact CE2-CE1 3.7Å; F52-Y192 HydrophobicContact CE2-CG 4.36Å; F52-Y192 AromaticContact CG-CE1 3.93Å; F52-Y192 HydrophobicContact CG-CE1 3.93Å; F52-Y192 HydrophobicContact CZ-CD1 4.45Å; L53-Y192 VanDerWaalsContact O-CE2 3.22Å; L53-Y192 WeakPolarHBondContact O-CE2 3.45Å; T183-Y192 HydrophobicContact CG2-CG 4.44Å; Y192-H194 HydrophobicContact CE1-CB 3.86Å; Y192-H194 AromaticContact CE1-ND1 3.89Å; Y192-H194 AromaticContact CZ-ND1 3.85Å; Y192-H194 PolarHBondContact OH-ND1 2.91Å; Y192-W197 HydrophobicContact CE2-CB 3.93Å; Y192-W197 AromaticContact CE2-CD1 3.96Å; Y192-W197 AromaticContact CE2-CG 3.91Å; Y192-W197 HydrophobicContact CE2-CG 3.91Å | ||
| 193 | C | 90.8 | Very high | 91.3 | Very high | 67 Ų | 67 | 53.9 Ų | 53.9 | 45% | 0.453 | 29% | 0.285 | S | S | . | . | trans | -130.4 | 110.4 | 177.2 | -178.1 | 0 | 0 | 0 | 0 | 109.5 | E195 K196 W197 | C193-E195 PolarHBondContact O-N 3.01Å; C193-K196 HydrophobicContact CB-CB 3.98Å; C193-K196 HydrophobicContact CB-CD 4.17Å; C193-K196 HydrophobicContact CB-CG 4.12Å; C193-K196 PolarHBondContact O-N 3.2Å; C193-W197 PolarHBondContact O-N 3.44Å | ||
| 194 | H | 93 | Very high | 91.3 | Very high | 15 Ų | 15 | 53.9 Ų | 53.9 | 7% | 0.069 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.8 | -44.7 | -169.1 | -167.7 | 55.7 | 0 | 0 | 0 | 113.4 | L46 Y192 K196 W197 I198 | L46-H194 PolarHBondContact O-NE2 2.98Å; Y192-H194 HydrophobicContact CE1-CB 3.86Å; Y192-H194 AromaticContact CE1-ND1 3.89Å; Y192-H194 AromaticContact CZ-ND1 3.85Å; Y192-H194 PolarHBondContact OH-ND1 2.91Å; H194-K196 PolarHBondContact O-N 3Å; H194-W197 PolarHBondContact O-N 3.38Å; H194-I198 WeakPolarHBondContact O-CG1 3.27Å; H194-I198 PolarHBondContact O-N 3.48Å |
| 195 | E | 92.7 | Very high | 91.4 | Very high | 89 Ų | 89 | 47 Ų | 47 | 42% | 0.416 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66 | -36.2 | 175.8 | -71 | -66.9 | 143.9 | 0 | 0 | 112.5 | R47 C193 S199 | R47-E195 WeakPolarHBondContact CD-OE1 3.14Å; R47-E195 VanDerWaalsContact CG-OE1 3.32Å; R47-E195 WeakPolarHBondContact CG-OE1 3.27Å; R47-E195 IonicContact CZ-OE2 3.34Å; R47-E195 IonicContact NE-OE1 3.13Å; R47-E195 PolarHBondContact NE-OE1 3.26Å; R47-E195 IonicContact NE-OE2 2.66Å; R47-E195 PolarHBondContact NE-OE2 3.46Å; R47-E195 IonicContact NH2-OE2 3.17Å; R47-E195 PolarHBondContact NH2-OE2 2.96Å; C193-E195 PolarHBondContact O-N 3.01Å; E195-S199 VanDerWaalsContact O-CB 3.24Å; E195-S199 WeakPolarHBondContact O-CB 3.43Å; E195-S199 PolarHBondContact O-N 3.44Å |
| 196 | K | 89.9 | Confident | 91.5 | Very high | 109 Ų | 109 | 42.7 Ų | 42.7 | 47% | 0.474 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.6 | -47.2 | 171.6 | -80.4 | -168 | 173.2 | -163.2 | 0 | 110.5 | C193 H194 S199 H200 E271 | C193-K196 HydrophobicContact CB-CB 3.98Å; C193-K196 HydrophobicContact CB-CD 4.17Å; C193-K196 HydrophobicContact CB-CG 4.12Å; C193-K196 PolarHBondContact O-N 3.2Å; H194-K196 PolarHBondContact O-N 3Å; K196-S199 WeakPolarHBondContact O-CB 3.47Å; K196-S199 PolarHBondContact O-N 2.89Å; K196-H200 PolarHBondContact O-N 3.28Å; K196-E271 IonicContact NZ-OE2 2.72Å |
| 197 | W | 91.9 | Very high | 91.6 | Very high | 29 Ų | 29 | 42.9 Ų | 42.9 | 11% | 0.11 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.1 | -45.9 | 179.2 | -178.6 | 91.2 | 0 | 0 | 0 | 112.2 | L46 L53 Y87 L88 V91 Y192 C193 H194 S199 H200 R201 | L46-W197 HydrophobicContact CD2-CZ3 4.46Å; L53-W197 HydrophobicContact CB-CZ2 4.29Å; Y87-W197 HydrophobicContact CD1-CH2 4.25Å; Y87-W197 AromaticContact CE1-CH2 3.67Å; Y87-W197 HydrophobicContact CE1-CH2 3.67Å; Y87-W197 HydrophobicContact CE1-CZ3 4.26Å; L88-W197 HydrophobicContact CD2-CH2 3.5Å; L88-W197 VanDerWaalsContact CD2-CH2 3.5Å; L88-W197 HydrophobicContact CD2-CZ2 3.99Å; L88-W197 HydrophobicContact CD2-CZ3 4.31Å; V91-W197 HydrophobicContact CG1-CZ2 4.48Å; V91-W197 HydrophobicContact CG2-CZ2 4.39Å; Y192-W197 HydrophobicContact CE2-CB 3.93Å; Y192-W197 AromaticContact CE2-CD1 3.96Å; Y192-W197 AromaticContact CE2-CG 3.91Å; Y192-W197 HydrophobicContact CE2-CG 3.91Å; C193-W197 PolarHBondContact O-N 3.44Å; H194-W197 PolarHBondContact O-N 3.38Å; W197-S199 VanDerWaalsContact C-N 3.34Å; W197-S199 PolarHBondContact O-N 2.8Å; W197-H200 PolarHBondContact O-N 2.95Å; W197-R201 HydrophobicContact CD2-CG 4.19Å; W197-R201 HydrophobicContact CH2-CG 4.35Å; W197-R201 HydrophobicContact CZ2-CG 4.01Å; W197-R201 WeakPolarHBondContact O-CB 3.36Å; W197-R201 WeakPolarHBondContact O-CG 3.37Å; W197-R201 PolarHBondContact O-N 2.72Å |
| 198 | I | 94.2 | Very high | 91.8 | Very high | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.015 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.6 | -45 | 173.5 | -68 | 176 | 0 | 0 | 0 | 110.6 | T43 L46 R47 H194 T202 | T43-I198 HydrophobicContact CG2-CG2 4.15Å; L46-I198 HydrophobicContact CB-CD1 3.83Å; L46-I198 HydrophobicContact CB-CG1 4.3Å; R47-I198 HydrophobicContact CG-CD1 3.81Å; H194-I198 WeakPolarHBondContact O-CG1 3.27Å; H194-I198 PolarHBondContact O-N 3.48Å; I198-T202 VanDerWaalsContact O-CB 3.26Å; I198-T202 WeakPolarHBondContact O-CB 3.4Å; I198-T202 PolarHBondContact O-N 3.06Å; I198-T202 PolarHBondContact O-OG1 3.47Å |
| 199 | S | 92.6 | Very high | 91.7 | Very high | 76 Ų | 76 | 43.2 Ų | 43.2 | 53% | 0.531 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.8 | -47.6 | -179.9 | -171 | 0 | 0 | 0 | 0 | 112.1 | E195 K196 W197 T202 A203 | E195-S199 VanDerWaalsContact O-CB 3.24Å; E195-S199 WeakPolarHBondContact O-CB 3.43Å; E195-S199 PolarHBondContact O-N 3.44Å; K196-S199 WeakPolarHBondContact O-CB 3.47Å; K196-S199 PolarHBondContact O-N 2.89Å; W197-S199 VanDerWaalsContact C-N 3.34Å; W197-S199 PolarHBondContact O-N 2.8Å; S199-T202 PolarHBondContact O-N 2.85Å; S199-A203 WeakPolarHBondContact O-CB 3.35Å; S199-A203 PolarHBondContact O-N 2.95Å |
| 200 | H | 91.1 | Very high | 91.9 | Very high | 46 Ų | 46 | 41.1 Ų | 41.1 | 21% | 0.213 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63 | -47.6 | 176.8 | -76.8 | 158.5 | 0 | 0 | 0 | 111.5 | K196 W197 T202 A203 I204 S268 | K196-H200 PolarHBondContact O-N 3.28Å; W197-H200 PolarHBondContact O-N 2.95Å; H200-T202 PolarHBondContact O-N 2.97Å; H200-A203 PolarHBondContact O-N 2.84Å; H200-I204 WeakPolarHBondContact O-CB 3.38Å; H200-I204 WeakPolarHBondContact O-CD1 3.4Å; H200-I204 WeakPolarHBondContact O-CG1 3.39Å; H200-I204 PolarHBondContact O-N 3.34Å; H200-S268 PolarHBondContact NE2-O 2.96Å; H200-S268 VanDerWaalsContact NE2-O 3.08Å; H200-S268 PolarHBondContact NE2-OG 3.02Å |
| 201 | R | 92.7 | Very high | 92.1 | Very high | 22 Ų | 22 | 40.4 Ų | 40.4 | 8% | 0.083 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.5 | -44.3 | 176.9 | -76.3 | -51.3 | -50.3 | 174.6 | -2.1 | 112.8 | A39 Y87 W197 A203 I204 E205 N288 | A39-R201 HydrophobicContact CB-CB 4.21Å; Y87-R201 WeakPolarHBondContact OH-CB 3.29Å; Y87-R201 PolarHBondContact OH-NE 2.78Å; Y87-R201 VanDerWaalsContact OH-NE 3.07Å; W197-R201 HydrophobicContact CD2-CG 4.19Å; W197-R201 HydrophobicContact CH2-CG 4.35Å; W197-R201 HydrophobicContact CZ2-CG 4.01Å; W197-R201 WeakPolarHBondContact O-CB 3.36Å; W197-R201 WeakPolarHBondContact O-CG 3.37Å; W197-R201 PolarHBondContact O-N 2.72Å; R201-A203 VanDerWaalsContact C-N 3.34Å; R201-A203 PolarHBondContact O-N 3.14Å; R201-I204 PolarHBondContact O-N 2.93Å; R201-E205 IonicContact CZ-OE1 2.69Å; R201-E205 IonicContact NE-OE1 3.49Å; R201-E205 PolarHBondContact NE-OE1 2.71Å; R201-E205 IonicContact NH2-OE1 2.87Å; R201-E205 PolarHBondContact NH2-OE1 2.98Å; R201-E205 WeakPolarHBondContact O-CB 3.41Å; R201-E205 WeakPolarHBondContact O-CG 3.33Å; R201-E205 PolarHBondContact O-N 2.9Å; R201-N288 PolarHBondContact NH1-OD1 2.78Å |
| 202 | T | 93.4 | Very high | 92.3 | Very high | 45 Ų | 45 | 36.8 Ų | 36.8 | 28% | 0.276 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.1 | -41.2 | 176.5 | -57.3 | 0 | 0 | 0 | 0 | 111.6 | A40 I198 S199 H200 G206 | A40-T202 HydrophobicContact CB-CG2 4.17Å; I198-T202 VanDerWaalsContact O-CB 3.26Å; I198-T202 WeakPolarHBondContact O-CB 3.4Å; I198-T202 PolarHBondContact O-N 3.06Å; I198-T202 PolarHBondContact O-OG1 3.47Å; S199-T202 PolarHBondContact O-N 2.85Å; H200-T202 PolarHBondContact O-N 2.97Å; T202-G206 PolarHBondContact O-N 3.46Å |
| 203 | A | 93.5 | Very high | 92.4 | Very high | 40 Ų | 40 | 42.7 Ų | 42.7 | 33% | 0.331 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -70.9 | -39.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S199 H200 R201 G206 F207 L265 | S199-A203 WeakPolarHBondContact O-CB 3.35Å; S199-A203 PolarHBondContact O-N 2.95Å; H200-A203 PolarHBondContact O-N 2.84Å; R201-A203 VanDerWaalsContact C-N 3.34Å; R201-A203 PolarHBondContact O-N 3.14Å; A203-G206 PolarHBondContact O-N 2.72Å; A203-F207 WeakPolarHBondContact O-CB 3.33Å; A203-F207 PolarHBondContact O-N 2.92Å; A203-L265 HydrophobicContact CB-CD1 3.67Å; A203-L265 HydrophobicContact CB-CD2 4.38Å |
| 204 | I | 92.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.1 | -46.2 | 177 | -67 | 163.7 | 0 | 0 | 0 | 110.9 | H200 R201 F207 A208 L265 I269 N288 V292 | H200-I204 WeakPolarHBondContact O-CB 3.38Å; H200-I204 WeakPolarHBondContact O-CD1 3.4Å; H200-I204 WeakPolarHBondContact O-CG1 3.39Å; H200-I204 PolarHBondContact O-N 3.34Å; R201-I204 PolarHBondContact O-N 2.93Å; I204-F207 PolarHBondContact O-N 3.03Å; I204-A208 WeakPolarHBondContact O-CB 3.47Å; I204-A208 PolarHBondContact O-N 3.38Å; I204-L265 HydrophobicContact CG1-CD1 4.24Å; I204-L265 HydrophobicContact CG1-CD2 3.92Å; I204-L265 HydrophobicContact CG1-CG 4.47Å; I204-I269 HydrophobicContact CD1-CD1 4.03Å; I204-I269 HydrophobicContact CG1-CD1 4.24Å; I204-N288 HydrophobicContact CD1-CB 3.7Å; I204-N288 VanDerWaalsContact CD1-OD1 3.27Å; I204-N288 WeakPolarHBondContact CD1-OD1 3.29Å; I204-V292 HydrophobicContact CG1-CG2 3.98Å |
| 205 | E | 93.1 | Very high | 92.2 | Very high | 14 Ų | 14 | 39.3 Ų | 39.3 | 7% | 0.065 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.2 | -36.3 | 176.1 | -73.4 | 166.5 | -150.7 | 0 | 0 | 112 | A39 Y87 R201 L209 | A39-E205 WeakPolarHBondContact CB-OE2 3.39Å; A39-E205 PolarHBondContact N-OE2 3.36Å; Y87-E205 VanDerWaalsContact CE2-OE1 3.29Å; Y87-E205 WeakPolarHBondContact CE2-OE1 3.46Å; Y87-E205 PolarHBondContact OH-OE1 2.71Å; R201-E205 IonicContact CZ-OE1 2.69Å; R201-E205 IonicContact NE-OE1 3.49Å; R201-E205 PolarHBondContact NE-OE1 2.71Å; R201-E205 IonicContact NH2-OE1 2.87Å; R201-E205 PolarHBondContact NH2-OE1 2.98Å; R201-E205 WeakPolarHBondContact O-CB 3.41Å; R201-E205 WeakPolarHBondContact O-CG 3.33Å; R201-E205 PolarHBondContact O-N 2.9Å; E205-L209 WeakPolarHBondContact O-CB 3.46Å; E205-L209 WeakPolarHBondContact O-CG 3.2Å; E205-L209 PolarHBondContact O-N 3.41Å |
| 206 | G | 93.1 | Very high | 92 | Very high | 36 Ų | 36 | 39 Ų | 39 | 37% | 0.371 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.1 | -45.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113 | T202 A203 L209 M210 | T202-G206 PolarHBondContact O-N 3.46Å; A203-G206 PolarHBondContact O-N 2.72Å; G206-L209 PolarHBondContact O-N 3.4Å; G206-M210 PolarHBondContact O-N 3.15Å |
| 207 | F | 94.8 | Very high | 92 | Very high | 7 Ų | 7 | 36.8 Ų | 36.8 | 3% | 0.031 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66 | -45.5 | 177.3 | 176.1 | -129.1 | 0 | 0 | 0 | 111.6 | A203 I204 L209 M210 V211 A258 L265 V292 L295 L296 | A203-F207 WeakPolarHBondContact O-CB 3.33Å; A203-F207 PolarHBondContact O-N 2.92Å; I204-F207 PolarHBondContact O-N 3.03Å; F207-L209 VanDerWaalsContact C-N 3.33Å; F207-L209 PolarHBondContact O-N 3.43Å; F207-M210 WeakPolarHBondContact O-CA 3.47Å; F207-M210 WeakPolarHBondContact O-CB 3.31Å; F207-M210 PolarHBondContact O-N 2.88Å; F207-V211 HydrophobicContact CD2-CG2 3.91Å; F207-V211 HydrophobicContact CE1-CG2 4.37Å; F207-V211 HydrophobicContact CE2-CG2 3.42Å; F207-V211 VanDerWaalsContact CE2-CG2 3.42Å; F207-V211 HydrophobicContact CZ-CG2 3.68Å; F207-V211 WeakPolarHBondContact O-CG2 3.5Å; F207-V211 PolarHBondContact O-N 2.89Å; F207-A258 VanDerWaalsContact CE2-O 3.27Å; F207-A258 WeakPolarHBondContact CE2-O 3.14Å; F207-L265 HydrophobicContact CB-CD2 3.88Å; F207-L265 HydrophobicContact CD1-CD2 4.1Å; F207-L265 HydrophobicContact CG-CD2 4.28Å; F207-V292 HydrophobicContact CD1-CG1 4.3Å; F207-V292 HydrophobicContact CE1-CG1 4.07Å; F207-L295 HydrophobicContact CD1-CB 4.32Å; F207-L295 HydrophobicContact CD1-CD1 4.06Å; F207-L295 HydrophobicContact CE1-CB 3.57Å; F207-L295 HydrophobicContact CE1-CD1 4.16Å; F207-L295 HydrophobicContact CZ-CB 4.09Å; F207-L296 HydrophobicContact CE1-CG 4.29Å; F207-L296 HydrophobicContact CZ-CD2 4Å; F207-L296 HydrophobicContact CZ-CG 4Å |
| 208 | A | 92.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.3 | -44 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I26 I204 M210 V211 K212 L295 | I26-A208 HydrophobicContact CG2-CB 4.07Å; I204-A208 WeakPolarHBondContact O-CB 3.47Å; I204-A208 PolarHBondContact O-N 3.38Å; A208-M210 VanDerWaalsContact C-N 3.31Å; A208-M210 PolarHBondContact O-N 3.2Å; A208-V211 PolarHBondContact O-N 3.4Å; A208-K212 WeakPolarHBondContact O-CB 3.49Å; A208-K212 PolarHBondContact O-N 3.08Å; A208-L295 HydrophobicContact CB-CD1 3.92Å |
| 209 | L | 91.6 | Very high | 91.4 | Very high | 43 Ų | 43 | 38.3 Ų | 38.3 | 23% | 0.225 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.7 | -33.2 | 173.5 | -79.6 | 170.2 | 0 | 0 | 0 | 113.3 | M30 R38 E205 G206 F207 R213 | M30-L209 HydrophobicContact CE-CD1 4Å; M30-L209 HydrophobicContact CE-CD2 3.83Å; M30-L209 HydrophobicContact CE-CG 3.8Å; M30-L209 HydrophobicContact SD-CD2 3.67Å; M30-L209 HydrophobicContact SD-CG 3.81Å; R38-L209 VanDerWaalsContact NH1-CD1 3.32Å; E205-L209 WeakPolarHBondContact O-CB 3.46Å; E205-L209 WeakPolarHBondContact O-CG 3.2Å; E205-L209 PolarHBondContact O-N 3.41Å; G206-L209 PolarHBondContact O-N 3.4Å; F207-L209 VanDerWaalsContact C-N 3.33Å; F207-L209 PolarHBondContact O-N 3.43Å; L209-R213 WeakPolarHBondContact O-CB 3.45Å; L209-R213 PolarHBondContact O-N 3.45Å |
| 210 | M | 92.8 | Very high | 91.1 | Very high | 53 Ų | 53 | 38.5 Ų | 38.5 | 26% | 0.261 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -67.5 | -53.1 | 174.7 | -173.3 | 168.9 | -65.6 | 0 | 0 | 111.1 | G206 F207 A208 K212 R213 T214 A258 | G206-M210 PolarHBondContact O-N 3.15Å; F207-M210 WeakPolarHBondContact O-CA 3.47Å; F207-M210 WeakPolarHBondContact O-CB 3.31Å; F207-M210 PolarHBondContact O-N 2.88Å; A208-M210 VanDerWaalsContact C-N 3.31Å; A208-M210 PolarHBondContact O-N 3.2Å; M210-K212 VanDerWaalsContact C-N 3.26Å; M210-K212 PolarHBondContact O-N 3.2Å; M210-R213 PolarHBondContact O-N 3.44Å; M210-T214 PolarHBondContact O-N 3.31Å; M210-T214 PolarHBondContact O-OG1 2.81Å; M210-A258 HydrophobicContact CG-CB 3.9Å; M210-A258 HydrophobicContact SD-CB 3.78Å |
| 211 | V | 92.9 | Very high | 90.9 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -55.9 | -42.6 | 177.5 | 179.3 | 0 | 0 | 0 | 0 | 110.8 | V22 I26 F207 A208 T214 A215 L295 L299 | V22-V211 HydrophobicContact CG1-CG1 3.66Å; I26-V211 HydrophobicContact CD1-CB 3.91Å; I26-V211 HydrophobicContact CD1-CG1 3.81Å; F207-V211 HydrophobicContact CD2-CG2 3.91Å; F207-V211 HydrophobicContact CE1-CG2 4.37Å; F207-V211 HydrophobicContact CE2-CG2 3.42Å; F207-V211 VanDerWaalsContact CE2-CG2 3.42Å; F207-V211 HydrophobicContact CZ-CG2 3.68Å; F207-V211 WeakPolarHBondContact O-CG2 3.5Å; F207-V211 PolarHBondContact O-N 2.89Å; A208-V211 PolarHBondContact O-N 3.4Å; V211-T214 PolarHBondContact O-N 3Å; V211-A215 VanDerWaalsContact O-CB 3.29Å; V211-A215 WeakPolarHBondContact O-CB 3.48Å; V211-A215 PolarHBondContact O-N 2.95Å; V211-L295 HydrophobicContact CG1-CD2 4.47Å; V211-L299 HydrophobicContact CG2-CD2 4.34Å |
| 212 | K | 90.3 | Very high | 90.5 | Very high | 30 Ų | 30 | 35.7 Ų | 35.7 | 13% | 0.13 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62 | -43.5 | 175.2 | 179.5 | 168.9 | 175.9 | 176.8 | 0 | 112.3 | T23 I26 D27 L32 A208 M210 A215 Q216 | T23-K212 HydrophobicContact CG2-CG 4.48Å; I26-K212 HydrophobicContact CB-CB 4.33Å; I26-K212 HydrophobicContact CB-CD 4.42Å; I26-K212 HydrophobicContact CD1-CB 3.73Å; I26-K212 HydrophobicContact CG2-CB 3.93Å; I26-K212 HydrophobicContact CG2-CD 3.9Å; I26-K212 HydrophobicContact CG2-CG 4.49Å; D27-K212 WeakPolarHBondContact OD1-CE 3.26Å; D27-K212 IonicContact OD1-NZ 2.71Å; D27-K212 PolarHBondContact OD1-NZ 2.91Å; L32-K212 VanDerWaalsContact CD1-NZ 3.32Å; A208-K212 WeakPolarHBondContact O-CB 3.49Å; A208-K212 PolarHBondContact O-N 3.08Å; M210-K212 VanDerWaalsContact C-N 3.26Å; M210-K212 PolarHBondContact O-N 3.2Å; K212-A215 PolarHBondContact O-N 3.16Å; K212-Q216 HydrophobicContact CG-CG 4.48Å; K212-Q216 WeakPolarHBondContact O-CB 3.09Å; K212-Q216 VanDerWaalsContact O-CG 3.25Å; K212-Q216 WeakPolarHBondContact O-CG 3.44Å; K212-Q216 PolarHBondContact O-N 3.32Å |
| 213 | R | 90.6 | Very high | 89.8 | Confident | 169 Ų | 169 | 36.1 Ų | 36.1 | 64% | 0.638 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -66.6 | -42.8 | 178.5 | -169 | -179.2 | -64 | 164.3 | 1.4 | 111.6 | L209 M210 Q216 T217 | L209-R213 WeakPolarHBondContact O-CB 3.45Å; L209-R213 PolarHBondContact O-N 3.45Å; M210-R213 PolarHBondContact O-N 3.44Å; R213-Q216 PolarHBondContact O-N 3.24Å; R213-T217 WeakPolarHBondContact O-CB 3.43Å; R213-T217 PolarHBondContact O-N 3.41Å; R213-T217 PolarHBondContact O-OG1 3.42Å |
| 214 | T | 90.5 | Very high | 89.3 | Confident | 10 Ų | 10 | 37.8 Ų | 37.8 | 6% | 0.061 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.6 | -46.5 | 174.5 | -56.7 | 0 | 0 | 0 | 0 | 110.4 | M210 V211 Q216 T217 L218 I255 L299 | M210-T214 PolarHBondContact O-N 3.31Å; M210-T214 PolarHBondContact O-OG1 2.81Å; V211-T214 PolarHBondContact O-N 3Å; T214-Q216 PolarHBondContact O-N 2.92Å; T214-T217 PolarHBondContact O-N 3.4Å; T214-L218 HydrophobicContact CG2-CD1 4.17Å; T214-L218 WeakPolarHBondContact O-CB 3.27Å; T214-L218 WeakPolarHBondContact O-CG 3.22Å; T214-L218 PolarHBondContact O-N 3.21Å; T214-I255 HydrophobicContact CG2-CG1 3.61Å; T214-L299 HydrophobicContact CG2-CD1 4.31Å |
| 215 | A | 89.1 | Confident | 88.8 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 2% | 0.017 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.8 | -41.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L19 V22 V211 K212 Q219 | L19-A215 HydrophobicContact CD2-CB 3.83Å; V22-A215 HydrophobicContact CG1-CB 4.22Å; V211-A215 VanDerWaalsContact O-CB 3.29Å; V211-A215 WeakPolarHBondContact O-CB 3.48Å; V211-A215 PolarHBondContact O-N 2.95Å; K212-A215 PolarHBondContact O-N 3.16Å; A215-Q219 VanDerWaalsContact O-CB 3.3Å; A215-Q219 WeakPolarHBondContact O-CB 3.39Å; A215-Q219 PolarHBondContact O-N 2.86Å |
| 216 | Q | 88.7 | Confident | 87.8 | Confident | 83 Ų | 83 | 38.8 Ų | 38.8 | 39% | 0.388 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -67 | -35.3 | 175.7 | -74.5 | 176.5 | -19.9 | 0 | 0 | 112.7 | K212 R213 T214 Q219 S220 | K212-Q216 HydrophobicContact CG-CG 4.48Å; K212-Q216 WeakPolarHBondContact O-CB 3.09Å; K212-Q216 VanDerWaalsContact O-CG 3.25Å; K212-Q216 WeakPolarHBondContact O-CG 3.44Å; K212-Q216 PolarHBondContact O-N 3.32Å; R213-Q216 PolarHBondContact O-N 3.24Å; T214-Q216 PolarHBondContact O-N 2.92Å; Q216-Q219 PolarHBondContact O-N 2.94Å; Q216-S220 WeakPolarHBondContact O-CB 3.32Å; Q216-S220 PolarHBondContact O-N 3.2Å; Q216-S220 PolarHBondContact O-OG 2.93Å |
| 217 | T | 89.1 | Confident | 86.9 | Confident | 62 Ų | 62 | 44 Ų | 44 | 38% | 0.38 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -72.4 | -43 | 177.7 | -48.7 | 0 | 0 | 0 | 0 | 110.4 | R213 T214 Q219 S220 F221 M251 | R213-T217 WeakPolarHBondContact O-CB 3.43Å; R213-T217 PolarHBondContact O-N 3.41Å; R213-T217 PolarHBondContact O-OG1 3.42Å; T214-T217 PolarHBondContact O-N 3.4Å; T217-Q219 PolarHBondContact O-N 2.99Å; T217-S220 PolarHBondContact O-N 2.76Å; T217-F221 WeakPolarHBondContact O-CB 3.34Å; T217-F221 PolarHBondContact O-N 3.4Å; T217-M251 HydrophobicContact CG2-CE 3.88Å; T217-M251 HydrophobicContact CG2-SD 3.95Å |
| 218 | L | 88.1 | Confident | 86.1 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.1 | -43.9 | 168.8 | -84.8 | 166.4 | 0 | 0 | 0 | 112.8 | L19 T214 S220 F221 G222 M251 I255 T302 F306 | L19-L218 HydrophobicContact CD1-CB 4.03Å; L19-L218 HydrophobicContact CD2-CB 3.81Å; L19-L218 HydrophobicContact CD2-CD1 4.04Å; T214-L218 HydrophobicContact CG2-CD1 4.17Å; T214-L218 WeakPolarHBondContact O-CB 3.27Å; T214-L218 WeakPolarHBondContact O-CG 3.22Å; T214-L218 PolarHBondContact O-N 3.21Å; L218-S220 VanDerWaalsContact C-N 3.35Å; L218-F221 PolarHBondContact O-N 3.2Å; L218-G222 PolarHBondContact O-N 3.4Å; L218-M251 HydrophobicContact CB-SD 4.47Å; L218-M251 HydrophobicContact CD2-CG 3.45Å; L218-M251 VanDerWaalsContact CD2-CG 3.45Å; L218-M251 HydrophobicContact CD2-SD 4.01Å; L218-M251 HydrophobicContact CG-CG 3.81Å; L218-M251 HydrophobicContact CG-SD 3.77Å; L218-I255 HydrophobicContact CD1-CD1 4.04Å; L218-I255 HydrophobicContact CD1-CG1 4.32Å; L218-I255 HydrophobicContact CD2-CD1 4.33Å; L218-T302 HydrophobicContact CD1-CG2 3.5Å; L218-T302 VanDerWaalsContact CD1-CG2 3.5Å; L218-F306 HydrophobicContact CD2-CB 4.02Å; L218-F306 HydrophobicContact CD2-CD1 3.85Å; L218-F306 HydrophobicContact CD2-CD2 3.45Å; L218-F306 VanDerWaalsContact CD2-CD2 3.45Å; L218-F306 HydrophobicContact CD2-CE1 4.13Å; L218-F306 HydrophobicContact CD2-CE2 3.78Å; L218-F306 HydrophobicContact CD2-CG 3.48Å; L218-F306 VanDerWaalsContact CD2-CG 3.48Å; L218-F306 HydrophobicContact CD2-CZ 4.1Å |
| 219 | Q | 86.4 | Confident | 85.3 | Confident | 63 Ų | 63 | 47.8 Ų | 47.8 | 29% | 0.294 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.3 | -40.4 | 178.8 | -177.8 | 174.1 | 81.4 | 0 | 0 | 111.5 | L16 L19 A215 Q216 T217 T223 | L16-Q219 HydrophobicContact CD2-CG 3.89Å; L19-Q219 HydrophobicContact CB-CB 4.48Å; L19-Q219 HydrophobicContact CD1-CB 4.01Å; A215-Q219 VanDerWaalsContact O-CB 3.3Å; A215-Q219 WeakPolarHBondContact O-CB 3.39Å; A215-Q219 PolarHBondContact O-N 2.86Å; Q216-Q219 PolarHBondContact O-N 2.94Å; T217-Q219 PolarHBondContact O-N 2.99Å; Q219-T223 WeakPolarHBondContact O-CB 3.45Å; Q219-T223 PolarHBondContact O-N 3.15Å; Q219-T223 PolarHBondContact O-OG1 2.9Å |
| 220 | S | 86.1 | Confident | 84.7 | Confident | 81 Ų | 81 | 48 Ų | 48 | 57% | 0.566 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -64.5 | -47.1 | 175.8 | -57.3 | 0 | 0 | 0 | 0 | 111.1 | Q216 T217 L218 T223 E224 | Q216-S220 WeakPolarHBondContact O-CB 3.32Å; Q216-S220 PolarHBondContact O-N 3.2Å; Q216-S220 PolarHBondContact O-OG 2.93Å; T217-S220 PolarHBondContact O-N 2.76Å; L218-S220 VanDerWaalsContact C-N 3.35Å; S220-T223 PolarHBondContact O-N 2.89Å; S220-E224 PolarHBondContact O-N 2.84Å |
| 221 | F | 87.4 | Confident | 84 | Confident | 8 Ų | 8 | 46.5 Ų | 46.5 | 4% | 0.035 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.4 | -44.2 | 178.9 | -176.3 | -132.8 | 0 | 0 | 0 | 112.4 | T217 L218 T223 E224 L225 H244 K247 R248 M251 F306 W310 | T217-F221 WeakPolarHBondContact O-CB 3.34Å; T217-F221 PolarHBondContact O-N 3.4Å; L218-F221 PolarHBondContact O-N 3.2Å; F221-T223 PolarHBondContact O-N 3.14Å; F221-E224 WeakPolarHBondContact O-CA 3.36Å; F221-E224 WeakPolarHBondContact O-CB 3.47Å; F221-E224 PolarHBondContact O-N 3.05Å; F221-L225 HydrophobicContact CD1-CD1 4.02Å; F221-L225 HydrophobicContact CD1-CG 4.49Å; F221-L225 HydrophobicContact CD2-CD1 4.45Å; F221-L225 HydrophobicContact CD2-CD2 4.28Å; F221-L225 HydrophobicContact CD2-CG 4.06Å; F221-L225 HydrophobicContact CE1-CD1 3.64Å; F221-L225 HydrophobicContact CE1-CD2 4.47Å; F221-L225 HydrophobicContact CE1-CG 4.24Å; F221-L225 HydrophobicContact CE2-CD1 4.09Å; F221-L225 HydrophobicContact CE2-CD2 3.54Å; F221-L225 HydrophobicContact CE2-CG 3.76Å; F221-L225 HydrophobicContact CG-CD1 4.41Å; F221-L225 HydrophobicContact CG-CG 4.41Å; F221-L225 HydrophobicContact CZ-CD1 3.68Å; F221-L225 HydrophobicContact CZ-CD2 3.66Å; F221-L225 HydrophobicContact CZ-CG 3.87Å; F221-L225 VanDerWaalsContact O-CG 3.31Å; F221-L225 WeakPolarHBondContact O-CG 3.29Å; F221-L225 PolarHBondContact O-N 2.72Å; F221-H244 WeakPolarHBondContact CZ-O 3.35Å; F221-K247 HydrophobicContact CD2-CB 4.21Å; F221-K247 HydrophobicContact CD2-CD 3.97Å; F221-K247 HydrophobicContact CE1-CB 4.12Å; F221-K247 HydrophobicContact CE2-CB 3.48Å; F221-K247 VanDerWaalsContact CE2-CB 3.48Å; F221-K247 HydrophobicContact CE2-CD 3.53Å; F221-K247 HydrophobicContact CE2-CG 4.16Å; F221-K247 HydrophobicContact CZ-CB 3.42Å; F221-K247 VanDerWaalsContact CZ-CB 3.42Å; F221-K247 HydrophobicContact CZ-CD 4.34Å; F221-R248 HydrophobicContact CE1-CB 4.2Å; F221-M251 HydrophobicContact CB-CE 3.48Å; F221-M251 VanDerWaalsContact CB-CE 3.48Å; F221-M251 HydrophobicContact CD1-CE 3.74Å; F221-M251 HydrophobicContact CG-CE 3.88Å; F221-F306 AromaticContact CD1-CE2 3.91Å; F221-F306 HydrophobicContact CD1-CE2 3.91Å; F221-F306 AromaticContact CD1-CZ 3.97Å; F221-F306 HydrophobicContact CD1-CZ 3.97Å; F221-F306 HydrophobicContact CE1-CE2 4.11Å; F221-F306 AromaticContact CE1-CZ 3.89Å; F221-F306 HydrophobicContact CE1-CZ 3.89Å; F221-W310 HydrophobicContact CZ-CZ3 4.37Å |
| 222 | G | 83.3 | Confident | 83.4 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.1 | -33.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L12 L218 A226 | L12-G222 WeakPolarHBondContact CD1-O 3.41Å; L218-G222 PolarHBondContact O-N 3.4Å; G222-A226 VanDerWaalsContact O-CB 3.24Å; G222-A226 WeakPolarHBondContact O-CB 3.45Å; G222-A226 PolarHBondContact O-N 2.91Å |
| 223 | T | 78.9 | Confident | 83 | Confident | 54 Ų | 54 | 57.3 Ų | 57.3 | 33% | 0.331 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -70.4 | -42.7 | 172.3 | -55 | 0 | 0 | 0 | 0 | 111.9 | Q219 S220 F221 L225 A226 E227 | Q219-T223 WeakPolarHBondContact O-CB 3.45Å; Q219-T223 PolarHBondContact O-N 3.15Å; Q219-T223 PolarHBondContact O-OG1 2.9Å; S220-T223 PolarHBondContact O-N 2.89Å; F221-T223 PolarHBondContact O-N 3.14Å; T223-L225 PolarHBondContact O-N 3.47Å; T223-A226 WeakPolarHBondContact O-CB 3.23Å; T223-A226 PolarHBondContact O-N 3.41Å; T223-E227 HydrophobicContact CG2-CG 4.37Å; T223-E227 WeakPolarHBondContact O-CG 3.47Å; T223-E227 PolarHBondContact O-N 2.91Å |
| 224 | E | 84.3 | Confident | 82.8 | Confident | 76 Ų | 76 | 51.3 Ų | 51.3 | 36% | 0.355 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -56.6 | -49.9 | 172.7 | -173.1 | -173.5 | 169.1 | 0 | 0 | 111.4 | S220 F221 A226 E227 T228 K247 | S220-E224 PolarHBondContact O-N 2.84Å; F221-E224 WeakPolarHBondContact O-CA 3.36Å; F221-E224 WeakPolarHBondContact O-CB 3.47Å; F221-E224 PolarHBondContact O-N 3.05Å; E224-A226 VanDerWaalsContact C-N 3.27Å; E224-A226 PolarHBondContact O-N 2.77Å; E224-E227 PolarHBondContact O-N 2.95Å; E224-T228 WeakPolarHBondContact O-CB 3.44Å; E224-T228 PolarHBondContact O-N 3.29Å; E224-T228 PolarHBondContact O-OG1 2.94Å; E224-K247 IonicContact OE1-NZ 2.68Å; E224-K247 PolarHBondContact OE1-NZ 3.01Å; E224-K247 IonicContact OE2-NZ 2.71Å; E224-K247 PolarHBondContact OE2-NZ 3.36Å |
| 225 | L | 82.1 | Confident | 82.7 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61 | -34.5 | 177.1 | -63.5 | -176.4 | 0 | 0 | 0 | 112.3 | F221 T223 H244 F309 W310 H313 | F221-L225 HydrophobicContact CD1-CD1 4.02Å; F221-L225 HydrophobicContact CD1-CG 4.49Å; F221-L225 HydrophobicContact CD2-CD1 4.45Å; F221-L225 HydrophobicContact CD2-CD2 4.28Å; F221-L225 HydrophobicContact CD2-CG 4.06Å; F221-L225 HydrophobicContact CE1-CD1 3.64Å; F221-L225 HydrophobicContact CE1-CD2 4.47Å; F221-L225 HydrophobicContact CE1-CG 4.24Å; F221-L225 HydrophobicContact CE2-CD1 4.09Å; F221-L225 HydrophobicContact CE2-CD2 3.54Å; F221-L225 HydrophobicContact CE2-CG 3.76Å; F221-L225 HydrophobicContact CG-CD1 4.41Å; F221-L225 HydrophobicContact CG-CG 4.41Å; F221-L225 HydrophobicContact CZ-CD1 3.68Å; F221-L225 HydrophobicContact CZ-CD2 3.66Å; F221-L225 HydrophobicContact CZ-CG 3.87Å; F221-L225 VanDerWaalsContact O-CG 3.31Å; F221-L225 WeakPolarHBondContact O-CG 3.29Å; F221-L225 PolarHBondContact O-N 2.72Å; T223-L225 PolarHBondContact O-N 3.47Å; L225-H244 HydrophobicContact CD2-CB 4.05Å; L225-H244 WeakPolarHBondContact CD2-CE1 3.36Å; L225-H244 WeakPolarHBondContact CD2-ND1 3.44Å; L225-F309 HydrophobicContact CB-CE1 4.02Å; L225-F309 HydrophobicContact CB-CZ 3.87Å; L225-F309 HydrophobicContact CD1-CE1 3.69Å; L225-F309 HydrophobicContact CD1-CZ 4.31Å; L225-F309 HydrophobicContact CG-CE1 4.49Å; L225-W310 HydrophobicContact CD1-CE3 3.94Å; L225-W310 HydrophobicContact CD1-CZ3 4.01Å; L225-W310 HydrophobicContact CD2-CZ3 4.28Å; L225-H313 PolarHBondContact O-CE1 3.1Å |
| 226 | A | 71.4 | Confident | 82.5 | Confident | 35 Ų | 35 | 61.5 Ų | 61.5 | 29% | 0.289 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -75 | -36.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L12 G222 T223 E224 | L12-A226 HydrophobicContact CD1-CB 3.94Å; L12-A226 HydrophobicContact CD2-CB 3.29Å; L12-A226 HydrophobicContact CG-CB 4.24Å; G222-A226 VanDerWaalsContact O-CB 3.24Å; G222-A226 WeakPolarHBondContact O-CB 3.45Å; G222-A226 PolarHBondContact O-N 2.91Å; T223-A226 WeakPolarHBondContact O-CB 3.23Å; T223-A226 PolarHBondContact O-N 3.41Å; E224-A226 VanDerWaalsContact C-N 3.27Å; E224-A226 PolarHBondContact O-N 2.77Å |
| 227 | E | 75 | Confident | 82.4 | Confident | 145 Ų | 145 | 57.5 Ų | 57.5 | 68% | 0.678 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -86.3 | -15.9 | -179.2 | -64.8 | -164.8 | 154.4 | 0 | 0 | 112.9 | T223 E224 E229 | T223-E227 HydrophobicContact CG2-CG 4.37Å; T223-E227 WeakPolarHBondContact O-CG 3.47Å; T223-E227 PolarHBondContact O-N 2.91Å; E224-E227 PolarHBondContact O-N 2.95Å; E227-E229 PolarHBondContact O-N 3.34Å |
| 228 | T | 77.8 | Confident | 82.4 | Confident | 28 Ų | 28 | 57.6 Ų | 57.6 | 17% | 0.172 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -52.5 | 123.5 | 172.3 | -69.5 | 0 | 0 | 0 | 0 | 111.7 | E224 L240 H244 | E224-T228 WeakPolarHBondContact O-CB 3.44Å; E224-T228 PolarHBondContact O-N 3.29Å; E224-T228 PolarHBondContact O-OG1 2.94Å; T228-L240 HydrophobicContact CG2-CD1 4.24Å; T228-L240 HydrophobicContact CG2-CD2 3.74Å; T228-L240 HydrophobicContact CG2-CG 4.42Å; T228-H244 PolarHBondContact OG1-CE1 3.03Å |
| 229 | E | 75.2 | Confident | 82.5 | Confident | 60 Ų | 60 | 61.9 Ų | 61.9 | 28% | 0.28 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -92.3 | 142.8 | 172.6 | -140.4 | 168.4 | -57 | 0 | 0 | 109.8 | E227 P231 K840 R842 K858 | E227-E229 PolarHBondContact O-N 3.34Å; E229-P231 WeakPolarHBondContact O-CD 3.33Å; E229-K840 WeakPolarHBondContact OE1-CD 3.36Å; E229-K840 WeakPolarHBondContact OE1-CE 3.07Å; E229-K840 IonicContact OE1-NZ 2.73Å; E229-K840 PolarHBondContact OE1-NZ 3.48Å; E229-R842 IonicContact OE1-CZ 2.8Å; E229-R842 IonicContact OE1-NH1 3.62Å; E229-R842 PolarHBondContact OE1-NH1 3.28Å; E229-R842 IonicContact OE1-NH2 3.82Å; E229-R842 IonicContact OE2-CZ 2.88Å; E229-R842 IonicContact OE2-NH1 3.14Å; E229-R842 PolarHBondContact OE2-NH1 3.48Å; E229-R842 IonicContact OE2-NH2 3.76Å; E229-R842 PolarHBondContact OE2-NH2 2.87Å; E229-K858 IonicContact OE2-NZ 2.77Å; E229-K858 PolarHBondContact OE2-NZ 2.99Å |
| 230 | L | 78.4 | Confident | 82.6 | Confident | 46 Ų | 46 | 60.6 Ų | 60.6 | 24% | 0.241 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 123 | 174.5 | -71 | -177.6 | 0 | 0 | 0 | 110.2 | K316 L317 C320 Y394 | L230-K316 HydrophobicContact CD2-CG 4Å; L230-L317 HydrophobicContact CD2-CD2 3.86Å; L230-C320 HydrophobicContact CD1-CB 4.19Å; L230-C320 HydrophobicContact CD2-CB 3.58Å; L230-C320 HydrophobicContact CG-CB 4.32Å; L230-Y394 HydrophobicContact CD1-CE1 4.34Å; L230-Y394 HydrophobicContact CD1-CE2 4.36Å; L230-Y394 WeakPolarHBondContact CD1-OH 3.38Å |
| 231 | P | 79.4 | Confident | 82.9 | Confident | 22 Ų | 22 | 57.9 Ų | 57.9 | 14% | 0.143 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 159.1 | 178.8 | -16.2 | 30.6 | 0 | 0 | 0 | 112.7 | E229 T236 T237 L240 R324 | E229-P231 WeakPolarHBondContact O-CD 3.33Å; P231-T236 HydrophobicContact CB-CG2 3.89Å; P231-T236 HydrophobicContact CG-CG2 4.3Å; P231-T237 WeakPolarHBondContact CB-OG1 3.46Å; P231-T237 WeakPolarHBondContact CD-OG1 3.31Å; P231-L240 HydrophobicContact CG-CD2 3.5Å; P231-R324 WeakPolarHBondContact O-CD 3.35Å |
| 232 | N | 79.8 | Confident | 83 | Confident | 136 Ų | 136 | 60.6 Ų | 60.6 | 73% | 0.727 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -91.8 | -3.7 | -177.4 | -72.3 | -11.6 | 0 | 0 | 0 | 114 | R324 | N232-R324 WeakPolarHBondContact O-CD 3.32Å; N232-R324 PolarHBondContact O-NH1 3.37Å |
| 233 | E | 81 | Confident | 83.5 | Confident | 124 Ų | 124 | 63.4 Ų | 63.4 | 58% | 0.579 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -128.5 | 147 | -169.3 | -62.2 | 168.8 | 155 | 0 | 0 | 111.8 | T236 T237 | E233-T236 PolarHBondContact OE2-OG1 3.01Å; E233-T237 PolarHBondContact O-N 3.23Å; E233-T237 PolarHBondContact O-OG1 3.05Å; E233-T237 VanDerWaalsContact O-OG1 3.11Å |
| 234 | I | 87.8 | Confident | 84.1 | Confident | 43 Ų | 43 | 60.9 Ų | 60.9 | 22% | 0.221 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.7 | -56.5 | -178.3 | -65.3 | 169.1 | 0 | 0 | 0 | 111.5 | T236 T237 T238 L321 R324 H325 H328 | I234-T236 VanDerWaalsContact C-N 3.34Å; I234-T236 PolarHBondContact O-N 3.27Å; I234-T237 PolarHBondContact O-N 3.45Å; I234-T238 PolarHBondContact O-N 2.75Å; I234-T238 PolarHBondContact O-OG1 3.09Å; I234-T238 VanDerWaalsContact O-OG1 3.11Å; I234-L321 HydrophobicContact CG2-CD1 4.11Å; I234-R324 HydrophobicContact CG1-CB 3.73Å; I234-H325 WeakPolarHBondContact CG2-NE2 3.33Å; I234-H328 HydrophobicContact CD1-CB 3.76Å |
| 235 | Q | 87.8 | Confident | 84.6 | Confident | 161 Ų | 161 | 58.9 Ų | 58.9 | 75% | 0.752 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -58.3 | -47.1 | -176.1 | -67.6 | 177.3 | -10.2 | 0 | 0 | 111.3 | T237 T238 V239 | Q235-T237 PolarHBondContact O-N 2.75Å; Q235-T238 PolarHBondContact O-N 3.32Å; Q235-V239 WeakPolarHBondContact O-CG2 3.44Å; Q235-V239 PolarHBondContact O-N 3.41Å |
| 236 | T | 85.3 | Confident | 85.1 | Confident | 64 Ų | 64 | 62.6 Ų | 62.6 | 39% | 0.393 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.5 | -39.4 | -179.2 | -47.6 | 0 | 0 | 0 | 0 | 111.9 | P231 E233 I234 L240 | P231-T236 HydrophobicContact CB-CG2 3.89Å; P231-T236 HydrophobicContact CG-CG2 4.3Å; E233-T236 PolarHBondContact OE2-OG1 3.01Å; I234-T236 VanDerWaalsContact C-N 3.34Å; I234-T236 PolarHBondContact O-N 3.27Å; T236-L240 VanDerWaalsContact O-CB 3.27Å; T236-L240 WeakPolarHBondContact O-CB 3.33Å; T236-L240 PolarHBondContact O-N 3.08Å |
| 237 | T | 86 | Confident | 86 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -70 | -38.1 | 172.9 | -58.8 | 0 | 0 | 0 | 0 | 112.7 | P231 E233 I234 Q235 L240 L241 C320 L321 | P231-T237 WeakPolarHBondContact CB-OG1 3.46Å; P231-T237 WeakPolarHBondContact CD-OG1 3.31Å; E233-T237 PolarHBondContact O-N 3.23Å; E233-T237 PolarHBondContact O-OG1 3.05Å; E233-T237 VanDerWaalsContact O-OG1 3.11Å; I234-T237 PolarHBondContact O-N 3.45Å; Q235-T237 PolarHBondContact O-N 2.75Å; T237-L240 PolarHBondContact O-N 2.92Å; T237-L241 WeakPolarHBondContact O-CB 3.27Å; T237-L241 PolarHBondContact O-N 2.96Å; T237-C320 HydrophobicContact CG2-CB 4.23Å; T237-L321 HydrophobicContact CG2-CB 3.85Å; T237-L321 HydrophobicContact CG2-CD1 4.12Å |
| 238 | T | 89.4 | Confident | 86.9 | Confident | 64 Ų | 64 | 59.8 Ų | 59.8 | 39% | 0.393 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.4 | -47 | 175.5 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | I234 Q235 L240 L241 S242 L321 | I234-T238 PolarHBondContact O-N 2.75Å; I234-T238 PolarHBondContact O-OG1 3.09Å; I234-T238 VanDerWaalsContact O-OG1 3.11Å; Q235-T238 PolarHBondContact O-N 3.32Å; T238-L240 VanDerWaalsContact C-N 3.34Å; T238-L240 PolarHBondContact O-N 2.76Å; T238-L241 PolarHBondContact O-N 2.7Å; T238-S242 PolarHBondContact O-N 3.43Å; T238-S242 PolarHBondContact O-OG 2.92Å; T238-L321 WeakPolarHBondContact OG1-CD1 3.1Å |
| 239 | V | 90.3 | Very high | 87.6 | Confident | 89 Ų | 89 | 62.2 Ų | 62.2 | 54% | 0.539 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 177.6 | 172.3 | 0 | 0 | 0 | 0 | 110.4 | Q235 S242 T243 | Q235-V239 WeakPolarHBondContact O-CG2 3.44Å; Q235-V239 PolarHBondContact O-N 3.41Å; V239-S242 PolarHBondContact O-N 2.96Å; V239-S242 PolarHBondContact O-OG 3.35Å; V239-T243 VanDerWaalsContact O-CB 3.31Å; V239-T243 WeakPolarHBondContact O-CB 3.37Å; V239-T243 PolarHBondContact O-N 2.85Å; V239-T243 PolarHBondContact O-OG1 3.01Å |
| 240 | L | 88.9 | Confident | 88.4 | Confident | 36 Ų | 36 | 66 Ų | 66 | 19% | 0.188 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.9 | -48.9 | 176 | -177.1 | 67.8 | 0 | 0 | 0 | 112.1 | T228 P231 T236 T237 T238 T243 H244 L317 | T228-L240 HydrophobicContact CG2-CD1 4.24Å; T228-L240 HydrophobicContact CG2-CD2 3.74Å; T228-L240 HydrophobicContact CG2-CG 4.42Å; P231-L240 HydrophobicContact CG-CD2 3.5Å; T236-L240 VanDerWaalsContact O-CB 3.27Å; T236-L240 WeakPolarHBondContact O-CB 3.33Å; T236-L240 PolarHBondContact O-N 3.08Å; T237-L240 PolarHBondContact O-N 2.92Å; T238-L240 VanDerWaalsContact C-N 3.34Å; T238-L240 PolarHBondContact O-N 2.76Å; L240-T243 PolarHBondContact O-N 3.43Å; L240-H244 VanDerWaalsContact CD1-NE2 3.31Å; L240-H244 WeakPolarHBondContact CD1-NE2 3.42Å; L240-H244 WeakPolarHBondContact O-CB 3.4Å; L240-H244 PolarHBondContact O-CD2 3.32Å; L240-H244 PolarHBondContact O-N 2.99Å; L240-L317 HydrophobicContact CD2-CD2 3.81Å; L240-L317 HydrophobicContact CG-CD2 4.42Å |
| 241 | L | 90.7 | Very high | 89 | Confident | 24 Ų | 24 | 64.3 Ų | 64.3 | 13% | 0.126 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.5 | -48.1 | 177.7 | 175.2 | 57.8 | 0 | 0 | 0 | 111.7 | T237 T238 T243 H244 T245 Q314 L317 E318 L321 | T237-L241 WeakPolarHBondContact O-CB 3.27Å; T237-L241 PolarHBondContact O-N 2.96Å; T238-L241 PolarHBondContact O-N 2.7Å; L241-T243 PolarHBondContact O-N 3.19Å; L241-H244 PolarHBondContact O-N 3.03Å; L241-T245 VanDerWaalsContact O-CB 3.3Å; L241-T245 WeakPolarHBondContact O-CB 3.35Å; L241-T245 PolarHBondContact O-N 3.46Å; L241-T245 PolarHBondContact O-OG1 3.39Å; L241-Q314 HydrophobicContact CD1-CG 4.24Å; L241-L317 HydrophobicContact CB-CB 4.37Å; L241-L317 HydrophobicContact CD1-CB 3.97Å; L241-L317 HydrophobicContact CD1-CD1 4.25Å; L241-E318 HydrophobicContact CD2-CG 3.98Å; L241-L321 HydrophobicContact CD2-CD2 4.4Å |
| 242 | S | 91.1 | Very high | 89.6 | Confident | 65 Ų | 65 | 65.4 Ų | 65.4 | 46% | 0.455 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.2 | -39.4 | 177.4 | 66.3 | 0 | 0 | 0 | 0 | 112.7 | T238 V239 T245 S246 | T238-S242 PolarHBondContact O-N 3.43Å; T238-S242 PolarHBondContact O-OG 2.92Å; V239-S242 PolarHBondContact O-N 2.96Å; V239-S242 PolarHBondContact O-OG 3.35Å; S242-T245 PolarHBondContact O-N 3Å; S242-S246 WeakPolarHBondContact O-CB 3.17Å; S242-S246 PolarHBondContact O-N 2.89Å |
| 243 | T | 92.4 | Very high | 90.1 | Very high | 59 Ų | 59 | 64.5 Ų | 64.5 | 36% | 0.362 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.7 | -46.6 | 176.9 | -56.7 | 0 | 0 | 0 | 0 | 111.5 | V239 L240 L241 S246 K247 | V239-T243 VanDerWaalsContact O-CB 3.31Å; V239-T243 WeakPolarHBondContact O-CB 3.37Å; V239-T243 PolarHBondContact O-N 2.85Å; V239-T243 PolarHBondContact O-OG1 3.01Å; L240-T243 PolarHBondContact O-N 3.43Å; L241-T243 PolarHBondContact O-N 3.19Å; T243-S246 PolarHBondContact O-N 3.28Å; T243-K247 WeakPolarHBondContact O-CG 3.32Å; T243-K247 PolarHBondContact O-N 3.25Å |
| 244 | H | 93.1 | Very high | 90.5 | Very high | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.009 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.2 | -41 | 177.8 | -73.2 | -161.9 | 0 | 0 | 0 | 111.4 | F221 L225 T228 L240 L241 K247 R248 W310 H313 L317 | F221-H244 WeakPolarHBondContact CZ-O 3.35Å; L225-H244 HydrophobicContact CD2-CB 4.05Å; L225-H244 WeakPolarHBondContact CD2-CE1 3.36Å; L225-H244 WeakPolarHBondContact CD2-ND1 3.44Å; T228-H244 PolarHBondContact OG1-CE1 3.03Å; L240-H244 VanDerWaalsContact CD1-NE2 3.31Å; L240-H244 WeakPolarHBondContact CD1-NE2 3.42Å; L240-H244 WeakPolarHBondContact O-CB 3.4Å; L240-H244 PolarHBondContact O-CD2 3.32Å; L240-H244 PolarHBondContact O-N 2.99Å; L241-H244 PolarHBondContact O-N 3.03Å; H244-K247 PolarHBondContact O-N 2.9Å; H244-R248 WeakPolarHBondContact O-CB 3.33Å; H244-R248 PolarHBondContact O-N 2.81Å; H244-W310 VanDerWaalsContact C-CH2 3.49Å; H244-W310 HydrophobicContact CB-CH2 3.73Å; H244-W310 HydrophobicContact CB-CZ3 3.96Å; H244-H313 AromaticContact CE1-NE2 3.89Å; H244-H313 AromaticContact ND1-NE2 3.29Å; H244-H313 PolarHBondContact ND1-NE2 3.41Å; H244-L317 HydrophobicContact CB-CD1 4.46Å |
| 245 | T | 93.1 | Very high | 90.7 | Very high | 33 Ų | 33 | 59.6 Ų | 59.6 | 20% | 0.202 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.8 | -49.9 | 176.7 | -57.9 | 0 | 0 | 0 | 0 | 110.7 | L241 S242 K247 R248 D249 | L241-T245 VanDerWaalsContact O-CB 3.3Å; L241-T245 WeakPolarHBondContact O-CB 3.35Å; L241-T245 PolarHBondContact O-N 3.46Å; L241-T245 PolarHBondContact O-OG1 3.39Å; S242-T245 PolarHBondContact O-N 3Å; T245-K247 PolarHBondContact O-N 3.34Å; T245-R248 VanDerWaalsContact CG2-NH2 3.26Å; T245-R248 WeakPolarHBondContact O-CB 3.49Å; T245-R248 PolarHBondContact O-N 3.21Å; T245-R248 VanDerWaalsContact O-N 3.15Å; T245-D249 PolarHBondContact O-N 3.14Å |
| 246 | S | 93.1 | Very high | 90.9 | Very high | 78 Ų | 78 | 55.7 Ų | 55.7 | 55% | 0.545 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.3 | -38.7 | 177.5 | 179.2 | 0 | 0 | 0 | 0 | 113.3 | S242 T243 D249 K250 | S242-S246 WeakPolarHBondContact O-CB 3.17Å; S242-S246 PolarHBondContact O-N 2.89Å; T243-S246 PolarHBondContact O-N 3.28Å; S246-D249 PolarHBondContact O-N 3.13Å; S246-K250 PolarHBondContact O-N 3.28Å |
| 247 | K | 91.2 | Very high | 91.2 | Very high | 79 Ų | 79 | 55.4 Ų | 55.4 | 34% | 0.343 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63 | -40.8 | 172.5 | -77.1 | -178.6 | 174.2 | -171.8 | 0 | 112.2 | F221 E224 T243 H244 T245 M251 | F221-K247 HydrophobicContact CD2-CB 4.21Å; F221-K247 HydrophobicContact CD2-CD 3.97Å; F221-K247 HydrophobicContact CE1-CB 4.12Å; F221-K247 HydrophobicContact CE2-CB 3.48Å; F221-K247 VanDerWaalsContact CE2-CB 3.48Å; F221-K247 HydrophobicContact CE2-CD 3.53Å; F221-K247 HydrophobicContact CE2-CG 4.16Å; F221-K247 HydrophobicContact CZ-CB 3.42Å; F221-K247 VanDerWaalsContact CZ-CB 3.42Å; F221-K247 HydrophobicContact CZ-CD 4.34Å; E224-K247 IonicContact OE1-NZ 2.68Å; E224-K247 PolarHBondContact OE1-NZ 3.01Å; E224-K247 IonicContact OE2-NZ 2.71Å; E224-K247 PolarHBondContact OE2-NZ 3.36Å; T243-K247 WeakPolarHBondContact O-CG 3.32Å; T243-K247 PolarHBondContact O-N 3.25Å; H244-K247 PolarHBondContact O-N 2.9Å; T245-K247 PolarHBondContact O-N 3.34Å; K247-M251 WeakPolarHBondContact O-CB 3.47Å; K247-M251 PolarHBondContact O-N 3.02Å |
| 248 | R | 93.9 | Very high | 91.6 | Very high | 42 Ų | 42 | 55.4 Ų | 55.4 | 16% | 0.158 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.4 | -46 | 173.9 | 175 | -72.4 | -43.9 | -86.1 | 8.8 | 111.3 | F221 H244 T245 M251 K252 F306 W310 | F221-R248 HydrophobicContact CE1-CB 4.2Å; H244-R248 WeakPolarHBondContact O-CB 3.33Å; H244-R248 PolarHBondContact O-N 2.81Å; T245-R248 VanDerWaalsContact CG2-NH2 3.26Å; T245-R248 WeakPolarHBondContact O-CB 3.49Å; T245-R248 PolarHBondContact O-N 3.21Å; T245-R248 VanDerWaalsContact O-N 3.15Å; R248-M251 PolarHBondContact O-N 3.24Å; R248-K252 PolarHBondContact O-N 3.45Å; R248-F306 HydrophobicContact CB-CZ 4.34Å; R248-F306 HydrophobicContact CG-CE1 4.05Å; R248-F306 HydrophobicContact CG-CZ 4.04Å; R248-W310 HydrophobicContact CB-CD2 4.05Å; R248-W310 HydrophobicContact CB-CE3 3.94Å; R248-W310 HydrophobicContact CB-CH2 4.19Å; R248-W310 HydrophobicContact CB-CZ2 4.29Å; R248-W310 HydrophobicContact CB-CZ3 4.01Å; R248-W310 HydrophobicContact CG-CD2 3.56Å; R248-W310 HydrophobicContact CG-CE3 3.92Å; R248-W310 HydrophobicContact CG-CG 3.8Å; R248-W310 HydrophobicContact CG-CZ2 4.36Å; R248-W310 HydrophobicContact CG-CZ3 4.45Å |
| 249 | D | 92.9 | Very high | 91.7 | Very high | 79 Ų | 79 | 53.8 Ų | 53.8 | 42% | 0.422 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 179.1 | -69.6 | -40.6 | 0 | 0 | 0 | 111.8 | T245 S246 M251 K252 E253 | T245-D249 PolarHBondContact O-N 3.14Å; S246-D249 PolarHBondContact O-N 3.13Å; D249-M251 PolarHBondContact O-N 2.93Å; D249-K252 WeakPolarHBondContact O-CB 3.2Å; D249-K252 PolarHBondContact O-N 3.24Å; D249-E253 PolarHBondContact O-N 3.25Å; D249-E253 VanDerWaalsContact O-N 3.14Å |
| 250 | K | 90.8 | Very high | 91.9 | Very high | 139 Ų | 139 | 52.5 Ų | 52.5 | 60% | 0.604 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -60.5 | -44.6 | 174.4 | -178.3 | 176.3 | 176 | -179.9 | 0 | 112.2 | S246 K252 E253 D254 | S246-K250 PolarHBondContact O-N 3.28Å; K250-K252 PolarHBondContact O-N 2.93Å; K250-E253 WeakPolarHBondContact O-CB 3.32Å; K250-E253 PolarHBondContact O-N 3.39Å; K250-D254 PolarHBondContact O-N 3.35Å |
| 251 | M | 90.6 | Very high | 92.1 | Very high | 11 Ų | 11 | 54.7 Ų | 54.7 | 5% | 0.054 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.4 | -35.8 | 178.8 | -164 | 78.7 | 67.4 | 0 | 0 | 112.1 | T217 L218 F221 K247 R248 D249 D254 I255 F306 | T217-M251 HydrophobicContact CG2-CE 3.88Å; T217-M251 HydrophobicContact CG2-SD 3.95Å; L218-M251 HydrophobicContact CB-SD 4.47Å; L218-M251 HydrophobicContact CD2-CG 3.45Å; L218-M251 VanDerWaalsContact CD2-CG 3.45Å; L218-M251 HydrophobicContact CD2-SD 4.01Å; L218-M251 HydrophobicContact CG-CG 3.81Å; L218-M251 HydrophobicContact CG-SD 3.77Å; F221-M251 HydrophobicContact CB-CE 3.48Å; F221-M251 VanDerWaalsContact CB-CE 3.48Å; F221-M251 HydrophobicContact CD1-CE 3.74Å; F221-M251 HydrophobicContact CG-CE 3.88Å; K247-M251 WeakPolarHBondContact O-CB 3.47Å; K247-M251 PolarHBondContact O-N 3.02Å; R248-M251 PolarHBondContact O-N 3.24Å; D249-M251 PolarHBondContact O-N 2.93Å; M251-D254 PolarHBondContact O-N 3.18Å; M251-I255 HydrophobicContact CG-CD1 4.44Å; M251-I255 WeakPolarHBondContact O-CD1 3.42Å; M251-I255 VanDerWaalsContact O-CG1 3.25Å; M251-I255 WeakPolarHBondContact O-CG1 3.2Å; M251-I255 PolarHBondContact O-N 2.81Å; M251-F306 HydrophobicContact CB-CE1 4.3Å; M251-F306 HydrophobicContact CB-CZ 4.32Å; M251-F306 HydrophobicContact CG-CE1 4.27Å; M251-F306 HydrophobicContact CG-CZ 4.29Å |
| 252 | K | 91.9 | Very high | 92.3 | Very high | 46 Ų | 46 | 53.5 Ų | 53.5 | 20% | 0.2 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64 | -44.2 | 176.3 | -165.5 | 63.1 | 158.4 | -179.3 | 0 | 111 | R248 D249 K250 I255 L256 E303 D307 | R248-K252 PolarHBondContact O-N 3.45Å; D249-K252 WeakPolarHBondContact O-CB 3.2Å; D249-K252 PolarHBondContact O-N 3.24Å; K250-K252 PolarHBondContact O-N 2.93Å; K252-I255 WeakPolarHBondContact O-CB 3.25Å; K252-I255 PolarHBondContact O-N 3.12Å; K252-L256 HydrophobicContact CG-CD1 4.44Å; K252-L256 WeakPolarHBondContact O-CG 3.27Å; K252-L256 PolarHBondContact O-N 3.03Å; K252-E303 HydrophobicContact CD-CG 4.48Å; K252-E303 WeakPolarHBondContact CE-OE1 3.45Å; K252-E303 VanDerWaalsContact NZ-CG 3.33Å; K252-E303 IonicContact NZ-OE1 3.76Å; K252-E303 PolarHBondContact NZ-OE1 3.47Å; K252-D307 IonicContact NZ-OD1 2.66Å; K252-D307 PolarHBondContact NZ-OD1 3.26Å; K252-D307 IonicContact NZ-OD2 2.71Å; K252-D307 PolarHBondContact NZ-OD2 3.18Å |
| 253 | E | 91.5 | Very high | 92.5 | Very high | 116 Ų | 116 | 52.9 Ų | 52.9 | 54% | 0.542 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62 | -45.9 | 173.1 | -168.5 | 65.2 | -163.1 | 0 | 0 | 111.8 | D249 K250 I255 L256 V257 | D249-E253 PolarHBondContact O-N 3.25Å; D249-E253 VanDerWaalsContact O-N 3.14Å; K250-E253 WeakPolarHBondContact O-CB 3.32Å; K250-E253 PolarHBondContact O-N 3.39Å; E253-I255 PolarHBondContact O-N 2.99Å; E253-L256 PolarHBondContact O-N 3.45Å; E253-L256 VanDerWaalsContact O-N 3.14Å; E253-V257 HydrophobicContact CG-CG2 4.48Å; E253-V257 WeakPolarHBondContact O-CG2 3.38Å; E253-V257 PolarHBondContact O-N 3.29Å |
| 254 | D | 89.6 | Confident | 92.5 | Very high | 64 Ų | 64 | 57.3 Ų | 57.3 | 34% | 0.342 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61 | -26 | 177 | -71.2 | -33.9 | 0 | 0 | 0 | 112.6 | K250 M251 | K250-D254 PolarHBondContact O-N 3.35Å; M251-D254 PolarHBondContact O-N 3.18Å |
| 255 | I | 91.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -78.3 | -48.8 | 171.4 | -67.7 | 160.9 | 0 | 0 | 0 | 111.2 | T214 L218 M251 K252 E253 V257 A258 L259 L299 E303 F306 | T214-I255 HydrophobicContact CG2-CG1 3.61Å; L218-I255 HydrophobicContact CD1-CD1 4.04Å; L218-I255 HydrophobicContact CD1-CG1 4.32Å; L218-I255 HydrophobicContact CD2-CD1 4.33Å; M251-I255 HydrophobicContact CG-CD1 4.44Å; M251-I255 WeakPolarHBondContact O-CD1 3.42Å; M251-I255 VanDerWaalsContact O-CG1 3.25Å; M251-I255 WeakPolarHBondContact O-CG1 3.2Å; M251-I255 PolarHBondContact O-N 2.81Å; K252-I255 WeakPolarHBondContact O-CB 3.25Å; K252-I255 PolarHBondContact O-N 3.12Å; E253-I255 PolarHBondContact O-N 2.99Å; I255-V257 VanDerWaalsContact C-N 3.33Å; I255-V257 PolarHBondContact O-N 3.06Å; I255-A258 WeakPolarHBondContact O-CB 3.48Å; I255-A258 PolarHBondContact O-N 3.23Å; I255-L259 HydrophobicContact CG2-CD1 3.96Å; I255-L259 HydrophobicContact CG2-CG 4.38Å; I255-L259 PolarHBondContact O-N 3.02Å; I255-L299 HydrophobicContact CG2-CD1 4.11Å; I255-L299 HydrophobicContact CG2-CG 4.26Å; I255-E303 HydrophobicContact CD1-CG 4.37Å; I255-E303 HydrophobicContact CG2-CB 3.99Å; I255-E303 HydrophobicContact CG2-CG 3.94Å; I255-F306 HydrophobicContact CD1-CD1 4.4Å |
| 256 | L | 91.9 | Very high | 92.6 | Very high | 80 Ų | 80 | 58.1 Ų | 58.1 | 42% | 0.419 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.5 | -41.3 | -178.4 | -71.3 | 169.8 | 0 | 0 | 0 | 111.9 | K252 E253 A258 L259 D260 | K252-L256 HydrophobicContact CG-CD1 4.44Å; K252-L256 WeakPolarHBondContact O-CG 3.27Å; K252-L256 PolarHBondContact O-N 3.03Å; E253-L256 PolarHBondContact O-N 3.45Å; E253-L256 VanDerWaalsContact O-N 3.14Å; L256-A258 VanDerWaalsContact C-N 3.28Å; L256-A258 PolarHBondContact O-N 2.96Å; L256-L259 PolarHBondContact O-N 3.07Å; L256-D260 WeakPolarHBondContact O-CB 3.43Å; L256-D260 PolarHBondContact O-N 2.75Å |
| 257 | V | 92.2 | Very high | 92.5 | Very high | 57 Ų | 57 | 61 Ų | 61 | 35% | 0.345 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.4 | -36.4 | 174.1 | 170.5 | 0 | 0 | 0 | 0 | 111.8 | E253 I255 Q261 | E253-V257 HydrophobicContact CG-CG2 4.48Å; E253-V257 WeakPolarHBondContact O-CG2 3.38Å; E253-V257 PolarHBondContact O-N 3.29Å; I255-V257 VanDerWaalsContact C-N 3.33Å; I255-V257 PolarHBondContact O-N 3.06Å; V257-Q261 VanDerWaalsContact CG1-NE2 3.33Å; V257-Q261 WeakPolarHBondContact O-CG 3.35Å; V257-Q261 PolarHBondContact O-N 2.96Å; V257-Q261 VanDerWaalsContact O-N 3.15Å |
| 258 | A | 92.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -74.1 | -38 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F207 M210 I255 L256 Q261 G262 L299 | F207-A258 VanDerWaalsContact CE2-O 3.27Å; F207-A258 WeakPolarHBondContact CE2-O 3.14Å; M210-A258 HydrophobicContact CG-CB 3.9Å; M210-A258 HydrophobicContact SD-CB 3.78Å; I255-A258 WeakPolarHBondContact O-CB 3.48Å; I255-A258 PolarHBondContact O-N 3.23Å; L256-A258 VanDerWaalsContact C-N 3.28Å; L256-A258 PolarHBondContact O-N 2.96Å; A258-Q261 PolarHBondContact O-N 2.72Å; A258-G262 PolarHBondContact O-N 3.38Å; A258-L299 HydrophobicContact CB-CD2 3.59Å |
| 259 | L | 93.4 | Very high | 92.2 | Very high | 31 Ų | 31 | 58.2 Ų | 58.2 | 16% | 0.162 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 173.9 | -74.2 | 169.2 | 0 | 0 | 0 | 112 | I255 L256 G262 S263 L296 L299 D300 E303 | I255-L259 HydrophobicContact CG2-CD1 3.96Å; I255-L259 HydrophobicContact CG2-CG 4.38Å; I255-L259 PolarHBondContact O-N 3.02Å; L256-L259 PolarHBondContact O-N 3.07Å; L259-G262 PolarHBondContact O-N 3.04Å; L259-S263 WeakPolarHBondContact O-CB 3.49Å; L259-S263 PolarHBondContact O-N 3.4Å; L259-S263 PolarHBondContact O-OG 3.4Å; L259-L296 HydrophobicContact CD2-CD2 4.09Å; L259-L299 HydrophobicContact CB-CD2 4.46Å; L259-L299 HydrophobicContact CD2-CB 4.11Å; L259-L299 HydrophobicContact CD2-CD2 3.71Å; L259-L299 HydrophobicContact CD2-CG 3.84Å; L259-L299 HydrophobicContact CG-CD2 3.67Å; L259-L299 HydrophobicContact CG-CG 4.01Å; L259-D300 HydrophobicContact CD2-CB 4.4Å; L259-E303 VanDerWaalsContact CD1-OE2 3.3Å; L259-E303 WeakPolarHBondContact CD1-OE2 3.3Å |
| 260 | D | 93.2 | Very high | 92 | Very high | 62 Ų | 62 | 56.4 Ų | 56.4 | 33% | 0.332 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.3 | -48.5 | 174.8 | 169 | 78.1 | 0 | 0 | 0 | 111.8 | L256 G262 S263 R264 | L256-D260 WeakPolarHBondContact O-CB 3.43Å; L256-D260 PolarHBondContact O-N 2.75Å; D260-G262 PolarHBondContact O-N 2.93Å; D260-S263 PolarHBondContact O-N 3.45Å; D260-R264 VanDerWaalsContact CG-CZ 3.46Å; D260-R264 VanDerWaalsContact CG-NE 3.26Å; D260-R264 WeakPolarHBondContact O-CG 3.45Å; D260-R264 PolarHBondContact O-N 2.68Å; D260-R264 IonicContact OD1-CZ 2.8Å; D260-R264 IonicContact OD1-NE 3.01Å; D260-R264 PolarHBondContact OD1-NE 3.03Å; D260-R264 IonicContact OD1-NH2 2.96Å; D260-R264 PolarHBondContact OD1-NH2 2.98Å; D260-R264 IonicContact OD2-CZ 3.25Å; D260-R264 IonicContact OD2-NE 3.06Å; D260-R264 PolarHBondContact OD2-NE 3.36Å; D260-R264 IonicContact OD2-NH1 2.86Å; D260-R264 IonicContact OD2-NH2 2.98Å; D260-R264 PolarHBondContact OD2-NH2 2.96Å |
| 261 | Q | 93.4 | Very high | 91.8 | Very high | 81 Ų | 81 | 52.5 Ų | 52.5 | 38% | 0.379 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.9 | -41.8 | 178.1 | -74.4 | -180 | 46 | 0 | 0 | 112.7 | V257 A258 S263 L265 | V257-Q261 VanDerWaalsContact CG1-NE2 3.33Å; V257-Q261 WeakPolarHBondContact O-CG 3.35Å; V257-Q261 PolarHBondContact O-N 2.96Å; V257-Q261 VanDerWaalsContact O-N 3.15Å; A258-Q261 PolarHBondContact O-N 2.72Å; Q261-S263 VanDerWaalsContact C-N 3.32Å; Q261-S263 PolarHBondContact O-N 2.99Å; Q261-L265 WeakPolarHBondContact O-CB 3.5Å; Q261-L265 PolarHBondContact O-N 2.69Å |
| 262 | G | 94.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.8 | -37.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A258 L259 D260 L265 L266 | A258-G262 PolarHBondContact O-N 3.38Å; L259-G262 PolarHBondContact O-N 3.04Å; D260-G262 PolarHBondContact O-N 2.93Å; G262-L265 PolarHBondContact O-N 2.75Å; G262-L266 WeakPolarHBondContact O-CB 3.42Å; G262-L266 PolarHBondContact O-N 3Å |
| 263 | S | 94.8 | Very high | 91.2 | Very high | 51 Ų | 51 | 53.5 Ų | 53.5 | 36% | 0.357 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.7 | -46.6 | 177.9 | -58.4 | 0 | 0 | 0 | 0 | 111.8 | L259 D260 Q261 L265 L266 E267 | L259-S263 WeakPolarHBondContact O-CB 3.49Å; L259-S263 PolarHBondContact O-N 3.4Å; L259-S263 PolarHBondContact O-OG 3.4Å; D260-S263 PolarHBondContact O-N 3.45Å; Q261-S263 VanDerWaalsContact C-N 3.32Å; Q261-S263 PolarHBondContact O-N 2.99Å; S263-L265 VanDerWaalsContact C-N 3.29Å; S263-L265 PolarHBondContact O-N 3.25Å; S263-L266 WeakPolarHBondContact O-CB 3.44Å; S263-L266 PolarHBondContact O-N 3.03Å; S263-L266 VanDerWaalsContact O-N 3.12Å; S263-E267 WeakPolarHBondContact O-CG 3.43Å; S263-E267 PolarHBondContact O-N 3.4Å |
| 264 | R | 93.6 | Very high | 90.7 | Very high | 152 Ų | 152 | 55.5 Ų | 55.5 | 57% | 0.574 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -63 | -35 | 175.1 | -65.9 | 174.2 | -166.4 | -169.5 | 8.3 | 112.4 | D260 S268 | D260-R264 VanDerWaalsContact CG-CZ 3.46Å; D260-R264 VanDerWaalsContact CG-NE 3.26Å; D260-R264 WeakPolarHBondContact O-CG 3.45Å; D260-R264 PolarHBondContact O-N 2.68Å; D260-R264 IonicContact OD1-CZ 2.8Å; D260-R264 IonicContact OD1-NE 3.01Å; D260-R264 PolarHBondContact OD1-NE 3.03Å; D260-R264 IonicContact OD1-NH2 2.96Å; D260-R264 PolarHBondContact OD1-NH2 2.98Å; D260-R264 IonicContact OD2-CZ 3.25Å; D260-R264 IonicContact OD2-NE 3.06Å; D260-R264 PolarHBondContact OD2-NE 3.36Å; D260-R264 IonicContact OD2-NH1 2.86Å; D260-R264 IonicContact OD2-NH2 2.98Å; D260-R264 PolarHBondContact OD2-NH2 2.96Å; R264-S268 WeakPolarHBondContact O-CB 3.24Å; R264-S268 PolarHBondContact O-N 3.42Å |
| 265 | L | 94.1 | Very high | 90.4 | Very high | 14 Ų | 14 | 62 Ų | 62 | 7% | 0.073 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67 | -42.4 | 172.5 | 176.6 | 57.7 | 0 | 0 | 0 | 111.5 | A203 I204 F207 Q261 G262 S263 S268 I269 V292 | A203-L265 HydrophobicContact CB-CD1 3.67Å; A203-L265 HydrophobicContact CB-CD2 4.38Å; I204-L265 HydrophobicContact CG1-CD1 4.24Å; I204-L265 HydrophobicContact CG1-CD2 3.92Å; I204-L265 HydrophobicContact CG1-CG 4.47Å; F207-L265 HydrophobicContact CB-CD2 3.88Å; F207-L265 HydrophobicContact CD1-CD2 4.1Å; F207-L265 HydrophobicContact CG-CD2 4.28Å; Q261-L265 WeakPolarHBondContact O-CB 3.5Å; Q261-L265 PolarHBondContact O-N 2.69Å; G262-L265 PolarHBondContact O-N 2.75Å; S263-L265 VanDerWaalsContact C-N 3.29Å; S263-L265 PolarHBondContact O-N 3.25Å; L265-S268 PolarHBondContact O-N 3.41Å; L265-I269 HydrophobicContact CD1-CD1 4Å; L265-I269 HydrophobicContact CD1-CG1 4.29Å; L265-I269 HydrophobicContact CG-CD1 4.1Å; L265-I269 WeakPolarHBondContact O-CG1 3.4Å; L265-I269 PolarHBondContact O-N 2.99Å; L265-V292 HydrophobicContact CD2-CG1 4.3Å; L265-V292 HydrophobicContact CD2-CG2 3.77Å; L265-V292 HydrophobicContact CG-CG1 4.26Å; L265-V292 HydrophobicContact CG-CG2 4.07Å |
| 266 | L | 93.8 | Very high | 90 | Very high | 39 Ų | 39 | 65.7 Ų | 65.7 | 20% | 0.204 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.4 | -44 | 175.7 | -177.4 | 62.2 | 0 | 0 | 0 | 111.5 | G262 S263 I269 N270 L289 V292 Q293 L296 | G262-L266 WeakPolarHBondContact O-CB 3.42Å; G262-L266 PolarHBondContact O-N 3Å; S263-L266 WeakPolarHBondContact O-CB 3.44Å; S263-L266 PolarHBondContact O-N 3.03Å; S263-L266 VanDerWaalsContact O-N 3.12Å; L266-I269 PolarHBondContact O-N 3.35Å; L266-N270 WeakPolarHBondContact CD1-ND2 3.39Å; L266-N270 PolarHBondContact O-N 3.37Å; L266-N270 PolarHBondContact O-ND2 2.85Å; L266-L289 HydrophobicContact CD1-CD1 3.43Å; L266-L289 VanDerWaalsContact CD1-CD1 3.43Å; L266-V292 HydrophobicContact CB-CG1 4.02Å; L266-V292 HydrophobicContact CD1-CG1 4.39Å; L266-Q293 HydrophobicContact CD1-CG 3.61Å; L266-Q293 HydrophobicContact CD2-CG 4.22Å; L266-L296 HydrophobicContact CB-CD1 4.19Å; L266-L296 HydrophobicContact CD2-CD1 3.82Å |
| 267 | E | 91.1 | Very high | 89.5 | Confident | 137 Ų | 137 | 67.5 Ų | 67.5 | 64% | 0.64 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -59.6 | -44.4 | 172.1 | -71 | 174.3 | 173.3 | 0 | 0 | 111.7 | S263 I269 N270 E271 | S263-E267 WeakPolarHBondContact O-CG 3.43Å; S263-E267 PolarHBondContact O-N 3.4Å; E267-I269 VanDerWaalsContact C-N 3.29Å; E267-I269 PolarHBondContact O-N 3.43Å; E267-N270 PolarHBondContact O-N 3.06Å; E267-E271 PolarHBondContact O-N 2.69Å |
| 268 | S | 90.5 | Very high | 88.9 | Confident | 55 Ų | 55 | 72.2 Ų | 72.2 | 39% | 0.385 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65 | -27.1 | 179.2 | -174.8 | 0 | 0 | 0 | 0 | 114.3 | H200 R264 L265 | H200-S268 PolarHBondContact NE2-O 2.96Å; H200-S268 VanDerWaalsContact NE2-O 3.08Å; H200-S268 PolarHBondContact NE2-OG 3.02Å; R264-S268 WeakPolarHBondContact O-CB 3.24Å; R264-S268 PolarHBondContact O-N 3.42Å; L265-S268 PolarHBondContact O-N 3.41Å |
| 269 | I | 87.9 | Confident | 88.4 | Confident | 8 Ų | 8 | 75 Ų | 75 | 4% | 0.041 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -81.8 | -37.7 | 174.8 | -66.5 | 166.4 | 0 | 0 | 0 | 110.9 | I204 L265 L266 E267 E271 P272 L289 V292 | I204-I269 HydrophobicContact CD1-CD1 4.03Å; I204-I269 HydrophobicContact CG1-CD1 4.24Å; L265-I269 HydrophobicContact CD1-CD1 4Å; L265-I269 HydrophobicContact CD1-CG1 4.29Å; L265-I269 HydrophobicContact CG-CD1 4.1Å; L265-I269 WeakPolarHBondContact O-CG1 3.4Å; L265-I269 PolarHBondContact O-N 2.99Å; L266-I269 PolarHBondContact O-N 3.35Å; E267-I269 VanDerWaalsContact C-N 3.29Å; E267-I269 PolarHBondContact O-N 3.43Å; I269-E271 VanDerWaalsContact C-N 3.3Å; I269-E271 PolarHBondContact O-N 2.94Å; I269-P272 VanDerWaalsContact O-CD 3.32Å; I269-P272 WeakPolarHBondContact O-CD 3.25Å; I269-L289 HydrophobicContact CG2-CB 4.1Å; I269-L289 HydrophobicContact CG2-CD1 4.19Å; I269-V292 HydrophobicContact CD1-CB 4.48Å; I269-V292 HydrophobicContact CD1-CG2 3.79Å |
| 270 | N | 88.8 | Confident | 87.8 | Confident | 42 Ų | 42 | 80.7 Ų | 80.7 | 23% | 0.225 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -77.9 | -11 | 176.8 | -71.7 | -77.1 | 0 | 0 | 0 | 113.9 | L266 E267 P272 V273 M274 L289 | L266-N270 WeakPolarHBondContact CD1-ND2 3.39Å; L266-N270 PolarHBondContact O-N 3.37Å; L266-N270 PolarHBondContact O-ND2 2.85Å; E267-N270 PolarHBondContact O-N 3.06Å; N270-P272 VanDerWaalsContact C-N 3.34Å; N270-V273 PolarHBondContact O-N 3.01Å; N270-M274 HydrophobicContact CB-CG 4.3Å; N270-M274 WeakPolarHBondContact O-CG 3.42Å; N270-M274 PolarHBondContact O-N 3.45Å; N270-L289 VanDerWaalsContact ND2-CD1 3.29Å; N270-L289 WeakPolarHBondContact ND2-CD1 3.48Å |
| 271 | E | 86.8 | Confident | 87.3 | Confident | 56 Ų | 56 | 78.6 Ų | 78.6 | 26% | 0.262 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -48.2 | -40.6 | -176.3 | -168.3 | -101 | 179.6 | 0 | 0 | 115.4 | K196 E267 I269 M274 R275 | K196-E271 IonicContact NZ-OE2 2.72Å; E267-E271 PolarHBondContact O-N 2.69Å; I269-E271 VanDerWaalsContact C-N 3.3Å; I269-E271 PolarHBondContact O-N 2.94Å; E271-M274 PolarHBondContact O-N 3.22Å; E271-R275 PolarHBondContact O-N 3.39Å; E271-R275 VanDerWaalsContact O-N 3.1Å; E271-R275 IonicContact OE1-CZ 2.87Å; E271-R275 IonicContact OE1-NE 2.65Å; E271-R275 PolarHBondContact OE1-NE 2.59Å; E271-R275 IonicContact OE1-NH2 3.27Å; E271-R275 PolarHBondContact OE1-NH2 3.2Å |
| 272 | P | 84.1 | Confident | 86.9 | Confident | 26 Ų | 26 | 76.2 Ų | 76.2 | 17% | 0.169 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64.2 | -45.6 | 176 | -21.8 | 35 | 0 | 0 | 0 | 112.7 | I269 N270 M274 R275 D276 M281 | I269-P272 VanDerWaalsContact O-CD 3.32Å; I269-P272 WeakPolarHBondContact O-CD 3.25Å; N270-P272 VanDerWaalsContact C-N 3.34Å; P272-M274 VanDerWaalsContact C-N 3.3Å; P272-M274 PolarHBondContact O-N 2.89Å; P272-R275 PolarHBondContact O-N 3.44Å; P272-D276 PolarHBondContact O-N 2.91Å; P272-M281 HydrophobicContact CB-CE 4.17Å; P272-M281 HydrophobicContact CG-CE 4.08Å |
| 273 | V | 84.9 | Confident | 86.3 | Confident | 52 Ų | 52 | 80.6 Ų | 80.6 | 32% | 0.315 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -67 | -33.3 | 178.8 | -172.1 | 0 | 0 | 0 | 0 | 111.4 | N270 R275 D276 M281 | N270-V273 PolarHBondContact O-N 3.01Å; V273-R275 VanDerWaalsContact C-N 3.34Å; V273-D276 CarbonylContact O-C 3.48Å; V273-M281 HydrophobicContact CG2-CE 4.13Å; V273-M281 HydrophobicContact CG2-CG 3.52Å; V273-M281 HydrophobicContact CG2-SD 3.77Å |
| 274 | M | 82.4 | Confident | 85.8 | Confident | 159 Ų | 159 | 78.5 Ų | 78.5 | 78% | 0.783 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -72.3 | -24.3 | 175.5 | -69.3 | -67.1 | -68.8 | 0 | 0 | 113.2 | N270 E271 P272 | N270-M274 HydrophobicContact CB-CG 4.3Å; N270-M274 WeakPolarHBondContact O-CG 3.42Å; N270-M274 PolarHBondContact O-N 3.45Å; E271-M274 PolarHBondContact O-N 3.22Å; P272-M274 VanDerWaalsContact C-N 3.3Å; P272-M274 PolarHBondContact O-N 2.89Å |
| 275 | R | 83.3 | Confident | 85.4 | Confident | 199 Ų | 199 | 74 Ų | 74 | 75% | 0.751 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -86.2 | -37.1 | 171.5 | -71.8 | -157.9 | -159.5 | -140.9 | 7.1 | 113.2 | E271 P272 V273 | E271-R275 PolarHBondContact O-N 3.39Å; E271-R275 VanDerWaalsContact O-N 3.1Å; E271-R275 IonicContact OE1-CZ 2.87Å; E271-R275 IonicContact OE1-NE 2.65Å; E271-R275 PolarHBondContact OE1-NE 2.59Å; E271-R275 IonicContact OE1-NH2 3.27Å; E271-R275 PolarHBondContact OE1-NH2 3.2Å; P272-R275 PolarHBondContact O-N 3.44Å; V273-R275 VanDerWaalsContact C-N 3.34Å |
| 276 | D | 83.6 | Confident | 85.1 | Confident | 79 Ų | 79 | 77.1 Ų | 77.1 | 42% | 0.422 | 39% | 0.394 | S | S | . | . | trans | -135.5 | 101.1 | -173.5 | -177.6 | 2 | 0 | 0 | 0 | 109.8 | P272 V273 D278 H279 | P272-D276 PolarHBondContact O-N 2.91Å; V273-D276 CarbonylContact O-C 3.48Å; D276-D278 PolarHBondContact O-N 3.15Å; D276-D278 PolarHBondContact OD1-N 2.87Å; D276-D278 VanDerWaalsContact OD1-N 3.1Å; D276-H279 HydrophobicContact CB-CB 4.1Å; D276-H279 WeakPolarHBondContact O-CB 3.4Å; D276-H279 PolarHBondContact O-N 2.91Å | ||
| 277 | P | 80.1 | Confident | 84.8 | Confident | 117 Ų | 117 | 77.7 Ų | 77.7 | 76% | 0.76 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -17 | 179.6 | -24.7 | 35.7 | 0 | 0 | 0 | 114.9 | H279 | P277-H279 VanDerWaalsContact C-N 3.3Š|
| 278 | D | 79.7 | Confident | 84.6 | Confident | 157 Ų | 157 | 72.2 Ų | 72.2 | 84% | 0.84 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | 0.6 | 174.3 | -69.3 | -37.9 | 0 | 0 | 0 | 111.9 | D276 N280 | D276-D278 PolarHBondContact O-N 3.15Å; D276-D278 PolarHBondContact OD1-N 2.87Å; D276-D278 VanDerWaalsContact OD1-N 3.1Å; D278-N280 PolarHBondContact O-N 3Å |
| 279 | H | 81.6 | Confident | 84.7 | Confident | 58 Ų | 58 | 70.6 Ų | 70.6 | 27% | 0.269 | 36% | 0.358 | S | S | . | . | trans | -70 | 108.7 | 178 | -176.3 | 91.3 | 0 | 0 | 0 | 112.4 | D276 P277 M281 | D276-H279 HydrophobicContact CB-CB 4.1Å; D276-H279 WeakPolarHBondContact O-CB 3.4Å; D276-H279 PolarHBondContact O-N 2.91Å; P277-H279 VanDerWaalsContact C-N 3.3Å; H279-M281 VanDerWaalsContact NE2-CE 3.32Å; H279-M281 WeakPolarHBondContact NE2-CE 3.31Å; H279-M281 PolarHBondContact O-N 3.11Å | ||
| 280 | N | 81.2 | Confident | 84.8 | Confident | 151 Ų | 151 | 72.8 Ų | 72.8 | 81% | 0.807 | 38% | 0.377 | S | S | * | . | trans | -85.5 | 100.1 | 176.3 | -170.9 | 39.7 | 0 | 0 | 0 | 111.5 | D278 | D278-N280 PolarHBondContact O-N 3Š| ||
| 281 | M | 83.8 | Confident | 84.9 | Confident | 18 Ų | 18 | 72 Ų | 72 | 9% | 0.089 | 37% | 0.374 | C | S | . | . | trans | -53.3 | 140.5 | 174.9 | -64.3 | -104.7 | 86.2 | 0 | 0 | 111.8 | P272 V273 H279 E285 L286 | P272-M281 HydrophobicContact CB-CE 4.17Å; P272-M281 HydrophobicContact CG-CE 4.08Å; V273-M281 HydrophobicContact CG2-CE 4.13Å; V273-M281 HydrophobicContact CG2-CG 3.52Å; V273-M281 HydrophobicContact CG2-SD 3.77Å; H279-M281 VanDerWaalsContact NE2-CE 3.32Å; H279-M281 WeakPolarHBondContact NE2-CE 3.31Å; H279-M281 PolarHBondContact O-N 3.11Å; M281-E285 HydrophobicContact CB-CB 4.22Å; M281-E285 HydrophobicContact CE-CB 4.09Å; M281-E285 HydrophobicContact CE-CG 4.24Å; M281-E285 HydrophobicContact SD-CB 3.93Å; M281-L286 HydrophobicContact CB-CD2 4.07Å; M281-L286 HydrophobicContact CB-CG 4.04Å | ||
| 282 | N | 83.5 | Confident | 85.3 | Confident | 30 Ų | 30 | 69.3 Ų | 69.3 | 16% | 0.16 | 36% | 0.361 | C | S | . | . | trans | -81.6 | 168.5 | 175.4 | 83.2 | 73.7 | 0 | 0 | 0 | 112.7 | G55 D284 E285 L286 | G55-N282 WeakPolarHBondContact CA-OD1 3.35Å; N282-D284 VanDerWaalsContact C-N 3.32Å; N282-D284 PolarHBondContact O-N 3.16Å; N282-D284 PolarHBondContact OD1-N 3.21Å; N282-E285 PolarHBondContact N-OE2 2.77Å; N282-E285 WeakPolarHBondContact ND2-CG 3.37Å; N282-E285 PolarHBondContact ND2-OE2 3.14Å; N282-E285 WeakPolarHBondContact O-CB 3.49Å; N282-E285 PolarHBondContact O-N 3.05Å; N282-E285 PolarHBondContact OD1-N 3.44Å; N282-L286 WeakPolarHBondContact O-CG 3.3Å; N282-L286 PolarHBondContact O-N 2.95Å | ||
| 283 | Q | 83.3 | Confident | 85.8 | Confident | 92 Ų | 92 | 72.7 Ų | 72.7 | 43% | 0.43 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58.5 | -38.7 | -174.5 | -176.5 | 60.9 | 28.4 | 0 | 0 | 113.4 | L286 E287 | Q283-L286 PolarHBondContact O-N 3.39Å; Q283-E287 WeakPolarHBondContact CG-OE1 3.37Å; Q283-E287 PolarHBondContact NE2-OE1 3.41Å; Q283-E287 WeakPolarHBondContact O-CG 3.29Å; Q283-E287 PolarHBondContact O-N 2.83Å |
| 284 | D | 83.1 | Confident | 86.2 | Confident | 8 Ų | 8 | 74.9 Ų | 74.9 | 4% | 0.043 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -72.7 | -33.1 | 177.3 | -69.3 | -30.9 | 0 | 0 | 0 | 111.4 | G55 R57 N282 E287 N288 | G55-D284 WeakPolarHBondContact CA-OD2 3.42Å; R57-D284 IonicContact CZ-OD1 3.71Å; R57-D284 IonicContact CZ-OD2 3.87Å; R57-D284 IonicContact NH1-OD1 3.91Å; R57-D284 PolarHBondContact NH1-OD1 3.11Å; R57-D284 VanDerWaalsContact NH1-OD1 3.14Å; R57-D284 IonicContact NH1-OD2 2.64Å; R57-D284 PolarHBondContact NH1-OD2 3.29Å; R57-D284 IonicContact NH2-OD1 2.83Å; R57-D284 PolarHBondContact NH2-OD1 2.9Å; R57-D284 IonicContact NH2-OD2 3.92Å; N282-D284 VanDerWaalsContact C-N 3.32Å; N282-D284 PolarHBondContact O-N 3.16Å; N282-D284 PolarHBondContact OD1-N 3.21Å; D284-E287 PolarHBondContact O-N 3.47Å; D284-N288 VanDerWaalsContact O-CB 3.29Å; D284-N288 WeakPolarHBondContact O-CB 3.47Å; D284-N288 VanDerWaalsContact O-CG 3.24Å; D284-N288 PolarHBondContact O-N 3.4Å; D284-N288 PolarHBondContact O-ND2 2.87Å |
| 285 | E | 85.9 | Confident | 86.7 | Confident | 57 Ų | 57 | 67.3 Ų | 67.3 | 27% | 0.266 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65 | -41.4 | 173.7 | -71.2 | 167.5 | 145.6 | 0 | 0 | 111.2 | M281 N282 N288 L289 | M281-E285 HydrophobicContact CB-CB 4.22Å; M281-E285 HydrophobicContact CE-CB 4.09Å; M281-E285 HydrophobicContact CE-CG 4.24Å; M281-E285 HydrophobicContact SD-CB 3.93Å; N282-E285 PolarHBondContact N-OE2 2.77Å; N282-E285 WeakPolarHBondContact ND2-CG 3.37Å; N282-E285 PolarHBondContact ND2-OE2 3.14Å; N282-E285 WeakPolarHBondContact O-CB 3.49Å; N282-E285 PolarHBondContact O-N 3.05Å; N282-E285 PolarHBondContact OD1-N 3.44Å; E285-N288 PolarHBondContact O-N 3.06Å; E285-L289 WeakPolarHBondContact O-CB 3.39Å; E285-L289 PolarHBondContact O-N 2.97Å |
| 286 | L | 87.8 | Confident | 87.3 | Confident | 80 Ų | 80 | 58.9 Ų | 58.9 | 42% | 0.419 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65 | -41.9 | 174 | -68.1 | 168.8 | 0 | 0 | 0 | 112.6 | M281 N282 Q283 L289 A290 | M281-L286 HydrophobicContact CB-CD2 4.07Å; M281-L286 HydrophobicContact CB-CG 4.04Å; N282-L286 WeakPolarHBondContact O-CG 3.3Å; N282-L286 PolarHBondContact O-N 2.95Å; Q283-L286 PolarHBondContact O-N 3.39Å; L286-L289 PolarHBondContact O-N 2.67Å; L286-A290 WeakPolarHBondContact O-CB 3.41Å; L286-A290 PolarHBondContact O-N 3.35Å |
| 287 | E | 86.8 | Confident | 87.8 | Confident | 50 Ų | 50 | 57.6 Ų | 57.6 | 23% | 0.234 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.5 | -38.4 | 176 | -76.2 | 178.4 | -145.8 | 0 | 0 | 112.2 | S93 Q283 D284 T291 | S93-E287 WeakPolarHBondContact CB-OE2 3.39Å; S93-E287 PolarHBondContact OG-OE1 3.21Å; S93-E287 PolarHBondContact OG-OE2 3.15Å; Q283-E287 WeakPolarHBondContact CG-OE1 3.37Å; Q283-E287 PolarHBondContact NE2-OE1 3.41Å; Q283-E287 WeakPolarHBondContact O-CG 3.29Å; Q283-E287 PolarHBondContact O-N 2.83Å; D284-E287 PolarHBondContact O-N 3.47Å; E287-T291 VanDerWaalsContact O-CB 3.31Å; E287-T291 WeakPolarHBondContact O-CB 3.39Å; E287-T291 PolarHBondContact O-N 3.44Å; E287-T291 PolarHBondContact O-OG1 2.69Å |
| 288 | N | 88.8 | Confident | 88.3 | Confident | 22 Ų | 22 | 53.1 Ų | 53.1 | 12% | 0.118 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.3 | -44.9 | 173 | -75.8 | -57.4 | 0 | 0 | 0 | 111.5 | R201 I204 D284 E285 T291 V292 | R201-N288 PolarHBondContact NH1-OD1 2.78Å; I204-N288 HydrophobicContact CD1-CB 3.7Å; I204-N288 VanDerWaalsContact CD1-OD1 3.27Å; I204-N288 WeakPolarHBondContact CD1-OD1 3.29Å; D284-N288 VanDerWaalsContact O-CB 3.29Å; D284-N288 WeakPolarHBondContact O-CB 3.47Å; D284-N288 VanDerWaalsContact O-CG 3.24Å; D284-N288 PolarHBondContact O-N 3.4Å; D284-N288 PolarHBondContact O-ND2 2.87Å; E285-N288 PolarHBondContact O-N 3.06Å; N288-T291 WeakPolarHBondContact O-CB 3.18Å; N288-T291 PolarHBondContact O-N 2.92Å; N288-V292 PolarHBondContact O-N 2.83Å |
| 289 | L | 90.9 | Very high | 88.9 | Confident | 22 Ų | 22 | 45.8 Ų | 45.8 | 12% | 0.115 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.8 | -52.8 | 176.7 | 176.1 | 65.7 | 0 | 0 | 0 | 111.5 | L266 I269 N270 E285 L286 T291 V292 Q293 | L266-L289 HydrophobicContact CD1-CD1 3.43Å; L266-L289 VanDerWaalsContact CD1-CD1 3.43Å; I269-L289 HydrophobicContact CG2-CB 4.1Å; I269-L289 HydrophobicContact CG2-CD1 4.19Å; N270-L289 VanDerWaalsContact ND2-CD1 3.29Å; N270-L289 WeakPolarHBondContact ND2-CD1 3.48Å; E285-L289 WeakPolarHBondContact O-CB 3.39Å; E285-L289 PolarHBondContact O-N 2.97Å; L286-L289 PolarHBondContact O-N 2.67Å; L289-T291 PolarHBondContact O-N 3.08Å; L289-V292 PolarHBondContact O-N 2.67Å; L289-Q293 HydrophobicContact CD1-CG 4.47Å; L289-Q293 WeakPolarHBondContact O-CG 3.36Å; L289-Q293 PolarHBondContact O-N 2.89Å |
| 290 | A | 90.7 | Very high | 89.3 | Confident | 53 Ų | 53 | 45.7 Ų | 45.7 | 44% | 0.438 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.6 | -33.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L286 R294 | L286-A290 WeakPolarHBondContact O-CB 3.41Å; L286-A290 PolarHBondContact O-N 3.35Å; A290-R294 VanDerWaalsContact O-CB 3.24Å; A290-R294 WeakPolarHBondContact O-CB 3.36Å; A290-R294 PolarHBondContact O-N 3.4Å |
| 291 | T | 91.4 | Very high | 89.7 | Confident | 26 Ų | 26 | 42.2 Ų | 42.2 | 16% | 0.16 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.6 | -46.7 | 175.8 | -65.1 | 0 | 0 | 0 | 0 | 112.1 | I29 E287 N288 L289 R294 L295 | I29-T291 HydrophobicContact CD1-CG2 3.76Å; I29-T291 HydrophobicContact CG1-CG2 4.02Å; I29-T291 HydrophobicContact CG2-CG2 4.08Å; E287-T291 VanDerWaalsContact O-CB 3.31Å; E287-T291 WeakPolarHBondContact O-CB 3.39Å; E287-T291 PolarHBondContact O-N 3.44Å; E287-T291 PolarHBondContact O-OG1 2.69Å; N288-T291 WeakPolarHBondContact O-CB 3.18Å; N288-T291 PolarHBondContact O-N 2.92Å; L289-T291 PolarHBondContact O-N 3.08Å; T291-R294 PolarHBondContact O-N 2.84Å; T291-L295 HydrophobicContact CG2-CD1 4.2Å; T291-L295 WeakPolarHBondContact O-CG 3.43Å; T291-L295 PolarHBondContact O-N 3.12Å |
| 292 | V | 94.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.6 | -42 | 178 | 176 | 0 | 0 | 0 | 0 | 111.3 | I204 F207 L265 L266 I269 N288 L289 R294 L295 L296 | I204-V292 HydrophobicContact CG1-CG2 3.98Å; F207-V292 HydrophobicContact CD1-CG1 4.3Å; F207-V292 HydrophobicContact CE1-CG1 4.07Å; L265-V292 HydrophobicContact CD2-CG1 4.3Å; L265-V292 HydrophobicContact CD2-CG2 3.77Å; L265-V292 HydrophobicContact CG-CG1 4.26Å; L265-V292 HydrophobicContact CG-CG2 4.07Å; L266-V292 HydrophobicContact CB-CG1 4.02Å; L266-V292 HydrophobicContact CD1-CG1 4.39Å; I269-V292 HydrophobicContact CD1-CB 4.48Å; I269-V292 HydrophobicContact CD1-CG2 3.79Å; N288-V292 PolarHBondContact O-N 2.83Å; L289-V292 PolarHBondContact O-N 2.67Å; V292-R294 PolarHBondContact O-N 3.45Å; V292-L295 PolarHBondContact O-N 2.98Å; V292-L296 HydrophobicContact CG1-CD1 4.22Å; V292-L296 PolarHBondContact O-N 3.44Å |
| 293 | Q | 94.6 | Very high | 90.2 | Very high | 97 Ų | 97 | 41.2 Ų | 41.2 | 45% | 0.453 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.3 | -43.6 | 174.6 | -71.6 | 176.8 | -18 | 0 | 0 | 112.4 | L266 L289 L296 S297 | L266-Q293 HydrophobicContact CD1-CG 3.61Å; L266-Q293 HydrophobicContact CD2-CG 4.22Å; L289-Q293 HydrophobicContact CD1-CG 4.47Å; L289-Q293 WeakPolarHBondContact O-CG 3.36Å; L289-Q293 PolarHBondContact O-N 2.89Å; Q293-L296 PolarHBondContact O-N 2.72Å; Q293-S297 PolarHBondContact O-N 2.78Å |
| 294 | R | 93.6 | Very high | 90.6 | Very high | 98 Ų | 98 | 43 Ų | 43 | 37% | 0.37 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62 | -44.7 | 176.5 | 177.4 | 170.4 | 61.3 | 138.7 | -4.9 | 112 | T25 A290 T291 V292 S297 Q298 | T25-R294 VanDerWaalsContact CG2-NH1 3.32Å; A290-R294 VanDerWaalsContact O-CB 3.24Å; A290-R294 WeakPolarHBondContact O-CB 3.36Å; A290-R294 PolarHBondContact O-N 3.4Å; T291-R294 PolarHBondContact O-N 2.84Å; V292-R294 PolarHBondContact O-N 3.45Å; R294-S297 PolarHBondContact O-N 2.89Å; R294-Q298 WeakPolarHBondContact O-CB 3.32Å; R294-Q298 WeakPolarHBondContact O-CG 3.32Å; R294-Q298 PolarHBondContact O-N 3.06Å |
| 295 | L | 94.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.9 | -37.4 | 178.2 | -73.1 | 172.5 | 0 | 0 | 0 | 112.4 | T25 I26 I29 F207 A208 V211 T291 V292 L299 | T25-L295 HydrophobicContact CG2-CD2 4.43Å; I26-L295 HydrophobicContact CD1-CD2 3.91Å; I26-L295 HydrophobicContact CG1-CD2 3.55Å; I29-L295 HydrophobicContact CD1-CD1 4.17Å; I29-L295 HydrophobicContact CD1-CD2 3.91Å; I29-L295 HydrophobicContact CD1-CG 4.11Å; F207-L295 HydrophobicContact CD1-CB 4.32Å; F207-L295 HydrophobicContact CD1-CD1 4.06Å; F207-L295 HydrophobicContact CE1-CB 3.57Å; F207-L295 HydrophobicContact CE1-CD1 4.16Å; F207-L295 HydrophobicContact CZ-CB 4.09Å; A208-L295 HydrophobicContact CB-CD1 3.92Å; V211-L295 HydrophobicContact CG1-CD2 4.47Å; T291-L295 HydrophobicContact CG2-CD1 4.2Å; T291-L295 WeakPolarHBondContact O-CG 3.43Å; T291-L295 PolarHBondContact O-N 3.12Å; V292-L295 PolarHBondContact O-N 2.98Å; L295-L299 WeakPolarHBondContact O-CB 3.25Å; L295-L299 PolarHBondContact O-N 2.69Å |
| 296 | L | 95.3 | Very high | 91 | Very high | 22 Ų | 22 | 40.1 Ų | 40.1 | 12% | 0.115 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.4 | -50.1 | 173 | -80.3 | 167.6 | 0 | 0 | 0 | 112.2 | F207 L259 L266 V292 Q293 Q298 L299 D300 | F207-L296 HydrophobicContact CE1-CG 4.29Å; F207-L296 HydrophobicContact CZ-CD2 4Å; F207-L296 HydrophobicContact CZ-CG 4Å; L259-L296 HydrophobicContact CD2-CD2 4.09Å; L266-L296 HydrophobicContact CB-CD1 4.19Å; L266-L296 HydrophobicContact CD2-CD1 3.82Å; V292-L296 HydrophobicContact CG1-CD1 4.22Å; V292-L296 PolarHBondContact O-N 3.44Å; Q293-L296 PolarHBondContact O-N 2.72Å; L296-Q298 VanDerWaalsContact C-N 3.29Å; L296-Q298 PolarHBondContact O-N 2.61Å; L296-L299 PolarHBondContact O-N 3.26Å; L296-L299 VanDerWaalsContact O-N 3.15Å; L296-D300 WeakPolarHBondContact O-CB 3.28Å; L296-D300 PolarHBondContact O-N 2.91Å |
| 297 | S | 93.4 | Very high | 91.1 | Very high | 52 Ų | 52 | 39.1 Ų | 39.1 | 36% | 0.364 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -57.5 | -43.7 | 176.4 | -166.8 | 0 | 0 | 0 | 0 | 111.4 | Q293 R294 L299 D300 E301 | Q293-S297 PolarHBondContact O-N 2.78Å; R294-S297 PolarHBondContact O-N 2.89Å; S297-L299 VanDerWaalsContact C-N 3.34Å; S297-L299 PolarHBondContact O-N 2.96Å; S297-D300 PolarHBondContact O-N 3.47Å; S297-E301 WeakPolarHBondContact O-CB 3.46Å; S297-E301 VanDerWaalsContact O-CG 3.25Å; S297-E301 WeakPolarHBondContact O-CG 3.39Å; S297-E301 PolarHBondContact O-N 2.91Å; S297-E301 PolarHBondContact OG-OE1 3.41Å |
| 298 | Q | 90.7 | Very high | 91.2 | Very high | 23 Ų | 23 | 41.7 Ų | 41.7 | 11% | 0.107 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.9 | -35.9 | 177.5 | -82.6 | -176.3 | -21.4 | 0 | 0 | 113.6 | V22 T25 R294 L296 T302 | V22-Q298 HydrophobicContact CG1-CB 4.49Å; V22-Q298 HydrophobicContact CG2-CB 3.81Å; V22-Q298 HydrophobicContact CG2-CG 4.12Å; T25-Q298 PolarHBondContact OG1-NE2 3.48Å; R294-Q298 WeakPolarHBondContact O-CB 3.32Å; R294-Q298 WeakPolarHBondContact O-CG 3.32Å; R294-Q298 PolarHBondContact O-N 3.06Å; L296-Q298 VanDerWaalsContact C-N 3.29Å; L296-Q298 PolarHBondContact O-N 2.61Å; Q298-T302 WeakPolarHBondContact O-CB 3.31Å; Q298-T302 PolarHBondContact O-N 3.37Å; Q298-T302 PolarHBondContact O-OG1 3.41Å |
| 299 | L | 91.6 | Very high | 91.1 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -72.3 | -44.1 | 177 | -177.1 | 59.4 | 0 | 0 | 0 | 111.5 | V211 T214 I255 A258 L259 L295 L296 S297 T302 E303 | V211-L299 HydrophobicContact CG2-CD2 4.34Å; T214-L299 HydrophobicContact CG2-CD1 4.31Å; I255-L299 HydrophobicContact CG2-CD1 4.11Å; I255-L299 HydrophobicContact CG2-CG 4.26Å; A258-L299 HydrophobicContact CB-CD2 3.59Å; L259-L299 HydrophobicContact CB-CD2 4.46Å; L259-L299 HydrophobicContact CD2-CB 4.11Å; L259-L299 HydrophobicContact CD2-CD2 3.71Å; L259-L299 HydrophobicContact CD2-CG 3.84Å; L259-L299 HydrophobicContact CG-CD2 3.67Å; L259-L299 HydrophobicContact CG-CG 4.01Å; L295-L299 WeakPolarHBondContact O-CB 3.25Å; L295-L299 PolarHBondContact O-N 2.69Å; L296-L299 PolarHBondContact O-N 3.26Å; L296-L299 VanDerWaalsContact O-N 3.15Å; S297-L299 VanDerWaalsContact C-N 3.34Å; S297-L299 PolarHBondContact O-N 2.96Å; L299-T302 WeakPolarHBondContact O-CB 3.44Å; L299-T302 PolarHBondContact O-N 3.3Å; L299-E303 WeakPolarHBondContact O-CB 3.45Å; L299-E303 PolarHBondContact O-N 3.3Å |
| 300 | D | 91.5 | Very high | 91.1 | Very high | 56 Ų | 56 | 40 Ų | 40 | 30% | 0.299 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64.6 | -41 | 175.9 | 168.3 | 50.8 | 0 | 0 | 0 | 112.7 | L259 L296 S297 T302 E303 R304 | L259-D300 HydrophobicContact CD2-CB 4.4Å; L296-D300 WeakPolarHBondContact O-CB 3.28Å; L296-D300 PolarHBondContact O-N 2.91Å; S297-D300 PolarHBondContact O-N 3.47Å; D300-T302 VanDerWaalsContact C-N 3.34Å; D300-E303 PolarHBondContact O-N 3.48Å; D300-R304 VanDerWaalsContact CG-CZ 3.48Å; D300-R304 VanDerWaalsContact CG-NH2 3.34Å; D300-R304 PolarHBondContact O-N 2.86Å; D300-R304 VanDerWaalsContact O-N 3.08Å; D300-R304 IonicContact OD1-CZ 2.67Å; D300-R304 IonicContact OD1-NH1 2.77Å; D300-R304 PolarHBondContact OD1-NH1 2.91Å; D300-R304 IonicContact OD1-NH2 3.23Å; D300-R304 IonicContact OD2-CZ 2.81Å; D300-R304 IonicContact OD2-NH1 2.72Å; D300-R304 PolarHBondContact OD2-NH1 3.43Å; D300-R304 IonicContact OD2-NH2 3.62Å; D300-R304 PolarHBondContact OD2-NH2 3.42Å |
| 301 | E | 89.6 | Confident | 91.1 | Very high | 78 Ų | 78 | 41.7 Ų | 41.7 | 36% | 0.364 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64.9 | -36.5 | 170.1 | -73.6 | 170.9 | -123.5 | 0 | 0 | 112.9 | S297 A305 | S297-E301 WeakPolarHBondContact O-CB 3.46Å; S297-E301 VanDerWaalsContact O-CG 3.25Å; S297-E301 WeakPolarHBondContact O-CG 3.39Å; S297-E301 PolarHBondContact O-N 2.91Å; S297-E301 PolarHBondContact OG-OE1 3.41Å; E301-A305 WeakPolarHBondContact O-CB 3.3Å; E301-A305 PolarHBondContact O-N 2.67Å; E301-A305 VanDerWaalsContact O-N 3.1Å |
| 302 | T | 87.6 | Confident | 90.8 | Very high | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.018 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.8 | -40.6 | 176.4 | -69.1 | 0 | 0 | 0 | 0 | 111.3 | L19 L218 Q298 L299 D300 A305 F306 | L19-T302 HydrophobicContact CD2-CG2 3.42Å; L19-T302 VanDerWaalsContact CD2-CG2 3.42Å; L19-T302 HydrophobicContact CG-CG2 4.37Å; L218-T302 HydrophobicContact CD1-CG2 3.5Å; L218-T302 VanDerWaalsContact CD1-CG2 3.5Å; Q298-T302 WeakPolarHBondContact O-CB 3.31Å; Q298-T302 PolarHBondContact O-N 3.37Å; Q298-T302 PolarHBondContact O-OG1 3.41Å; L299-T302 WeakPolarHBondContact O-CB 3.44Å; L299-T302 PolarHBondContact O-N 3.3Å; D300-T302 VanDerWaalsContact C-N 3.34Å; T302-A305 PolarHBondContact O-N 3.47Å; T302-F306 WeakPolarHBondContact O-CB 3.48Å; T302-F306 PolarHBondContact O-N 2.91Å |
| 303 | E | 90.6 | Very high | 90.5 | Very high | 24 Ų | 24 | 44.4 Ų | 44.4 | 11% | 0.112 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.8 | -51.6 | 175.6 | -172.6 | -178.9 | -172.2 | 0 | 0 | 111.3 | K252 I255 L259 L299 D300 A305 F306 D307 | K252-E303 HydrophobicContact CD-CG 4.48Å; K252-E303 WeakPolarHBondContact CE-OE1 3.45Å; K252-E303 VanDerWaalsContact NZ-CG 3.33Å; K252-E303 IonicContact NZ-OE1 3.76Å; K252-E303 PolarHBondContact NZ-OE1 3.47Å; I255-E303 HydrophobicContact CD1-CG 4.37Å; I255-E303 HydrophobicContact CG2-CB 3.99Å; I255-E303 HydrophobicContact CG2-CG 3.94Å; L259-E303 VanDerWaalsContact CD1-OE2 3.3Å; L259-E303 WeakPolarHBondContact CD1-OE2 3.3Å; L299-E303 WeakPolarHBondContact O-CB 3.45Å; L299-E303 PolarHBondContact O-N 3.3Å; D300-E303 PolarHBondContact O-N 3.48Å; E303-A305 VanDerWaalsContact C-N 3.3Å; E303-A305 PolarHBondContact O-N 3.01Å; E303-F306 PolarHBondContact O-N 2.78Å; E303-F306 VanDerWaalsContact O-N 3.1Å; E303-D307 PolarHBondContact O-N 3.08Å |
| 304 | R | 90.3 | Very high | 90.3 | Very high | 128 Ų | 128 | 42.3 Ų | 42.3 | 48% | 0.483 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -56.2 | -44.4 | 175.8 | -76 | -172.1 | -72.7 | -95.7 | -3 | 112.2 | D300 F306 D307 E308 | D300-R304 VanDerWaalsContact CG-CZ 3.48Å; D300-R304 VanDerWaalsContact CG-NH2 3.34Å; D300-R304 PolarHBondContact O-N 2.86Å; D300-R304 VanDerWaalsContact O-N 3.08Å; D300-R304 IonicContact OD1-CZ 2.67Å; D300-R304 IonicContact OD1-NH1 2.77Å; D300-R304 PolarHBondContact OD1-NH1 2.91Å; D300-R304 IonicContact OD1-NH2 3.23Å; D300-R304 IonicContact OD2-CZ 2.81Å; D300-R304 IonicContact OD2-NH1 2.72Å; D300-R304 PolarHBondContact OD2-NH1 3.43Å; D300-R304 IonicContact OD2-NH2 3.62Å; D300-R304 PolarHBondContact OD2-NH2 3.42Å; R304-F306 VanDerWaalsContact C-N 3.3Å; R304-F306 PolarHBondContact O-N 2.81Å; R304-D307 PolarHBondContact O-N 2.97Å; R304-E308 WeakPolarHBondContact O-CB 3.19Å; R304-E308 PolarHBondContact O-N 2.91Å |
| 305 | A | 87.8 | Confident | 90.2 | Very high | 6 Ų | 6 | 39.9 Ų | 39.9 | 5% | 0.05 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.7 | -36 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L15 E301 T302 E303 F309 | L15-A305 HydrophobicContact CD1-CB 3.97Å; E301-A305 WeakPolarHBondContact O-CB 3.3Å; E301-A305 PolarHBondContact O-N 2.67Å; E301-A305 VanDerWaalsContact O-N 3.1Å; T302-A305 PolarHBondContact O-N 3.47Å; E303-A305 VanDerWaalsContact C-N 3.3Å; E303-A305 PolarHBondContact O-N 3.01Å; A305-F309 WeakPolarHBondContact O-CB 3.5Å; A305-F309 PolarHBondContact O-N 2.92Å |
| 306 | F | 89.5 | Confident | 89.8 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -71.6 | -44.7 | 177.6 | 174.8 | -113.8 | 0 | 0 | 0 | 112.1 | L15 L218 F221 R248 M251 I255 T302 E303 R304 E308 F309 W310 | L15-F306 HydrophobicContact CD1-CB 4.11Å; L15-F306 HydrophobicContact CD2-CD2 4.18Å; L218-F306 HydrophobicContact CD2-CB 4.02Å; L218-F306 HydrophobicContact CD2-CD1 3.85Å; L218-F306 HydrophobicContact CD2-CD2 3.45Å; L218-F306 VanDerWaalsContact CD2-CD2 3.45Å; L218-F306 HydrophobicContact CD2-CE1 4.13Å; L218-F306 HydrophobicContact CD2-CE2 3.78Å; L218-F306 HydrophobicContact CD2-CG 3.48Å; L218-F306 VanDerWaalsContact CD2-CG 3.48Å; L218-F306 HydrophobicContact CD2-CZ 4.1Å; F221-F306 AromaticContact CD1-CE2 3.91Å; F221-F306 HydrophobicContact CD1-CE2 3.91Å; F221-F306 AromaticContact CD1-CZ 3.97Å; F221-F306 HydrophobicContact CD1-CZ 3.97Å; F221-F306 HydrophobicContact CE1-CE2 4.11Å; F221-F306 AromaticContact CE1-CZ 3.89Å; F221-F306 HydrophobicContact CE1-CZ 3.89Å; R248-F306 HydrophobicContact CB-CZ 4.34Å; R248-F306 HydrophobicContact CG-CE1 4.05Å; R248-F306 HydrophobicContact CG-CZ 4.04Å; M251-F306 HydrophobicContact CB-CE1 4.3Å; M251-F306 HydrophobicContact CB-CZ 4.32Å; M251-F306 HydrophobicContact CG-CE1 4.27Å; M251-F306 HydrophobicContact CG-CZ 4.29Å; I255-F306 HydrophobicContact CD1-CD1 4.4Å; T302-F306 WeakPolarHBondContact O-CB 3.48Å; T302-F306 PolarHBondContact O-N 2.91Å; E303-F306 PolarHBondContact O-N 2.78Å; E303-F306 VanDerWaalsContact O-N 3.1Å; R304-F306 VanDerWaalsContact C-N 3.3Å; R304-F306 PolarHBondContact O-N 2.81Å; F306-E308 VanDerWaalsContact C-N 3.35Å; F306-E308 PolarHBondContact O-N 3.13Å; F306-F309 PolarHBondContact O-N 3.21Å; F306-W310 VanDerWaalsContact O-CB 3.25Å; F306-W310 WeakPolarHBondContact O-CB 3.38Å; F306-W310 PolarHBondContact O-N 3.47Å |
| 307 | D | 90.4 | Very high | 89.4 | Confident | 59 Ų | 59 | 39.7 Ų | 39.7 | 32% | 0.316 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59.4 | -45.8 | 174.3 | -76.9 | 5.7 | 0 | 0 | 0 | 111.3 | K252 E303 R304 F309 W310 V311 | K252-D307 IonicContact NZ-OD1 2.66Å; K252-D307 PolarHBondContact NZ-OD1 3.26Å; K252-D307 IonicContact NZ-OD2 2.71Å; K252-D307 PolarHBondContact NZ-OD2 3.18Å; E303-D307 PolarHBondContact O-N 3.08Å; R304-D307 PolarHBondContact O-N 2.97Å; D307-F309 PolarHBondContact O-N 3.3Å; D307-W310 PolarHBondContact O-N 2.81Å; D307-V311 WeakPolarHBondContact O-CG2 3.47Å; D307-V311 PolarHBondContact O-N 3.49Å |
| 308 | E | 87.8 | Confident | 89.3 | Confident | 104 Ų | 104 | 40.4 Ų | 40.4 | 49% | 0.486 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.6 | -41.3 | 177.1 | -97.3 | -143.5 | -129.5 | 0 | 0 | 112.9 | R304 F306 R312 | R304-E308 WeakPolarHBondContact O-CB 3.19Å; R304-E308 PolarHBondContact O-N 2.91Å; F306-E308 VanDerWaalsContact C-N 3.35Å; F306-E308 PolarHBondContact O-N 3.13Å; E308-R312 VanDerWaalsContact C-NH1 3.26Å; E308-R312 WeakPolarHBondContact O-CG 3.42Å; E308-R312 PolarHBondContact O-NH1 2.78Å; E308-R312 IonicContact OE2-CZ 2.98Å; E308-R312 IonicContact OE2-NH1 3.14Å; E308-R312 PolarHBondContact OE2-NH1 3.19Å; E308-R312 IonicContact OE2-NH2 3.72Å; E308-R312 PolarHBondContact OE2-NH2 3.31Å |
| 309 | F | 88.3 | Confident | 89.4 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.3 | -43.8 | 172.6 | 165.1 | -113.9 | 0 | 0 | 0 | 111.3 | E8 A11 L12 L15 L225 A305 F306 D307 V311 R312 H313 | E8-F309 HydrophobicContact CG-CE2 3.99Å; A11-F309 HydrophobicContact CB-CB 4.24Å; A11-F309 HydrophobicContact CB-CD2 4.44Å; L12-F309 HydrophobicContact CB-CD2 3.92Å; L12-F309 HydrophobicContact CB-CE2 3.76Å; L12-F309 HydrophobicContact CD1-CE1 4.32Å; L12-F309 HydrophobicContact CD1-CE2 3.97Å; L12-F309 HydrophobicContact CD1-CZ 3.85Å; L12-F309 HydrophobicContact CG-CE2 4.4Å; L15-F309 HydrophobicContact CD2-CB 4.04Å; L15-F309 HydrophobicContact CD2-CD1 3.58Å; L15-F309 HydrophobicContact CD2-CE1 4.33Å; L15-F309 HydrophobicContact CD2-CG 3.99Å; L225-F309 HydrophobicContact CB-CE1 4.02Å; L225-F309 HydrophobicContact CB-CZ 3.87Å; L225-F309 HydrophobicContact CD1-CE1 3.69Å; L225-F309 HydrophobicContact CD1-CZ 4.31Å; L225-F309 HydrophobicContact CG-CE1 4.49Å; A305-F309 WeakPolarHBondContact O-CB 3.5Å; A305-F309 PolarHBondContact O-N 2.92Å; F306-F309 PolarHBondContact O-N 3.21Å; D307-F309 PolarHBondContact O-N 3.3Å; F309-V311 PolarHBondContact O-N 2.95Å; F309-R312 WeakPolarHBondContact O-CB 3.42Å; F309-R312 PolarHBondContact O-N 3.49Å; F309-H313 HydrophobicContact CE2-CB 4.41Å; F309-H313 HydrophobicContact CZ-CB 4.32Å; F309-H313 PolarHBondContact O-N 3.48Å |
| 310 | W | 90.8 | Very high | 89.3 | Confident | 7 Ų | 7 | 40.2 Ų | 40.2 | 3% | 0.027 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.3 | -46.4 | -176.6 | 172.5 | -95.3 | 0 | 0 | 0 | 112.5 | F221 L225 H244 R248 F306 D307 R312 H313 Q314 | F221-W310 HydrophobicContact CZ-CZ3 4.37Å; L225-W310 HydrophobicContact CD1-CE3 3.94Å; L225-W310 HydrophobicContact CD1-CZ3 4.01Å; L225-W310 HydrophobicContact CD2-CZ3 4.28Å; H244-W310 VanDerWaalsContact C-CH2 3.49Å; H244-W310 HydrophobicContact CB-CH2 3.73Å; H244-W310 HydrophobicContact CB-CZ3 3.96Å; R248-W310 HydrophobicContact CB-CD2 4.05Å; R248-W310 HydrophobicContact CB-CE3 3.94Å; R248-W310 HydrophobicContact CB-CH2 4.19Å; R248-W310 HydrophobicContact CB-CZ2 4.29Å; R248-W310 HydrophobicContact CB-CZ3 4.01Å; R248-W310 HydrophobicContact CG-CD2 3.56Å; R248-W310 HydrophobicContact CG-CE3 3.92Å; R248-W310 HydrophobicContact CG-CG 3.8Å; R248-W310 HydrophobicContact CG-CZ2 4.36Å; R248-W310 HydrophobicContact CG-CZ3 4.45Å; F306-W310 VanDerWaalsContact O-CB 3.25Å; F306-W310 WeakPolarHBondContact O-CB 3.38Å; F306-W310 PolarHBondContact O-N 3.47Å; D307-W310 PolarHBondContact O-N 2.81Å; W310-R312 PolarHBondContact O-N 2.76Å; W310-H313 CarbonylContact O-C 3.57Å; W310-H313 PolarHBondContact O-N 3.47Å; W310-Q314 HydrophobicContact CZ2-CB 3.91Å; W310-Q314 HydrophobicContact CZ2-CG 4.14Å; W310-Q314 WeakPolarHBondContact O-CB 3.46Å; W310-Q314 PolarHBondContact O-N 3.06Å |
| 311 | V | 90.3 | Very high | 89.3 | Confident | 90 Ų | 90 | 38.8 Ų | 38.8 | 55% | 0.545 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -56.1 | -42 | 178.4 | 170.6 | 0 | 0 | 0 | 0 | 110.6 | D307 F309 T315 | D307-V311 WeakPolarHBondContact O-CG2 3.47Å; D307-V311 PolarHBondContact O-N 3.49Å; F309-V311 PolarHBondContact O-N 2.95Å; V311-T315 PolarHBondContact O-N 3.48Å; V311-T315 PolarHBondContact O-OG1 2.95Å |
| 312 | R | 85.8 | Confident | 89.6 | Confident | 82 Ų | 82 | 39 Ų | 39 | 31% | 0.309 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -66.6 | -39.6 | 176.3 | -61.7 | 173.8 | -179.8 | 108.1 | -7.4 | 111.6 | W4 E308 F309 W310 | W4-R312 WeakPolarHBondContact CH2-O 3.25Å; E308-R312 VanDerWaalsContact C-NH1 3.26Å; E308-R312 WeakPolarHBondContact O-CG 3.42Å; E308-R312 PolarHBondContact O-NH1 2.78Å; E308-R312 IonicContact OE2-CZ 2.98Å; E308-R312 IonicContact OE2-NH1 3.14Å; E308-R312 PolarHBondContact OE2-NH1 3.19Å; E308-R312 IonicContact OE2-NH2 3.72Å; E308-R312 PolarHBondContact OE2-NH2 3.31Å; F309-R312 WeakPolarHBondContact O-CB 3.42Å; F309-R312 PolarHBondContact O-N 3.49Å; W310-R312 PolarHBondContact O-N 2.76Å |
| 313 | H | 87.8 | Confident | 89.8 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -71 | -39.2 | 177.1 | -172.1 | 77.2 | 0 | 0 | 0 | 113.5 | E8 L225 H244 F309 W310 K316 L317 | E8-H313 IonicContact OE1-CE1 2.66Å; E8-H313 IonicContact OE1-CG 2.93Å; E8-H313 IonicContact OE1-ND1 2.73Å; E8-H313 PolarHBondContact OE1-ND1 3.44Å; L225-H313 PolarHBondContact O-CE1 3.1Å; H244-H313 AromaticContact CE1-NE2 3.89Å; H244-H313 AromaticContact ND1-NE2 3.29Å; H244-H313 PolarHBondContact ND1-NE2 3.41Å; F309-H313 HydrophobicContact CE2-CB 4.41Å; F309-H313 HydrophobicContact CZ-CB 4.32Å; F309-H313 PolarHBondContact O-N 3.48Å; W310-H313 CarbonylContact O-C 3.57Å; W310-H313 PolarHBondContact O-N 3.47Å; H313-K316 WeakPolarHBondContact O-CB 3.34Å; H313-K316 PolarHBondContact O-N 2.92Å; H313-L317 PolarHBondContact O-N 3.1Å |
| 314 | Q | 90.6 | Very high | 90 | Very high | 54 Ų | 54 | 39.8 Ų | 39.8 | 25% | 0.252 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.1 | -49.6 | 178.8 | -176.9 | 178.2 | -29.7 | 0 | 0 | 110.7 | L241 W310 K316 L317 E318 | L241-Q314 HydrophobicContact CD1-CG 4.24Å; W310-Q314 HydrophobicContact CZ2-CB 3.91Å; W310-Q314 HydrophobicContact CZ2-CG 4.14Å; W310-Q314 WeakPolarHBondContact O-CB 3.46Å; W310-Q314 PolarHBondContact O-N 3.06Å; Q314-K316 PolarHBondContact O-N 2.95Å; Q314-K316 VanDerWaalsContact O-N 3.08Å; Q314-L317 PolarHBondContact O-N 2.76Å; Q314-L317 VanDerWaalsContact O-N 3.09Å; Q314-E318 HydrophobicContact CG-CG 4.38Å; Q314-E318 WeakPolarHBondContact CG-OE1 3.48Å; Q314-E318 PolarHBondContact NE2-OE1 2.65Å; Q314-E318 WeakPolarHBondContact O-CG 3.44Å; Q314-E318 PolarHBondContact O-N 2.93Å |
| 315 | T | 89.4 | Confident | 90.2 | Very high | 46 Ų | 46 | 37.1 Ų | 37.1 | 28% | 0.282 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -57.6 | -27.5 | 177.7 | -52.8 | 0 | 0 | 0 | 0 | 112.7 | W4 V311 Q319 | W4-T315 HydrophobicContact CH2-CG2 4.48Å; W4-T315 HydrophobicContact CZ2-CG2 3.76Å; V311-T315 PolarHBondContact O-N 3.48Å; V311-T315 PolarHBondContact O-OG1 2.95Å; T315-Q319 HydrophobicContact CG2-CG 4.35Å; T315-Q319 WeakPolarHBondContact O-CB 3.25Å; T315-Q319 WeakPolarHBondContact O-CG 3.46Å; T315-Q319 PolarHBondContact O-N 2.91Å |
| 316 | K | 86.1 | Confident | 90.6 | Very high | 18 Ų | 18 | 36.9 Ų | 36.9 | 8% | 0.078 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.2 | -45.6 | 177.8 | -174.7 | 175.1 | 158.6 | -174.5 | 0 | 111.7 | W4 E8 L230 H313 Q314 C320 | W4-K316 VanDerWaalsContact CH2-CA 3.43Å; W4-K316 HydrophobicContact CH2-CB 3.51Å; W4-K316 HydrophobicContact CH2-CG 4.27Å; W4-K316 HydrophobicContact CZ3-CB 3.52Å; W4-K316 HydrophobicContact CZ3-CD 4.16Å; W4-K316 HydrophobicContact CZ3-CG 3.76Å; E8-K316 VanDerWaalsContact CD-CD 3.44Å; E8-K316 WeakPolarHBondContact OE1-CD 3.34Å; E8-K316 IonicContact OE1-NZ 2.83Å; E8-K316 PolarHBondContact OE1-NZ 3Å; E8-K316 WeakPolarHBondContact OE2-CD 3.35Å; E8-K316 WeakPolarHBondContact OE2-CE 3.38Å; E8-K316 IonicContact OE2-NZ 3.03Å; E8-K316 PolarHBondContact OE2-NZ 3.45Å; L230-K316 HydrophobicContact CD2-CG 4Å; H313-K316 WeakPolarHBondContact O-CB 3.34Å; H313-K316 PolarHBondContact O-N 2.92Å; Q314-K316 PolarHBondContact O-N 2.95Å; Q314-K316 VanDerWaalsContact O-N 3.08Å; K316-C320 VanDerWaalsContact O-CB 3.27Å; K316-C320 WeakPolarHBondContact O-CB 3.43Å; K316-C320 PolarHBondContact O-N 3.17Å |
| 317 | L | 88.1 | Confident | 90.8 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -73.6 | -36 | 179.6 | -68.5 | 176.9 | 0 | 0 | 0 | 110.9 | L230 L240 L241 H244 H313 Q314 C320 L321 | L230-L317 HydrophobicContact CD2-CD2 3.86Å; L240-L317 HydrophobicContact CD2-CD2 3.81Å; L240-L317 HydrophobicContact CG-CD2 4.42Å; L241-L317 HydrophobicContact CB-CB 4.37Å; L241-L317 HydrophobicContact CD1-CB 3.97Å; L241-L317 HydrophobicContact CD1-CD1 4.25Å; H244-L317 HydrophobicContact CB-CD1 4.46Å; H313-L317 PolarHBondContact O-N 3.1Å; Q314-L317 PolarHBondContact O-N 2.76Å; Q314-L317 VanDerWaalsContact O-N 3.09Å; L317-C320 WeakPolarHBondContact O-CB 3.28Å; L317-C320 PolarHBondContact O-N 2.71Å; L317-L321 WeakPolarHBondContact O-CB 3.41Å; L317-L321 PolarHBondContact O-N 3.08Å |
| 318 | E | 91.6 | Very high | 91 | Very high | 67 Ų | 67 | 39.9 Ų | 39.9 | 31% | 0.313 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.5 | -48.4 | 173.3 | -70 | 170.9 | 168.6 | 0 | 0 | 112.1 | L241 Q314 C320 L321 Q322 | L241-E318 HydrophobicContact CD2-CG 3.98Å; Q314-E318 HydrophobicContact CG-CG 4.38Å; Q314-E318 WeakPolarHBondContact CG-OE1 3.48Å; Q314-E318 PolarHBondContact NE2-OE1 2.65Å; Q314-E318 WeakPolarHBondContact O-CG 3.44Å; Q314-E318 PolarHBondContact O-N 2.93Å; E318-C320 VanDerWaalsContact C-N 3.31Å; E318-C320 PolarHBondContact O-N 3.04Å; E318-L321 WeakPolarHBondContact O-CB 3.25Å; E318-L321 PolarHBondContact O-N 3.23Å; E318-Q322 WeakPolarHBondContact O-CG 3.41Å; E318-Q322 PolarHBondContact O-N 3.31Å |
| 319 | Q | 91.4 | Very high | 91.4 | Very high | 21 Ų | 21 | 37.2 Ų | 37.2 | 10% | 0.098 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.2 | -38.1 | 172.6 | -73.5 | -167.9 | 6.4 | 0 | 0 | 111.4 | T315 L321 Q322 L323 H393 Y394 | T315-Q319 HydrophobicContact CG2-CG 4.35Å; T315-Q319 WeakPolarHBondContact O-CB 3.25Å; T315-Q319 WeakPolarHBondContact O-CG 3.46Å; T315-Q319 PolarHBondContact O-N 2.91Å; Q319-L321 VanDerWaalsContact C-N 3.3Å; Q319-L321 PolarHBondContact O-N 3.38Å; Q319-Q322 PolarHBondContact O-N 3.39Å; Q319-L323 PolarHBondContact O-N 2.96Å; Q319-H393 PolarHBondContact O-NE2 3.42Å; Q319-Y394 HydrophobicContact CB-CD1 3.62Å; Q319-Y394 HydrophobicContact CB-CE1 3.74Å |
| 320 | C | 90.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.1 | -45.4 | 173.7 | -177.2 | 0 | 0 | 0 | 0 | 111.1 | L230 T237 K316 L317 E318 L323 R324 Y394 | L230-C320 HydrophobicContact CD1-CB 4.19Å; L230-C320 HydrophobicContact CD2-CB 3.58Å; L230-C320 HydrophobicContact CG-CB 4.32Å; T237-C320 HydrophobicContact CG2-CB 4.23Å; K316-C320 VanDerWaalsContact O-CB 3.27Å; K316-C320 WeakPolarHBondContact O-CB 3.43Å; K316-C320 PolarHBondContact O-N 3.17Å; L317-C320 WeakPolarHBondContact O-CB 3.28Å; L317-C320 PolarHBondContact O-N 2.71Å; E318-C320 VanDerWaalsContact C-N 3.31Å; E318-C320 PolarHBondContact O-N 3.04Å; C320-L323 WeakPolarHBondContact O-CB 3.22Å; C320-L323 PolarHBondContact O-N 3.22Å; C320-R324 WeakPolarHBondContact O-CG 3.43Å; C320-R324 PolarHBondContact O-N 3Å; C320-Y394 HydrophobicContact CB-CE1 4.45Å |
| 321 | L | 91.8 | Very high | 92.1 | Very high | 27 Ų | 27 | 45.5 Ų | 45.5 | 14% | 0.141 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.4 | -40.3 | 178.9 | -172.4 | 58.9 | 0 | 0 | 0 | 112.1 | I234 T237 T238 L241 L317 E318 Q319 R324 H325 | I234-L321 HydrophobicContact CG2-CD1 4.11Å; T237-L321 HydrophobicContact CG2-CB 3.85Å; T237-L321 HydrophobicContact CG2-CD1 4.12Å; T238-L321 WeakPolarHBondContact OG1-CD1 3.1Å; L241-L321 HydrophobicContact CD2-CD2 4.4Å; L317-L321 WeakPolarHBondContact O-CB 3.41Å; L317-L321 PolarHBondContact O-N 3.08Å; E318-L321 WeakPolarHBondContact O-CB 3.25Å; E318-L321 PolarHBondContact O-N 3.23Å; Q319-L321 VanDerWaalsContact C-N 3.3Å; Q319-L321 PolarHBondContact O-N 3.38Å; L321-R324 PolarHBondContact O-N 3.24Å; L321-H325 PolarHBondContact O-N 3.07Å; L321-H325 PolarHBondContact O-ND1 2.84Å |
| 322 | Q | 94.3 | Very high | 92.4 | Very high | 83 Ų | 83 | 45.1 Ų | 45.1 | 39% | 0.388 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -57.7 | -48.8 | 171.9 | -71.6 | 165 | 4.6 | 0 | 0 | 110.8 | E318 Q319 R324 H325 F326 L388 | E318-Q322 WeakPolarHBondContact O-CG 3.41Å; E318-Q322 PolarHBondContact O-N 3.31Å; Q319-Q322 PolarHBondContact O-N 3.39Å; Q322-R324 VanDerWaalsContact C-N 3.34Å; Q322-R324 PolarHBondContact O-N 3.07Å; Q322-H325 PolarHBondContact O-N 3.24Å; Q322-F326 WeakPolarHBondContact O-CB 3.48Å; Q322-F326 PolarHBondContact O-N 3.22Å; Q322-L388 HydrophobicContact CB-CD2 4.03Å; Q322-L388 HydrophobicContact CG-CD2 4.31Å |
| 323 | L | 93.6 | Very high | 92.9 | Very high | 7 Ų | 7 | 41.4 Ų | 41.4 | 4% | 0.037 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.3 | -38.5 | 175.1 | -175.7 | 65.4 | 0 | 0 | 0 | 112.9 | Q319 C320 H325 F326 E327 Y394 A395 I399 | Q319-L323 PolarHBondContact O-N 2.96Å; C320-L323 WeakPolarHBondContact O-CB 3.22Å; C320-L323 PolarHBondContact O-N 3.22Å; L323-H325 VanDerWaalsContact C-N 3.35Å; L323-F326 PolarHBondContact O-N 3.46Å; L323-E327 HydrophobicContact CD1-CG 3.96Å; L323-E327 HydrophobicContact CG-CG 4.29Å; L323-E327 WeakPolarHBondContact O-CB 3.3Å; L323-E327 WeakPolarHBondContact O-CG 3.46Å; L323-E327 PolarHBondContact O-N 3.49Å; L323-Y394 HydrophobicContact CD2-CE2 4.38Å; L323-Y394 WeakPolarHBondContact CD2-OH 3.41Å; L323-A395 HydrophobicContact CD1-CB 4Å; L323-A395 HydrophobicContact CD2-CB 3.6Å; L323-A395 HydrophobicContact CG-CB 4.37Å; L323-I399 HydrophobicContact CD1-CD1 4.08Å; L323-I399 HydrophobicContact CD1-CG1 3.75Å |
| 324 | R | 93.5 | Very high | 93.4 | Very high | 35 Ų | 35 | 43.5 Ų | 43.5 | 13% | 0.132 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.3 | -40 | 176.8 | -66.8 | -51.7 | 94.9 | -142.9 | -3.4 | 111.7 | P231 N232 I234 C320 L321 Q322 E327 H328 | P231-R324 WeakPolarHBondContact O-CD 3.35Å; N232-R324 WeakPolarHBondContact O-CD 3.32Å; N232-R324 PolarHBondContact O-NH1 3.37Å; I234-R324 HydrophobicContact CG1-CB 3.73Å; C320-R324 WeakPolarHBondContact O-CG 3.43Å; C320-R324 PolarHBondContact O-N 3Å; L321-R324 PolarHBondContact O-N 3.24Å; Q322-R324 VanDerWaalsContact C-N 3.34Å; Q322-R324 PolarHBondContact O-N 3.07Å; R324-E327 IonicContact CZ-OE2 2.98Å; R324-E327 IonicContact NH1-OE2 2.71Å; R324-E327 PolarHBondContact NH1-OE2 3.22Å; R324-E327 IonicContact NH2-OE2 2.72Å; R324-E327 PolarHBondContact NH2-OE2 2.9Å; R324-H328 WeakPolarHBondContact O-CB 3.46Å; R324-H328 PolarHBondContact O-N 2.88Å; R324-H328 VanDerWaalsContact O-N 3.15Å |
| 325 | H | 94.6 | Very high | 93.6 | Very high | 73 Ų | 73 | 42.3 Ų | 42.3 | 34% | 0.338 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -67.1 | -51.1 | 174.4 | -73.1 | 90.3 | 0 | 0 | 0 | 111.2 | I234 L321 Q322 L323 E327 H328 N329 | I234-H325 WeakPolarHBondContact CG2-NE2 3.33Å; L321-H325 PolarHBondContact O-N 3.07Å; L321-H325 PolarHBondContact O-ND1 2.84Å; Q322-H325 PolarHBondContact O-N 3.24Å; L323-H325 VanDerWaalsContact C-N 3.35Å; H325-E327 VanDerWaalsContact C-N 3.34Å; H325-E327 PolarHBondContact O-N 3.03Å; H325-H328 WeakPolarHBondContact O-CA 3.43Å; H325-H328 WeakPolarHBondContact O-CB 3.44Å; H325-H328 PolarHBondContact O-N 3.4Å; H325-N329 VanDerWaalsContact O-CG 3.26Å; H325-N329 PolarHBondContact O-N 3.32Å; H325-N329 PolarHBondContact O-OD1 3.27Å |
| 326 | F | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55.7 | -45.6 | 177.3 | 178.8 | -95.5 | 0 | 0 | 0 | 112.2 | Q322 L323 H328 Y330 L381 L388 I399 K402 | Q322-F326 WeakPolarHBondContact O-CB 3.48Å; Q322-F326 PolarHBondContact O-N 3.22Å; L323-F326 PolarHBondContact O-N 3.46Å; F326-H328 VanDerWaalsContact C-N 3.27Å; F326-H328 PolarHBondContact O-N 3.11Å; F326-Y330 WeakPolarHBondContact O-CB 3.24Å; F326-Y330 PolarHBondContact O-N 2.88Å; F326-L381 HydrophobicContact CD2-CD1 3.62Å; F326-L381 HydrophobicContact CD2-CG 4.42Å; F326-L381 HydrophobicContact CE2-CD1 3.8Å; F326-L381 HydrophobicContact CE2-CG 4.12Å; F326-L388 HydrophobicContact CB-CD1 4.33Å; F326-I399 HydrophobicContact CD1-CG1 4.13Å; F326-I399 HydrophobicContact CD1-CG2 4.39Å; F326-I399 HydrophobicContact CE1-CB 4.21Å; F326-I399 HydrophobicContact CE1-CG1 4.17Å; F326-I399 HydrophobicContact CE1-CG2 3.85Å; F326-I399 HydrophobicContact CE2-CG2 4.31Å; F326-I399 HydrophobicContact CZ-CG2 3.81Å; F326-K402 HydrophobicContact CE1-CB 3.93Å; F326-K402 HydrophobicContact CE1-CD 4.04Å; F326-K402 HydrophobicContact CZ-CB 4.18Å |
| 327 | E | 94.5 | Very high | 94.5 | Very high | 31 Ų | 31 | 41.9 Ų | 41.9 | 15% | 0.145 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -73.7 | -11.5 | 177.4 | -68.8 | -173.4 | 156.7 | 0 | 0 | 114.1 | L323 R324 H325 R331 S398 K402 | L323-E327 HydrophobicContact CD1-CG 3.96Å; L323-E327 HydrophobicContact CG-CG 4.29Å; L323-E327 WeakPolarHBondContact O-CB 3.3Å; L323-E327 WeakPolarHBondContact O-CG 3.46Å; L323-E327 PolarHBondContact O-N 3.49Å; R324-E327 IonicContact CZ-OE2 2.98Å; R324-E327 IonicContact NH1-OE2 2.71Å; R324-E327 PolarHBondContact NH1-OE2 3.22Å; R324-E327 IonicContact NH2-OE2 2.72Å; R324-E327 PolarHBondContact NH2-OE2 2.9Å; H325-E327 VanDerWaalsContact C-N 3.34Å; H325-E327 PolarHBondContact O-N 3.03Å; E327-R331 PolarHBondContact O-NE 2.98Å; E327-R331 PolarHBondContact O-NH2 3.11Å; E327-S398 PolarHBondContact OE1-OG 3.3Å; E327-S398 VanDerWaalsContact OE1-OG 3.05Å; E327-K402 HydrophobicContact CG-CD 4.34Å; E327-K402 IonicContact OE1-NZ 3.5Å; E327-K402 PolarHBondContact OE1-NZ 3.41Å |
| 328 | H | 94.3 | Very high | 94.8 | Very high | 92 Ų | 92 | 45 Ų | 45 | 43% | 0.426 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -84.8 | -55.1 | 168.2 | 179 | 68.4 | 0 | 0 | 0 | 110.8 | I234 R324 H325 F326 Y330 R331 E332 | I234-H328 HydrophobicContact CD1-CB 3.76Å; R324-H328 WeakPolarHBondContact O-CB 3.46Å; R324-H328 PolarHBondContact O-N 2.88Å; R324-H328 VanDerWaalsContact O-N 3.15Å; H325-H328 WeakPolarHBondContact O-CA 3.43Å; H325-H328 WeakPolarHBondContact O-CB 3.44Å; H325-H328 PolarHBondContact O-N 3.4Å; F326-H328 VanDerWaalsContact C-N 3.27Å; F326-H328 PolarHBondContact O-N 3.11Å; H328-Y330 PolarHBondContact O-N 2.75Å; H328-R331 PolarHBondContact O-N 3.1Å; H328-E332 PolarHBondContact O-N 3.02Å; H328-E332 VanDerWaalsContact O-N 3.11Å |
| 329 | N | 95.9 | Very high | 95 | Very high | 47 Ų | 47 | 46.7 Ų | 46.7 | 25% | 0.251 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -53.7 | -40.2 | 176.1 | -61.5 | -3.9 | 0 | 0 | 0 | 110.8 | H325 R331 E332 V333 L381 | H325-N329 VanDerWaalsContact O-CG 3.26Å; H325-N329 PolarHBondContact O-N 3.32Å; H325-N329 PolarHBondContact O-OD1 3.27Å; N329-R331 PolarHBondContact O-N 3.1Å; N329-E332 PolarHBondContact O-N 3.35Å; N329-V333 WeakPolarHBondContact O-CB 3.42Å; N329-V333 WeakPolarHBondContact O-CG2 3.4Å; N329-V333 PolarHBondContact O-N 3.04Å; N329-L381 VanDerWaalsContact C-CD2 3.47Å; N329-L381 HydrophobicContact CB-CD1 3.71Å; N329-L381 HydrophobicContact CB-CD2 3.85Å; N329-L381 HydrophobicContact CB-CG 4.45Å |
| 330 | Y | 97.2 | Very high | 95.3 | Very high | 22 Ų | 22 | 46.8 Ų | 46.8 | 9% | 0.086 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.1 | -49.9 | 175.4 | 175.9 | -99.8 | 0 | 0 | 0 | 112.2 | F326 H328 E332 R334 K402 E405 L406 | F326-Y330 WeakPolarHBondContact O-CB 3.24Å; F326-Y330 PolarHBondContact O-N 2.88Å; H328-Y330 PolarHBondContact O-N 2.75Å; Y330-E332 PolarHBondContact O-N 3.08Å; Y330-R334 HydrophobicContact CE1-CB 4.48Å; Y330-R334 HydrophobicContact CE1-CG 4.49Å; Y330-R334 WeakPolarHBondContact O-CB 3.48Å; Y330-R334 PolarHBondContact O-N 3.48Å; Y330-K402 HydrophobicContact CD1-CD 3.83Å; Y330-K402 HydrophobicContact CD1-CG 4.36Å; Y330-K402 HydrophobicContact CD2-CB 3.75Å; Y330-K402 HydrophobicContact CD2-CD 4.21Å; Y330-K402 HydrophobicContact CD2-CG 4.23Å; Y330-K402 HydrophobicContact CE1-CD 4.09Å; Y330-K402 HydrophobicContact CE1-CG 4.18Å; Y330-K402 HydrophobicContact CE2-CB 3.65Å; Y330-K402 HydrophobicContact CE2-CD 4.45Å; Y330-K402 HydrophobicContact CE2-CG 4.06Å; Y330-K402 HydrophobicContact CG-CB 4.31Å; Y330-K402 HydrophobicContact CG-CD 3.9Å; Y330-K402 HydrophobicContact CG-CG 4.39Å; Y330-E405 PolarHBondContact OH-OE1 2.97Å; Y330-E405 PolarHBondContact OH-OE2 2.94Å; Y330-L406 HydrophobicContact CD2-CD1 4.04Å; Y330-L406 HydrophobicContact CD2-CD2 3.91Å; Y330-L406 HydrophobicContact CD2-CG 3.83Å; Y330-L406 HydrophobicContact CE2-CD1 4.44Å; Y330-L406 HydrophobicContact CE2-CD2 3.78Å; Y330-L406 HydrophobicContact CE2-CG 3.74Å |
| 331 | R | 96.1 | Very high | 95.5 | Very high | 159 Ų | 159 | 48.4 Ų | 48.4 | 60% | 0.6 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -67.5 | -36.9 | -178.5 | -75.5 | 176.5 | -70.4 | 142.4 | -1.9 | 112.2 | E327 H328 N329 G335 | E327-R331 PolarHBondContact O-NE 2.98Å; E327-R331 PolarHBondContact O-NH2 3.11Å; H328-R331 PolarHBondContact O-N 3.1Å; N329-R331 PolarHBondContact O-N 3.1Å; R331-G335 PolarHBondContact O-N 3.21Å |
| 332 | E | 96.7 | Very high | 95.6 | Very high | 83 Ų | 83 | 53.9 Ų | 53.9 | 39% | 0.388 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.7 | -54.3 | 175.6 | -164.8 | -143.2 | 144.7 | 0 | 0 | 111 | H328 N329 Y330 R334 G335 L336 R377 | H328-E332 PolarHBondContact O-N 3.02Å; H328-E332 VanDerWaalsContact O-N 3.11Å; N329-E332 PolarHBondContact O-N 3.35Å; Y330-E332 PolarHBondContact O-N 3.08Å; E332-R334 PolarHBondContact O-N 3.38Å; E332-G335 PolarHBondContact O-N 2.93Å; E332-L336 WeakPolarHBondContact O-CG 3.27Å; E332-L336 PolarHBondContact O-N 3.26Å; E332-R377 IonicContact OE1-CZ 3.83Å; E332-R377 VanDerWaalsContact OE1-CZ 3.25Å; E332-R377 IonicContact OE1-NH1 3.26Å; E332-R377 PolarHBondContact OE1-NH1 2.78Å; E332-R377 IonicContact OE1-NH2 3.73Å; E332-R377 PolarHBondContact OE1-NH2 2.88Å; E332-R377 IonicContact OE2-CZ 2.66Å; E332-R377 IonicContact OE2-NH2 2.82Å; E332-R377 PolarHBondContact OE2-NH2 2.85Å |
| 333 | V | 97.8 | Very high | 95.6 | Very high | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.018 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.2 | -38.6 | -179.6 | 174.8 | 0 | 0 | 0 | 0 | 111.7 | N329 L336 L337 R377 A378 L381 L406 | N329-V333 WeakPolarHBondContact O-CB 3.42Å; N329-V333 WeakPolarHBondContact O-CG2 3.4Å; N329-V333 PolarHBondContact O-N 3.04Å; V333-L336 PolarHBondContact O-N 3.04Å; V333-L337 HydrophobicContact CG1-CD1 4.18Å; V333-L337 HydrophobicContact CG1-CG 4.48Å; V333-L337 WeakPolarHBondContact O-CG 3.39Å; V333-L337 PolarHBondContact O-N 3.06Å; V333-R377 HydrophobicContact CG2-CB 4.32Å; V333-A378 HydrophobicContact CG1-CB 3.72Å; V333-L381 HydrophobicContact CB-CD2 4.23Å; V333-L381 HydrophobicContact CG2-CD2 4.09Å; V333-L406 HydrophobicContact CG1-CD2 4.23Å |
| 334 | R | 97 | Very high | 95.6 | Very high | 45 Ų | 45 | 54.4 Ų | 54.4 | 17% | 0.17 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.3 | -48.7 | 175.5 | -169.4 | 72.2 | 177.5 | 79.3 | 1.3 | 111 | Y330 E332 L336 L337 D338 E405 | Y330-R334 HydrophobicContact CE1-CB 4.48Å; Y330-R334 HydrophobicContact CE1-CG 4.49Å; Y330-R334 WeakPolarHBondContact O-CB 3.48Å; Y330-R334 PolarHBondContact O-N 3.48Å; E332-R334 PolarHBondContact O-N 3.38Å; R334-L336 VanDerWaalsContact C-N 3.32Å; R334-L336 PolarHBondContact O-N 2.94Å; R334-L337 WeakPolarHBondContact O-CB 3.39Å; R334-L337 PolarHBondContact O-N 3.37Å; R334-L337 VanDerWaalsContact O-N 3.17Å; R334-D338 IonicContact CZ-OD1 3.44Å; R334-D338 IonicContact CZ-OD2 2.73Å; R334-D338 IonicContact NH1-OD1 3.93Å; R334-D338 PolarHBondContact NH1-OD1 2.98Å; R334-D338 IonicContact NH1-OD2 2.72Å; R334-D338 PolarHBondContact NH1-OD2 3.33Å; R334-D338 PolarHBondContact O-N 3.29Å; R334-E405 IonicContact CZ-OE1 2.72Å; R334-E405 VanDerWaalsContact CZ-OE1 3.23Å; R334-E405 IonicContact NE-OE1 3.11Å; R334-E405 PolarHBondContact NE-OE1 3.11Å; R334-E405 IonicContact NH2-OE1 2.7Å; R334-E405 PolarHBondContact NH2-OE1 3.1Å |
| 335 | G | 95.9 | Very high | 95.5 | Very high | 28 Ų | 28 | 58.1 Ų | 58.1 | 29% | 0.289 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.6 | -33.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | R331 E332 N339 | R331-G335 PolarHBondContact O-N 3.21Å; E332-G335 PolarHBondContact O-N 2.93Å; G335-N339 WeakPolarHBondContact O-CB 3.35Å; G335-N339 PolarHBondContact O-N 3.46Å; G335-N339 PolarHBondContact O-ND2 3.04Å |
| 336 | L | 96.8 | Very high | 95.3 | Very high | 55 Ų | 55 | 59.8 Ų | 59.8 | 29% | 0.288 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66 | -44.2 | 171.3 | -69.4 | 171 | 0 | 0 | 0 | 111.8 | E332 V333 R334 N339 L340 V374 R377 | E332-L336 WeakPolarHBondContact O-CG 3.27Å; E332-L336 PolarHBondContact O-N 3.26Å; V333-L336 PolarHBondContact O-N 3.04Å; R334-L336 VanDerWaalsContact C-N 3.32Å; R334-L336 PolarHBondContact O-N 2.94Å; L336-N339 PolarHBondContact O-N 3.33Å; L336-L340 WeakPolarHBondContact O-CB 3.37Å; L336-L340 VanDerWaalsContact O-CG 3.26Å; L336-L340 WeakPolarHBondContact O-CG 3.31Å; L336-L340 PolarHBondContact O-N 3.45Å; L336-V374 HydrophobicContact CB-CG1 3.78Å; L336-V374 HydrophobicContact CB-CG2 4.29Å; L336-R377 VanDerWaalsContact CD1-NH1 3.34Å |
| 337 | L | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.9 | -40.2 | 175.5 | -71.3 | 168.2 | 0 | 0 | 0 | 112.3 | V333 R334 L340 S341 V374 L375 A378 L406 I409 L413 | V333-L337 HydrophobicContact CG1-CD1 4.18Å; V333-L337 HydrophobicContact CG1-CG 4.48Å; V333-L337 WeakPolarHBondContact O-CG 3.39Å; V333-L337 PolarHBondContact O-N 3.06Å; R334-L337 WeakPolarHBondContact O-CB 3.39Å; R334-L337 PolarHBondContact O-N 3.37Å; R334-L337 VanDerWaalsContact O-N 3.17Å; L337-L340 PolarHBondContact O-N 3.24Å; L337-S341 WeakPolarHBondContact O-CB 3.31Å; L337-S341 PolarHBondContact O-N 2.98Å; L337-S341 PolarHBondContact O-OG 2.73Å; L337-V374 HydrophobicContact CD2-CG1 3.8Å; L337-V374 HydrophobicContact CG-CG1 3.91Å; L337-L375 HydrophobicContact CD2-CD2 4.14Å; L337-A378 HydrophobicContact CD1-CB 4.05Å; L337-L406 HydrophobicContact CD1-CD2 4.06Å; L337-I409 HydrophobicContact CB-CG2 3.86Å; L337-I409 HydrophobicContact CD1-CG2 4.09Å; L337-I409 HydrophobicContact CG-CG2 4.42Å; L337-L413 HydrophobicContact CD2-CD2 3.79Å |
| 338 | D | 94.6 | Very high | 94.3 | Very high | 65 Ų | 65 | 62.6 Ų | 62.6 | 35% | 0.348 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.6 | -48.5 | 175.9 | -70.4 | -50.4 | 0 | 0 | 0 | 111.3 | R334 L340 S341 E342 | R334-D338 IonicContact CZ-OD1 3.44Å; R334-D338 IonicContact CZ-OD2 2.73Å; R334-D338 IonicContact NH1-OD1 3.93Å; R334-D338 PolarHBondContact NH1-OD1 2.98Å; R334-D338 IonicContact NH1-OD2 2.72Å; R334-D338 PolarHBondContact NH1-OD2 3.33Å; R334-D338 PolarHBondContact O-N 3.29Å; D338-L340 VanDerWaalsContact C-N 3.28Å; D338-L340 PolarHBondContact O-N 2.68Å; D338-S341 WeakPolarHBondContact O-CA 3.09Å; D338-S341 WeakPolarHBondContact O-CB 3.44Å; D338-S341 PolarHBondContact O-N 2.86Å; D338-E342 PolarHBondContact O-N 3.5Å |
| 339 | N | 95.8 | Very high | 93.1 | Very high | 104 Ų | 104 | 62.9 Ų | 62.9 | 56% | 0.556 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -57.9 | -38.8 | 175.6 | -74.4 | -32.1 | 0 | 0 | 0 | 112.6 | G335 L336 K343 | G335-N339 WeakPolarHBondContact O-CB 3.35Å; G335-N339 PolarHBondContact O-N 3.46Å; G335-N339 PolarHBondContact O-ND2 3.04Å; L336-N339 PolarHBondContact O-N 3.33Å; N339-K343 VanDerWaalsContact O-CB 3.3Å; N339-K343 WeakPolarHBondContact O-CB 3.47Å; N339-K343 PolarHBondContact O-N 3.31Å |
| 340 | L | 96.4 | Very high | 91.8 | Very high | 22 Ų | 22 | 62.2 Ų | 62.2 | 12% | 0.115 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69.1 | -37.9 | 174.4 | -72.2 | 172.9 | 0 | 0 | 0 | 111.9 | L336 L337 D338 K343 L344 F367 V371 V374 L413 | L336-L340 WeakPolarHBondContact O-CB 3.37Å; L336-L340 VanDerWaalsContact O-CG 3.26Å; L336-L340 WeakPolarHBondContact O-CG 3.31Å; L336-L340 PolarHBondContact O-N 3.45Å; L337-L340 PolarHBondContact O-N 3.24Å; D338-L340 VanDerWaalsContact C-N 3.28Å; D338-L340 PolarHBondContact O-N 2.68Å; L340-K343 PolarHBondContact O-N 3.05Å; L340-L344 WeakPolarHBondContact O-CB 3.47Å; L340-L344 PolarHBondContact O-N 3.1Å; L340-F367 HydrophobicContact CB-CZ 4.25Å; L340-F367 HydrophobicContact CD2-CE2 3.48Å; L340-F367 VanDerWaalsContact CD2-CE2 3.48Å; L340-F367 HydrophobicContact CD2-CZ 3.57Å; L340-F367 WeakPolarHBondContact O-CZ 3.47Å; L340-V371 HydrophobicContact CD1-CG2 4.24Å; L340-V371 HydrophobicContact CD2-CG2 4.08Å; L340-V374 HydrophobicContact CD1-CB 3.62Å; L340-V374 HydrophobicContact CD1-CG1 3.94Å; L340-V374 HydrophobicContact CD1-CG2 3.72Å; L340-L413 HydrophobicContact CB-CD2 3.99Å; L340-L413 HydrophobicContact CD1-CD2 4.38Å |
| 341 | S | 95.1 | Very high | 90.4 | Very high | 36 Ų | 36 | 61.1 Ų | 61.1 | 25% | 0.252 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.4 | -47.2 | 177.6 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | L337 D338 K343 L344 V345 | L337-S341 WeakPolarHBondContact O-CB 3.31Å; L337-S341 PolarHBondContact O-N 2.98Å; L337-S341 PolarHBondContact O-OG 2.73Å; D338-S341 WeakPolarHBondContact O-CA 3.09Å; D338-S341 WeakPolarHBondContact O-CB 3.44Å; D338-S341 PolarHBondContact O-N 2.86Å; S341-K343 PolarHBondContact O-N 3.34Å; S341-L344 PolarHBondContact O-N 2.85Å; S341-V345 WeakPolarHBondContact O-CG2 3.49Å; S341-V345 PolarHBondContact O-N 3Å; S341-V345 VanDerWaalsContact O-N 3.15Å |
| 342 | E | 94.1 | Very high | 89.4 | Confident | 141 Ų | 141 | 58.6 Ų | 58.6 | 66% | 0.659 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -59.2 | -46.8 | 173.8 | -70.6 | -170.1 | 170.6 | 0 | 0 | 111 | D338 L344 V345 T346 | D338-E342 PolarHBondContact O-N 3.5Å; E342-L344 VanDerWaalsContact C-N 3.34Å; E342-L344 PolarHBondContact O-N 2.93Å; E342-V345 WeakPolarHBondContact O-CB 3.39Å; E342-V345 PolarHBondContact O-N 3.2Å; E342-T346 PolarHBondContact O-N 3.42Å |
| 343 | K | 93.4 | Very high | 88.6 | Confident | 95 Ų | 95 | 57 Ų | 57 | 41% | 0.413 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.4 | -38.7 | 177.3 | -179.1 | 162.8 | 173.7 | 173.9 | 0 | 112.4 | N339 L340 S341 V345 T346 F347 F367 | N339-K343 VanDerWaalsContact O-CB 3.3Å; N339-K343 WeakPolarHBondContact O-CB 3.47Å; N339-K343 PolarHBondContact O-N 3.31Å; L340-K343 PolarHBondContact O-N 3.05Å; S341-K343 PolarHBondContact O-N 3.34Å; K343-V345 VanDerWaalsContact C-N 3.28Å; K343-V345 PolarHBondContact O-N 2.85Å; K343-T346 PolarHBondContact O-N 3.08Å; K343-T346 VanDerWaalsContact O-N 3.09Å; K343-T346 PolarHBondContact O-OG1 2.76Å; K343-F347 HydrophobicContact CG-CE2 4.28Å; K343-F347 WeakPolarHBondContact O-CD2 3.49Å; K343-F367 HydrophobicContact CB-CE2 4.25Å; K343-F367 HydrophobicContact CB-CZ 4.04Å; K343-F367 HydrophobicContact CD-CD2 4.2Å; K343-F367 HydrophobicContact CD-CE2 3.63Å; K343-F367 HydrophobicContact CD-CZ 4.27Å; K343-F367 HydrophobicContact CG-CE2 3.82Å; K343-F367 HydrophobicContact CG-CZ 3.96Å |
| 344 | L | 94 | Very high | 87.7 | Confident | 6 Ų | 6 | 58.8 Ų | 58.8 | 3% | 0.031 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.8 | -36.8 | 175.9 | -177.6 | 58.6 | 0 | 0 | 0 | 112.3 | L340 S341 E342 T346 F347 L364 F367 L413 L417 K420 | L340-L344 WeakPolarHBondContact O-CB 3.47Å; L340-L344 PolarHBondContact O-N 3.1Å; S341-L344 PolarHBondContact O-N 2.85Å; E342-L344 VanDerWaalsContact C-N 3.34Å; E342-L344 PolarHBondContact O-N 2.93Å; L344-T346 VanDerWaalsContact C-N 3.3Å; L344-T346 PolarHBondContact O-N 3.25Å; L344-F347 PolarHBondContact O-N 3.2Å; L344-L364 HydrophobicContact CD1-CD1 3.78Å; L344-F367 HydrophobicContact CB-CE1 4.05Å; L344-F367 HydrophobicContact CD1-CD1 4.49Å; L344-F367 HydrophobicContact CD1-CE1 4.23Å; L344-L413 HydrophobicContact CB-CD1 4.48Å; L344-L413 HydrophobicContact CD2-CD1 3.75Å; L344-L417 HydrophobicContact CD1-CD1 3.85Å; L344-L417 HydrophobicContact CD2-CB 4.03Å; L344-K420 HydrophobicContact CD1-CD 4.23Å; L344-K420 WeakPolarHBondContact O-CE 3.41Å; L344-K420 PolarHBondContact O-NZ 3.02Å |
| 345 | V | 91.6 | Very high | 87.1 | Confident | 113 Ų | 113 | 60.2 Ų | 60.2 | 69% | 0.685 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -62.3 | -37.9 | 174.5 | 174.8 | 0 | 0 | 0 | 0 | 111 | S341 E342 K343 F347 K420 | S341-V345 WeakPolarHBondContact O-CG2 3.49Å; S341-V345 PolarHBondContact O-N 3Å; S341-V345 VanDerWaalsContact O-N 3.15Å; E342-V345 WeakPolarHBondContact O-CB 3.39Å; E342-V345 PolarHBondContact O-N 3.2Å; K343-V345 VanDerWaalsContact C-N 3.28Å; K343-V345 PolarHBondContact O-N 2.85Å; V345-F347 VanDerWaalsContact C-N 3.28Å; V345-F347 PolarHBondContact O-N 3.01Å; V345-K420 PolarHBondContact O-NZ 3.09Å; V345-K420 VanDerWaalsContact O-NZ 3.14Å |
| 346 | T | 90.9 | Very high | 86.5 | Confident | 108 Ų | 108 | 62 Ų | 62 | 66% | 0.663 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -67 | -18.5 | -178.2 | 69.3 | 0 | 0 | 0 | 0 | 115.7 | E342 K343 L344 S348 | E342-T346 PolarHBondContact O-N 3.42Å; K343-T346 PolarHBondContact O-N 3.08Å; K343-T346 VanDerWaalsContact O-N 3.09Å; K343-T346 PolarHBondContact O-OG1 2.76Å; L344-T346 VanDerWaalsContact C-N 3.3Å; L344-T346 PolarHBondContact O-N 3.25Å; T346-S348 PolarHBondContact O-N 3.25Å |
| 347 | F | 88.8 | Confident | 85.9 | Confident | 25 Ų | 25 | 59.4 Ų | 59.4 | 11% | 0.11 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -63.3 | 133.8 | 175.2 | -80.2 | -93 | 0 | 0 | 0 | 110.8 | K343 L344 V345 I360 E363 L364 F367 K420 | K343-F347 HydrophobicContact CG-CE2 4.28Å; K343-F347 WeakPolarHBondContact O-CD2 3.49Å; L344-F347 PolarHBondContact O-N 3.2Å; V345-F347 VanDerWaalsContact C-N 3.28Å; V345-F347 PolarHBondContact O-N 3.01Å; F347-I360 HydrophobicContact CD1-CG2 4.23Å; F347-E363 HydrophobicContact CE1-CB 3.97Å; F347-L364 HydrophobicContact CD1-CB 4.14Å; F347-L364 HydrophobicContact CD1-CD1 4Å; F347-L364 HydrophobicContact CD2-CD1 4.02Å; F347-L364 HydrophobicContact CE1-CB 3.98Å; F347-L364 HydrophobicContact CE1-CD1 4.08Å; F347-L364 HydrophobicContact CE2-CD1 4.08Å; F347-L364 HydrophobicContact CG-CD1 3.98Å; F347-L364 HydrophobicContact CZ-CD1 4.12Å; F347-F367 HydrophobicContact CE2-CB 4.17Å; F347-F367 AromaticContact CE2-CD1 3.66Å; F347-F367 HydrophobicContact CE2-CD1 3.66Å; F347-F367 HydrophobicContact CE2-CD2 4.29Å; F347-F367 HydrophobicContact CE2-CE1 4.09Å; F347-F367 AromaticContact CE2-CG 3.76Å; F347-F367 HydrophobicContact CE2-CG 3.76Å; F347-F367 HydrophobicContact CZ-CB 3.73Å; F347-F367 HydrophobicContact CZ-CD1 4.11Å; F347-F367 HydrophobicContact CZ-CD2 4.46Å; F347-F367 AromaticContact CZ-CG 3.84Å; F347-F367 HydrophobicContact CZ-CG 3.84Å; F347-K420 WeakPolarHBondContact O-CE 3.34Å; F347-K420 PolarHBondContact O-NZ 2.96Å |
| 348 | S | 81.3 | Confident | 85.4 | Confident | 65 Ų | 65 | 63.6 Ų | 63.6 | 46% | 0.455 | 36% | 0.357 | S | S | . | . | trans | -73.7 | 127.8 | 177.8 | -70 | 0 | 0 | 0 | 0 | 111.2 | T346 V350 | T346-S348 PolarHBondContact O-N 3.25Å; S348-V350 VanDerWaalsContact C-N 3.33Å | ||
| 349 | E | 69.8 | Low | 85.1 | Confident | 98 Ų | 98 | 65.6 Ų | 65.6 | 46% | 0.458 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -78.4 | -19.9 | -178.4 | -70.8 | 158.5 | -165.8 | 0 | 0 | 112.5 | K420 Y423 | E349-K420 HydrophobicContact CG-CD 4.17Å; E349-K420 VanDerWaalsContact CG-CE 3.46Å; E349-K420 HydrophobicContact CG-CG 4.31Å; E349-K420 WeakPolarHBondContact OE1-CE 3.29Å; E349-K420 IonicContact OE1-NZ 2.65Å; E349-K420 PolarHBondContact OE1-NZ 3.22Å; E349-Y423 HydrophobicContact CB-CD1 4.02Å; E349-Y423 HydrophobicContact CB-CE1 3.88Å; E349-Y423 VanDerWaalsContact O-CD1 3.25Å; E349-Y423 WeakPolarHBondContact O-CD1 3.45Å; E349-Y423 VanDerWaalsContact O-CE1 3.32Å; E349-Y423 WeakPolarHBondContact O-CE1 3.39Å |
| 350 | V | 67.8 | Low | 84.8 | Confident | 33 Ų | 33 | 61 Ų | 61 | 20% | 0.2 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -124.3 | 114.3 | 178.3 | 174.8 | 0 | 0 | 0 | 0 | 109.8 | S348 Y423 F499 | S348-V350 VanDerWaalsContact C-N 3.33Å; V350-Y423 HydrophobicContact CG2-CE1 4.2Å; V350-F499 HydrophobicContact CB-CE2 4.46Å; V350-F499 HydrophobicContact CG1-CD2 4.09Å; V350-F499 HydrophobicContact CG1-CE2 3.65Å; V350-F499 HydrophobicContact CG1-CZ 4.28Å; V350-F499 HydrophobicContact CG2-CD2 4.46Å; V350-F499 HydrophobicContact CG2-CE2 4.16Å |
| 351 | G | 68.1 | Low | 84.5 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | trans | -71.2 | 132.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | S353 H431 | G351-S353 PolarHBondContact O-N 3.22Å; G351-H431 PolarHBondContact O-NE2 3.3Å | ||
| 352 | I | 75.1 | Confident | 84.2 | Confident | 105 Ų | 105 | 63.7 Ų | 63.7 | 54% | 0.538 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -66.6 | -22.9 | -177.1 | -58.8 | 171.2 | 0 | 0 | 0 | 112.2 | H356 | I352-H356 PolarHBondContact N-ND1 3.35Š|
| 353 | S | 78.5 | Confident | 84.1 | Confident | 49 Ų | 49 | 61.8 Ų | 61.8 | 34% | 0.343 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -145.9 | 166.5 | 176.7 | 72 | 0 | 0 | 0 | 0 | 110.2 | G351 A355 H356 A357 | G351-S353 PolarHBondContact O-N 3.22Å; S353-A355 VanDerWaalsContact C-N 3.35Å; S353-A355 PolarHBondContact O-N 3.43Å; S353-H356 PolarHBondContact O-N 2.98Å; S353-H356 VanDerWaalsContact O-N 3.13Å; S353-H356 WeakPolarHBondContact OG-CB 3.24Å; S353-H356 PolarHBondContact OG-N 2.95Å; S353-A357 PolarHBondContact O-N 2.91Å |
| 354 | P | 80.9 | Confident | 84 | Confident | 42 Ų | 42 | 57.3 Ų | 57.3 | 27% | 0.273 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -56.5 | -46 | 178.7 | -22.5 | 30.6 | 0 | 0 | 0 | 112.7 | H356 A357 D358 H431 | P354-H356 VanDerWaalsContact C-N 3.33Å; P354-H356 PolarHBondContact O-N 3.48Å; P354-A357 PolarHBondContact O-N 3.36Å; P354-D358 WeakPolarHBondContact O-CB 3.29Å; P354-D358 PolarHBondContact O-N 3.37Å; P354-H431 HydrophobicContact CB-CB 4.16Å; P354-H431 HydrophobicContact CG-CB 3.99Å |
| 355 | A | 82.7 | Confident | 83.9 | Confident | 75 Ų | 75 | 59.1 Ų | 59.1 | 62% | 0.62 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -68.5 | -28.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S353 H359 | S353-A355 VanDerWaalsContact C-N 3.35Å; S353-A355 PolarHBondContact O-N 3.43Å; A355-H359 WeakPolarHBondContact O-CB 3.49Å; A355-H359 PolarHBondContact O-N 3Å; A355-H359 VanDerWaalsContact O-N 3.1Å |
| 356 | H | 84.3 | Confident | 83.9 | Confident | 66 Ų | 66 | 56.6 Ų | 56.6 | 31% | 0.306 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -73.1 | -40 | 173.6 | -174.5 | -166.2 | 0 | 0 | 0 | 111.1 | I352 S353 P354 H359 I360 | I352-H356 PolarHBondContact N-ND1 3.35Å; S353-H356 PolarHBondContact O-N 2.98Å; S353-H356 VanDerWaalsContact O-N 3.13Å; S353-H356 WeakPolarHBondContact OG-CB 3.24Å; S353-H356 PolarHBondContact OG-N 2.95Å; P354-H356 VanDerWaalsContact C-N 3.33Å; P354-H356 PolarHBondContact O-N 3.48Å; H356-H359 PolarHBondContact O-N 3.43Å; H356-I360 WeakPolarHBondContact O-CD1 3.44Å; H356-I360 VanDerWaalsContact O-CG1 3.26Å; H356-I360 WeakPolarHBondContact O-CG1 3.43Å; H356-I360 PolarHBondContact O-N 2.99Å |
| 357 | A | 84.8 | Confident | 84.1 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.7 | -43 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S353 P354 I360 F361 M428 | S353-A357 PolarHBondContact O-N 2.91Å; P354-A357 PolarHBondContact O-N 3.36Å; A357-I360 PolarHBondContact O-N 3.01Å; A357-F361 WeakPolarHBondContact O-CB 3.19Å; A357-F361 PolarHBondContact O-N 2.74Å; A357-M428 HydrophobicContact CB-CG 3.58Å; A357-M428 HydrophobicContact CB-SD 4.5Å |
| 358 | D | 85.6 | Confident | 84.3 | Confident | 87 Ų | 87 | 53.3 Ų | 53.3 | 47% | 0.465 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 175.2 | -163.1 | 71.7 | 0 | 0 | 0 | 112.1 | P354 F361 C362 M428 | P354-D358 WeakPolarHBondContact O-CB 3.29Å; P354-D358 PolarHBondContact O-N 3.37Å; D358-F361 PolarHBondContact O-N 2.71Å; D358-C362 PolarHBondContact O-N 3.4Å; D358-C362 PolarHBondContact O-SG 3.12Å; D358-M428 HydrophobicContact CB-CE 3.95Å; D358-M428 WeakPolarHBondContact OD1-CE 3.2Å |
| 359 | H | 88.4 | Confident | 84.9 | Confident | 107 Ų | 107 | 56 Ų | 56 | 50% | 0.495 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.3 | -47.7 | 175 | -176.6 | 42.4 | 0 | 0 | 0 | 112.7 | A355 H356 F361 C362 E363 | A355-H359 WeakPolarHBondContact O-CB 3.49Å; A355-H359 PolarHBondContact O-N 3Å; A355-H359 VanDerWaalsContact O-N 3.1Å; H356-H359 PolarHBondContact O-N 3.43Å; H359-F361 VanDerWaalsContact C-N 3.29Å; H359-F361 PolarHBondContact O-N 3.45Å; H359-C362 WeakPolarHBondContact O-CB 3.43Å; H359-C362 PolarHBondContact O-N 3.04Å; H359-E363 PolarHBondContact O-N 2.74Å |
| 360 | I | 89.1 | Confident | 86 | Confident | 9 Ų | 9 | 56.9 Ų | 56.9 | 5% | 0.046 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.6 | -41.4 | 176.4 | -64.4 | 160.3 | 0 | 0 | 0 | 110.5 | F347 H356 A357 E363 L364 L424 | F347-I360 HydrophobicContact CD1-CG2 4.23Å; H356-I360 WeakPolarHBondContact O-CD1 3.44Å; H356-I360 VanDerWaalsContact O-CG1 3.26Å; H356-I360 WeakPolarHBondContact O-CG1 3.43Å; H356-I360 PolarHBondContact O-N 2.99Å; A357-I360 PolarHBondContact O-N 3.01Å; I360-E363 PolarHBondContact O-N 3.31Å; I360-L364 VanDerWaalsContact O-CB 3.28Å; I360-L364 WeakPolarHBondContact O-CB 3.37Å; I360-L364 PolarHBondContact O-N 2.77Å; I360-L424 HydrophobicContact CG2-CD1 3.72Å; I360-L424 HydrophobicContact CG2-CD2 4.12Å |
| 361 | F | 89.5 | Confident | 87.4 | Confident | 47 Ų | 47 | 55.3 Ų | 55.3 | 21% | 0.206 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66 | -37.6 | 178.9 | -175.5 | -96.7 | 0 | 0 | 0 | 112.5 | A357 D358 H359 T365 K421 L424 L425 M428 | A357-F361 WeakPolarHBondContact O-CB 3.19Å; A357-F361 PolarHBondContact O-N 2.74Å; D358-F361 PolarHBondContact O-N 2.71Å; H359-F361 VanDerWaalsContact C-N 3.29Å; H359-F361 PolarHBondContact O-N 3.45Å; F361-T365 WeakPolarHBondContact O-CB 3.35Å; F361-T365 PolarHBondContact O-N 2.9Å; F361-T365 PolarHBondContact O-OG1 3.33Å; F361-K421 HydrophobicContact CE2-CB 4.28Å; F361-K421 HydrophobicContact CE2-CD 4.39Å; F361-K421 HydrophobicContact CE2-CG 4.09Å; F361-L424 HydrophobicContact CD2-CB 4.36Å; F361-L425 HydrophobicContact CD2-CD2 4.18Å; F361-L425 HydrophobicContact CD2-CG 4.2Å; F361-L425 HydrophobicContact CE1-CD2 4.27Å; F361-L425 HydrophobicContact CE2-CD1 3.99Å; F361-L425 HydrophobicContact CE2-CD2 3.65Å; F361-L425 HydrophobicContact CE2-CG 3.58Å; F361-L425 HydrophobicContact CZ-CD1 4.24Å; F361-L425 HydrophobicContact CZ-CD2 3.71Å; F361-L425 HydrophobicContact CZ-CG 4.06Å; F361-M428 HydrophobicContact CB-SD 3.77Å; F361-M428 HydrophobicContact CG-SD 4.08Å |
| 362 | C | 90.2 | Very high | 88.7 | Confident | 66 Ų | 66 | 58.1 Ų | 58.1 | 45% | 0.446 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.7 | -48.6 | 171.4 | -67.3 | 0 | 0 | 0 | 0 | 111.6 | D358 H359 L364 T365 S366 | D358-C362 PolarHBondContact O-N 3.4Å; D358-C362 PolarHBondContact O-SG 3.12Å; H359-C362 WeakPolarHBondContact O-CB 3.43Å; H359-C362 PolarHBondContact O-N 3.04Å; C362-L364 VanDerWaalsContact C-N 3.31Å; C362-L364 PolarHBondContact O-N 3.34Å; C362-T365 PolarHBondContact O-N 2.98Å; C362-T365 VanDerWaalsContact O-N 3.15Å; C362-S366 PolarHBondContact O-N 3.11Å |
| 363 | E | 91.2 | Very high | 89.7 | Confident | 102 Ų | 102 | 59.3 Ų | 59.3 | 48% | 0.477 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.9 | -38.8 | 177.3 | -72.5 | -159 | 106.4 | 0 | 0 | 112.7 | F347 H359 I360 T365 S366 F367 | F347-E363 HydrophobicContact CE1-CB 3.97Å; H359-E363 PolarHBondContact O-N 2.74Å; I360-E363 PolarHBondContact O-N 3.31Å; E363-T365 VanDerWaalsContact C-N 3.32Å; E363-S366 CarbonylContact O-C 3.59Å; E363-S366 PolarHBondContact O-N 3.28Å; E363-F367 WeakPolarHBondContact O-CB 3.46Å; E363-F367 PolarHBondContact O-N 3.42Å |
| 364 | L | 92.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.9 | -31.5 | 177.1 | -172.6 | 61.3 | 0 | 0 | 0 | 111.8 | L344 F347 I360 C362 F367 E368 L417 K420 K421 L424 | L344-L364 HydrophobicContact CD1-CD1 3.78Å; F347-L364 HydrophobicContact CD1-CB 4.14Å; F347-L364 HydrophobicContact CD1-CD1 4Å; F347-L364 HydrophobicContact CD2-CD1 4.02Å; F347-L364 HydrophobicContact CE1-CB 3.98Å; F347-L364 HydrophobicContact CE1-CD1 4.08Å; F347-L364 HydrophobicContact CE2-CD1 4.08Å; F347-L364 HydrophobicContact CG-CD1 3.98Å; F347-L364 HydrophobicContact CZ-CD1 4.12Å; I360-L364 VanDerWaalsContact O-CB 3.28Å; I360-L364 WeakPolarHBondContact O-CB 3.37Å; I360-L364 PolarHBondContact O-N 2.77Å; C362-L364 VanDerWaalsContact C-N 3.31Å; C362-L364 PolarHBondContact O-N 3.34Å; L364-F367 HydrophobicContact CD1-CD1 4.16Å; L364-F367 WeakPolarHBondContact O-CB 3.46Å; L364-F367 PolarHBondContact O-N 3.25Å; L364-E368 PolarHBondContact O-N 2.99Å; L364-L417 HydrophobicContact CD1-CD1 3.61Å; L364-L417 HydrophobicContact CG-CD1 4.03Å; L364-K420 HydrophobicContact CD2-CG 4.42Å; L364-K421 HydrophobicContact CD2-CB 4.47Å; L364-K421 HydrophobicContact CD2-CG 3.63Å; L364-K421 HydrophobicContact CG-CG 4.06Å; L364-L424 HydrophobicContact CD2-CD1 3.65Å |
| 365 | T | 91.6 | Very high | 91.3 | Very high | 44 Ų | 44 | 56.9 Ų | 56.9 | 27% | 0.27 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -72.8 | -43.5 | 174.4 | -58.4 | 0 | 0 | 0 | 0 | 111.4 | F361 C362 E363 F367 E368 | F361-T365 WeakPolarHBondContact O-CB 3.35Å; F361-T365 PolarHBondContact O-N 2.9Å; F361-T365 PolarHBondContact O-OG1 3.33Å; C362-T365 PolarHBondContact O-N 2.98Å; C362-T365 VanDerWaalsContact O-N 3.15Å; E363-T365 VanDerWaalsContact C-N 3.32Å; T365-F367 PolarHBondContact O-N 2.88Å; T365-E368 WeakPolarHBondContact O-CB 3.39Å; T365-E368 PolarHBondContact O-N 3.17Å |
| 366 | S | 90.8 | Very high | 92 | Very high | 61 Ų | 61 | 58.9 Ų | 58.9 | 43% | 0.427 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -71.1 | -6.2 | 169.2 | -60.6 | 0 | 0 | 0 | 0 | 113.5 | C362 E363 R370 | C362-S366 PolarHBondContact O-N 3.11Å; E363-S366 CarbonylContact O-C 3.59Å; E363-S366 PolarHBondContact O-N 3.28Å; S366-R370 VanDerWaalsContact O-CZ 3.26Å; S366-R370 PolarHBondContact O-NE 3.29Å; S366-R370 VanDerWaalsContact O-NE 3.13Å; S366-R370 PolarHBondContact O-NH2 2.75Å |
| 367 | F | 94.2 | Very high | 92.6 | Very high | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.009 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -88.5 | -38.5 | 169.5 | -178.2 | -112.3 | 0 | 0 | 0 | 111.8 | L340 K343 L344 F347 E363 L364 T365 E369 R370 V371 | L340-F367 HydrophobicContact CB-CZ 4.25Å; L340-F367 HydrophobicContact CD2-CE2 3.48Å; L340-F367 VanDerWaalsContact CD2-CE2 3.48Å; L340-F367 HydrophobicContact CD2-CZ 3.57Å; L340-F367 WeakPolarHBondContact O-CZ 3.47Å; K343-F367 HydrophobicContact CB-CE2 4.25Å; K343-F367 HydrophobicContact CB-CZ 4.04Å; K343-F367 HydrophobicContact CD-CD2 4.2Å; K343-F367 HydrophobicContact CD-CE2 3.63Å; K343-F367 HydrophobicContact CD-CZ 4.27Å; K343-F367 HydrophobicContact CG-CE2 3.82Å; K343-F367 HydrophobicContact CG-CZ 3.96Å; L344-F367 HydrophobicContact CB-CE1 4.05Å; L344-F367 HydrophobicContact CD1-CD1 4.49Å; L344-F367 HydrophobicContact CD1-CE1 4.23Å; F347-F367 HydrophobicContact CE2-CB 4.17Å; F347-F367 AromaticContact CE2-CD1 3.66Å; F347-F367 HydrophobicContact CE2-CD1 3.66Å; F347-F367 HydrophobicContact CE2-CD2 4.29Å; F347-F367 HydrophobicContact CE2-CE1 4.09Å; F347-F367 AromaticContact CE2-CG 3.76Å; F347-F367 HydrophobicContact CE2-CG 3.76Å; F347-F367 HydrophobicContact CZ-CB 3.73Å; F347-F367 HydrophobicContact CZ-CD1 4.11Å; F347-F367 HydrophobicContact CZ-CD2 4.46Å; F347-F367 AromaticContact CZ-CG 3.84Å; F347-F367 HydrophobicContact CZ-CG 3.84Å; E363-F367 WeakPolarHBondContact O-CB 3.46Å; E363-F367 PolarHBondContact O-N 3.42Å; L364-F367 HydrophobicContact CD1-CD1 4.16Å; L364-F367 WeakPolarHBondContact O-CB 3.46Å; L364-F367 PolarHBondContact O-N 3.25Å; T365-F367 PolarHBondContact O-N 2.88Å; F367-E369 VanDerWaalsContact C-N 3.31Å; F367-E369 PolarHBondContact O-N 3.06Å; F367-R370 PolarHBondContact O-N 3.15Å; F367-R370 VanDerWaalsContact O-N 3.16Å; F367-V371 HydrophobicContact CD1-CG2 3.98Å; F367-V371 HydrophobicContact CE1-CG2 3.62Å; F367-V371 HydrophobicContact CE2-CG2 4.45Å; F367-V371 HydrophobicContact CZ-CG2 3.89Å; F367-V371 PolarHBondContact O-N 2.88Å; F367-V371 VanDerWaalsContact O-N 3.13Å |
| 368 | E | 94.6 | Very high | 93.2 | Very high | 61 Ų | 61 | 60.6 Ų | 60.6 | 29% | 0.285 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -52.2 | -43.5 | 174.2 | 175.1 | 177.6 | -95.5 | 0 | 0 | 113.1 | L364 T365 R370 V371 C372 L417 K421 | L364-E368 PolarHBondContact O-N 2.99Å; T365-E368 WeakPolarHBondContact O-CB 3.39Å; T365-E368 PolarHBondContact O-N 3.17Å; E368-R370 VanDerWaalsContact C-N 3.28Å; E368-R370 PolarHBondContact O-N 3.09Å; E368-V371 CarbonylContact O-C 3.5Å; E368-V371 WeakPolarHBondContact O-CA 3.48Å; E368-V371 WeakPolarHBondContact O-CB 3.38Å; E368-V371 PolarHBondContact O-N 3.29Å; E368-C372 PolarHBondContact O-N 3.24Å; E368-C372 PolarHBondContact O-SG 3.1Å; E368-L417 HydrophobicContact CB-CD2 3.92Å; E368-L417 HydrophobicContact CG-CD2 3.93Å; E368-K421 WeakPolarHBondContact OE1-CE 3.38Å; E368-K421 IonicContact OE1-NZ 2.75Å; E368-K421 PolarHBondContact OE1-NZ 3.15Å; E368-K421 IonicContact OE2-NZ 3.41Å; E368-K421 PolarHBondContact OE2-NZ 3.49Å |
| 369 | E | 92.8 | Very high | 93.8 | Very high | 123 Ų | 123 | 59.4 Ų | 59.4 | 58% | 0.575 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -52.5 | -46.3 | 178.1 | -63.8 | 173.5 | 143.8 | 0 | 0 | 112 | F367 V371 C372 E373 | F367-E369 VanDerWaalsContact C-N 3.31Å; F367-E369 PolarHBondContact O-N 3.06Å; E369-V371 VanDerWaalsContact C-N 3.35Å; E369-C372 PolarHBondContact O-N 3.42Å; E369-E373 PolarHBondContact O-N 3.27Å; E369-E373 VanDerWaalsContact O-N 3.14Å |
| 370 | R | 93.6 | Very high | 94.2 | Very high | 115 Ų | 115 | 56.1 Ų | 56.1 | 43% | 0.434 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -73 | -25 | 177.3 | -69.5 | 170.8 | -73.2 | -159.6 | -4.6 | 113.3 | S366 F367 E368 | S366-R370 VanDerWaalsContact O-CZ 3.26Å; S366-R370 PolarHBondContact O-NE 3.29Å; S366-R370 VanDerWaalsContact O-NE 3.13Å; S366-R370 PolarHBondContact O-NH2 2.75Å; F367-R370 PolarHBondContact O-N 3.15Å; F367-R370 VanDerWaalsContact O-N 3.16Å; E368-R370 VanDerWaalsContact C-N 3.28Å; E368-R370 PolarHBondContact O-N 3.09Å |
| 371 | V | 96.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -71.3 | -46.2 | 171.6 | 173.9 | 0 | 0 | 0 | 0 | 109.5 | L340 F367 E368 E369 E373 V374 L375 L413 L417 | L340-V371 HydrophobicContact CD1-CG2 4.24Å; L340-V371 HydrophobicContact CD2-CG2 4.08Å; F367-V371 HydrophobicContact CD1-CG2 3.98Å; F367-V371 HydrophobicContact CE1-CG2 3.62Å; F367-V371 HydrophobicContact CE2-CG2 4.45Å; F367-V371 HydrophobicContact CZ-CG2 3.89Å; F367-V371 PolarHBondContact O-N 2.88Å; F367-V371 VanDerWaalsContact O-N 3.13Å; E368-V371 CarbonylContact O-C 3.5Å; E368-V371 WeakPolarHBondContact O-CA 3.48Å; E368-V371 WeakPolarHBondContact O-CB 3.38Å; E368-V371 PolarHBondContact O-N 3.29Å; E369-V371 VanDerWaalsContact C-N 3.35Å; V371-E373 PolarHBondContact O-N 2.99Å; V371-V374 PolarHBondContact O-N 3.49Å; V371-V374 VanDerWaalsContact O-N 3.16Å; V371-L375 HydrophobicContact CG1-CD1 3.69Å; V371-L375 HydrophobicContact CG1-CG 4.03Å; V371-L375 VanDerWaalsContact O-CG 3.26Å; V371-L375 WeakPolarHBondContact O-CG 3.35Å; V371-L375 PolarHBondContact O-N 2.98Å; V371-L413 HydrophobicContact CG1-CD2 3.93Å; V371-L413 HydrophobicContact CG1-CG 3.98Å; V371-L417 HydrophobicContact CB-CD2 4.08Å; V371-L417 HydrophobicContact CG1-CD2 3.97Å; V371-L417 HydrophobicContact CG2-CD2 4.28Å |
| 372 | C | 96.1 | Very high | 95.1 | Very high | 60 Ų | 60 | 54.1 Ų | 54.1 | 41% | 0.405 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -56.2 | -47 | 175.8 | -68.1 | 0 | 0 | 0 | 0 | 112.3 | E368 E369 V374 L375 D376 | E368-C372 PolarHBondContact O-N 3.24Å; E368-C372 PolarHBondContact O-SG 3.1Å; E369-C372 PolarHBondContact O-N 3.42Å; C372-V374 VanDerWaalsContact C-N 3.28Å; C372-V374 PolarHBondContact O-N 2.87Å; C372-L375 PolarHBondContact O-N 2.71Å; C372-D376 PolarHBondContact O-N 3.49Å |
| 373 | E | 95.8 | Very high | 95.4 | Very high | 130 Ų | 130 | 57.7 Ų | 57.7 | 61% | 0.607 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -53.4 | -42.6 | 175.6 | -72.1 | 177.4 | 158.8 | 0 | 0 | 113 | E369 V371 R377 | E369-E373 PolarHBondContact O-N 3.27Å; E369-E373 VanDerWaalsContact O-N 3.14Å; V371-E373 PolarHBondContact O-N 2.99Å; E373-R377 WeakPolarHBondContact O-CG 3.37Å; E373-R377 PolarHBondContact O-N 2.91Å; E373-R377 VanDerWaalsContact O-N 3.14Å |
| 374 | V | 96.3 | Very high | 95.7 | Very high | 15 Ų | 15 | 56.2 Ų | 56.2 | 9% | 0.091 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -79.1 | -32.6 | -179.6 | 178.9 | 0 | 0 | 0 | 0 | 112 | L336 L337 L340 V371 C372 R377 A378 | L336-V374 HydrophobicContact CB-CG1 3.78Å; L336-V374 HydrophobicContact CB-CG2 4.29Å; L337-V374 HydrophobicContact CD2-CG1 3.8Å; L337-V374 HydrophobicContact CG-CG1 3.91Å; L340-V374 HydrophobicContact CD1-CB 3.62Å; L340-V374 HydrophobicContact CD1-CG1 3.94Å; L340-V374 HydrophobicContact CD1-CG2 3.72Å; V371-V374 PolarHBondContact O-N 3.49Å; V371-V374 VanDerWaalsContact O-N 3.16Å; C372-V374 VanDerWaalsContact C-N 3.28Å; C372-V374 PolarHBondContact O-N 2.87Å; V374-R377 PolarHBondContact O-N 2.76Å; V374-A378 WeakPolarHBondContact O-CB 3.42Å; V374-A378 PolarHBondContact O-N 3.34Å |
| 375 | L | 97.4 | Very high | 95.9 | Very high | 25 Ų | 25 | 56.2 Ų | 56.2 | 13% | 0.131 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.9 | -37.9 | 171.9 | -68.1 | 173.3 | 0 | 0 | 0 | 111.7 | L337 V371 C372 A378 S379 S410 | L337-L375 HydrophobicContact CD2-CD2 4.14Å; V371-L375 HydrophobicContact CG1-CD1 3.69Å; V371-L375 HydrophobicContact CG1-CG 4.03Å; V371-L375 VanDerWaalsContact O-CG 3.26Å; V371-L375 WeakPolarHBondContact O-CG 3.35Å; V371-L375 PolarHBondContact O-N 2.98Å; C372-L375 PolarHBondContact O-N 2.71Å; L375-A378 PolarHBondContact O-N 2.88Å; L375-S379 WeakPolarHBondContact O-CB 3.36Å; L375-S379 PolarHBondContact O-N 2.77Å; L375-S379 PolarHBondContact O-OG 2.8Å; L375-S410 VanDerWaalsContact CD2-CA 3.45Å; L375-S410 VanDerWaalsContact CD2-CB 3.46Å; L375-S410 WeakPolarHBondContact CD2-O 3.43Å |
| 376 | D | 97 | Very high | 96.1 | Very high | 116 Ų | 116 | 57 Ų | 57 | 62% | 0.62 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -66.1 | -42.7 | 173.2 | -83.1 | -27.1 | 0 | 0 | 0 | 111.4 | C372 A378 S379 A380 | C372-D376 PolarHBondContact O-N 3.49Å; D376-A378 PolarHBondContact O-N 2.98Å; D376-S379 PolarHBondContact O-N 3.22Å; D376-A380 WeakPolarHBondContact O-CB 3.5Å; D376-A380 PolarHBondContact O-N 2.87Å |
| 377 | R | 97.5 | Very high | 96.4 | Very high | 103 Ų | 103 | 58 Ų | 58 | 39% | 0.389 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.2 | -44 | 171.6 | -73.6 | -173.4 | 67.3 | -174 | -1.1 | 112.2 | E332 V333 L336 E373 V374 A380 L381 | E332-R377 IonicContact OE1-CZ 3.83Å; E332-R377 VanDerWaalsContact OE1-CZ 3.25Å; E332-R377 IonicContact OE1-NH1 3.26Å; E332-R377 PolarHBondContact OE1-NH1 2.78Å; E332-R377 IonicContact OE1-NH2 3.73Å; E332-R377 PolarHBondContact OE1-NH2 2.88Å; E332-R377 IonicContact OE2-CZ 2.66Å; E332-R377 IonicContact OE2-NH2 2.82Å; E332-R377 PolarHBondContact OE2-NH2 2.85Å; V333-R377 HydrophobicContact CG2-CB 4.32Å; L336-R377 VanDerWaalsContact CD1-NH1 3.34Å; E373-R377 WeakPolarHBondContact O-CG 3.37Å; E373-R377 PolarHBondContact O-N 2.91Å; E373-R377 VanDerWaalsContact O-N 3.14Å; V374-R377 PolarHBondContact O-N 2.76Å; R377-A380 PolarHBondContact O-N 3.11Å; R377-L381 WeakPolarHBondContact O-CB 3.31Å; R377-L381 PolarHBondContact O-N 3.33Å |
| 378 | A | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.9 | -37.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | V333 L337 V374 L375 D376 S382 | V333-A378 HydrophobicContact CG1-CB 3.72Å; L337-A378 HydrophobicContact CD1-CB 4.05Å; V374-A378 WeakPolarHBondContact O-CB 3.42Å; V374-A378 PolarHBondContact O-N 3.34Å; L375-A378 PolarHBondContact O-N 2.88Å; D376-A378 PolarHBondContact O-N 2.98Å; A378-S382 WeakPolarHBondContact O-CB 3.4Å; A378-S382 PolarHBondContact O-N 3.23Å; A378-S382 PolarHBondContact O-OG 3.39Å |
| 379 | S | 97.2 | Very high | 96.4 | Very high | 61 Ų | 61 | 56.9 Ų | 56.9 | 43% | 0.427 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -68.7 | -41.3 | 175.6 | -61.1 | 0 | 0 | 0 | 0 | 112.1 | L375 D376 R383 | L375-S379 WeakPolarHBondContact O-CB 3.36Å; L375-S379 PolarHBondContact O-N 2.77Å; L375-S379 PolarHBondContact O-OG 2.8Å; D376-S379 PolarHBondContact O-N 3.22Å; S379-R383 PolarHBondContact O-N 3.33Å; S379-R383 VanDerWaalsContact O-N 3.13Å |
| 380 | A | 97.6 | Very high | 96.5 | Very high | 39 Ų | 39 | 58.6 Ų | 58.6 | 32% | 0.322 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.5 | -45.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D376 R377 R383 E384 | D376-A380 WeakPolarHBondContact O-CB 3.5Å; D376-A380 PolarHBondContact O-N 2.87Å; R377-A380 PolarHBondContact O-N 3.11Å; A380-R383 WeakPolarHBondContact O-CB 3.15Å; A380-R383 PolarHBondContact O-N 3.04Å; A380-E384 PolarHBondContact O-N 3.25Å |
| 381 | L | 97.8 | Very high | 96.3 | Very high | 8 Ų | 8 | 59 Ų | 59 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.4 | -37 | 177.2 | 179.4 | 59.9 | 0 | 0 | 0 | 112.5 | F326 N329 V333 R377 R383 E384 G385 L406 | F326-L381 HydrophobicContact CD2-CD1 3.62Å; F326-L381 HydrophobicContact CD2-CG 4.42Å; F326-L381 HydrophobicContact CE2-CD1 3.8Å; F326-L381 HydrophobicContact CE2-CG 4.12Å; N329-L381 VanDerWaalsContact C-CD2 3.47Å; N329-L381 HydrophobicContact CB-CD1 3.71Å; N329-L381 HydrophobicContact CB-CD2 3.85Å; N329-L381 HydrophobicContact CB-CG 4.45Å; V333-L381 HydrophobicContact CB-CD2 4.23Å; V333-L381 HydrophobicContact CG2-CD2 4.09Å; R377-L381 WeakPolarHBondContact O-CB 3.31Å; R377-L381 PolarHBondContact O-N 3.33Å; L381-R383 VanDerWaalsContact C-N 3.29Å; L381-R383 PolarHBondContact O-N 3.2Å; L381-E384 HydrophobicContact CD1-CB 4.5Å; L381-E384 WeakPolarHBondContact CD1-OE2 3.37Å; L381-E384 WeakPolarHBondContact O-CB 3.23Å; L381-E384 PolarHBondContact O-N 2.67Å; L381-G385 PolarHBondContact O-N 2.95Å; L381-L406 HydrophobicContact CB-CD1 4.23Å; L381-L406 HydrophobicContact CD2-CD1 3.8Å; L381-L406 HydrophobicContact CG-CD1 3.94Å |
| 382 | S | 97.8 | Very high | 96 | Very high | 5 Ų | 5 | 63.4 Ų | 63.4 | 4% | 0.035 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.5 | -41.9 | 173.7 | -60.9 | 0 | 0 | 0 | 0 | 111.3 | A378 G385 D386 C403 L406 | A378-S382 WeakPolarHBondContact O-CB 3.4Å; A378-S382 PolarHBondContact O-N 3.23Å; A378-S382 PolarHBondContact O-OG 3.39Å; S382-G385 PolarHBondContact O-N 3.31Å; S382-D386 VanDerWaalsContact O-CG 3.23Å; S382-D386 PolarHBondContact O-N 2.87Å; S382-C403 PolarHBondContact O-SG 3.4Å; S382-L406 WeakPolarHBondContact OG-CB 3.47Å |
| 383 | R | 97.2 | Very high | 95.7 | Very high | 141 Ų | 141 | 60.7 Ų | 60.7 | 53% | 0.532 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.2 | -37.9 | 174.8 | -179.4 | 176.6 | 62.8 | -111.7 | -0.5 | 112.8 | S379 A380 L381 G385 D386 E387 | S379-R383 PolarHBondContact O-N 3.33Å; S379-R383 VanDerWaalsContact O-N 3.13Å; A380-R383 WeakPolarHBondContact O-CB 3.15Å; A380-R383 PolarHBondContact O-N 3.04Å; L381-R383 VanDerWaalsContact C-N 3.29Å; L381-R383 PolarHBondContact O-N 3.2Å; R383-G385 VanDerWaalsContact C-N 3.31Å; R383-G385 PolarHBondContact O-N 2.9Å; R383-D386 PolarHBondContact O-N 2.91Å; R383-E387 PolarHBondContact O-N 3.25Å |
| 384 | E | 97.2 | Very high | 95.3 | Very high | 72 Ų | 72 | 55.3 Ų | 55.3 | 34% | 0.336 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.1 | -45.7 | 171.9 | -172.9 | -167.6 | 155.1 | 0 | 0 | 110.8 | A380 L381 E387 L388 | A380-E384 PolarHBondContact O-N 3.25Å; L381-E384 HydrophobicContact CD1-CB 4.5Å; L381-E384 WeakPolarHBondContact CD1-OE2 3.37Å; L381-E384 WeakPolarHBondContact O-CB 3.23Å; L381-E384 PolarHBondContact O-N 2.67Å; E384-E387 WeakPolarHBondContact O-CB 3.29Å; E384-E387 PolarHBondContact O-N 2.75Å; E384-L388 WeakPolarHBondContact O-CG 3.47Å; E384-L388 PolarHBondContact O-N 3.05Å |
| 385 | G | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.1 | -40.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L381 S382 R383 E387 L388 I389 | L381-G385 PolarHBondContact O-N 2.95Å; S382-G385 PolarHBondContact O-N 3.31Å; R383-G385 VanDerWaalsContact C-N 3.31Å; R383-G385 PolarHBondContact O-N 2.9Å; G385-E387 VanDerWaalsContact C-N 3.32Å; G385-E387 PolarHBondContact O-N 2.88Å; G385-L388 PolarHBondContact O-N 2.95Å; G385-I389 WeakPolarHBondContact O-CG1 3.24Å; G385-I389 PolarHBondContact O-N 3.46Å |
| 386 | D | 96.3 | Very high | 94.6 | Very high | 60 Ų | 60 | 58.5 Ų | 58.5 | 32% | 0.321 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.5 | -38.8 | 174.9 | -64.4 | -33.9 | 0 | 0 | 0 | 111.8 | S382 R383 I389 Q390 R407 | S382-D386 VanDerWaalsContact O-CG 3.23Å; S382-D386 PolarHBondContact O-N 2.87Å; R383-D386 PolarHBondContact O-N 2.91Å; D386-I389 PolarHBondContact O-N 2.76Å; D386-Q390 PolarHBondContact O-N 2.93Å; D386-R407 IonicContact OD1-CZ 3.42Å; D386-R407 IonicContact OD1-NH2 2.7Å; D386-R407 PolarHBondContact OD1-NH2 2.8Å; D386-R407 IonicContact OD2-CZ 2.76Å; D386-R407 IonicContact OD2-NH2 3.37Å; D386-R407 PolarHBondContact OD2-NH2 2.68Å |
| 387 | E | 96.9 | Very high | 94.2 | Very high | 81 Ų | 81 | 59 Ų | 59 | 38% | 0.379 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.5 | -39.9 | 173.3 | -85.5 | -167.2 | -132.8 | 0 | 0 | 112.9 | R383 E384 G385 I389 Q390 K391 | R383-E387 PolarHBondContact O-N 3.25Å; E384-E387 WeakPolarHBondContact O-CB 3.29Å; E384-E387 PolarHBondContact O-N 2.75Å; G385-E387 VanDerWaalsContact C-N 3.32Å; G385-E387 PolarHBondContact O-N 2.88Å; E387-I389 VanDerWaalsContact C-N 3.34Å; E387-Q390 PolarHBondContact O-N 3.3Å; E387-K391 WeakPolarHBondContact O-CB 3.35Å; E387-K391 VanDerWaalsContact O-CD 3.27Å; E387-K391 WeakPolarHBondContact O-CD 3.48Å; E387-K391 WeakPolarHBondContact O-CG 3.35Å; E387-K391 PolarHBondContact O-N 3.04Å; E387-K391 IonicContact OE2-NZ 3.91Å; E387-K391 PolarHBondContact OE2-NZ 2.68Å |
| 388 | L | 95 | Very high | 93.9 | Very high | 12 Ų | 12 | 56 Ų | 56 | 6% | 0.063 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 174.1 | -69.2 | 172.6 | 0 | 0 | 0 | 110.5 | Q322 F326 E384 G385 K391 S392 H393 I399 | Q322-L388 HydrophobicContact CB-CD2 4.03Å; Q322-L388 HydrophobicContact CG-CD2 4.31Å; F326-L388 HydrophobicContact CB-CD1 4.33Å; E384-L388 WeakPolarHBondContact O-CG 3.47Å; E384-L388 PolarHBondContact O-N 3.05Å; G385-L388 PolarHBondContact O-N 2.95Å; L388-K391 CarbonylContact O-C 3.42Å; L388-K391 PolarHBondContact O-N 3.26Å; L388-S392 PolarHBondContact O-N 3.11Å; L388-H393 HydrophobicContact CB-CB 4.08Å; L388-H393 WeakPolarHBondContact O-CB 3.32Å; L388-H393 PolarHBondContact O-N 2.9Å; L388-H393 VanDerWaalsContact O-N 3.15Å; L388-I399 HydrophobicContact CB-CD1 4.05Å; L388-I399 HydrophobicContact CD1-CD1 4.05Å |
| 389 | I | 94.3 | Very high | 93.8 | Very high | 29 Ų | 29 | 56 Ų | 56 | 15% | 0.149 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61 | -46.2 | 176 | -68.1 | 166.9 | 0 | 0 | 0 | 110.8 | G385 D386 E387 K391 S392 E396 I399 Q400 | G385-I389 WeakPolarHBondContact O-CG1 3.24Å; G385-I389 PolarHBondContact O-N 3.46Å; D386-I389 PolarHBondContact O-N 2.76Å; E387-I389 VanDerWaalsContact C-N 3.34Å; I389-K391 PolarHBondContact O-N 3.35Å; I389-S392 WeakPolarHBondContact O-CA 3.38Å; I389-S392 PolarHBondContact O-N 2.82Å; I389-E396 HydrophobicContact CG1-CB 4.4Å; I389-E396 HydrophobicContact CG1-CG 4.18Å; I389-E396 HydrophobicContact CG2-CG 3.99Å; I389-I399 HydrophobicContact CD1-CB 4.23Å; I389-I399 HydrophobicContact CD1-CG2 3.85Å; I389-I399 HydrophobicContact CG1-CB 4.3Å; I389-I399 HydrophobicContact CG1-CG2 4.05Å; I389-Q400 HydrophobicContact CD1-CB 3.84Å; I389-Q400 VanDerWaalsContact CD1-OE1 3.27Å |
| 390 | Q | 94 | Very high | 93.7 | Very high | 159 Ų | 159 | 57 Ų | 57 | 74% | 0.743 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -58.9 | -35 | 176 | -168.8 | -177.4 | 14.4 | 0 | 0 | 112.4 | D386 E387 S392 | D386-Q390 PolarHBondContact O-N 2.93Å; E387-Q390 PolarHBondContact O-N 3.3Å; Q390-S392 PolarHBondContact O-N 3.47Å; Q390-S392 VanDerWaalsContact O-N 3.15Å |
| 391 | K | 90.7 | Very high | 93.6 | Very high | 124 Ų | 124 | 58.5 Ų | 58.5 | 54% | 0.539 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | 12.1 | 174.8 | -66 | 159.3 | -163 | 165.5 | 0 | 113.2 | E387 L388 I389 H393 | E387-K391 WeakPolarHBondContact O-CB 3.35Å; E387-K391 VanDerWaalsContact O-CD 3.27Å; E387-K391 WeakPolarHBondContact O-CD 3.48Å; E387-K391 WeakPolarHBondContact O-CG 3.35Å; E387-K391 PolarHBondContact O-N 3.04Å; E387-K391 IonicContact OE2-NZ 3.91Å; E387-K391 PolarHBondContact OE2-NZ 2.68Å; L388-K391 CarbonylContact O-C 3.42Å; L388-K391 PolarHBondContact O-N 3.26Å; I389-K391 PolarHBondContact O-N 3.35Å; K391-H393 PolarHBondContact O-N 3.26Å |
| 392 | S | 88.4 | Confident | 93.6 | Very high | 91 Ų | 91 | 60 Ų | 60 | 64% | 0.636 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 35.5 | -179.6 | -58.1 | 0 | 0 | 0 | 0 | 113.6 | L388 I389 Q390 | L388-S392 PolarHBondContact O-N 3.11Å; I389-S392 WeakPolarHBondContact O-CA 3.38Å; I389-S392 PolarHBondContact O-N 2.82Å; Q390-S392 PolarHBondContact O-N 3.47Å; Q390-S392 VanDerWaalsContact O-N 3.15Å |
| 393 | H | 90.8 | Very high | 93.6 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 1% | 0.014 | 30% | 0.299 | C | S | . | . | trans | -59.4 | 134.6 | -178.5 | 179.6 | -80.9 | 0 | 0 | 0 | 112 | Q319 L388 K391 A395 E396 I399 | Q319-H393 PolarHBondContact O-NE2 3.42Å; L388-H393 HydrophobicContact CB-CB 4.08Å; L388-H393 WeakPolarHBondContact O-CB 3.32Å; L388-H393 PolarHBondContact O-N 2.9Å; L388-H393 VanDerWaalsContact O-N 3.15Å; K391-H393 PolarHBondContact O-N 3.26Å; H393-A395 PolarHBondContact ND1-N 3.37Å; H393-A395 PolarHBondContact O-N 3.09Å; H393-E396 PolarHBondContact O-N 2.93Å; H393-E396 VanDerWaalsContact O-N 3.16Å; H393-I399 WeakPolarHBondContact ND1-CD1 3.5Å | ||
| 394 | Y | 86 | Confident | 93.6 | Very high | 17 Ų | 17 | 55.5 Ų | 55.5 | 7% | 0.067 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -21.4 | -166.7 | 78.3 | -103.1 | 0 | 0 | 0 | 115 | M1 L230 Q319 C320 L323 | M1-Y394 WeakPolarHBondContact CA-O 3.46Å; M1-Y394 HydrophobicContact CB-CD2 4.46Å; M1-Y394 WeakPolarHBondContact CB-O 3.27Å; M1-Y394 HydrophobicContact CE-CD2 3.64Å; M1-Y394 HydrophobicContact CE-CE2 3.54Å; M1-Y394 HydrophobicContact CG-CD2 4.2Å; M1-Y394 PolarHBondContact N-O 3.36Å; L230-Y394 HydrophobicContact CD1-CE1 4.34Å; L230-Y394 HydrophobicContact CD1-CE2 4.36Å; L230-Y394 WeakPolarHBondContact CD1-OH 3.38Å; Q319-Y394 HydrophobicContact CB-CD1 3.62Å; Q319-Y394 HydrophobicContact CB-CE1 3.74Å; C320-Y394 HydrophobicContact CB-CE1 4.45Å; L323-Y394 HydrophobicContact CD2-CE2 4.38Å; L323-Y394 WeakPolarHBondContact CD2-OH 3.41Å |
| 395 | A | 88.8 | Confident | 93.6 | Very high | 7 Ų | 7 | 55.7 Ų | 55.7 | 6% | 0.058 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 25.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115 | L323 H393 D397 S398 I399 | L323-A395 HydrophobicContact CD1-CB 4Å; L323-A395 HydrophobicContact CD2-CB 3.6Å; L323-A395 HydrophobicContact CG-CB 4.37Å; H393-A395 PolarHBondContact ND1-N 3.37Å; H393-A395 PolarHBondContact O-N 3.09Å; A395-D397 PolarHBondContact O-N 2.98Å; A395-D397 VanDerWaalsContact O-N 3.15Å; A395-S398 WeakPolarHBondContact O-CA 3.14Å; A395-S398 WeakPolarHBondContact O-CB 3.34Å; A395-S398 PolarHBondContact O-N 3.26Å; A395-I399 PolarHBondContact O-N 3.48Å; A395-I399 VanDerWaalsContact O-N 3.12Å |
| 396 | E | 91.2 | Very high | 93.6 | Very high | 100 Ų | 100 | 55.7 Ų | 55.7 | 47% | 0.467 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -37.4 | -49.8 | 170.1 | 175.1 | 178.4 | -172.7 | 0 | 0 | 113.1 | I389 H393 S398 I399 Q400 | I389-E396 HydrophobicContact CG1-CB 4.4Å; I389-E396 HydrophobicContact CG1-CG 4.18Å; I389-E396 HydrophobicContact CG2-CG 3.99Å; H393-E396 PolarHBondContact O-N 2.93Å; H393-E396 VanDerWaalsContact O-N 3.16Å; E396-S398 PolarHBondContact O-N 3.08Å; E396-I399 PolarHBondContact O-N 2.84Å; E396-Q400 WeakPolarHBondContact O-CB 3.22Å; E396-Q400 PolarHBondContact O-N 3.36Å |
| 397 | D | 88.5 | Confident | 93.6 | Very high | 126 Ų | 126 | 56.5 Ų | 56.5 | 67% | 0.674 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -54.6 | -24.1 | 178 | -52.4 | -71.5 | 0 | 0 | 0 | 114.5 | A395 P401 | A395-D397 PolarHBondContact O-N 2.98Å; A395-D397 VanDerWaalsContact O-N 3.15Å; D397-P401 VanDerWaalsContact O-CD 3.3Å; D397-P401 WeakPolarHBondContact O-CD 3.35Å; D397-P401 WeakPolarHBondContact O-CG 3.33Å |
| 398 | S | 91.3 | Very high | 93.6 | Very high | 40 Ų | 40 | 55.2 Ų | 55.2 | 28% | 0.28 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -102.5 | -22.8 | -179.5 | -168.6 | 0 | 0 | 0 | 0 | 113.3 | E327 A395 E396 K402 | E327-S398 PolarHBondContact OE1-OG 3.3Å; E327-S398 VanDerWaalsContact OE1-OG 3.05Å; A395-S398 WeakPolarHBondContact O-CA 3.14Å; A395-S398 WeakPolarHBondContact O-CB 3.34Å; A395-S398 PolarHBondContact O-N 3.26Å; E396-S398 PolarHBondContact O-N 3.08Å; S398-K402 WeakPolarHBondContact O-CG 3.4Å; S398-K402 PolarHBondContact O-NZ 3.14Å; S398-K402 PolarHBondContact OG-NZ 2.69Å |
| 399 | I | 94.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -87.1 | -49.4 | -178.9 | -64.6 | 171.6 | 0 | 0 | 0 | 109.9 | L323 F326 L388 I389 H393 A395 E396 K402 C403 | L323-I399 HydrophobicContact CD1-CD1 4.08Å; L323-I399 HydrophobicContact CD1-CG1 3.75Å; F326-I399 HydrophobicContact CD1-CG1 4.13Å; F326-I399 HydrophobicContact CD1-CG2 4.39Å; F326-I399 HydrophobicContact CE1-CB 4.21Å; F326-I399 HydrophobicContact CE1-CG1 4.17Å; F326-I399 HydrophobicContact CE1-CG2 3.85Å; F326-I399 HydrophobicContact CE2-CG2 4.31Å; F326-I399 HydrophobicContact CZ-CG2 3.81Å; L388-I399 HydrophobicContact CB-CD1 4.05Å; L388-I399 HydrophobicContact CD1-CD1 4.05Å; I389-I399 HydrophobicContact CD1-CB 4.23Å; I389-I399 HydrophobicContact CD1-CG2 3.85Å; I389-I399 HydrophobicContact CG1-CB 4.3Å; I389-I399 HydrophobicContact CG1-CG2 4.05Å; H393-I399 WeakPolarHBondContact ND1-CD1 3.5Å; A395-I399 PolarHBondContact O-N 3.48Å; A395-I399 VanDerWaalsContact O-N 3.12Å; E396-I399 PolarHBondContact O-N 2.84Å; I399-K402 WeakPolarHBondContact O-CB 3.35Å; I399-K402 PolarHBondContact O-N 2.76Å; I399-C403 PolarHBondContact O-N 2.65Å |
| 400 | Q | 96.1 | Very high | 93.8 | Very high | 82 Ų | 82 | 55.4 Ų | 55.4 | 38% | 0.383 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -53 | -45.8 | -178 | -177.5 | 61.1 | 9.2 | 0 | 0 | 114.6 | I389 E396 K402 S404 | I389-Q400 HydrophobicContact CD1-CB 3.84Å; I389-Q400 VanDerWaalsContact CD1-OE1 3.27Å; E396-Q400 WeakPolarHBondContact O-CB 3.22Å; E396-Q400 PolarHBondContact O-N 3.36Å; Q400-K402 VanDerWaalsContact C-N 3.34Å; Q400-K402 PolarHBondContact O-N 2.99Å; Q400-S404 WeakPolarHBondContact O-CB 3.44Å; Q400-S404 PolarHBondContact O-N 2.98Å; Q400-S404 PolarHBondContact O-OG 3.17Å |
| 401 | P | 96.1 | Very high | 93.9 | Very high | 71 Ų | 71 | 54.2 Ų | 54.2 | 46% | 0.461 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.5 | -36.1 | 176.1 | 24.9 | -34.4 | 0 | 0 | 0 | 112.4 | D397 S404 E405 | D397-P401 VanDerWaalsContact O-CD 3.3Å; D397-P401 WeakPolarHBondContact O-CD 3.35Å; D397-P401 WeakPolarHBondContact O-CG 3.33Å; P401-S404 PolarHBondContact O-N 3.17Å; P401-E405 WeakPolarHBondContact O-CB 3.21Å; P401-E405 PolarHBondContact O-N 3.2Å |
| 402 | K | 97.4 | Very high | 94.2 | Very high | 40 Ų | 40 | 51.7 Ų | 51.7 | 17% | 0.174 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.9 | -43.2 | 178.9 | -68 | -172.8 | -173.6 | 87.7 | 0 | 112.1 | F326 E327 Y330 S398 I399 Q400 S404 E405 L406 | F326-K402 HydrophobicContact CE1-CB 3.93Å; F326-K402 HydrophobicContact CE1-CD 4.04Å; F326-K402 HydrophobicContact CZ-CB 4.18Å; E327-K402 HydrophobicContact CG-CD 4.34Å; E327-K402 IonicContact OE1-NZ 3.5Å; E327-K402 PolarHBondContact OE1-NZ 3.41Å; Y330-K402 HydrophobicContact CD1-CD 3.83Å; Y330-K402 HydrophobicContact CD1-CG 4.36Å; Y330-K402 HydrophobicContact CD2-CB 3.75Å; Y330-K402 HydrophobicContact CD2-CD 4.21Å; Y330-K402 HydrophobicContact CD2-CG 4.23Å; Y330-K402 HydrophobicContact CE1-CD 4.09Å; Y330-K402 HydrophobicContact CE1-CG 4.18Å; Y330-K402 HydrophobicContact CE2-CB 3.65Å; Y330-K402 HydrophobicContact CE2-CD 4.45Å; Y330-K402 HydrophobicContact CE2-CG 4.06Å; Y330-K402 HydrophobicContact CG-CB 4.31Å; Y330-K402 HydrophobicContact CG-CD 3.9Å; Y330-K402 HydrophobicContact CG-CG 4.39Å; S398-K402 WeakPolarHBondContact O-CG 3.4Å; S398-K402 PolarHBondContact O-NZ 3.14Å; S398-K402 PolarHBondContact OG-NZ 2.69Å; I399-K402 WeakPolarHBondContact O-CB 3.35Å; I399-K402 PolarHBondContact O-N 2.76Å; Q400-K402 VanDerWaalsContact C-N 3.34Å; Q400-K402 PolarHBondContact O-N 2.99Å; K402-S404 VanDerWaalsContact C-N 3.28Å; K402-S404 PolarHBondContact O-N 3.04Å; K402-E405 PolarHBondContact O-N 3.32Å; K402-L406 WeakPolarHBondContact O-CG 3.34Å; K402-L406 PolarHBondContact O-N 3.33Å |
| 403 | C | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.4 | -39 | 171.7 | -61.6 | 0 | 0 | 0 | 0 | 111.7 | S382 I399 R407 | S382-C403 PolarHBondContact O-SG 3.4Å; I399-C403 PolarHBondContact O-N 2.65Å; C403-R407 WeakPolarHBondContact O-CG 3.34Å; C403-R407 PolarHBondContact O-N 2.98Å; C403-R407 PolarHBondContact O-NH1 2.71Å |
| 404 | S | 96.6 | Very high | 94.8 | Very high | 51 Ų | 51 | 50.2 Ų | 50.2 | 36% | 0.357 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.7 | -38.4 | 178 | -54.5 | 0 | 0 | 0 | 0 | 112.1 | Q400 P401 K402 A408 | Q400-S404 WeakPolarHBondContact O-CB 3.44Å; Q400-S404 PolarHBondContact O-N 2.98Å; Q400-S404 PolarHBondContact O-OG 3.17Å; P401-S404 PolarHBondContact O-N 3.17Å; K402-S404 VanDerWaalsContact C-N 3.28Å; K402-S404 PolarHBondContact O-N 3.04Å; S404-A408 WeakPolarHBondContact O-CB 3.27Å; S404-A408 PolarHBondContact O-N 3.29Å; S404-A408 VanDerWaalsContact O-N 3.09Å |
| 405 | E | 96.9 | Very high | 95.2 | Very high | 77 Ų | 77 | 53.1 Ų | 53.1 | 36% | 0.36 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.6 | -45.9 | 174.7 | -174.5 | 173.6 | 167.7 | 0 | 0 | 111.8 | Y330 R334 P401 K402 R407 A408 I409 | Y330-E405 PolarHBondContact OH-OE1 2.97Å; Y330-E405 PolarHBondContact OH-OE2 2.94Å; R334-E405 IonicContact CZ-OE1 2.72Å; R334-E405 VanDerWaalsContact CZ-OE1 3.23Å; R334-E405 IonicContact NE-OE1 3.11Å; R334-E405 PolarHBondContact NE-OE1 3.11Å; R334-E405 IonicContact NH2-OE1 2.7Å; R334-E405 PolarHBondContact NH2-OE1 3.1Å; P401-E405 WeakPolarHBondContact O-CB 3.21Å; P401-E405 PolarHBondContact O-N 3.2Å; K402-E405 PolarHBondContact O-N 3.32Å; E405-R407 VanDerWaalsContact C-N 3.33Å; E405-R407 PolarHBondContact O-N 3.09Å; E405-A408 PolarHBondContact O-N 3.23Å; E405-I409 HydrophobicContact CG-CD1 3.54Å; E405-I409 WeakPolarHBondContact O-CD1 3.48Å; E405-I409 PolarHBondContact O-N 3.06Å |
| 406 | L | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -56 | -46 | 175.6 | -74.1 | -176.7 | 0 | 0 | 0 | 112.1 | Y330 V333 L337 L381 S382 K402 S410 | Y330-L406 HydrophobicContact CD2-CD1 4.04Å; Y330-L406 HydrophobicContact CD2-CD2 3.91Å; Y330-L406 HydrophobicContact CD2-CG 3.83Å; Y330-L406 HydrophobicContact CE2-CD1 4.44Å; Y330-L406 HydrophobicContact CE2-CD2 3.78Å; Y330-L406 HydrophobicContact CE2-CG 3.74Å; V333-L406 HydrophobicContact CG1-CD2 4.23Å; L337-L406 HydrophobicContact CD1-CD2 4.06Å; L381-L406 HydrophobicContact CB-CD1 4.23Å; L381-L406 HydrophobicContact CD2-CD1 3.8Å; L381-L406 HydrophobicContact CG-CD1 3.94Å; S382-L406 WeakPolarHBondContact OG-CB 3.47Å; K402-L406 WeakPolarHBondContact O-CG 3.34Å; K402-L406 PolarHBondContact O-N 3.33Å; L406-S410 WeakPolarHBondContact O-CB 3.33Å; L406-S410 PolarHBondContact O-N 3.23Å; L406-S410 PolarHBondContact O-OG 3.32Å |
| 407 | R | 97.6 | Very high | 95.6 | Very high | 77 Ų | 77 | 51.1 Ų | 51.1 | 29% | 0.291 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.6 | -49 | 176.6 | -66.7 | 176.4 | -156.6 | 112 | -2.5 | 111.4 | D386 C403 E405 I409 S410 E411 | D386-R407 IonicContact OD1-CZ 3.42Å; D386-R407 IonicContact OD1-NH2 2.7Å; D386-R407 PolarHBondContact OD1-NH2 2.8Å; D386-R407 IonicContact OD2-CZ 2.76Å; D386-R407 IonicContact OD2-NH2 3.37Å; D386-R407 PolarHBondContact OD2-NH2 2.68Å; C403-R407 WeakPolarHBondContact O-CG 3.34Å; C403-R407 PolarHBondContact O-N 2.98Å; C403-R407 PolarHBondContact O-NH1 2.71Å; E405-R407 VanDerWaalsContact C-N 3.33Å; E405-R407 PolarHBondContact O-N 3.09Å; R407-I409 PolarHBondContact O-N 2.94Å; R407-S410 WeakPolarHBondContact O-CB 3.39Å; R407-S410 PolarHBondContact O-N 2.56Å; R407-S410 VanDerWaalsContact O-N 3.17Å; R407-E411 WeakPolarHBondContact O-CB 3.27Å; R407-E411 WeakPolarHBondContact O-CG 3.39Å; R407-E411 PolarHBondContact O-N 2.82Å |
| 408 | A | 96.6 | Very high | 95.8 | Very high | 53 Ų | 53 | 48 Ų | 48 | 44% | 0.438 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.5 | -41.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S404 E405 S412 | S404-A408 WeakPolarHBondContact O-CB 3.27Å; S404-A408 PolarHBondContact O-N 3.29Å; S404-A408 VanDerWaalsContact O-N 3.09Å; E405-A408 PolarHBondContact O-N 3.23Å; A408-S412 VanDerWaalsContact O-CB 3.31Å; A408-S412 WeakPolarHBondContact O-CB 3.28Å; A408-S412 PolarHBondContact O-N 3.43Å |
| 409 | I | 95.5 | Very high | 95.8 | Very high | 32 Ų | 32 | 50 Ų | 50 | 16% | 0.164 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -70.6 | -37.8 | 174.5 | -77.5 | 82.1 | 0 | 0 | 0 | 110.8 | L337 E405 R407 E411 S412 L413 | L337-I409 HydrophobicContact CB-CG2 3.86Å; L337-I409 HydrophobicContact CD1-CG2 4.09Å; L337-I409 HydrophobicContact CG-CG2 4.42Å; E405-I409 HydrophobicContact CG-CD1 3.54Å; E405-I409 WeakPolarHBondContact O-CD1 3.48Å; E405-I409 PolarHBondContact O-N 3.06Å; R407-I409 PolarHBondContact O-N 2.94Å; I409-E411 PolarHBondContact O-N 3.49Å; I409-S412 PolarHBondContact O-N 2.87Å; I409-L413 VanDerWaalsContact O-CB 3.32Å; I409-L413 WeakPolarHBondContact O-CB 3.41Å; I409-L413 PolarHBondContact O-N 3.38Å |
| 410 | S | 97.3 | Very high | 95.5 | Very high | 13 Ų | 13 | 50.9 Ų | 50.9 | 9% | 0.091 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.7 | -45.6 | 176.8 | -63 | 0 | 0 | 0 | 0 | 112.1 | L375 L406 R407 S414 | L375-S410 VanDerWaalsContact CD2-CA 3.45Å; L375-S410 VanDerWaalsContact CD2-CB 3.46Å; L375-S410 WeakPolarHBondContact CD2-O 3.43Å; L406-S410 WeakPolarHBondContact O-CB 3.33Å; L406-S410 PolarHBondContact O-N 3.23Å; L406-S410 PolarHBondContact O-OG 3.32Å; R407-S410 WeakPolarHBondContact O-CB 3.39Å; R407-S410 PolarHBondContact O-N 2.56Å; R407-S410 VanDerWaalsContact O-N 3.17Å; S410-S414 VanDerWaalsContact O-CB 3.29Å; S410-S414 WeakPolarHBondContact O-CB 3.37Å; S410-S414 PolarHBondContact O-N 3.44Å |
| 411 | E | 96.6 | Very high | 95.3 | Very high | 135 Ų | 135 | 48.2 Ų | 48.2 | 63% | 0.631 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -62.4 | -45.2 | 173.9 | -72.3 | 168.5 | -158.7 | 0 | 0 | 111.6 | R407 I409 S414 C415 | R407-E411 WeakPolarHBondContact O-CB 3.27Å; R407-E411 WeakPolarHBondContact O-CG 3.39Å; R407-E411 PolarHBondContact O-N 2.82Å; I409-E411 PolarHBondContact O-N 3.49Å; E411-S414 PolarHBondContact O-N 2.64Å; E411-C415 WeakPolarHBondContact O-CB 3.22Å; E411-C415 PolarHBondContact O-N 3.01Å |
| 412 | S | 96.2 | Very high | 94.9 | Very high | 71 Ų | 71 | 48.9 Ų | 48.9 | 50% | 0.497 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.1 | -44 | 179 | -172 | 0 | 0 | 0 | 0 | 113 | A408 I409 S416 | A408-S412 VanDerWaalsContact O-CB 3.31Å; A408-S412 WeakPolarHBondContact O-CB 3.28Å; A408-S412 PolarHBondContact O-N 3.43Å; I409-S412 PolarHBondContact O-N 2.87Å; S412-S416 VanDerWaalsContact O-CB 3.3Å; S412-S416 WeakPolarHBondContact O-CB 3.4Å; S412-S416 PolarHBondContact O-N 3.39Å; S412-S416 PolarHBondContact O-OG 2.7Å |
| 413 | L | 96.1 | Very high | 94.4 | Very high | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.016 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66 | -45.6 | 178.2 | 177.3 | 57.6 | 0 | 0 | 0 | 111.3 | L337 L340 L344 V371 I409 S416 L417 | L337-L413 HydrophobicContact CD2-CD2 3.79Å; L340-L413 HydrophobicContact CB-CD2 3.99Å; L340-L413 HydrophobicContact CD1-CD2 4.38Å; L344-L413 HydrophobicContact CB-CD1 4.48Å; L344-L413 HydrophobicContact CD2-CD1 3.75Å; V371-L413 HydrophobicContact CG1-CD2 3.93Å; V371-L413 HydrophobicContact CG1-CG 3.98Å; I409-L413 VanDerWaalsContact O-CB 3.32Å; I409-L413 WeakPolarHBondContact O-CB 3.41Å; I409-L413 PolarHBondContact O-N 3.38Å; L413-S416 PolarHBondContact O-N 2.77Å; L413-L417 WeakPolarHBondContact O-CB 3.26Å; L413-L417 PolarHBondContact O-N 3.38Å |
| 414 | S | 96.4 | Very high | 93.9 | Very high | 59 Ų | 59 | 49.8 Ų | 49.8 | 41% | 0.413 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62 | -45.8 | 176.3 | -175.3 | 0 | 0 | 0 | 0 | 112.2 | S410 E411 S416 L417 S418 | S410-S414 VanDerWaalsContact O-CB 3.29Å; S410-S414 WeakPolarHBondContact O-CB 3.37Å; S410-S414 PolarHBondContact O-N 3.44Å; E411-S414 PolarHBondContact O-N 2.64Å; S414-S416 PolarHBondContact O-N 2.72Å; S414-L417 PolarHBondContact O-N 3.49Å; S414-S418 PolarHBondContact O-N 3.38Å |
| 415 | C | 95.3 | Very high | 93.6 | Very high | 79 Ų | 79 | 51.2 Ų | 51.2 | 53% | 0.534 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62 | -43.5 | 176.5 | -173.8 | 0 | 0 | 0 | 0 | 112.2 | E411 L417 S418 T419 | E411-C415 WeakPolarHBondContact O-CB 3.22Å; E411-C415 PolarHBondContact O-N 3.01Å; C415-L417 VanDerWaalsContact C-N 3.34Å; C415-L417 PolarHBondContact O-N 3.11Å; C415-S418 PolarHBondContact O-N 3.35Å; C415-T419 WeakPolarHBondContact O-CB 3.36Å; C415-T419 PolarHBondContact O-N 2.84Å; C415-T419 PolarHBondContact O-OG1 2.79Å |
| 416 | S | 93.7 | Very high | 93.2 | Very high | 57 Ų | 57 | 53.9 Ų | 53.9 | 40% | 0.399 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 176.1 | -60.6 | 0 | 0 | 0 | 0 | 111.8 | S412 L413 S414 K420 | S412-S416 VanDerWaalsContact O-CB 3.3Å; S412-S416 WeakPolarHBondContact O-CB 3.4Å; S412-S416 PolarHBondContact O-N 3.39Å; S412-S416 PolarHBondContact O-OG 2.7Å; L413-S416 PolarHBondContact O-N 2.77Å; S414-S416 PolarHBondContact O-N 2.72Å; S416-K420 VanDerWaalsContact O-CB 3.26Å; S416-K420 WeakPolarHBondContact O-CB 3.45Å; S416-K420 PolarHBondContact O-N 2.73Å |
| 417 | L | 94.1 | Very high | 92.7 | Very high | 8 Ų | 8 | 53.9 Ų | 53.9 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.6 | -46.1 | 178.9 | 177.3 | 60.3 | 0 | 0 | 0 | 111.8 | L344 L364 E368 V371 L413 S414 C415 K420 K421 | L344-L417 HydrophobicContact CD1-CD1 3.85Å; L344-L417 HydrophobicContact CD2-CB 4.03Å; L364-L417 HydrophobicContact CD1-CD1 3.61Å; L364-L417 HydrophobicContact CG-CD1 4.03Å; E368-L417 HydrophobicContact CB-CD2 3.92Å; E368-L417 HydrophobicContact CG-CD2 3.93Å; V371-L417 HydrophobicContact CB-CD2 4.08Å; V371-L417 HydrophobicContact CG1-CD2 3.97Å; V371-L417 HydrophobicContact CG2-CD2 4.28Å; L413-L417 WeakPolarHBondContact O-CB 3.26Å; L413-L417 PolarHBondContact O-N 3.38Å; S414-L417 PolarHBondContact O-N 3.49Å; C415-L417 VanDerWaalsContact C-N 3.34Å; C415-L417 PolarHBondContact O-N 3.11Å; L417-K420 PolarHBondContact O-N 2.87Å; L417-K421 PolarHBondContact O-N 2.85Å |
| 418 | S | 92.7 | Very high | 92.1 | Very high | 60 Ų | 60 | 51.6 Ų | 51.6 | 42% | 0.42 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.6 | -54.1 | 173.9 | -168.4 | 0 | 0 | 0 | 0 | 110.5 | S414 C415 K420 K421 D422 | S414-S418 PolarHBondContact O-N 3.38Å; C415-S418 PolarHBondContact O-N 3.35Å; S418-K420 PolarHBondContact O-N 2.95Å; S418-K420 VanDerWaalsContact O-N 3.16Å; S418-K421 CarbonylContact O-C 3.54Å; S418-K421 WeakPolarHBondContact O-CA 3.29Å; S418-K421 WeakPolarHBondContact O-CB 3.29Å; S418-K421 PolarHBondContact O-N 3.02Å; S418-D422 PolarHBondContact O-N 2.87Å; S418-D422 PolarHBondContact OG-OD2 2.92Å; S418-D422 VanDerWaalsContact OG-OD2 3.07Å |
| 419 | T | 90.5 | Very high | 91.7 | Very high | 82 Ų | 82 | 52.7 Ų | 52.7 | 50% | 0.503 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -54.2 | -41.3 | -178.8 | -55.4 | 0 | 0 | 0 | 0 | 111.7 | C415 D422 Y423 | C415-T419 WeakPolarHBondContact O-CB 3.36Å; C415-T419 PolarHBondContact O-N 2.84Å; C415-T419 PolarHBondContact O-OG1 2.79Å; T419-D422 PolarHBondContact O-N 3.48Å; T419-Y423 WeakPolarHBondContact O-CB 3.48Å; T419-Y423 PolarHBondContact O-N 2.7Å |
| 420 | K | 89.7 | Confident | 91.4 | Very high | 19 Ų | 19 | 51.2 Ų | 51.2 | 8% | 0.083 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -73.1 | -33 | -179.9 | -162 | 146.2 | -179.2 | 157.5 | 0 | 113 | L344 V345 F347 E349 L364 S416 L417 S418 L424 | L344-K420 HydrophobicContact CD1-CD 4.23Å; L344-K420 WeakPolarHBondContact O-CE 3.41Å; L344-K420 PolarHBondContact O-NZ 3.02Å; V345-K420 PolarHBondContact O-NZ 3.09Å; V345-K420 VanDerWaalsContact O-NZ 3.14Å; F347-K420 WeakPolarHBondContact O-CE 3.34Å; F347-K420 PolarHBondContact O-NZ 2.96Å; E349-K420 HydrophobicContact CG-CD 4.17Å; E349-K420 VanDerWaalsContact CG-CE 3.46Å; E349-K420 HydrophobicContact CG-CG 4.31Å; E349-K420 WeakPolarHBondContact OE1-CE 3.29Å; E349-K420 IonicContact OE1-NZ 2.65Å; E349-K420 PolarHBondContact OE1-NZ 3.22Å; L364-K420 HydrophobicContact CD2-CG 4.42Å; S416-K420 VanDerWaalsContact O-CB 3.26Å; S416-K420 WeakPolarHBondContact O-CB 3.45Å; S416-K420 PolarHBondContact O-N 2.73Å; L417-K420 PolarHBondContact O-N 2.87Å; S418-K420 PolarHBondContact O-N 2.95Å; S418-K420 VanDerWaalsContact O-N 3.16Å; K420-L424 PolarHBondContact O-N 3.5Å |
| 421 | K | 90.2 | Very high | 90.9 | Very high | 26 Ų | 26 | 51 Ų | 51 | 11% | 0.113 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.5 | -47.3 | 168.1 | -85.9 | -171.6 | 165.3 | -170.2 | 0 | 112.2 | F361 L364 E368 L417 S418 Y423 L424 L425 | F361-K421 HydrophobicContact CE2-CB 4.28Å; F361-K421 HydrophobicContact CE2-CD 4.39Å; F361-K421 HydrophobicContact CE2-CG 4.09Å; L364-K421 HydrophobicContact CD2-CB 4.47Å; L364-K421 HydrophobicContact CD2-CG 3.63Å; L364-K421 HydrophobicContact CG-CG 4.06Å; E368-K421 WeakPolarHBondContact OE1-CE 3.38Å; E368-K421 IonicContact OE1-NZ 2.75Å; E368-K421 PolarHBondContact OE1-NZ 3.15Å; E368-K421 IonicContact OE2-NZ 3.41Å; E368-K421 PolarHBondContact OE2-NZ 3.49Å; L417-K421 PolarHBondContact O-N 2.85Å; S418-K421 CarbonylContact O-C 3.54Å; S418-K421 WeakPolarHBondContact O-CA 3.29Å; S418-K421 WeakPolarHBondContact O-CB 3.29Å; S418-K421 PolarHBondContact O-N 3.02Å; K421-Y423 VanDerWaalsContact C-N 3.31Å; K421-Y423 PolarHBondContact O-N 3.34Å; K421-L424 PolarHBondContact O-N 3.16Å; K421-L425 WeakPolarHBondContact O-CG 3.49Å; K421-L425 PolarHBondContact O-N 3.14Å |
| 422 | D | 88.8 | Confident | 90.5 | Very high | 84 Ų | 84 | 51.7 Ų | 51.7 | 45% | 0.449 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.2 | -42.3 | 179.9 | -69.3 | -49.4 | 0 | 0 | 0 | 111 | S418 T419 L425 R426 | S418-D422 PolarHBondContact O-N 2.87Å; S418-D422 PolarHBondContact OG-OD2 2.92Å; S418-D422 VanDerWaalsContact OG-OD2 3.07Å; T419-D422 PolarHBondContact O-N 3.48Å; D422-L425 PolarHBondContact O-N 3.16Å; D422-R426 VanDerWaalsContact O-CG 3.29Å; D422-R426 WeakPolarHBondContact O-CG 3.15Å; D422-R426 PolarHBondContact O-N 3.26Å |
| 423 | Y | 87.4 | Confident | 90.1 | Very high | 60 Ų | 60 | 50.6 Ų | 50.6 | 24% | 0.235 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.1 | -48.4 | 173.2 | -164 | -79.3 | 0 | 0 | 0 | 112.4 | E349 V350 T419 K421 R426 A427 E493 V494 | E349-Y423 HydrophobicContact CB-CD1 4.02Å; E349-Y423 HydrophobicContact CB-CE1 3.88Å; E349-Y423 VanDerWaalsContact O-CD1 3.25Å; E349-Y423 WeakPolarHBondContact O-CD1 3.45Å; E349-Y423 VanDerWaalsContact O-CE1 3.32Å; E349-Y423 WeakPolarHBondContact O-CE1 3.39Å; V350-Y423 HydrophobicContact CG2-CE1 4.2Å; T419-Y423 WeakPolarHBondContact O-CB 3.48Å; T419-Y423 PolarHBondContact O-N 2.7Å; K421-Y423 VanDerWaalsContact C-N 3.31Å; K421-Y423 PolarHBondContact O-N 3.34Å; Y423-R426 PolarHBondContact O-N 3.25Å; Y423-A427 WeakPolarHBondContact O-CB 3.44Å; Y423-A427 PolarHBondContact O-N 2.88Å; Y423-E493 WeakPolarHBondContact CE2-O 3.32Å; Y423-E493 PolarHBondContact OH-O 2.92Å; Y423-V494 HydrophobicContact CD1-CG1 4.34Å; Y423-V494 HydrophobicContact CD1-CG2 4.29Å; Y423-V494 HydrophobicContact CD2-CG2 4.09Å; Y423-V494 HydrophobicContact CE1-CB 4.38Å; Y423-V494 HydrophobicContact CE1-CG1 3.9Å; Y423-V494 HydrophobicContact CE1-CG2 4.25Å; Y423-V494 HydrophobicContact CE2-CG2 4.07Å; Y423-V494 HydrophobicContact CG-CG2 4.21Å |
| 424 | L | 87.6 | Confident | 89.8 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.1 | -40.1 | 178.2 | -81.9 | 165.1 | 0 | 0 | 0 | 112.6 | I360 F361 L364 K420 K421 R426 A427 M428 | I360-L424 HydrophobicContact CG2-CD1 3.72Å; I360-L424 HydrophobicContact CG2-CD2 4.12Å; F361-L424 HydrophobicContact CD2-CB 4.36Å; L364-L424 HydrophobicContact CD2-CD1 3.65Å; K420-L424 PolarHBondContact O-N 3.5Å; K421-L424 PolarHBondContact O-N 3.16Å; L424-R426 VanDerWaalsContact C-N 3.33Å; L424-R426 PolarHBondContact O-N 3.36Å; L424-A427 WeakPolarHBondContact O-CB 3.26Å; L424-A427 PolarHBondContact O-N 3.37Å; L424-M428 WeakPolarHBondContact O-CB 3.43Å; L424-M428 VanDerWaalsContact O-CG 3.28Å; L424-M428 WeakPolarHBondContact O-CG 3.22Å; L424-M428 PolarHBondContact O-N 3.14Å |
| 425 | L | 88.9 | Confident | 89.4 | Confident | 80 Ų | 80 | 53.3 Ų | 53.3 | 42% | 0.419 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 174.8 | -73.9 | 169.5 | 0 | 0 | 0 | 111.7 | F361 K421 D422 M428 E429 | F361-L425 HydrophobicContact CD2-CD2 4.18Å; F361-L425 HydrophobicContact CD2-CG 4.2Å; F361-L425 HydrophobicContact CE1-CD2 4.27Å; F361-L425 HydrophobicContact CE2-CD1 3.99Å; F361-L425 HydrophobicContact CE2-CD2 3.65Å; F361-L425 HydrophobicContact CE2-CG 3.58Å; F361-L425 HydrophobicContact CZ-CD1 4.24Å; F361-L425 HydrophobicContact CZ-CD2 3.71Å; F361-L425 HydrophobicContact CZ-CG 4.06Å; K421-L425 WeakPolarHBondContact O-CG 3.49Å; K421-L425 PolarHBondContact O-N 3.14Å; D422-L425 PolarHBondContact O-N 3.16Å; L425-M428 PolarHBondContact O-N 3.35Å; L425-E429 PolarHBondContact O-N 2.96Å; L425-E429 VanDerWaalsContact O-N 3.09Å |
| 426 | R | 88 | Confident | 89 | Confident | 134 Ų | 134 | 53.4 Ų | 53.4 | 51% | 0.506 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.4 | -39.2 | 173.6 | -70.9 | -70.9 | -172.2 | 154.7 | 5.2 | 112.2 | D422 Y423 L424 E429 L430 V494 | D422-R426 VanDerWaalsContact O-CG 3.29Å; D422-R426 WeakPolarHBondContact O-CG 3.15Å; D422-R426 PolarHBondContact O-N 3.26Å; Y423-R426 PolarHBondContact O-N 3.25Å; L424-R426 VanDerWaalsContact C-N 3.33Å; L424-R426 PolarHBondContact O-N 3.36Å; R426-E429 PolarHBondContact O-N 3.43Å; R426-L430 PolarHBondContact O-N 3.42Å; R426-L430 VanDerWaalsContact O-N 3.14Å; R426-V494 HydrophobicContact CB-CG2 3.7Å |
| 427 | A | 86.9 | Confident | 88.9 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.3 | -40.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y423 L424 L430 H431 V494 F499 | Y423-A427 WeakPolarHBondContact O-CB 3.44Å; Y423-A427 PolarHBondContact O-N 2.88Å; L424-A427 WeakPolarHBondContact O-CB 3.26Å; L424-A427 PolarHBondContact O-N 3.37Å; A427-L430 PolarHBondContact O-N 3.48Å; A427-H431 WeakPolarHBondContact O-CB 3.38Å; A427-H431 PolarHBondContact O-CD2 2.97Å; A427-H431 PolarHBondContact O-N 3.35Å; A427-V494 HydrophobicContact CB-CG1 3.62Å; A427-F499 HydrophobicContact CB-CE2 4.05Å; A427-F499 HydrophobicContact CB-CZ 3.97Å |
| 428 | M | 86.7 | Confident | 88.7 | Confident | 29 Ų | 29 | 51.9 Ų | 51.9 | 14% | 0.143 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.6 | -41.3 | 177.7 | -73.4 | 171.5 | 70.4 | 0 | 0 | 112.1 | A357 D358 F361 L424 L425 H431 R432 | A357-M428 HydrophobicContact CB-CG 3.58Å; A357-M428 HydrophobicContact CB-SD 4.5Å; D358-M428 HydrophobicContact CB-CE 3.95Å; D358-M428 WeakPolarHBondContact OD1-CE 3.2Å; F361-M428 HydrophobicContact CB-SD 3.77Å; F361-M428 HydrophobicContact CG-SD 4.08Å; L424-M428 WeakPolarHBondContact O-CB 3.43Å; L424-M428 VanDerWaalsContact O-CG 3.28Å; L424-M428 WeakPolarHBondContact O-CG 3.22Å; L424-M428 PolarHBondContact O-N 3.14Å; L425-M428 PolarHBondContact O-N 3.35Å; M428-H431 WeakPolarHBondContact O-CB 3.2Å; M428-H431 PolarHBondContact O-N 3.36Å; M428-R432 WeakPolarHBondContact O-CG 3.5Å; M428-R432 PolarHBondContact O-N 3.13Å |
| 429 | E | 88.3 | Confident | 88.6 | Confident | 75 Ų | 75 | 55.2 Ų | 55.2 | 35% | 0.35 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -68.6 | -37.4 | 176 | -179.5 | 51.6 | -151.3 | 0 | 0 | 112.3 | L425 R426 H431 R432 R433 R436 | L425-E429 PolarHBondContact O-N 2.96Å; L425-E429 VanDerWaalsContact O-N 3.09Å; R426-E429 PolarHBondContact O-N 3.43Å; E429-H431 PolarHBondContact O-N 3.28Å; E429-R432 PolarHBondContact O-N 3.3Å; E429-R433 WeakPolarHBondContact O-CB 3.49Å; E429-R433 PolarHBondContact O-N 3.26Å; E429-R436 IonicContact OE1-NH2 3.8Å; E429-R436 PolarHBondContact OE1-NH2 3.04Å |
| 430 | L | 88 | Confident | 88.6 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.2 | -46 | 172.1 | -178.5 | 55.9 | 0 | 0 | 0 | 111.2 | R426 A427 R432 R433 L434 I487 Y491 L495 F499 V503 | R426-L430 PolarHBondContact O-N 3.42Å; R426-L430 VanDerWaalsContact O-N 3.14Å; A427-L430 PolarHBondContact O-N 3.48Å; L430-R432 PolarHBondContact O-N 3.05Å; L430-R433 PolarHBondContact O-N 2.88Å; L430-L434 HydrophobicContact CD1-CD1 4.13Å; L430-L434 HydrophobicContact CD1-CG 4.19Å; L430-L434 HydrophobicContact CG-CD1 4.07Å; L430-L434 WeakPolarHBondContact O-CB 3.47Å; L430-L434 WeakPolarHBondContact O-CG 3.15Å; L430-L434 PolarHBondContact O-N 3.43Å; L430-I487 HydrophobicContact CD1-CG2 4.49Å; L430-Y491 HydrophobicContact CB-CD1 3.77Å; L430-Y491 HydrophobicContact CB-CE1 3.81Å; L430-Y491 HydrophobicContact CB-CG 4.33Å; L430-Y491 HydrophobicContact CD1-CD1 4.31Å; L430-Y491 HydrophobicContact CD1-CD2 3.95Å; L430-Y491 HydrophobicContact CD1-CE1 4.4Å; L430-Y491 HydrophobicContact CD1-CE2 4.06Å; L430-Y491 HydrophobicContact CD1-CG 4.07Å; L430-Y491 HydrophobicContact CD2-CD1 4.43Å; L430-Y491 HydrophobicContact CD2-CG 4.27Å; L430-Y491 HydrophobicContact CG-CD1 4.38Å; L430-Y491 HydrophobicContact CG-CG 4.46Å; L430-L495 HydrophobicContact CD2-CD2 4.28Å; L430-F499 HydrophobicContact CD2-CB 4.14Å; L430-F499 HydrophobicContact CD2-CD1 3.65Å; L430-F499 HydrophobicContact CD2-CD2 4.32Å; L430-F499 HydrophobicContact CD2-CE1 4.02Å; L430-F499 HydrophobicContact CD2-CG 3.82Å; L430-F499 HydrophobicContact CD2-CZ 4.49Å; L430-F499 HydrophobicContact CG-CD1 4.11Å; L430-F499 HydrophobicContact CG-CE1 4.18Å; L430-V503 HydrophobicContact CD1-CG2 4.37Å |
| 431 | H | 87.3 | Confident | 88.7 | Confident | 8 Ų | 8 | 51 Ų | 51 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -54.8 | -49.4 | 172.5 | -93.5 | -51.9 | 0 | 0 | 0 | 112.3 | G351 P354 A427 M428 E429 R433 L434 E435 F499 | G351-H431 PolarHBondContact O-NE2 3.3Å; P354-H431 HydrophobicContact CB-CB 4.16Å; P354-H431 HydrophobicContact CG-CB 3.99Å; A427-H431 WeakPolarHBondContact O-CB 3.38Å; A427-H431 PolarHBondContact O-CD2 2.97Å; A427-H431 PolarHBondContact O-N 3.35Å; M428-H431 WeakPolarHBondContact O-CB 3.2Å; M428-H431 PolarHBondContact O-N 3.36Å; E429-H431 PolarHBondContact O-N 3.28Å; H431-R433 VanDerWaalsContact C-N 3.32Å; H431-R433 PolarHBondContact O-N 2.87Å; H431-L434 PolarHBondContact O-N 3.33Å; H431-E435 WeakPolarHBondContact O-CB 3.37Å; H431-E435 PolarHBondContact O-N 2.86Å; H431-F499 AromaticContact CD2-CE1 3.7Å; H431-F499 AromaticContact CD2-CZ 3.61Å; H431-F499 AromaticContact CE1-CE1 3.57Å; H431-F499 AromaticContact CG-CE1 3.94Å; H431-F499 AromaticContact ND1-CE1 3.91Å; H431-F499 AromaticContact NE2-CE1 3.46Å; H431-F499 WeakPolarHBondContact NE2-CE1 3.41Å; H431-F499 AromaticContact NE2-CZ 3.45Å; H431-F499 WeakPolarHBondContact NE2-CZ 3.42Å |
| 432 | R | 87.7 | Confident | 88.8 | Confident | 150 Ų | 150 | 53 Ų | 53 | 57% | 0.566 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -66.6 | -29.2 | 179 | -69.7 | -179.4 | 74.3 | 77.2 | 3.4 | 113.5 | M428 E429 L430 R436 | M428-R432 WeakPolarHBondContact O-CG 3.5Å; M428-R432 PolarHBondContact O-N 3.13Å; E429-R432 PolarHBondContact O-N 3.3Å; L430-R432 PolarHBondContact O-N 3.05Å; R432-R436 WeakPolarHBondContact O-CB 3.15Å; R432-R436 WeakPolarHBondContact O-CG 3.32Å; R432-R436 PolarHBondContact O-N 2.92Å; R432-R436 PolarHBondContact O-NE 3.24Å; R432-R436 VanDerWaalsContact O-NE 3.16Å |
| 433 | R | 88.3 | Confident | 88.9 | Confident | 47 Ų | 47 | 52.5 Ų | 52.5 | 18% | 0.177 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -74.9 | -41.3 | 174.6 | -171.6 | 169.9 | 176.5 | 171.4 | -9.9 | 111.5 | E429 L430 H431 A437 L481 E490 Y491 | E429-R433 WeakPolarHBondContact O-CB 3.49Å; E429-R433 PolarHBondContact O-N 3.26Å; L430-R433 PolarHBondContact O-N 2.88Å; H431-R433 VanDerWaalsContact C-N 3.32Å; H431-R433 PolarHBondContact O-N 2.87Å; R433-A437 WeakPolarHBondContact O-CB 3.39Å; R433-A437 PolarHBondContact O-N 3.28Å; R433-L481 HydrophobicContact CG-CD2 4.46Å; R433-E490 IonicContact CZ-OE1 2.74Å; R433-E490 IonicContact CZ-OE2 2.75Å; R433-E490 VanDerWaalsContact CZ-OE2 3.25Å; R433-E490 IonicContact NH1-OE1 3.18Å; R433-E490 PolarHBondContact NH1-OE1 3.21Å; R433-E490 IonicContact NH1-OE2 3.86Å; R433-E490 PolarHBondContact NH1-OE2 3.46Å; R433-E490 IonicContact NH2-OE1 2.77Å; R433-E490 IonicContact NH2-OE2 2.68Å; R433-E490 PolarHBondContact NH2-OE2 3.25Å; R433-Y491 VanDerWaalsContact CD-OH 3.24Å; R433-Y491 WeakPolarHBondContact CD-OH 3.39Å; R433-Y491 PolarHBondContact NH1-OH 3.48Å |
| 434 | L | 88.4 | Confident | 89.1 | Confident | 11 Ų | 11 | 49.7 Ų | 49.7 | 6% | 0.058 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.4 | -37.6 | 174.4 | -70.3 | 172.5 | 0 | 0 | 0 | 112.7 | L430 H431 A437 S438 L481 F499 Q502 V503 V506 | L430-L434 HydrophobicContact CD1-CD1 4.13Å; L430-L434 HydrophobicContact CD1-CG 4.19Å; L430-L434 HydrophobicContact CG-CD1 4.07Å; L430-L434 WeakPolarHBondContact O-CB 3.47Å; L430-L434 WeakPolarHBondContact O-CG 3.15Å; L430-L434 PolarHBondContact O-N 3.43Å; H431-L434 PolarHBondContact O-N 3.33Å; L434-A437 PolarHBondContact O-N 3.46Å; L434-S438 PolarHBondContact O-N 3Å; L434-L481 HydrophobicContact CD2-CD1 4.13Å; L434-F499 HydrophobicContact CD1-CD1 4.45Å; L434-Q502 HydrophobicContact CD1-CB 4.3Å; L434-V503 HydrophobicContact CD1-CG2 3.98Å; L434-V503 HydrophobicContact CD2-CB 4.41Å; L434-V503 HydrophobicContact CD2-CG2 3.95Å; L434-V503 HydrophobicContact CG-CG2 4.48Å; L434-V506 HydrophobicContact CD2-CB 4.27Å; L434-V506 HydrophobicContact CD2-CG2 4.33Å |
| 435 | E | 88.1 | Confident | 89.2 | Confident | 109 Ų | 109 | 52.1 Ų | 52.1 | 51% | 0.509 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.3 | -46.8 | 175.1 | -174.5 | 176.4 | -112.9 | 0 | 0 | 111.7 | H431 A437 S438 K439 | H431-E435 WeakPolarHBondContact O-CB 3.37Å; H431-E435 PolarHBondContact O-N 2.86Å; E435-A437 VanDerWaalsContact C-N 3.32Å; E435-A437 PolarHBondContact O-N 2.96Å; E435-S438 PolarHBondContact O-N 3.36Å; E435-K439 WeakPolarHBondContact O-CB 3.37Å; E435-K439 PolarHBondContact O-N 3.31Å |
| 436 | R | 88.9 | Confident | 89.3 | Confident | 80 Ų | 80 | 56.2 Ų | 56.2 | 30% | 0.302 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -55.4 | -46.6 | 172.1 | -80.8 | -177.6 | -74.5 | 168.1 | -7.1 | 111.9 | E429 R432 K439 W440 | E429-R436 IonicContact OE1-NH2 3.8Å; E429-R436 PolarHBondContact OE1-NH2 3.04Å; R432-R436 WeakPolarHBondContact O-CB 3.15Å; R432-R436 WeakPolarHBondContact O-CG 3.32Å; R432-R436 PolarHBondContact O-N 2.92Å; R432-R436 PolarHBondContact O-NE 3.24Å; R432-R436 VanDerWaalsContact O-NE 3.16Å; R436-K439 PolarHBondContact O-N 3.34Å; R436-W440 WeakPolarHBondContact O-CB 3.39Å; R436-W440 PolarHBondContact O-N 3.16Å |
| 437 | A | 89.9 | Confident | 89.4 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67 | -47.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R433 L434 E435 K439 W440 V441 N479 L481 V506 | R433-A437 WeakPolarHBondContact O-CB 3.39Å; R433-A437 PolarHBondContact O-N 3.28Å; L434-A437 PolarHBondContact O-N 3.46Å; E435-A437 VanDerWaalsContact C-N 3.32Å; E435-A437 PolarHBondContact O-N 2.96Å; A437-K439 VanDerWaalsContact C-N 3.31Å; A437-K439 PolarHBondContact O-N 3.49Å; A437-W440 PolarHBondContact O-N 3.05Å; A437-V441 WeakPolarHBondContact O-CB 3.5Å; A437-V441 VanDerWaalsContact O-CG2 3.27Å; A437-V441 WeakPolarHBondContact O-CG2 3.41Å; A437-V441 PolarHBondContact O-N 3.46Å; A437-N479 WeakPolarHBondContact CA-O 3.5Å; A437-N479 VanDerWaalsContact CB-O 3.31Å; A437-N479 WeakPolarHBondContact CB-O 3.43Å; A437-L481 HydrophobicContact CB-CD1 4.35Å; A437-L481 HydrophobicContact CB-CD2 3.8Å; A437-L481 HydrophobicContact CB-CG 3.79Å; A437-V506 HydrophobicContact CB-CG1 3.82Å |
| 438 | S | 89.9 | Confident | 89.5 | Confident | 32 Ų | 32 | 52.6 Ų | 52.6 | 22% | 0.224 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.2 | -42.4 | 176 | -170.2 | 0 | 0 | 0 | 0 | 111 | L434 E435 V441 D442 | L434-S438 PolarHBondContact O-N 3Å; E435-S438 PolarHBondContact O-N 3.36Å; S438-V441 PolarHBondContact O-N 3.15Å; S438-D442 WeakPolarHBondContact O-CB 3.48Å; S438-D442 PolarHBondContact O-N 3.34Å; S438-D442 PolarHBondContact OG-OD2 2.9Å; S438-D442 VanDerWaalsContact OG-OD2 3.12Å |
| 439 | K | 90.2 | Very high | 89.5 | Confident | 130 Ų | 130 | 55.2 Ų | 55.2 | 57% | 0.565 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -61.7 | -46.9 | 178.2 | -178.3 | 175.5 | 176.7 | -178.9 | 0 | 112 | E435 R436 A437 V441 D442 D443 | E435-K439 WeakPolarHBondContact O-CB 3.37Å; E435-K439 PolarHBondContact O-N 3.31Å; R436-K439 PolarHBondContact O-N 3.34Å; A437-K439 VanDerWaalsContact C-N 3.31Å; A437-K439 PolarHBondContact O-N 3.49Å; K439-V441 PolarHBondContact O-N 3.18Å; K439-D442 PolarHBondContact O-N 3.27Å; K439-D443 VanDerWaalsContact CE-OD2 3.24Å; K439-D443 WeakPolarHBondContact CE-OD2 3.35Å; K439-D443 WeakPolarHBondContact O-CB 3.49Å; K439-D443 PolarHBondContact O-N 2.91Å |
| 440 | W | 91.9 | Very high | 89.4 | Confident | 12 Ų | 12 | 54.3 Ų | 54.3 | 5% | 0.045 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.5 | -36.6 | 176.1 | 177.2 | 71.5 | 0 | 0 | 0 | 112 | R436 A437 G444 Y472 L473 A476 N479 Q480 Q510 M513 | R436-W440 WeakPolarHBondContact O-CB 3.39Å; R436-W440 PolarHBondContact O-N 3.16Å; A437-W440 PolarHBondContact O-N 3.05Å; W440-G444 PolarHBondContact O-N 3.26Å; W440-Y472 AromaticContact CD1-CE1 3.8Å; W440-Y472 AromaticContact CD1-CZ 3.7Å; W440-Y472 VanDerWaalsContact CD1-OH 3.28Å; W440-Y472 AromaticContact CE2-CE1 3.84Å; W440-Y472 HydrophobicContact CZ2-CE1 4.31Å; W440-Y472 AromaticContact NE1-CD1 3.99Å; W440-Y472 AromaticContact NE1-CE1 3.3Å; W440-Y472 VanDerWaalsContact NE1-CE1 3.3Å; W440-Y472 AromaticContact NE1-CZ 3.65Å; W440-Y472 PolarHBondContact O-OH 2.92Å; W440-L473 HydrophobicContact CH2-CD2 4.06Å; W440-L473 HydrophobicContact CZ2-CD2 3.88Å; W440-A476 HydrophobicContact CH2-CB 3.74Å; W440-A476 HydrophobicContact CZ2-CB 3.43Å; W440-A476 VanDerWaalsContact CZ2-CB 3.43Å; W440-N479 HydrophobicContact CB-CB 3.76Å; W440-N479 HydrophobicContact CD2-CB 4.31Å; W440-N479 HydrophobicContact CG-CB 3.82Å; W440-Q480 HydrophobicContact CH2-CB 4.43Å; W440-Q480 HydrophobicContact CH2-CG 4.37Å; W440-Q480 HydrophobicContact CZ3-CB 4.08Å; W440-Q480 HydrophobicContact CZ3-CG 4.03Å; W440-Q510 HydrophobicContact CZ3-CG 4.04Å; W440-M513 HydrophobicContact CE3-CE 4.11Å; W440-M513 HydrophobicContact CH2-CE 3.64Å; W440-M513 HydrophobicContact CZ2-CE 4.08Å; W440-M513 HydrophobicContact CZ3-CE 3.66Å |
| 441 | V | 91.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69 | -40.8 | 174.5 | 172.7 | 0 | 0 | 0 | 0 | 112.4 | A437 S438 K439 G444 I445 K509 Q510 M513 | A437-V441 WeakPolarHBondContact O-CB 3.5Å; A437-V441 VanDerWaalsContact O-CG2 3.27Å; A437-V441 WeakPolarHBondContact O-CG2 3.41Å; A437-V441 PolarHBondContact O-N 3.46Å; S438-V441 PolarHBondContact O-N 3.15Å; K439-V441 PolarHBondContact O-N 3.18Å; V441-G444 PolarHBondContact O-N 3.25Å; V441-I445 HydrophobicContact CG1-CD1 3.88Å; V441-I445 WeakPolarHBondContact O-CB 3.38Å; V441-I445 WeakPolarHBondContact O-CD1 3.45Å; V441-I445 WeakPolarHBondContact O-CG1 3.3Å; V441-I445 PolarHBondContact O-N 3.49Å; V441-K509 HydrophobicContact CG1-CB 4.14Å; V441-K509 HydrophobicContact CG1-CD 3.84Å; V441-K509 HydrophobicContact CG1-CG 3.63Å; V441-Q510 HydrophobicContact CG2-CB 3.71Å; V441-Q510 HydrophobicContact CG2-CG 3.88Å; V441-M513 HydrophobicContact CB-SD 4.38Å; V441-M513 HydrophobicContact CG1-CB 4.08Å; V441-M513 HydrophobicContact CG1-SD 4.32Å; V441-M513 HydrophobicContact CG2-CE 4.31Å; V441-M513 VanDerWaalsContact O-SD 3.38Å |
| 442 | D | 91.8 | Very high | 88.8 | Confident | 68 Ų | 68 | 57.5 Ų | 57.5 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -67.7 | -45.2 | 176.3 | -78.2 | -61.9 | 0 | 0 | 0 | 112.3 | S438 K439 G444 I445 Y446 K509 | S438-D442 WeakPolarHBondContact O-CB 3.48Å; S438-D442 PolarHBondContact O-N 3.34Å; S438-D442 PolarHBondContact OG-OD2 2.9Å; S438-D442 VanDerWaalsContact OG-OD2 3.12Å; K439-D442 PolarHBondContact O-N 3.27Å; D442-G444 VanDerWaalsContact C-N 3.29Å; D442-G444 PolarHBondContact O-N 3.17Å; D442-I445 PolarHBondContact O-N 2.91Å; D442-Y446 WeakPolarHBondContact O-CB 3.49Å; D442-Y446 PolarHBondContact O-N 3.03Å; D442-K509 WeakPolarHBondContact OD1-CE 3.34Å; D442-K509 IonicContact OD1-NZ 2.87Å; D442-K509 PolarHBondContact OD1-NZ 3.41Å; D442-K509 IonicContact OD2-NZ 3.89Å; D442-K509 PolarHBondContact OD2-NZ 3.15Å |
| 443 | D | 91.3 | Very high | 88.3 | Confident | 75 Ų | 75 | 55 Ų | 55 | 40% | 0.401 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61 | -37.3 | 175.6 | -74.7 | -21.2 | 0 | 0 | 0 | 111 | K439 L447 Y472 | K439-D443 VanDerWaalsContact CE-OD2 3.24Å; K439-D443 WeakPolarHBondContact CE-OD2 3.35Å; K439-D443 WeakPolarHBondContact O-CB 3.49Å; K439-D443 PolarHBondContact O-N 2.91Å; D443-L447 WeakPolarHBondContact O-CB 3.41Å; D443-L447 PolarHBondContact O-N 2.93Å; D443-Y472 VanDerWaalsContact CB-OH 3.29Å; D443-Y472 WeakPolarHBondContact CB-OH 3.4Å |
| 444 | G | 91.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -72.9 | -38.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | W440 V441 D442 Y446 L447 L448 Y472 F517 | W440-G444 PolarHBondContact O-N 3.26Å; V441-G444 PolarHBondContact O-N 3.25Å; D442-G444 VanDerWaalsContact C-N 3.29Å; D442-G444 PolarHBondContact O-N 3.17Å; G444-Y446 VanDerWaalsContact C-N 3.32Å; G444-L447 WeakPolarHBondContact O-CB 3.49Å; G444-L447 PolarHBondContact O-N 3.11Å; G444-L448 PolarHBondContact O-N 3.06Å; G444-L448 VanDerWaalsContact O-N 3.1Å; G444-Y472 PolarHBondContact N-OH 3.39Å; G444-F517 WeakPolarHBondContact O-CE2 3Å |
| 445 | I | 91.1 | Very high | 86.8 | Confident | 52 Ų | 52 | 65.7 Ų | 65.7 | 27% | 0.267 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.9 | -40.6 | 171 | -69.5 | 166.9 | 0 | 0 | 0 | 110.2 | V441 D442 L448 A449 K509 M513 M516 | V441-I445 HydrophobicContact CG1-CD1 3.88Å; V441-I445 WeakPolarHBondContact O-CB 3.38Å; V441-I445 WeakPolarHBondContact O-CD1 3.45Å; V441-I445 WeakPolarHBondContact O-CG1 3.3Å; V441-I445 PolarHBondContact O-N 3.49Å; D442-I445 PolarHBondContact O-N 2.91Å; I445-L448 PolarHBondContact O-N 3.39Å; I445-A449 WeakPolarHBondContact O-CB 3.34Å; I445-A449 PolarHBondContact O-N 3.21Å; I445-K509 HydrophobicContact CD1-CG 4.42Å; I445-M513 HydrophobicContact CD1-CB 4.33Å; I445-M513 HydrophobicContact CG1-CB 3.98Å; I445-M513 HydrophobicContact CG1-CG 3.92Å; I445-M513 HydrophobicContact CG1-SD 4.48Å; I445-M516 HydrophobicContact CD1-CE 4.3Å; I445-M516 HydrophobicContact CG1-CE 3.95Å |
| 446 | Y | 91.3 | Very high | 86.2 | Confident | 166 Ų | 166 | 60.8 Ų | 60.8 | 65% | 0.651 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -64.6 | -39.8 | 175.2 | -178.8 | -98.1 | 0 | 0 | 0 | 112.2 | D442 G444 L448 A449 S450 | D442-Y446 WeakPolarHBondContact O-CB 3.49Å; D442-Y446 PolarHBondContact O-N 3.03Å; G444-Y446 VanDerWaalsContact C-N 3.32Å; Y446-L448 PolarHBondContact O-N 3.2Å; Y446-A449 PolarHBondContact O-N 3.49Å; Y446-S450 VanDerWaalsContact CE1-OG 3.31Å; Y446-S450 WeakPolarHBondContact CE1-OG 3.3Å; Y446-S450 VanDerWaalsContact CZ-OG 3.27Å; Y446-S450 WeakPolarHBondContact O-CB 3.46Å; Y446-S450 PolarHBondContact O-N 3.32Å; Y446-S450 PolarHBondContact O-OG 2.6Å |
| 447 | L | 89.8 | Confident | 85.5 | Confident | 29 Ų | 29 | 63.1 Ų | 63.1 | 15% | 0.152 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.8 | -45 | 173.7 | 179.2 | 63.4 | 0 | 0 | 0 | 111.7 | D443 G444 S450 Q451 E468 L469 Y472 F517 | D443-L447 WeakPolarHBondContact O-CB 3.41Å; D443-L447 PolarHBondContact O-N 2.93Å; G444-L447 WeakPolarHBondContact O-CB 3.49Å; G444-L447 PolarHBondContact O-N 3.11Å; L447-S450 PolarHBondContact O-N 3.44Å; L447-Q451 VanDerWaalsContact O-CG 3.3Å; L447-Q451 WeakPolarHBondContact O-CG 3.48Å; L447-Q451 PolarHBondContact O-N 2.98Å; L447-E468 HydrophobicContact CD1-CG 4.11Å; L447-E468 HydrophobicContact CD2-CG 4.33Å; L447-L469 HydrophobicContact CD2-CD2 4.15Å; L447-L469 HydrophobicContact CG-CD2 4.35Å; L447-Y472 HydrophobicContact CD2-CD1 4.39Å; L447-Y472 HydrophobicContact CD2-CD2 3.65Å; L447-Y472 HydrophobicContact CD2-CE2 4.37Å; L447-Y472 HydrophobicContact CD2-CG 3.67Å; L447-F517 HydrophobicContact CD2-CZ 4.38Å |
| 448 | L | 87.6 | Confident | 84.8 | Confident | 28 Ų | 28 | 65.7 Ų | 65.7 | 15% | 0.147 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62 | -45.5 | 174.6 | -75.5 | 172.7 | 0 | 0 | 0 | 112.5 | G444 I445 Y446 S450 Q451 L469 M516 F517 R520 | G444-L448 PolarHBondContact O-N 3.06Å; G444-L448 VanDerWaalsContact O-N 3.1Å; I445-L448 PolarHBondContact O-N 3.39Å; Y446-L448 PolarHBondContact O-N 3.2Å; L448-S450 VanDerWaalsContact C-N 3.31Å; L448-S450 PolarHBondContact O-N 3.43Å; L448-Q451 PolarHBondContact O-N 3.44Å; L448-L469 HydrophobicContact CD2-CD1 4.16Å; L448-L469 HydrophobicContact CD2-CD2 3.71Å; L448-L469 HydrophobicContact CG-CD2 4.35Å; L448-M516 HydrophobicContact CD1-CB 3.61Å; L448-F517 HydrophobicContact CD1-CD2 3.47Å; L448-F517 VanDerWaalsContact CD1-CD2 3.47Å; L448-F517 HydrophobicContact CD1-CE2 3.67Å; L448-F517 HydrophobicContact CD1-CG 4.39Å; L448-F517 HydrophobicContact CD2-CD2 4.21Å; L448-F517 HydrophobicContact CD2-CE2 4.39Å; L448-F517 HydrophobicContact CD2-CG 4.5Å; L448-F517 HydrophobicContact CG-CD2 3.87Å; L448-F517 HydrophobicContact CG-CE2 3.73Å; L448-F517 HydrophobicContact CG-CZ 4.39Å; L448-R520 HydrophobicContact CD2-CB 3.78Å; L448-R520 HydrophobicContact CD2-CG 3.76Å |
| 449 | A | 87.2 | Confident | 84.2 | Confident | 84 Ų | 84 | 69.6 Ų | 69.6 | 69% | 0.694 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -68.1 | -30.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I445 Y446 Q451 | I445-A449 WeakPolarHBondContact O-CB 3.34Å; I445-A449 PolarHBondContact O-N 3.21Å; Y446-A449 PolarHBondContact O-N 3.49Å; A449-Q451 VanDerWaalsContact C-N 3.35Å |
| 450 | S | 86.1 | Confident | 83.6 | Confident | 57 Ų | 57 | 70.3 Ų | 70.3 | 40% | 0.399 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 0.1 | -177.7 | -57.7 | 0 | 0 | 0 | 0 | 114.2 | Y446 L447 L448 P452 | Y446-S450 VanDerWaalsContact CE1-OG 3.31Å; Y446-S450 WeakPolarHBondContact CE1-OG 3.3Å; Y446-S450 VanDerWaalsContact CZ-OG 3.27Å; Y446-S450 WeakPolarHBondContact O-CB 3.46Å; Y446-S450 PolarHBondContact O-N 3.32Å; Y446-S450 PolarHBondContact O-OG 2.6Å; L447-S450 PolarHBondContact O-N 3.44Å; L448-S450 VanDerWaalsContact C-N 3.31Å; L448-S450 PolarHBondContact O-N 3.43Å; S450-P452 WeakPolarHBondContact O-CD 3.37Å |
| 451 | Q | 84.8 | Confident | 83.1 | Confident | 12 Ų | 12 | 70.3 Ų | 70.3 | 6% | 0.056 | 38% | 0.375 | C | S | . | . | trans | -65.7 | 123.6 | -177.8 | -68.9 | -156.4 | -27.8 | 0 | 0 | 111.9 | L447 L448 A449 V453 A465 R520 | L447-Q451 VanDerWaalsContact O-CG 3.3Å; L447-Q451 WeakPolarHBondContact O-CG 3.48Å; L447-Q451 PolarHBondContact O-N 2.98Å; L448-Q451 PolarHBondContact O-N 3.44Å; A449-Q451 VanDerWaalsContact C-N 3.35Å; Q451-V453 PolarHBondContact O-N 3.48Å; Q451-A465 PolarHBondContact NE2-O 2.88Å; Q451-R520 VanDerWaalsContact OE1-CZ 3.26Å | ||
| 452 | P | 79.1 | Confident | 82.6 | Confident | 65 Ų | 65 | 70.4 Ų | 70.4 | 42% | 0.422 | 38% | 0.375 | S | S | . | . | trans | -70 | 98.8 | -176.5 | 26.6 | -33.8 | 0 | 0 | 0 | 111.7 | S450 D454 K455 C456 | S450-P452 WeakPolarHBondContact O-CD 3.37Å; P452-D454 PolarHBondContact O-N 3.17Å; P452-D454 VanDerWaalsContact O-N 3.08Å; P452-K455 HydrophobicContact CB-CB 4.25Å; P452-K455 HydrophobicContact CB-CD 4.09Å; P452-K455 HydrophobicContact CB-CG 4.1Å; P452-K455 HydrophobicContact CG-CB 4.07Å; P452-K455 HydrophobicContact CG-CD 3.88Å; P452-K455 HydrophobicContact CG-CG 4.21Å; P452-K455 PolarHBondContact O-N 3.25Å; P452-C456 PolarHBondContact O-N 2.92Å; P452-C456 VanDerWaalsContact O-N 3.1Å | ||
| 453 | V | 75.8 | Confident | 82.1 | Confident | 97 Ų | 97 | 71.3 Ų | 71.3 | 59% | 0.588 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | -36.5 | -173.9 | -179.4 | 0 | 0 | 0 | 0 | 113.1 | Q451 Q457 | Q451-V453 PolarHBondContact O-N 3.48Å; V453-Q457 WeakPolarHBondContact O-CG 3.46Å; V453-Q457 PolarHBondContact O-NE2 2.83Å |
| 454 | D | 72.2 | Confident | 81.8 | Confident | 134 Ų | 134 | 72.5 Ų | 72.5 | 72% | 0.717 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -34 | 179.7 | -54.4 | -54.3 | 0 | 0 | 0 | 113.2 | P452 | P452-D454 PolarHBondContact O-N 3.17Å; P452-D454 VanDerWaalsContact O-N 3.08Å |
| 455 | K | 72.6 | Confident | 81.5 | Confident | 148 Ų | 148 | 72.9 Ų | 72.9 | 64% | 0.643 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -75.2 | -39.7 | 177.5 | -60.7 | -174.5 | -176.8 | 179.1 | 0 | 110.8 | P452 Q457 S458 G461 | P452-K455 HydrophobicContact CB-CB 4.25Å; P452-K455 HydrophobicContact CB-CD 4.09Å; P452-K455 HydrophobicContact CB-CG 4.1Å; P452-K455 HydrophobicContact CG-CB 4.07Å; P452-K455 HydrophobicContact CG-CD 3.88Å; P452-K455 HydrophobicContact CG-CG 4.21Å; P452-K455 PolarHBondContact O-N 3.25Å; K455-Q457 PolarHBondContact O-N 3.45Å; K455-Q457 VanDerWaalsContact O-N 3.1Å; K455-S458 PolarHBondContact O-N 3.23Å; K455-S458 PolarHBondContact O-OG 3.46Å; K455-G461 WeakPolarHBondContact O-CA 3.26Å |
| 456 | C | 76.6 | Confident | 81.2 | Confident | 6 Ų | 6 | 71.5 Ų | 71.5 | 4% | 0.041 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -69 | -0.4 | 178.1 | -62.6 | 0 | 0 | 0 | 0 | 115 | P452 L524 | P452-C456 PolarHBondContact O-N 2.92Å; P452-C456 VanDerWaalsContact O-N 3.1Å; C456-L524 HydrophobicContact CB-CD2 4.15Å |
| 457 | Q | 73.9 | Confident | 81 | Confident | 129 Ų | 129 | 68.6 Ų | 68.6 | 60% | 0.603 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -86.6 | -11.6 | 169 | -74.7 | 167.7 | 68.7 | 0 | 0 | 113.3 | V453 K455 | V453-Q457 WeakPolarHBondContact O-CG 3.46Å; V453-Q457 PolarHBondContact O-NE2 2.83Å; K455-Q457 PolarHBondContact O-N 3.45Å; K455-Q457 VanDerWaalsContact O-N 3.1Å |
| 458 | S | 74.9 | Confident | 80.9 | Confident | 55 Ų | 55 | 70.7 Ų | 70.7 | 39% | 0.385 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -87.6 | 152.7 | 170 | 68.5 | 0 | 0 | 0 | 0 | 111 | K455 G461 A462 | K455-S458 PolarHBondContact O-N 3.23Å; K455-S458 PolarHBondContact O-OG 3.46Å; S458-G461 PolarHBondContact O-N 3.46Å; S458-G461 WeakPolarHBondContact OG-CA 3.23Å; S458-G461 PolarHBondContact OG-N 3.16Å; S458-A462 VanDerWaalsContact O-CB 3.28Å; S458-A462 WeakPolarHBondContact O-CB 3.37Å; S458-A462 PolarHBondContact O-N 3.02Å |
| 459 | H | 77.3 | Confident | 81 | Confident | 114 Ų | 114 | 69.4 Ų | 69.4 | 53% | 0.528 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -55.9 | -54.4 | 175.4 | 179.8 | -61 | 0 | 0 | 0 | 111.2 | G461 A462 E463 A528 | H459-G461 PolarHBondContact O-N 2.98Å; H459-A462 PolarHBondContact O-N 3.49Å; H459-E463 IonicContact CE1-OE2 2.6Å; H459-E463 PolarHBondContact CE1-OE2 3.14Å; H459-E463 IonicContact ND1-OE2 2.73Å; H459-E463 PolarHBondContact ND1-OE2 2.96Å; H459-E463 WeakPolarHBondContact O-CB 3.3Å; H459-E463 PolarHBondContact O-N 3.04Å; H459-A528 PolarHBondContact CD2-O 3.41Å |
| 460 | E | 77.9 | Confident | 81 | Confident | 145 Ų | 145 | 68 Ų | 68 | 68% | 0.678 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -58.9 | -45 | 179.4 | -174 | 176.9 | -166.5 | 0 | 0 | 112.1 | A462 E463 L464 | E460-A462 PolarHBondContact O-N 3.23Å; E460-E463 PolarHBondContact O-N 3.48Å; E460-L464 HydrophobicContact CG-CD1 4.15Å; E460-L464 WeakPolarHBondContact O-CB 3.3Å; E460-L464 VanDerWaalsContact O-CG 3.31Å; E460-L464 WeakPolarHBondContact O-CG 3.48Å; E460-L464 PolarHBondContact O-N 3.21Å |
| 461 | G | 81.6 | Confident | 81 | Confident | 13 Ų | 13 | 72.4 Ų | 72.4 | 13% | 0.134 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -73.8 | -20 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | K455 S458 H459 A465 | K455-G461 WeakPolarHBondContact O-CA 3.26Å; S458-G461 PolarHBondContact O-N 3.46Å; S458-G461 WeakPolarHBondContact OG-CA 3.23Å; S458-G461 PolarHBondContact OG-N 3.16Å; H459-G461 PolarHBondContact O-N 2.98Å; G461-A465 VanDerWaalsContact O-CB 3.22Å; G461-A465 WeakPolarHBondContact O-CB 3.31Å; G461-A465 PolarHBondContact O-N 3.41Å |
| 462 | A | 81.3 | Confident | 81.2 | Confident | 1 Ų | 1 | 73.5 Ų | 73.5 | 1% | 0.008 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -78.9 | -35.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S458 H459 E460 L466 L524 L527 A528 | S458-A462 VanDerWaalsContact O-CB 3.28Å; S458-A462 WeakPolarHBondContact O-CB 3.37Å; S458-A462 PolarHBondContact O-N 3.02Å; H459-A462 PolarHBondContact O-N 3.49Å; E460-A462 PolarHBondContact O-N 3.23Å; A462-L466 WeakPolarHBondContact O-CB 3.21Å; A462-L466 PolarHBondContact O-N 2.85Å; A462-L466 VanDerWaalsContact O-N 3.09Å; A462-L524 HydrophobicContact CB-CD2 4.28Å; A462-L527 HydrophobicContact CB-CB 4.24Å; A462-A528 HydrophobicContact CB-CB 4.19Å |
| 463 | E | 80.4 | Confident | 81.5 | Confident | 88 Ų | 88 | 71.5 Ų | 71.5 | 41% | 0.411 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -74.5 | -43.4 | 178.5 | -172.2 | 167.2 | -162.7 | 0 | 0 | 112.2 | H459 E460 A465 L466 Q467 | H459-E463 IonicContact CE1-OE2 2.6Å; H459-E463 PolarHBondContact CE1-OE2 3.14Å; H459-E463 IonicContact ND1-OE2 2.73Å; H459-E463 PolarHBondContact ND1-OE2 2.96Å; H459-E463 WeakPolarHBondContact O-CB 3.3Å; H459-E463 PolarHBondContact O-N 3.04Å; E460-E463 PolarHBondContact O-N 3.48Å; E463-A465 PolarHBondContact O-N 3.46Å; E463-L466 WeakPolarHBondContact O-CB 3.48Å; E463-L466 PolarHBondContact O-N 2.91Å; E463-L466 VanDerWaalsContact O-N 3.1Å; E463-Q467 WeakPolarHBondContact O-CG 3.15Å; E463-Q467 PolarHBondContact O-N 3.08Å |
| 464 | L | 84.9 | Confident | 81.9 | Confident | 100 Ų | 100 | 73.4 Ų | 73.4 | 52% | 0.524 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.5 | -43 | 171.8 | -72 | 169.6 | 0 | 0 | 0 | 111.8 | E460 L466 Q467 E468 | E460-L464 HydrophobicContact CG-CD1 4.15Å; E460-L464 WeakPolarHBondContact O-CB 3.3Å; E460-L464 VanDerWaalsContact O-CG 3.31Å; E460-L464 WeakPolarHBondContact O-CG 3.48Å; E460-L464 PolarHBondContact O-N 3.21Å; L464-L466 PolarHBondContact O-N 2.96Å; L464-Q467 PolarHBondContact O-N 3.47Å; L464-E468 WeakPolarHBondContact O-CB 3.25Å; L464-E468 PolarHBondContact O-N 3.31Å |
| 465 | A | 85.6 | Confident | 82.4 | Confident | 8 Ų | 8 | 72.3 Ų | 72.3 | 7% | 0.066 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.2 | -20.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q451 G461 E463 L469 L524 | Q451-A465 PolarHBondContact NE2-O 2.88Å; G461-A465 VanDerWaalsContact O-CB 3.22Å; G461-A465 WeakPolarHBondContact O-CB 3.31Å; G461-A465 PolarHBondContact O-N 3.41Å; E463-A465 PolarHBondContact O-N 3.46Å; A465-L469 VanDerWaalsContact O-CG 3.29Å; A465-L469 WeakPolarHBondContact O-CG 3.49Å; A465-L469 PolarHBondContact O-N 3.29Å; A465-L524 HydrophobicContact CB-CD1 3.99Å; A465-L524 HydrophobicContact CB-CD2 4.22Å |
| 466 | L | 85.3 | Confident | 82.7 | Confident | 22 Ų | 22 | 65.5 Ų | 65.5 | 12% | 0.115 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -77.3 | -49.9 | 171.3 | -174.6 | 81.2 | 0 | 0 | 0 | 110.9 | A462 E463 L464 E468 L469 E470 K521 L524 K525 | A462-L466 WeakPolarHBondContact O-CB 3.21Å; A462-L466 PolarHBondContact O-N 2.85Å; A462-L466 VanDerWaalsContact O-N 3.09Å; E463-L466 WeakPolarHBondContact O-CB 3.48Å; E463-L466 PolarHBondContact O-N 2.91Å; E463-L466 VanDerWaalsContact O-N 3.1Å; L464-L466 PolarHBondContact O-N 2.96Å; L466-E468 PolarHBondContact O-N 2.92Å; L466-L469 PolarHBondContact O-N 2.91Å; L466-L469 VanDerWaalsContact O-N 3.09Å; L466-E470 PolarHBondContact O-N 2.84Å; L466-K521 HydrophobicContact CD1-CB 3.93Å; L466-K521 HydrophobicContact CD1-CG 3.85Å; L466-L524 HydrophobicContact CD1-CB 4.33Å; L466-K525 HydrophobicContact CD1-CD 4.17Å; L466-K525 HydrophobicContact CD1-CG 3.97Å; L466-K525 HydrophobicContact CD2-CD 4.31Å; L466-K525 HydrophobicContact CD2-CG 4Å |
| 467 | Q | 85.5 | Confident | 82.7 | Confident | 106 Ų | 106 | 68.2 Ų | 68.2 | 50% | 0.495 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.9 | -35.5 | 177 | -69.2 | 176.8 | 12.3 | 0 | 0 | 111.6 | E463 L464 E470 R471 | E463-Q467 WeakPolarHBondContact O-CG 3.15Å; E463-Q467 PolarHBondContact O-N 3.08Å; L464-Q467 PolarHBondContact O-N 3.47Å; Q467-E470 PolarHBondContact O-N 3.45Å; Q467-R471 WeakPolarHBondContact O-CB 3.33Å; Q467-R471 PolarHBondContact O-N 3.19Å |
| 468 | E | 88.4 | Confident | 82.5 | Confident | 73 Ų | 73 | 69.6 Ų | 69.6 | 34% | 0.341 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.7 | -42 | 174.6 | -179.4 | 159.7 | -119.5 | 0 | 0 | 113.3 | L447 L464 L466 E470 R471 Y472 | L447-E468 HydrophobicContact CD1-CG 4.11Å; L447-E468 HydrophobicContact CD2-CG 4.33Å; L464-E468 WeakPolarHBondContact O-CB 3.25Å; L464-E468 PolarHBondContact O-N 3.31Å; L466-E468 PolarHBondContact O-N 2.92Å; E468-E470 VanDerWaalsContact C-N 3.35Å; E468-R471 IonicContact OE1-NH2 3.55Å; E468-Y472 WeakPolarHBondContact O-CB 3.45Å; E468-Y472 PolarHBondContact O-N 3.2Å |
| 469 | L | 89.1 | Confident | 82.7 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -73.5 | -25.2 | 176 | -66.4 | 173.4 | 0 | 0 | 0 | 113 | L447 L448 A465 L466 L473 F517 R520 L524 | L447-L469 HydrophobicContact CD2-CD2 4.15Å; L447-L469 HydrophobicContact CG-CD2 4.35Å; L448-L469 HydrophobicContact CD2-CD1 4.16Å; L448-L469 HydrophobicContact CD2-CD2 3.71Å; L448-L469 HydrophobicContact CG-CD2 4.35Å; A465-L469 VanDerWaalsContact O-CG 3.29Å; A465-L469 WeakPolarHBondContact O-CG 3.49Å; A465-L469 PolarHBondContact O-N 3.29Å; L466-L469 PolarHBondContact O-N 2.91Å; L466-L469 VanDerWaalsContact O-N 3.09Å; L469-L473 WeakPolarHBondContact O-CG 3.41Å; L469-F517 HydrophobicContact CB-CD1 3.97Å; L469-F517 HydrophobicContact CB-CE1 4.05Å; L469-F517 HydrophobicContact CD2-CD1 3.72Å; L469-F517 HydrophobicContact CD2-CE1 3.36Å; L469-F517 HydrophobicContact CD2-CG 4.45Å; L469-F517 HydrophobicContact CD2-CZ 3.82Å; L469-F517 HydrophobicContact CG-CD1 4.35Å; L469-F517 HydrophobicContact CG-CE1 4.28Å; L469-R520 HydrophobicContact CD1-CB 4.29Å; L469-R520 HydrophobicContact CD1-CG 3.77Å; L469-L524 HydrophobicContact CD1-CD1 3.75Å |
| 470 | E | 87.1 | Confident | 83 | Confident | 56 Ų | 56 | 67 Ų | 67 | 26% | 0.262 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -75.8 | -52.6 | 173.3 | -73.3 | 171.4 | 170.8 | 0 | 0 | 109.3 | L466 Q467 E468 Y472 L473 D474 K521 K525 | L466-E470 PolarHBondContact O-N 2.84Å; Q467-E470 PolarHBondContact O-N 3.45Å; E468-E470 VanDerWaalsContact C-N 3.35Å; E470-Y472 VanDerWaalsContact C-N 3.27Å; E470-Y472 PolarHBondContact O-N 2.9Å; E470-Y472 VanDerWaalsContact O-N 3.16Å; E470-L473 PolarHBondContact O-N 2.81Å; E470-D474 VanDerWaalsContact O-CG 3.28Å; E470-D474 PolarHBondContact O-N 3.09Å; E470-K521 HydrophobicContact CG-CD 4.3Å; E470-K525 IonicContact OE1-NZ 3.09Å; E470-K525 PolarHBondContact OE1-NZ 2.8Å |
| 471 | R | 87.9 | Confident | 83.3 | Confident | 149 Ų | 149 | 60.3 Ų | 60.3 | 56% | 0.562 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -52.6 | -36.6 | 172.4 | -178.3 | -174.6 | 66.8 | 81 | -2.3 | 114.3 | Q467 E468 N475 | Q467-R471 WeakPolarHBondContact O-CB 3.33Å; Q467-R471 PolarHBondContact O-N 3.19Å; E468-R471 IonicContact OE1-NH2 3.55Å; R471-N475 PolarHBondContact O-N 2.86Å |
| 472 | Y | 88.4 | Confident | 83 | Confident | 35 Ų | 35 | 63.8 Ų | 63.8 | 14% | 0.137 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.5 | -37.4 | 178.5 | -169.6 | -91.7 | 0 | 0 | 0 | 112.6 | W440 D443 G444 L447 E468 E470 N475 F517 | W440-Y472 AromaticContact CD1-CE1 3.8Å; W440-Y472 AromaticContact CD1-CZ 3.7Å; W440-Y472 VanDerWaalsContact CD1-OH 3.28Å; W440-Y472 AromaticContact CE2-CE1 3.84Å; W440-Y472 HydrophobicContact CZ2-CE1 4.31Å; W440-Y472 AromaticContact NE1-CD1 3.99Å; W440-Y472 AromaticContact NE1-CE1 3.3Å; W440-Y472 VanDerWaalsContact NE1-CE1 3.3Å; W440-Y472 AromaticContact NE1-CZ 3.65Å; W440-Y472 PolarHBondContact O-OH 2.92Å; D443-Y472 VanDerWaalsContact CB-OH 3.29Å; D443-Y472 WeakPolarHBondContact CB-OH 3.4Å; G444-Y472 PolarHBondContact N-OH 3.39Å; L447-Y472 HydrophobicContact CD2-CD1 4.39Å; L447-Y472 HydrophobicContact CD2-CD2 3.65Å; L447-Y472 HydrophobicContact CD2-CE2 4.37Å; L447-Y472 HydrophobicContact CD2-CG 3.67Å; E468-Y472 WeakPolarHBondContact O-CB 3.45Å; E468-Y472 PolarHBondContact O-N 3.2Å; E470-Y472 VanDerWaalsContact C-N 3.27Å; E470-Y472 PolarHBondContact O-N 2.9Å; E470-Y472 VanDerWaalsContact O-N 3.16Å; Y472-N475 PolarHBondContact O-N 2.99Å; Y472-F517 AromaticContact CD1-CE1 3.94Å; Y472-F517 HydrophobicContact CD1-CE1 3.94Å; Y472-F517 AromaticContact CD1-CZ 3.67Å; Y472-F517 HydrophobicContact CD1-CZ 3.67Å; Y472-F517 HydrophobicContact CE1-CZ 4.23Å; Y472-F517 HydrophobicContact CG-CE1 4.43Å; Y472-F517 HydrophobicContact CG-CZ 4.35Å |
| 473 | L | 85.4 | Confident | 82.9 | Confident | 22 Ų | 22 | 69.9 Ų | 69.9 | 12% | 0.115 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -80.6 | -30.9 | 178.9 | -70.7 | 173.6 | 0 | 0 | 0 | 112.4 | W440 L469 E470 N475 A476 F517 | W440-L473 HydrophobicContact CH2-CD2 4.06Å; W440-L473 HydrophobicContact CZ2-CD2 3.88Å; L469-L473 WeakPolarHBondContact O-CG 3.41Å; E470-L473 PolarHBondContact O-N 2.81Å; L473-N475 PolarHBondContact O-N 3.44Å; L473-A476 WeakPolarHBondContact O-CB 3.23Å; L473-A476 PolarHBondContact O-N 2.84Å; L473-F517 HydrophobicContact CD1-CB 4.18Å; L473-F517 HydrophobicContact CD1-CD1 3.49Å; L473-F517 VanDerWaalsContact CD1-CD1 3.49Å; L473-F517 HydrophobicContact CD1-CE1 4.2Å; L473-F517 HydrophobicContact CD1-CG 4.12Å; L473-F517 HydrophobicContact CD2-CD1 4.14Å; L473-F517 HydrophobicContact CD2-CE1 4.27Å; L473-F517 HydrophobicContact CG-CD1 3.73Å; L473-F517 HydrophobicContact CG-CE1 3.92Å |
| 474 | D | 83.5 | Confident | 83 | Confident | 137 Ų | 137 | 67.4 Ų | 67.4 | 73% | 0.733 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -61.3 | -24.4 | 170.6 | -61.4 | -28.8 | 0 | 0 | 0 | 111.8 | E470 | E470-D474 VanDerWaalsContact O-CG 3.28Å; E470-D474 PolarHBondContact O-N 3.09Å |
| 475 | N | 82.6 | Confident | 82.8 | Confident | 112 Ų | 112 | 68.4 Ų | 68.4 | 60% | 0.599 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | 13.9 | 175.1 | -165.6 | 57.8 | 0 | 0 | 0 | 114 | R471 Y472 L473 | R471-N475 PolarHBondContact O-N 2.86Å; Y472-N475 PolarHBondContact O-N 2.99Å; L473-N475 PolarHBondContact O-N 3.44Å |
| 476 | A | 79.1 | Confident | 82.8 | Confident | 5 Ų | 5 | 69.9 Ų | 69.9 | 4% | 0.041 | 37% | 0.365 | C | S | . | . | trans | -60.3 | -51 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | W440 L473 Q478 N479 Q480 | W440-A476 HydrophobicContact CH2-CB 3.74Å; W440-A476 HydrophobicContact CZ2-CB 3.43Å; W440-A476 VanDerWaalsContact CZ2-CB 3.43Å; L473-A476 WeakPolarHBondContact O-CB 3.23Å; L473-A476 PolarHBondContact O-N 2.84Å; A476-Q478 PolarHBondContact O-N 2.96Å; A476-N479 WeakPolarHBondContact O-CA 3.17Å; A476-N479 WeakPolarHBondContact O-CB 3.46Å; A476-N479 PolarHBondContact O-N 3.5Å; A476-Q480 HydrophobicContact CB-CB 4.17Å; A476-Q480 PolarHBondContact O-N 2.91Å | ||
| 477 | G | 76.3 | Confident | 82.7 | Confident | 62 Ų | 62 | 68.9 Ų | 68.9 | 64% | 0.639 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | 45.8 | -123.8 | 166 | 0 | 0 | 0 | 0 | 0 | 114.9 | N479 | G477-N479 VanDerWaalsContact C-N 3.26Å; G477-N479 PolarHBondContact O-N 3.04Å |
| 478 | Q | 69.3 | Low | 82.7 | Confident | 158 Ų | 158 | 67.2 Ų | 67.2 | 74% | 0.738 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -78.6 | -2.7 | 178.7 | -64.6 | -174.8 | -4.2 | 0 | 0 | 114.4 | A476 | A476-Q478 PolarHBondContact O-N 2.96Š|
| 479 | N | 80.8 | Confident | 82.5 | Confident | 47 Ų | 47 | 71.7 Ų | 71.7 | 25% | 0.251 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -93.1 | -14.6 | -178.6 | -50.6 | -60 | 0 | 0 | 0 | 112.3 | A437 W440 A476 G477 | A437-N479 WeakPolarHBondContact CA-O 3.5Å; A437-N479 VanDerWaalsContact CB-O 3.31Å; A437-N479 WeakPolarHBondContact CB-O 3.43Å; W440-N479 HydrophobicContact CB-CB 3.76Å; W440-N479 HydrophobicContact CD2-CB 4.31Å; W440-N479 HydrophobicContact CG-CB 3.82Å; A476-N479 WeakPolarHBondContact O-CA 3.17Å; A476-N479 WeakPolarHBondContact O-CB 3.46Å; A476-N479 PolarHBondContact O-N 3.5Å; G477-N479 VanDerWaalsContact C-N 3.26Å; G477-N479 PolarHBondContact O-N 3.04Å |
| 480 | Q | 82.7 | Confident | 82.4 | Confident | 69 Ų | 69 | 76 Ų | 76 | 32% | 0.322 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -87.4 | 136.2 | 178.4 | -169.4 | 178 | -7.5 | 0 | 0 | 111.5 | W440 A476 T482 | W440-Q480 HydrophobicContact CH2-CB 4.43Å; W440-Q480 HydrophobicContact CH2-CG 4.37Å; W440-Q480 HydrophobicContact CZ3-CB 4.08Å; W440-Q480 HydrophobicContact CZ3-CG 4.03Å; A476-Q480 HydrophobicContact CB-CB 4.17Å; A476-Q480 PolarHBondContact O-N 2.91Å; Q480-T482 PolarHBondContact O-N 3.41Å |
| 481 | L | 84.1 | Confident | 82.3 | Confident | 3 Ų | 3 | 74 Ų | 74 | 2% | 0.016 | 38% | 0.377 | C | S | . | . | trans | -77 | 107.6 | 163.4 | -55.6 | -173.5 | 0 | 0 | 0 | 108 | R433 L434 A437 I487 V506 Y507 Q510 | R433-L481 HydrophobicContact CG-CD2 4.46Å; L434-L481 HydrophobicContact CD2-CD1 4.13Å; A437-L481 HydrophobicContact CB-CD1 4.35Å; A437-L481 HydrophobicContact CB-CD2 3.8Å; A437-L481 HydrophobicContact CB-CG 3.79Å; L481-I487 HydrophobicContact CB-CD1 3.74Å; L481-I487 HydrophobicContact CD1-CD1 4.41Å; L481-I487 HydrophobicContact CD2-CD1 3.88Å; L481-I487 HydrophobicContact CG-CD1 4.2Å; L481-V506 HydrophobicContact CD1-CB 4.18Å; L481-V506 HydrophobicContact CD1-CG1 3.79Å; L481-Y507 HydrophobicContact CB-CD2 3.84Å; L481-Y507 HydrophobicContact CB-CE2 4.4Å; L481-Y507 HydrophobicContact CD1-CD2 4.43Å; L481-Q510 PolarHBondContact O-NE2 3.15Å | ||
| 482 | T | 75.8 | Confident | 82.2 | Confident | 87 Ų | 87 | 73.3 Ų | 73.3 | 53% | 0.534 | 38% | 0.381 | S | S | . | . | trans | -73.4 | -55.8 | -171.5 | 44.6 | 0 | 0 | 0 | 0 | 113.2 | Q480 | Q480-T482 PolarHBondContact O-N 3.41Š| ||
| 483 | E | 79.4 | Confident | 81.7 | Confident | 128 Ų | 128 | 79 Ų | 79 | 60% | 0.598 | 41% | 0.408 | S | S | * | . | trans | -142.5 | 137.2 | 179.9 | -65.7 | -177.3 | 165.1 | 0 | 0 | 110.2 | A486 I487 | E483-A486 HydrophobicContact CB-CB 4.01Å; E483-A486 PolarHBondContact O-N 3.27Å; E483-I487 WeakPolarHBondContact O-CG1 3.47Å; E483-I487 PolarHBondContact O-N 2.99Å | ||
| 484 | L | 81.6 | Confident | 81.6 | Confident | 37 Ų | 37 | 78 Ų | 78 | 19% | 0.194 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63.1 | -47.9 | 179.2 | -82.2 | 168.7 | 0 | 0 | 0 | 112.2 | A486 I487 W488 V503 Y507 | L484-A486 VanDerWaalsContact C-N 3.26Å; L484-A486 PolarHBondContact O-N 2.98Å; L484-I487 PolarHBondContact O-N 3.32Å; L484-I487 VanDerWaalsContact O-N 3.14Å; L484-W488 HydrophobicContact CB-CE3 4.45Å; L484-W488 HydrophobicContact CB-CH2 4.41Å; L484-W488 HydrophobicContact CB-CZ2 4.46Å; L484-W488 HydrophobicContact CB-CZ3 4.39Å; L484-W488 HydrophobicContact CD2-CZ2 4.36Å; L484-W488 WeakPolarHBondContact O-CB 3.5Å; L484-W488 PolarHBondContact O-N 2.8Å; L484-V503 HydrophobicContact CD2-CG1 3.68Å; L484-Y507 HydrophobicContact CD1-CD1 3.6Å; L484-Y507 HydrophobicContact CD1-CE1 3.72Å; L484-Y507 HydrophobicContact CD1-CG 4.06Å; L484-Y507 HydrophobicContact CD2-CD1 4.24Å; L484-Y507 HydrophobicContact CD2-CD2 4.04Å; L484-Y507 HydrophobicContact CD2-CG 3.82Å; L484-Y507 HydrophobicContact CG-CD1 3.81Å; L484-Y507 HydrophobicContact CG-CD2 3.87Å; L484-Y507 HydrophobicContact CG-CE1 3.92Å; L484-Y507 HydrophobicContact CG-CE2 3.99Å; L484-Y507 HydrophobicContact CG-CG 3.77Å |
| 485 | D | 82 | Confident | 81.4 | Confident | 121 Ų | 121 | 72 Ų | 72 | 65% | 0.647 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -61.8 | -34.2 | -178.9 | -64.9 | -45.8 | 0 | 0 | 0 | 112.4 | W488 K489 | D485-W488 PolarHBondContact O-N 2.74Å; D485-W488 WeakPolarHBondContact OD1-CZ3 3.45Å; D485-K489 WeakPolarHBondContact O-CB 3.26Å; D485-K489 PolarHBondContact O-N 3.03Å |
| 486 | A | 83.9 | Confident | 81.3 | Confident | 38 Ų | 38 | 68.3 Ų | 68.3 | 31% | 0.314 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.7 | -46.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | E483 L484 W488 K489 E490 | E483-A486 HydrophobicContact CB-CB 4.01Å; E483-A486 PolarHBondContact O-N 3.27Å; L484-A486 VanDerWaalsContact C-N 3.26Å; L484-A486 PolarHBondContact O-N 2.98Å; A486-W488 VanDerWaalsContact C-N 3.34Å; A486-K489 PolarHBondContact O-N 2.94Å; A486-E490 VanDerWaalsContact O-CB 3.27Å; A486-E490 WeakPolarHBondContact O-CB 3.34Å; A486-E490 PolarHBondContact O-N 3.28Å |
| 487 | I | 84.4 | Confident | 81.3 | Confident | 2 Ų | 2 | 75 Ų | 75 | 1% | 0.01 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.9 | -40.1 | 176.2 | -65.7 | 161.6 | 0 | 0 | 0 | 110.7 | L430 L481 E483 L484 K489 E490 Y491 V503 | L430-I487 HydrophobicContact CD1-CG2 4.49Å; L481-I487 HydrophobicContact CB-CD1 3.74Å; L481-I487 HydrophobicContact CD1-CD1 4.41Å; L481-I487 HydrophobicContact CD2-CD1 3.88Å; L481-I487 HydrophobicContact CG-CD1 4.2Å; E483-I487 WeakPolarHBondContact O-CG1 3.47Å; E483-I487 PolarHBondContact O-N 2.99Å; L484-I487 PolarHBondContact O-N 3.32Å; L484-I487 VanDerWaalsContact O-N 3.14Å; I487-K489 VanDerWaalsContact C-N 3.25Å; I487-K489 PolarHBondContact O-N 2.79Å; I487-E490 PolarHBondContact O-N 3.21Å; I487-Y491 HydrophobicContact CG2-CD2 4.21Å; I487-Y491 PolarHBondContact O-N 2.83Å; I487-V503 HydrophobicContact CG2-CG1 4.14Å; I487-V503 HydrophobicContact CG2-CG2 4.39Å |
| 488 | W | 85.1 | Confident | 81.3 | Confident | 71 Ų | 71 | 75.6 Ų | 75.6 | 27% | 0.269 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.4 | -31.4 | 177.7 | -72.5 | -23.2 | 0 | 0 | 0 | 113.5 | L484 D485 A486 E492 L495 E504 | L484-W488 HydrophobicContact CB-CE3 4.45Å; L484-W488 HydrophobicContact CB-CH2 4.41Å; L484-W488 HydrophobicContact CB-CZ2 4.46Å; L484-W488 HydrophobicContact CB-CZ3 4.39Å; L484-W488 HydrophobicContact CD2-CZ2 4.36Å; L484-W488 WeakPolarHBondContact O-CB 3.5Å; L484-W488 PolarHBondContact O-N 2.8Å; D485-W488 PolarHBondContact O-N 2.74Å; D485-W488 WeakPolarHBondContact OD1-CZ3 3.45Å; A486-W488 VanDerWaalsContact C-N 3.34Å; W488-E492 WeakPolarHBondContact O-CA 3.49Å; W488-E492 PolarHBondContact O-N 3.17Å; W488-L495 VanDerWaalsContact CA-CD1 3.47Å; W488-L495 HydrophobicContact CB-CD1 4.32Å; W488-L495 VanDerWaalsContact O-CD1 3.31Å; W488-L495 WeakPolarHBondContact O-CD1 3.26Å; W488-E504 HydrophobicContact CZ2-CG 4.3Å |
| 489 | K | 85.1 | Confident | 82 | Confident | 166 Ų | 166 | 68.1 Ų | 68.1 | 72% | 0.722 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -83.6 | -32.8 | 174.6 | -172.1 | 176.9 | -179.4 | -179.9 | 0 | 113.4 | D485 A486 I487 | D485-K489 WeakPolarHBondContact O-CB 3.26Å; D485-K489 PolarHBondContact O-N 3.03Å; A486-K489 PolarHBondContact O-N 2.94Å; I487-K489 VanDerWaalsContact C-N 3.25Å; I487-K489 PolarHBondContact O-N 2.79Å |
| 490 | E | 85.3 | Confident | 82.3 | Confident | 92 Ų | 92 | 70.4 Ų | 70.4 | 43% | 0.43 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -73 | -27 | -177.3 | -170 | 179.4 | 173.3 | 0 | 0 | 113.1 | R433 A486 I487 | R433-E490 IonicContact CZ-OE1 2.74Å; R433-E490 IonicContact CZ-OE2 2.75Å; R433-E490 VanDerWaalsContact CZ-OE2 3.25Å; R433-E490 IonicContact NH1-OE1 3.18Å; R433-E490 PolarHBondContact NH1-OE1 3.21Å; R433-E490 IonicContact NH1-OE2 3.86Å; R433-E490 PolarHBondContact NH1-OE2 3.46Å; R433-E490 IonicContact NH2-OE1 2.77Å; R433-E490 IonicContact NH2-OE2 2.68Å; R433-E490 PolarHBondContact NH2-OE2 3.25Å; A486-E490 VanDerWaalsContact O-CB 3.27Å; A486-E490 WeakPolarHBondContact O-CB 3.34Å; A486-E490 PolarHBondContact O-N 3.28Å; I487-E490 PolarHBondContact O-N 3.21Å |
| 491 | Y | 86.8 | Confident | 82.4 | Confident | 12 Ų | 12 | 72.2 Ų | 72.2 | 5% | 0.047 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.3 | 24.7 | 179.9 | -58.9 | -92.1 | 0 | 0 | 0 | 112.8 | L430 R433 I487 E493 V494 L495 | L430-Y491 HydrophobicContact CB-CD1 3.77Å; L430-Y491 HydrophobicContact CB-CE1 3.81Å; L430-Y491 HydrophobicContact CB-CG 4.33Å; L430-Y491 HydrophobicContact CD1-CD1 4.31Å; L430-Y491 HydrophobicContact CD1-CD2 3.95Å; L430-Y491 HydrophobicContact CD1-CE1 4.4Å; L430-Y491 HydrophobicContact CD1-CE2 4.06Å; L430-Y491 HydrophobicContact CD1-CG 4.07Å; L430-Y491 HydrophobicContact CD2-CD1 4.43Å; L430-Y491 HydrophobicContact CD2-CG 4.27Å; L430-Y491 HydrophobicContact CG-CD1 4.38Å; L430-Y491 HydrophobicContact CG-CG 4.46Å; R433-Y491 VanDerWaalsContact CD-OH 3.24Å; R433-Y491 WeakPolarHBondContact CD-OH 3.39Å; R433-Y491 PolarHBondContact NH1-OH 3.48Å; I487-Y491 HydrophobicContact CG2-CD2 4.21Å; I487-Y491 PolarHBondContact O-N 2.83Å; Y491-E493 VanDerWaalsContact C-N 3.28Å; Y491-E493 PolarHBondContact O-N 3.13Å; Y491-E493 VanDerWaalsContact O-N 3.17Å; Y491-V494 PolarHBondContact O-N 2.97Å; Y491-L495 WeakPolarHBondContact O-CD1 3.39Å; Y491-L495 WeakPolarHBondContact O-CG 3.46Å; Y491-L495 PolarHBondContact O-N 2.82Å; Y491-L495 VanDerWaalsContact O-N 3.14Å |
| 492 | E | 83.9 | Confident | 82.4 | Confident | 136 Ų | 136 | 75 Ų | 75 | 64% | 0.636 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -49.9 | -45.3 | -171.4 | -176.5 | 169 | -167.6 | 0 | 0 | 113.1 | W488 V494 L495 | W488-E492 WeakPolarHBondContact O-CA 3.49Å; W488-E492 PolarHBondContact O-N 3.17Å; E492-V494 PolarHBondContact O-N 3.45Å; E492-L495 PolarHBondContact O-N 2.85Å |
| 493 | E | 79.8 | Confident | 83.1 | Confident | 153 Ų | 153 | 70.8 Ų | 70.8 | 72% | 0.715 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -56.8 | -32.7 | 179 | -61.3 | 171.3 | 156.9 | 0 | 0 | 113.1 | Y423 Y491 | Y423-E493 WeakPolarHBondContact CE2-O 3.32Å; Y423-E493 PolarHBondContact OH-O 2.92Å; Y491-E493 VanDerWaalsContact C-N 3.28Å; Y491-E493 PolarHBondContact O-N 3.13Å; Y491-E493 VanDerWaalsContact O-N 3.17Å |
| 494 | V | 82.8 | Confident | 83.5 | Confident | 2 Ų | 2 | 68.4 Ų | 68.4 | 1% | 0.012 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -107.7 | -3.9 | -169.6 | -174.6 | 0 | 0 | 0 | 0 | 112.7 | Y423 R426 A427 Y491 E492 S496 F499 | Y423-V494 HydrophobicContact CD1-CG1 4.34Å; Y423-V494 HydrophobicContact CD1-CG2 4.29Å; Y423-V494 HydrophobicContact CD2-CG2 4.09Å; Y423-V494 HydrophobicContact CE1-CB 4.38Å; Y423-V494 HydrophobicContact CE1-CG1 3.9Å; Y423-V494 HydrophobicContact CE1-CG2 4.25Å; Y423-V494 HydrophobicContact CE2-CG2 4.07Å; Y423-V494 HydrophobicContact CG-CG2 4.21Å; R426-V494 HydrophobicContact CB-CG2 3.7Å; A427-V494 HydrophobicContact CB-CG1 3.62Å; Y491-V494 PolarHBondContact O-N 2.97Å; E492-V494 PolarHBondContact O-N 3.45Å; V494-S496 VanDerWaalsContact C-N 3.28Å; V494-S496 PolarHBondContact O-N 2.74Å; V494-F499 HydrophobicContact CG1-CD2 4.33Å; V494-F499 HydrophobicContact CG1-CE2 3.92Å; V494-F499 VanDerWaalsContact O-CD2 3.3Å; V494-F499 WeakPolarHBondContact O-CD2 3.39Å |
| 495 | L | 79.3 | Confident | 83.9 | Confident | 12 Ų | 12 | 74.1 Ų | 74.1 | 6% | 0.063 | 35% | 0.349 | C | S | . | . | trans | -79.5 | 70.1 | -173.3 | -88.3 | 162.1 | 0 | 0 | 0 | 114 | L430 W488 Y491 E492 F499 R500 V503 | L430-L495 HydrophobicContact CD2-CD2 4.28Å; W488-L495 VanDerWaalsContact CA-CD1 3.47Å; W488-L495 HydrophobicContact CB-CD1 4.32Å; W488-L495 VanDerWaalsContact O-CD1 3.31Å; W488-L495 WeakPolarHBondContact O-CD1 3.26Å; Y491-L495 WeakPolarHBondContact O-CD1 3.39Å; Y491-L495 WeakPolarHBondContact O-CG 3.46Å; Y491-L495 PolarHBondContact O-N 2.82Å; Y491-L495 VanDerWaalsContact O-N 3.14Å; E492-L495 PolarHBondContact O-N 2.85Å; L495-F499 HydrophobicContact CD2-CB 4.03Å; L495-R500 HydrophobicContact CB-CG 4.38Å; L495-R500 HydrophobicContact CD2-CG 3.91Å; L495-R500 PolarHBondContact O-NE 2.85Å; L495-V503 HydrophobicContact CD2-CG2 4.34Å | ||
| 496 | S | 79.7 | Confident | 84.3 | Confident | 34 Ų | 34 | 69.2 Ų | 69.2 | 24% | 0.238 | 32% | 0.323 | C | S | . | . | trans | -55.5 | 159.8 | 163.5 | 77.5 | 0 | 0 | 0 | 0 | 111.8 | V494 Q498 F499 R500 | V494-S496 VanDerWaalsContact C-N 3.28Å; V494-S496 PolarHBondContact O-N 2.74Å; S496-Q498 VanDerWaalsContact C-N 3.25Å; S496-Q498 PolarHBondContact O-N 2.87Å; S496-F499 PolarHBondContact O-N 3.15Å; S496-F499 VanDerWaalsContact O-N 3.12Å; S496-F499 WeakPolarHBondContact OG-CD2 3.4Å; S496-F499 PolarHBondContact OG-N 3.05Å; S496-R500 WeakPolarHBondContact O-CG 3.45Å; S496-R500 PolarHBondContact O-N 3.26Å | ||
| 497 | Q | 79.4 | Confident | 84.6 | Confident | 145 Ų | 145 | 70.2 Ų | 70.2 | 68% | 0.678 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -55.3 | -42.3 | 176.8 | -176.8 | -176.4 | -28.8 | 0 | 0 | 111.8 | F499 R500 E501 | Q497-F499 PolarHBondContact O-N 2.96Å; Q497-R500 WeakPolarHBondContact O-CB 3.05Å; Q497-R500 PolarHBondContact O-N 2.93Å; Q497-R500 VanDerWaalsContact O-N 3.16Å; Q497-E501 WeakPolarHBondContact CG-OE1 3.43Å; Q497-E501 PolarHBondContact NE2-OE1 2.83Å; Q497-E501 WeakPolarHBondContact O-CG 3.26Å; Q497-E501 PolarHBondContact O-N 3.33Å |
| 498 | Q | 77 | Confident | 84.9 | Confident | 75 Ų | 75 | 76.2 Ų | 76.2 | 35% | 0.35 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.8 | -40.7 | 178.1 | -177.6 | 178.9 | -11.5 | 0 | 0 | 112.3 | S496 Q502 | S496-Q498 VanDerWaalsContact C-N 3.25Å; S496-Q498 PolarHBondContact O-N 2.87Å; Q498-Q502 WeakPolarHBondContact O-CG 3.5Å; Q498-Q502 PolarHBondContact O-N 2.97Å; Q498-Q502 VanDerWaalsContact O-N 3.08Å |
| 499 | F | 83.9 | Confident | 85.2 | Confident | 1 Ų | 1 | 76 Ų | 76 | 0% | 0.004 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.7 | -39.7 | 174 | -85.9 | -57.5 | 0 | 0 | 0 | 111.9 | V350 A427 L430 H431 L434 V494 L495 S496 Q497 Q502 V503 | V350-F499 HydrophobicContact CB-CE2 4.46Å; V350-F499 HydrophobicContact CG1-CD2 4.09Å; V350-F499 HydrophobicContact CG1-CE2 3.65Å; V350-F499 HydrophobicContact CG1-CZ 4.28Å; V350-F499 HydrophobicContact CG2-CD2 4.46Å; V350-F499 HydrophobicContact CG2-CE2 4.16Å; A427-F499 HydrophobicContact CB-CE2 4.05Å; A427-F499 HydrophobicContact CB-CZ 3.97Å; L430-F499 HydrophobicContact CD2-CB 4.14Å; L430-F499 HydrophobicContact CD2-CD1 3.65Å; L430-F499 HydrophobicContact CD2-CD2 4.32Å; L430-F499 HydrophobicContact CD2-CE1 4.02Å; L430-F499 HydrophobicContact CD2-CG 3.82Å; L430-F499 HydrophobicContact CD2-CZ 4.49Å; L430-F499 HydrophobicContact CG-CD1 4.11Å; L430-F499 HydrophobicContact CG-CE1 4.18Å; H431-F499 AromaticContact CD2-CE1 3.7Å; H431-F499 AromaticContact CD2-CZ 3.61Å; H431-F499 AromaticContact CE1-CE1 3.57Å; H431-F499 AromaticContact CG-CE1 3.94Å; H431-F499 AromaticContact ND1-CE1 3.91Å; H431-F499 AromaticContact NE2-CE1 3.46Å; H431-F499 WeakPolarHBondContact NE2-CE1 3.41Å; H431-F499 AromaticContact NE2-CZ 3.45Å; H431-F499 WeakPolarHBondContact NE2-CZ 3.42Å; L434-F499 HydrophobicContact CD1-CD1 4.45Å; V494-F499 HydrophobicContact CG1-CD2 4.33Å; V494-F499 HydrophobicContact CG1-CE2 3.92Å; V494-F499 VanDerWaalsContact O-CD2 3.3Å; V494-F499 WeakPolarHBondContact O-CD2 3.39Å; L495-F499 HydrophobicContact CD2-CB 4.03Å; S496-F499 PolarHBondContact O-N 3.15Å; S496-F499 VanDerWaalsContact O-N 3.12Å; S496-F499 WeakPolarHBondContact OG-CD2 3.4Å; S496-F499 PolarHBondContact OG-N 3.05Å; Q497-F499 PolarHBondContact O-N 2.96Å; F499-Q502 PolarHBondContact O-N 2.89Å; F499-V503 WeakPolarHBondContact O-CB 3.41Å; F499-V503 VanDerWaalsContact O-CG2 3.22Å; F499-V503 WeakPolarHBondContact O-CG2 3.42Å; F499-V503 PolarHBondContact O-N 3Å |
| 500 | R | 85.6 | Confident | 85.5 | Confident | 95 Ų | 95 | 68.5 Ų | 68.5 | 36% | 0.358 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.1 | -47.5 | 176.6 | -68 | 170.6 | -174.7 | -95.6 | -3.5 | 111.5 | L495 S496 Q497 Q502 V503 E504 | L495-R500 HydrophobicContact CB-CG 4.38Å; L495-R500 HydrophobicContact CD2-CG 3.91Å; L495-R500 PolarHBondContact O-NE 2.85Å; S496-R500 WeakPolarHBondContact O-CG 3.45Å; S496-R500 PolarHBondContact O-N 3.26Å; Q497-R500 WeakPolarHBondContact O-CB 3.05Å; Q497-R500 PolarHBondContact O-N 2.93Å; Q497-R500 VanDerWaalsContact O-N 3.16Å; R500-Q502 VanDerWaalsContact C-N 3.31Å; R500-Q502 PolarHBondContact O-N 3.18Å; R500-V503 PolarHBondContact O-N 3.12Å; R500-E504 WeakPolarHBondContact O-CB 3.48Å; R500-E504 WeakPolarHBondContact O-CG 3.46Å; R500-E504 PolarHBondContact O-N 3.13Å |
| 501 | E | 85.1 | Confident | 85.7 | Confident | 107 Ų | 107 | 67 Ų | 67 | 50% | 0.5 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.6 | -37.6 | 175.4 | -70.2 | 174.2 | -159.3 | 0 | 0 | 112.5 | Q497 K505 | Q497-E501 WeakPolarHBondContact CG-OE1 3.43Å; Q497-E501 PolarHBondContact NE2-OE1 2.83Å; Q497-E501 WeakPolarHBondContact O-CG 3.26Å; Q497-E501 PolarHBondContact O-N 3.33Å; E501-K505 WeakPolarHBondContact O-CB 3.45Å; E501-K505 PolarHBondContact O-N 3.43Å |
| 502 | Q | 84.6 | Confident | 86 | Confident | 60 Ų | 60 | 69.2 Ų | 69.2 | 28% | 0.28 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -69.5 | -44.9 | 174.9 | -73.6 | 179.4 | -2.5 | 0 | 0 | 112.6 | L434 Q498 F499 R500 K505 V506 | L434-Q502 HydrophobicContact CD1-CB 4.3Å; Q498-Q502 WeakPolarHBondContact O-CG 3.5Å; Q498-Q502 PolarHBondContact O-N 2.97Å; Q498-Q502 VanDerWaalsContact O-N 3.08Å; F499-Q502 PolarHBondContact O-N 2.89Å; R500-Q502 VanDerWaalsContact C-N 3.31Å; R500-Q502 PolarHBondContact O-N 3.18Å; Q502-K505 PolarHBondContact O-N 2.98Å; Q502-V506 WeakPolarHBondContact O-CG2 3.42Å; Q502-V506 PolarHBondContact O-N 3.15Å |
| 503 | V | 89.6 | Confident | 86.4 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.1 | -51.4 | 176 | 170.3 | 0 | 0 | 0 | 0 | 110.3 | L430 L434 L484 I487 L495 F499 R500 K505 V506 Y507 | L430-V503 HydrophobicContact CD1-CG2 4.37Å; L434-V503 HydrophobicContact CD1-CG2 3.98Å; L434-V503 HydrophobicContact CD2-CB 4.41Å; L434-V503 HydrophobicContact CD2-CG2 3.95Å; L434-V503 HydrophobicContact CG-CG2 4.48Å; L484-V503 HydrophobicContact CD2-CG1 3.68Å; I487-V503 HydrophobicContact CG2-CG1 4.14Å; I487-V503 HydrophobicContact CG2-CG2 4.39Å; L495-V503 HydrophobicContact CD2-CG2 4.34Å; F499-V503 WeakPolarHBondContact O-CB 3.41Å; F499-V503 VanDerWaalsContact O-CG2 3.22Å; F499-V503 WeakPolarHBondContact O-CG2 3.42Å; F499-V503 PolarHBondContact O-N 3Å; R500-V503 PolarHBondContact O-N 3.12Å; V503-K505 PolarHBondContact O-N 3.03Å; V503-V506 PolarHBondContact O-N 2.74Å; V503-Y507 VanDerWaalsContact O-CB 3.3Å; V503-Y507 WeakPolarHBondContact O-CB 3.35Å; V503-Y507 PolarHBondContact O-N 2.93Å |
| 504 | E | 89.4 | Confident | 86.8 | Confident | 77 Ų | 77 | 58 Ų | 58 | 36% | 0.36 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.7 | -43.5 | 178.9 | -74.5 | 178.6 | -154.8 | 0 | 0 | 112 | W488 R500 Y507 Q508 | W488-E504 HydrophobicContact CZ2-CG 4.3Å; R500-E504 WeakPolarHBondContact O-CB 3.48Å; R500-E504 WeakPolarHBondContact O-CG 3.46Å; R500-E504 PolarHBondContact O-N 3.13Å; E504-Y507 PolarHBondContact O-N 3.07Å; E504-Q508 WeakPolarHBondContact O-CB 3.07Å; E504-Q508 VanDerWaalsContact O-CG 3.28Å; E504-Q508 WeakPolarHBondContact O-CG 3.43Å; E504-Q508 PolarHBondContact O-N 2.84Å |
| 505 | K | 89.6 | Confident | 87.2 | Confident | 158 Ų | 158 | 62.5 Ų | 62.5 | 69% | 0.687 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -62.9 | -43.2 | 179 | -177.4 | 178.2 | 179.3 | -179.2 | 0 | 112.6 | E501 Q502 V503 K509 | E501-K505 WeakPolarHBondContact O-CB 3.45Å; E501-K505 PolarHBondContact O-N 3.43Å; Q502-K505 PolarHBondContact O-N 2.98Å; V503-K505 PolarHBondContact O-N 3.03Å; K505-K509 WeakPolarHBondContact O-CB 3.43Å; K505-K509 PolarHBondContact O-N 2.81Å; K505-K509 VanDerWaalsContact O-N 3.14Å |
| 506 | V | 90.3 | Very high | 87.7 | Confident | 17 Ų | 17 | 65.5 Ų | 65.5 | 10% | 0.103 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.6 | -41.2 | 176 | 176.6 | 0 | 0 | 0 | 0 | 110.4 | L434 A437 L481 Q502 V503 K509 Q510 | L434-V506 HydrophobicContact CD2-CB 4.27Å; L434-V506 HydrophobicContact CD2-CG2 4.33Å; A437-V506 HydrophobicContact CB-CG1 3.82Å; L481-V506 HydrophobicContact CD1-CB 4.18Å; L481-V506 HydrophobicContact CD1-CG1 3.79Å; Q502-V506 WeakPolarHBondContact O-CG2 3.42Å; Q502-V506 PolarHBondContact O-N 3.15Å; V503-V506 PolarHBondContact O-N 2.74Å; V506-K509 WeakPolarHBondContact O-CB 3.33Å; V506-K509 PolarHBondContact O-N 2.88Å; V506-Q510 WeakPolarHBondContact O-CB 3.47Å; V506-Q510 PolarHBondContact O-N 2.98Å |
| 507 | Y | 90.6 | Very high | 88.3 | Confident | 59 Ų | 59 | 63.9 Ų | 63.9 | 23% | 0.231 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.3 | -41 | 179 | -168.5 | -89.7 | 0 | 0 | 0 | 113.5 | L481 L484 V503 E504 Q510 T511 | L481-Y507 HydrophobicContact CB-CD2 3.84Å; L481-Y507 HydrophobicContact CB-CE2 4.4Å; L481-Y507 HydrophobicContact CD1-CD2 4.43Å; L484-Y507 HydrophobicContact CD1-CD1 3.6Å; L484-Y507 HydrophobicContact CD1-CE1 3.72Å; L484-Y507 HydrophobicContact CD1-CG 4.06Å; L484-Y507 HydrophobicContact CD2-CD1 4.24Å; L484-Y507 HydrophobicContact CD2-CD2 4.04Å; L484-Y507 HydrophobicContact CD2-CG 3.82Å; L484-Y507 HydrophobicContact CG-CD1 3.81Å; L484-Y507 HydrophobicContact CG-CD2 3.87Å; L484-Y507 HydrophobicContact CG-CE1 3.92Å; L484-Y507 HydrophobicContact CG-CE2 3.99Å; L484-Y507 HydrophobicContact CG-CG 3.77Å; V503-Y507 VanDerWaalsContact O-CB 3.3Å; V503-Y507 WeakPolarHBondContact O-CB 3.35Å; V503-Y507 PolarHBondContact O-N 2.93Å; E504-Y507 PolarHBondContact O-N 3.07Å; Y507-Q510 WeakPolarHBondContact O-CB 3.35Å; Y507-Q510 PolarHBondContact O-N 2.74Å; Y507-T511 PolarHBondContact O-N 2.68Å; Y507-T511 PolarHBondContact O-OG1 2.64Å |
| 508 | Q | 90.4 | Very high | 88.7 | Confident | 129 Ų | 129 | 60.7 Ų | 60.7 | 60% | 0.603 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.9 | -42.9 | 173 | -73.8 | 175.9 | 20.4 | 0 | 0 | 111.2 | E504 Q510 T511 S512 | E504-Q508 WeakPolarHBondContact O-CB 3.07Å; E504-Q508 VanDerWaalsContact O-CG 3.28Å; E504-Q508 WeakPolarHBondContact O-CG 3.43Å; E504-Q508 PolarHBondContact O-N 2.84Å; Q508-Q510 VanDerWaalsContact C-N 3.34Å; Q508-Q510 PolarHBondContact O-N 2.94Å; Q508-T511 PolarHBondContact O-N 2.69Å; Q508-S512 WeakPolarHBondContact O-CB 3.02Å; Q508-S512 PolarHBondContact O-N 3Å |
| 509 | K | 90.9 | Very high | 89.3 | Confident | 67 Ų | 67 | 63 Ų | 63 | 29% | 0.291 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 176 | -161.6 | -169.9 | 180 | 177.6 | 0 | 111.5 | V441 D442 I445 K505 V506 S512 M513 | V441-K509 HydrophobicContact CG1-CB 4.14Å; V441-K509 HydrophobicContact CG1-CD 3.84Å; V441-K509 HydrophobicContact CG1-CG 3.63Å; D442-K509 WeakPolarHBondContact OD1-CE 3.34Å; D442-K509 IonicContact OD1-NZ 2.87Å; D442-K509 PolarHBondContact OD1-NZ 3.41Å; D442-K509 IonicContact OD2-NZ 3.89Å; D442-K509 PolarHBondContact OD2-NZ 3.15Å; I445-K509 HydrophobicContact CD1-CG 4.42Å; K505-K509 WeakPolarHBondContact O-CB 3.43Å; K505-K509 PolarHBondContact O-N 2.81Å; K505-K509 VanDerWaalsContact O-N 3.14Å; V506-K509 WeakPolarHBondContact O-CB 3.33Å; V506-K509 PolarHBondContact O-N 2.88Å; K509-S512 PolarHBondContact O-N 3.11Å; K509-M513 PolarHBondContact O-N 3.24Å |
| 510 | Q | 92 | Very high | 89.5 | Confident | 7 Ų | 7 | 65.9 Ų | 65.9 | 3% | 0.033 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.9 | -49.8 | 174 | -171.7 | -173.3 | -90.2 | 0 | 0 | 111.9 | W440 V441 L481 V506 Y507 Q508 S512 M513 Q514 | W440-Q510 HydrophobicContact CZ3-CG 4.04Å; V441-Q510 HydrophobicContact CG2-CB 3.71Å; V441-Q510 HydrophobicContact CG2-CG 3.88Å; L481-Q510 PolarHBondContact O-NE2 3.15Å; V506-Q510 WeakPolarHBondContact O-CB 3.47Å; V506-Q510 PolarHBondContact O-N 2.98Å; Y507-Q510 WeakPolarHBondContact O-CB 3.35Å; Y507-Q510 PolarHBondContact O-N 2.74Å; Q508-Q510 VanDerWaalsContact C-N 3.34Å; Q508-Q510 PolarHBondContact O-N 2.94Å; Q510-S512 VanDerWaalsContact C-N 3.31Å; Q510-S512 PolarHBondContact O-N 2.98Å; Q510-M513 PolarHBondContact O-N 3.44Å; Q510-Q514 PolarHBondContact O-N 3.32Å |
| 511 | T | 89.8 | Confident | 89.6 | Confident | 60 Ų | 60 | 62.8 Ų | 62.8 | 37% | 0.368 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.6 | -42.6 | 177.1 | -55.6 | 0 | 0 | 0 | 0 | 111.3 | Y507 Q508 Q514 E515 | Y507-T511 PolarHBondContact O-N 2.68Å; Y507-T511 PolarHBondContact O-OG1 2.64Å; Q508-T511 PolarHBondContact O-N 2.69Å; T511-Q514 WeakPolarHBondContact O-CB 3.41Å; T511-Q514 PolarHBondContact O-N 3.33Å; T511-E515 PolarHBondContact O-N 2.97Å |
| 512 | S | 91.9 | Very high | 89.7 | Confident | 59 Ų | 59 | 62.1 Ų | 62.1 | 41% | 0.413 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 176.7 | -170 | 0 | 0 | 0 | 0 | 112.6 | Q508 K509 Q510 M516 | Q508-S512 WeakPolarHBondContact O-CB 3.02Å; Q508-S512 PolarHBondContact O-N 3Å; K509-S512 PolarHBondContact O-N 3.11Å; Q510-S512 VanDerWaalsContact C-N 3.31Å; Q510-S512 PolarHBondContact O-N 2.98Å; S512-M516 WeakPolarHBondContact O-CG 3.5Å; S512-M516 PolarHBondContact O-N 2.84Å; S512-M516 VanDerWaalsContact O-N 3.09Å |
| 513 | M | 92.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.1 | -47.3 | 171 | -179.6 | -169.3 | 73.1 | 0 | 0 | 111.1 | W440 V441 I445 K509 Q510 E515 M516 F517 | W440-M513 HydrophobicContact CE3-CE 4.11Å; W440-M513 HydrophobicContact CH2-CE 3.64Å; W440-M513 HydrophobicContact CZ2-CE 4.08Å; W440-M513 HydrophobicContact CZ3-CE 3.66Å; V441-M513 HydrophobicContact CB-SD 4.38Å; V441-M513 HydrophobicContact CG1-CB 4.08Å; V441-M513 HydrophobicContact CG1-SD 4.32Å; V441-M513 HydrophobicContact CG2-CE 4.31Å; V441-M513 VanDerWaalsContact O-SD 3.38Å; I445-M513 HydrophobicContact CD1-CB 4.33Å; I445-M513 HydrophobicContact CG1-CB 3.98Å; I445-M513 HydrophobicContact CG1-CG 3.92Å; I445-M513 HydrophobicContact CG1-SD 4.48Å; K509-M513 PolarHBondContact O-N 3.24Å; Q510-M513 PolarHBondContact O-N 3.44Å; M513-E515 VanDerWaalsContact C-N 3.33Å; M513-E515 PolarHBondContact O-N 3.3Å; M513-M516 CarbonylContact O-C 3.6Å; M513-M516 WeakPolarHBondContact O-CA 3.27Å; M513-M516 WeakPolarHBondContact O-CB 3.5Å; M513-M516 PolarHBondContact O-N 2.79Å; M513-F517 HydrophobicContact CE-CE2 4.47Å; M513-F517 HydrophobicContact CG-CD2 3.65Å; M513-F517 HydrophobicContact CG-CE2 3.6Å; M513-F517 WeakPolarHBondContact O-CD2 3.4Å; M513-F517 PolarHBondContact O-N 2.97Å; M513-F517 HydrophobicContact SD-CD2 4.34Å; M513-F517 HydrophobicContact SD-CE2 3.8Å |
| 514 | Q | 89.3 | Confident | 89.3 | Confident | 54 Ų | 54 | 61.6 Ų | 61.6 | 25% | 0.252 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.3 | -44.8 | -178.3 | -157 | 66.8 | 23.9 | 0 | 0 | 111.4 | Q510 T511 M516 F517 D518 | Q510-Q514 PolarHBondContact O-N 3.32Å; T511-Q514 WeakPolarHBondContact O-CB 3.41Å; T511-Q514 PolarHBondContact O-N 3.33Å; Q514-M516 VanDerWaalsContact C-N 3.31Å; Q514-M516 PolarHBondContact O-N 2.89Å; Q514-F517 WeakPolarHBondContact O-CB 3.37Å; Q514-F517 PolarHBondContact O-N 3.05Å; Q514-D518 PolarHBondContact O-N 2.99Å |
| 515 | E | 90.4 | Very high | 89 | Confident | 97 Ų | 97 | 63.1 Ų | 63.1 | 45% | 0.453 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57.7 | -39.7 | 171.6 | -81.6 | -169.3 | -132.5 | 0 | 0 | 113 | T511 M513 D518 K519 | T511-E515 PolarHBondContact O-N 2.97Å; M513-E515 VanDerWaalsContact C-N 3.33Å; M513-E515 PolarHBondContact O-N 3.3Å; E515-D518 PolarHBondContact O-N 2.9Å; E515-K519 VanDerWaalsContact O-CB 3.32Å; E515-K519 WeakPolarHBondContact O-CB 3.32Å; E515-K519 VanDerWaalsContact O-CD 3.26Å; E515-K519 WeakPolarHBondContact O-CD 3.4Å; E515-K519 WeakPolarHBondContact O-CG 3.35Å; E515-K519 PolarHBondContact O-N 2.91Å; E515-K519 WeakPolarHBondContact OE2-CE 3.25Å; E515-K519 IonicContact OE2-NZ 2.69Å; E515-K519 PolarHBondContact OE2-NZ 3.34Å |
| 516 | M | 90.5 | Very high | 88.5 | Confident | 74 Ų | 74 | 62.6 Ų | 62.6 | 37% | 0.365 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -69.5 | -38.9 | 177 | -70.3 | -172.2 | -70.3 | 0 | 0 | 111.8 | I445 L448 S512 M513 Q514 R520 | I445-M516 HydrophobicContact CD1-CE 4.3Å; I445-M516 HydrophobicContact CG1-CE 3.95Å; L448-M516 HydrophobicContact CD1-CB 3.61Å; S512-M516 WeakPolarHBondContact O-CG 3.5Å; S512-M516 PolarHBondContact O-N 2.84Å; S512-M516 VanDerWaalsContact O-N 3.09Å; M513-M516 CarbonylContact O-C 3.6Å; M513-M516 WeakPolarHBondContact O-CA 3.27Å; M513-M516 WeakPolarHBondContact O-CB 3.5Å; M513-M516 PolarHBondContact O-N 2.79Å; Q514-M516 VanDerWaalsContact C-N 3.31Å; Q514-M516 PolarHBondContact O-N 2.89Å; M516-R520 WeakPolarHBondContact O-CB 3.34Å; M516-R520 PolarHBondContact O-N 2.69Å |
| 517 | F | 91.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.8 | -47.6 | 170.8 | -91.8 | -112.4 | 0 | 0 | 0 | 110.8 | G444 L447 L448 L469 Y472 L473 M513 Q514 R520 K521 | G444-F517 WeakPolarHBondContact O-CE2 3Å; L447-F517 HydrophobicContact CD2-CZ 4.38Å; L448-F517 HydrophobicContact CD1-CD2 3.47Å; L448-F517 VanDerWaalsContact CD1-CD2 3.47Å; L448-F517 HydrophobicContact CD1-CE2 3.67Å; L448-F517 HydrophobicContact CD1-CG 4.39Å; L448-F517 HydrophobicContact CD2-CD2 4.21Å; L448-F517 HydrophobicContact CD2-CE2 4.39Å; L448-F517 HydrophobicContact CD2-CG 4.5Å; L448-F517 HydrophobicContact CG-CD2 3.87Å; L448-F517 HydrophobicContact CG-CE2 3.73Å; L448-F517 HydrophobicContact CG-CZ 4.39Å; L469-F517 HydrophobicContact CB-CD1 3.97Å; L469-F517 HydrophobicContact CB-CE1 4.05Å; L469-F517 HydrophobicContact CD2-CD1 3.72Å; L469-F517 HydrophobicContact CD2-CE1 3.36Å; L469-F517 HydrophobicContact CD2-CG 4.45Å; L469-F517 HydrophobicContact CD2-CZ 3.82Å; L469-F517 HydrophobicContact CG-CD1 4.35Å; L469-F517 HydrophobicContact CG-CE1 4.28Å; Y472-F517 AromaticContact CD1-CE1 3.94Å; Y472-F517 HydrophobicContact CD1-CE1 3.94Å; Y472-F517 AromaticContact CD1-CZ 3.67Å; Y472-F517 HydrophobicContact CD1-CZ 3.67Å; Y472-F517 HydrophobicContact CE1-CZ 4.23Å; Y472-F517 HydrophobicContact CG-CE1 4.43Å; Y472-F517 HydrophobicContact CG-CZ 4.35Å; L473-F517 HydrophobicContact CD1-CB 4.18Å; L473-F517 HydrophobicContact CD1-CD1 3.49Å; L473-F517 VanDerWaalsContact CD1-CD1 3.49Å; L473-F517 HydrophobicContact CD1-CE1 4.2Å; L473-F517 HydrophobicContact CD1-CG 4.12Å; L473-F517 HydrophobicContact CD2-CD1 4.14Å; L473-F517 HydrophobicContact CD2-CE1 4.27Å; L473-F517 HydrophobicContact CG-CD1 3.73Å; L473-F517 HydrophobicContact CG-CE1 3.92Å; M513-F517 HydrophobicContact CE-CE2 4.47Å; M513-F517 HydrophobicContact CG-CD2 3.65Å; M513-F517 HydrophobicContact CG-CE2 3.6Å; M513-F517 WeakPolarHBondContact O-CD2 3.4Å; M513-F517 PolarHBondContact O-N 2.97Å; M513-F517 HydrophobicContact SD-CD2 4.34Å; M513-F517 HydrophobicContact SD-CE2 3.8Å; Q514-F517 WeakPolarHBondContact O-CB 3.37Å; Q514-F517 PolarHBondContact O-N 3.05Å; F517-R520 CarbonylContact O-C 3.58Å; F517-R520 PolarHBondContact O-N 2.62Å; F517-K521 WeakPolarHBondContact O-CB 3.3Å; F517-K521 VanDerWaalsContact O-CG 3.32Å; F517-K521 WeakPolarHBondContact O-CG 3.41Å; F517-K521 PolarHBondContact O-N 2.95Å |
| 518 | D | 88.6 | Confident | 86.2 | Confident | 78 Ų | 78 | 63.7 Ų | 63.7 | 42% | 0.417 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -68.3 | -44.1 | -178.7 | -72.8 | -29.5 | 0 | 0 | 0 | 112.5 | Q514 E515 R520 K521 I522 | Q514-D518 PolarHBondContact O-N 2.99Å; E515-D518 PolarHBondContact O-N 2.9Å; D518-R520 PolarHBondContact O-N 2.78Å; D518-K521 PolarHBondContact O-N 3.42Å; D518-I522 WeakPolarHBondContact O-CB 3.22Å; D518-I522 VanDerWaalsContact O-CG1 3.26Å; D518-I522 WeakPolarHBondContact O-CG1 3.49Å; D518-I522 PolarHBondContact O-N 2.93Å |
| 519 | K | 88.9 | Confident | 85.1 | Confident | 125 Ų | 125 | 60.9 Ų | 60.9 | 54% | 0.543 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58 | -39.3 | 172.5 | -70.4 | 161.6 | -164.8 | 168.1 | 0 | 111 | E515 S523 | E515-K519 VanDerWaalsContact O-CB 3.32Å; E515-K519 WeakPolarHBondContact O-CB 3.32Å; E515-K519 VanDerWaalsContact O-CD 3.26Å; E515-K519 WeakPolarHBondContact O-CD 3.4Å; E515-K519 WeakPolarHBondContact O-CG 3.35Å; E515-K519 PolarHBondContact O-N 2.91Å; E515-K519 WeakPolarHBondContact OE2-CE 3.25Å; E515-K519 IonicContact OE2-NZ 2.69Å; E515-K519 PolarHBondContact OE2-NZ 3.34Å; K519-S523 WeakPolarHBondContact O-CB 3.26Å; K519-S523 PolarHBondContact O-N 3.45Å |
| 520 | R | 88.1 | Confident | 83.1 | Confident | 61 Ų | 61 | 66.8 Ų | 66.8 | 23% | 0.23 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -72.7 | -43.1 | 177.2 | -172.7 | 60.1 | 172.3 | -179.8 | -3 | 112.6 | L448 Q451 L469 M516 F517 D518 I522 S523 L524 | L448-R520 HydrophobicContact CD2-CB 3.78Å; L448-R520 HydrophobicContact CD2-CG 3.76Å; Q451-R520 VanDerWaalsContact OE1-CZ 3.26Å; L469-R520 HydrophobicContact CD1-CB 4.29Å; L469-R520 HydrophobicContact CD1-CG 3.77Å; M516-R520 WeakPolarHBondContact O-CB 3.34Å; M516-R520 PolarHBondContact O-N 2.69Å; F517-R520 CarbonylContact O-C 3.58Å; F517-R520 PolarHBondContact O-N 2.62Å; D518-R520 PolarHBondContact O-N 2.78Å; R520-I522 VanDerWaalsContact C-N 3.32Å; R520-I522 PolarHBondContact O-N 3.47Å; R520-S523 CarbonylContact O-C 3.58Å; R520-S523 WeakPolarHBondContact O-CA 3.35Å; R520-S523 WeakPolarHBondContact O-CB 3.46Å; R520-S523 PolarHBondContact O-N 3.45Å; R520-L524 HydrophobicContact CG-CD1 4Å; R520-L524 HydrophobicContact CG-CG 4.35Å; R520-L524 WeakPolarHBondContact O-CG 3.23Å; R520-L524 PolarHBondContact O-N 3.47Å |
| 521 | K | 87.5 | Confident | 80.5 | Confident | 30 Ų | 30 | 75.8 Ų | 75.8 | 13% | 0.13 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -57.5 | -43.4 | 172.9 | -75.7 | -178.6 | -178.8 | -172.1 | 0 | 111.1 | L466 E470 F517 D518 S523 L524 K525 | L466-K521 HydrophobicContact CD1-CB 3.93Å; L466-K521 HydrophobicContact CD1-CG 3.85Å; E470-K521 HydrophobicContact CG-CD 4.3Å; F517-K521 WeakPolarHBondContact O-CB 3.3Å; F517-K521 VanDerWaalsContact O-CG 3.32Å; F517-K521 WeakPolarHBondContact O-CG 3.41Å; F517-K521 PolarHBondContact O-N 2.95Å; D518-K521 PolarHBondContact O-N 3.42Å; K521-S523 VanDerWaalsContact C-N 3.34Å; K521-S523 PolarHBondContact O-N 3.01Å; K521-L524 PolarHBondContact O-N 3.15Å; K521-K525 VanDerWaalsContact O-CB 3.29Å; K521-K525 WeakPolarHBondContact O-CB 3.1Å; K521-K525 WeakPolarHBondContact O-CG 3.23Å; K521-K525 PolarHBondContact O-N 3.11Å |
| 522 | I | 86.5 | Confident | 77.7 | Confident | 92 Ų | 92 | 78.8 Ų | 78.8 | 47% | 0.472 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.4 | -39.1 | 174.2 | -68.4 | 164.8 | 0 | 0 | 0 | 111.2 | D518 R520 K526 | D518-I522 WeakPolarHBondContact O-CB 3.22Å; D518-I522 VanDerWaalsContact O-CG1 3.26Å; D518-I522 WeakPolarHBondContact O-CG1 3.49Å; D518-I522 PolarHBondContact O-N 2.93Å; R520-I522 VanDerWaalsContact C-N 3.32Å; R520-I522 PolarHBondContact O-N 3.47Å; I522-K526 HydrophobicContact CG2-CD 4.21Å; I522-K526 WeakPolarHBondContact O-CB 3.43Å; I522-K526 WeakPolarHBondContact O-CD 3.4Å; I522-K526 VanDerWaalsContact O-CG 3.25Å; I522-K526 WeakPolarHBondContact O-CG 3.48Å; I522-K526 PolarHBondContact O-N 2.98Å |
| 523 | S | 83.8 | Confident | 74.7 | Confident | 48 Ų | 48 | 87.2 Ų | 87.2 | 34% | 0.336 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -67.6 | -44.4 | 176.4 | -177.1 | 0 | 0 | 0 | 0 | 112.5 | K519 R520 K521 K526 L527 | K519-S523 WeakPolarHBondContact O-CB 3.26Å; K519-S523 PolarHBondContact O-N 3.45Å; R520-S523 CarbonylContact O-C 3.58Å; R520-S523 WeakPolarHBondContact O-CA 3.35Å; R520-S523 WeakPolarHBondContact O-CB 3.46Å; R520-S523 PolarHBondContact O-N 3.45Å; K521-S523 VanDerWaalsContact C-N 3.34Å; K521-S523 PolarHBondContact O-N 3.01Å; S523-K526 WeakPolarHBondContact O-CB 3.27Å; S523-K526 PolarHBondContact O-N 3.27Å; S523-L527 WeakPolarHBondContact O-CG 3.49Å; S523-L527 PolarHBondContact O-N 3.49Å |
| 524 | L | 83.3 | Confident | 72.4 | Confident | 1 Ų | 1 | 92.3 Ų | 92.3 | 1% | 0.005 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -67.5 | -43.3 | 178.4 | -68.1 | 169.9 | 0 | 0 | 0 | 111.7 | C456 A462 A465 L466 L469 R520 K521 K526 L527 A528 | C456-L524 HydrophobicContact CB-CD2 4.15Å; A462-L524 HydrophobicContact CB-CD2 4.28Å; A465-L524 HydrophobicContact CB-CD1 3.99Å; A465-L524 HydrophobicContact CB-CD2 4.22Å; L466-L524 HydrophobicContact CD1-CB 4.33Å; L469-L524 HydrophobicContact CD1-CD1 3.75Å; R520-L524 HydrophobicContact CG-CD1 4Å; R520-L524 HydrophobicContact CG-CG 4.35Å; R520-L524 WeakPolarHBondContact O-CG 3.23Å; R520-L524 PolarHBondContact O-N 3.47Å; K521-L524 PolarHBondContact O-N 3.15Å; L524-K526 PolarHBondContact O-N 3.34Å; L524-L527 HydrophobicContact CD2-CD1 4.46Å; L524-L527 PolarHBondContact O-N 3.28Å; L524-L527 VanDerWaalsContact O-N 3.08Å; L524-A528 PolarHBondContact O-N 3.07Å |
| 525 | K | 82.6 | Confident | 69.4 | Low | 110 Ų | 110 | 95.7 Ų | 95.7 | 48% | 0.478 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.3 | -25.4 | 172 | -75.2 | 170.3 | 177.9 | 164 | 0 | 112.8 | L466 E470 K521 A529 | L466-K525 HydrophobicContact CD1-CD 4.17Å; L466-K525 HydrophobicContact CD1-CG 3.97Å; L466-K525 HydrophobicContact CD2-CD 4.31Å; L466-K525 HydrophobicContact CD2-CG 4Å; E470-K525 IonicContact OE1-NZ 3.09Å; E470-K525 PolarHBondContact OE1-NZ 2.8Å; K521-K525 VanDerWaalsContact O-CB 3.29Å; K521-K525 WeakPolarHBondContact O-CB 3.1Å; K521-K525 WeakPolarHBondContact O-CG 3.23Å; K521-K525 PolarHBondContact O-N 3.11Å; K525-A529 WeakPolarHBondContact O-CB 3.34Å |
| 526 | K | 78.4 | Confident | 66.6 | Low | 147 Ų | 147 | 99.5 Ų | 99.5 | 64% | 0.639 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -83 | -36.1 | 171.6 | -74.3 | 169.8 | -178.4 | 175.7 | 0 | 113.4 | I522 S523 L524 A529 | I522-K526 HydrophobicContact CG2-CD 4.21Å; I522-K526 WeakPolarHBondContact O-CB 3.43Å; I522-K526 WeakPolarHBondContact O-CD 3.4Å; I522-K526 VanDerWaalsContact O-CG 3.25Å; I522-K526 WeakPolarHBondContact O-CG 3.48Å; I522-K526 PolarHBondContact O-N 2.98Å; S523-K526 WeakPolarHBondContact O-CB 3.27Å; S523-K526 PolarHBondContact O-N 3.27Å; L524-K526 PolarHBondContact O-N 3.34Å; K526-A529 PolarHBondContact O-N 2.71Å |
| 527 | L | 70.5 | Confident | 64.6 | Low | 72 Ų | 72 | 101 Ų | 101 | 38% | 0.377 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -70 | -40.4 | 178.4 | -76.5 | 165.5 | 0 | 0 | 0 | 112.2 | A462 S523 L524 A529 | A462-L527 HydrophobicContact CB-CB 4.24Å; S523-L527 WeakPolarHBondContact O-CG 3.49Å; S523-L527 PolarHBondContact O-N 3.49Å; L524-L527 HydrophobicContact CD2-CD1 4.46Å; L524-L527 PolarHBondContact O-N 3.28Å; L524-L527 VanDerWaalsContact O-N 3.08Å; L527-A529 PolarHBondContact O-N 3.14Å; L527-A529 VanDerWaalsContact O-N 3.16Å |
| 528 | A | 62.3 | Low | 61.4 | Low | 26 Ų | 26 | 107.7 Ų | 107.7 | 22% | 0.215 | 55% | 0.554 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -60.4 | -21.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113 | H459 A462 L524 | H459-A528 PolarHBondContact CD2-O 3.41Å; A462-A528 HydrophobicContact CB-CB 4.19Å; L524-A528 PolarHBondContact O-N 3.07Å |
| 529 | A | 67.3 | Low | 58.6 | Low | 71 Ų | 71 | 108 Ų | 108 | 59% | 0.587 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | -9.6 | -166.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | K525 K526 L527 | K525-A529 WeakPolarHBondContact O-CB 3.34Å; K526-A529 PolarHBondContact O-N 2.71Å; L527-A529 PolarHBondContact O-N 3.14Å; L527-A529 VanDerWaalsContact O-N 3.16Å |
| 530 | K | 48.6 | Very low | 56.5 | Low | 191 Ų | 191 | 107.3 Ų | 107.3 | 83% | 0.83 | 58% | 0.576 | S | S | * | * | trans | -145.3 | 143.6 | -174.4 | -72 | -162.5 | 174.3 | -171.8 | 0 | 117.2 | ||||
| 531 | Q | 37.5 | Very low | 53.7 | Low | 196 Ų | 196 | 115.7 Ų | 115.7 | 92% | 0.916 | 61% | 0.607 | S | S | * | * | trans | -77 | -175.6 | 173.1 | -73.3 | -177 | -12.4 | 0 | 0 | 113.6 | ||||
| 532 | T | 31.2 | Very low | 51.7 | Low | 123 Ų | 123 | 119 Ų | 119 | 76% | 0.755 | 63% | 0.632 | S | S | * | * | trans | -114.8 | 159.3 | -144.5 | 44.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 533 | R | 30.2 | Very low | 49.1 | Very low | 236 Ų | 236 | 123.3 Ų | 123.3 | 89% | 0.891 | 65% | 0.65 | S | S | * | * | trans | 75.6 | 166.3 | 147.5 | -83.6 | -178 | 178.8 | -150.8 | 0.2 | 119.5 | ||||
| 534 | P | 43.8 | Very low | 46.5 | Very low | 106 Ų | 106 | 124 Ų | 124 | 69% | 0.688 | 66% | 0.659 | S | S | * | * | cis | -149.4 | 177.4 | -31.8 | 41 | -22.3 | 0 | 0 | 0 | 119 | ||||
| 535 | V | 26.9 | Very low | 43.9 | Very low | 126 Ų | 126 | 133.2 Ų | 133.2 | 76% | 0.764 | 70% | 0.699 | S | S | * | * | trans | 76.2 | 108.5 | 154.2 | -159.8 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 536 | Q | 31.7 | Very low | 41.5 | Very low | 177 Ų | 177 | 135.1 Ų | 135.1 | 83% | 0.827 | 71% | 0.713 | S | S | * | * | 15.4 | 173.1 | 120.3 | -86.6 | -176.8 | -12.2 | 0 | 0 | 124.3 | |||||
| 537 | P | 46.8 | Very low | 39.1 | Very low | 104 Ų | 104 | 136.9 Ų | 136.9 | 68% | 0.675 | 72% | 0.721 | S | S | * | * | cis | -141.8 | -162.9 | -23.6 | 33.3 | -9 | 0 | 0 | 0 | 116.5 | ||||
| 538 | V | 25.6 | Very low | 37.1 | Very low | 141 Ų | 141 | 138.3 Ų | 138.3 | 86% | 0.855 | 74% | 0.736 | S | S | * | * | trans | 101.4 | 153.3 | 158.4 | -164.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 539 | A | 30 | Very low | 36.4 | Very low | 85 Ų | 85 | 142.6 Ų | 142.6 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | trans | -144.4 | -162.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 540 | P | 45 | Very low | 34.5 | Very low | 110 Ų | 110 | 146.7 Ų | 146.7 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | cis | -141.2 | -179.1 | -9.5 | 44.3 | -26.3 | 0 | 0 | 0 | 117.7 | ||||
| 541 | R | 29.2 | Very low | 33.5 | Very low | 237 Ų | 237 | 143.6 Ų | 143.6 | 89% | 0.894 | 78% | 0.775 | S | S | * | * | trans | 70.1 | 161.9 | 159.1 | -77 | -177.1 | -178.2 | -177 | 1.1 | 120 | ||||
| 542 | P | 44.9 | Very low | 33.4 | Very low | 99 Ų | 99 | 139.6 Ų | 139.6 | 64% | 0.643 | 77% | 0.769 | S | S | * | * | cis | -136.9 | -170.7 | -26 | 40.9 | -22.6 | 0 | 0 | 0 | 115.7 | ||||
| 543 | E | 31.4 | Very low | 33.8 | Very low | 184 Ų | 184 | 139.1 Ų | 139.1 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | trans | 70.9 | 150 | 157.4 | -74.3 | 173.7 | -132.9 | 0 | 0 | 120.6 | ||||
| 544 | A | 28.7 | Very low | 33.6 | Very low | 63 Ų | 63 | 131.7 Ų | 131.7 | 52% | 0.521 | 76% | 0.758 | S | S | . | * | cis | -165.1 | 172.4 | -14.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 545 | F | 29.3 | Very low | 32.8 | Very low | 194 Ų | 194 | 135.4 Ų | 135.4 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | trans | 69.8 | 140.1 | 167.5 | -58.2 | -67.6 | 0 | 0 | 0 | 117.2 | ||||
| 546 | I | 32.4 | Very low | 32.8 | Very low | 149 Ų | 149 | 139.3 Ų | 139.3 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | cis | -165.1 | 172.3 | -6 | -152.9 | 172.1 | 0 | 0 | 0 | 106.4 | ||||
| 547 | K | 27.7 | Very low | 32.5 | Very low | 185 Ų | 185 | 134.9 Ų | 134.9 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | cis | -155.6 | 167.5 | 11.8 | -163.7 | 178.3 | -179.1 | -175.3 | 0 | 110.1 | ||||
| 548 | S | 28.8 | Very low | 31.4 | Very low | 101 Ų | 101 | 138.3 Ų | 138.3 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | -163.7 | -170.4 | 177.7 | 65.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 549 | P | 47.3 | Very low | 31.4 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | cis | -130.8 | -158.6 | -20.6 | 37.9 | -17.8 | 0 | 0 | 0 | 113.5 | ||||
| 550 | L | 28.1 | Very low | 31.1 | Very low | 158 Ų | 158 | 140.3 Ų | 140.3 | 83% | 0.827 | 76% | 0.761 | S | S | * | * | trans | -82.4 | 166.3 | 178.9 | -41.4 | 94.6 | 0 | 0 | 0 | 114.9 | ||||
| 551 | S | 28 | Very low | 30.3 | Very low | 125 Ų | 125 | 144 Ų | 144 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | 165.4 | 163.3 | 120.8 | -72.3 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 552 | S | 33.7 | Very low | 30 | Very low | 112 Ų | 112 | 139.2 Ų | 139.2 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | trans | -95 | -165.5 | 172.2 | 55.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 553 | P | 40.5 | Very low | 29.2 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | cis | -148.8 | -177.6 | 9.2 | 46.2 | -25.1 | 0 | 0 | 0 | 119.8 | ||||
| 554 | A | 25.9 | Very low | 28.9 | Very low | 81 Ų | 81 | 140.4 Ų | 140.4 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | trans | 62.4 | 127.8 | 138.8 | 0 | 0 | 0 | 0 | 0 | 127.4 | ||||
| 555 | H | 27.9 | Very low | 28.8 | Very low | 184 Ų | 184 | 142.3 Ų | 142.3 | 85% | 0.852 | 78% | 0.778 | S | S | * | * | trans | 65.7 | 119.5 | 139.3 | -66.5 | -51.7 | 0 | 0 | 0 | 126 | ||||
| 556 | K | 26.3 | Very low | 28.6 | Very low | 208 Ų | 208 | 139.7 Ų | 139.7 | 90% | 0.904 | 77% | 0.773 | S | S | * | * | trans | 150 | 156.4 | 130.1 | -85.1 | 172.3 | -178.6 | -179.8 | 0 | 110.3 | ||||
| 557 | A | 25 | Very low | 28.3 | Very low | 84 Ų | 84 | 140.7 Ų | 140.7 | 69% | 0.694 | 78% | 0.779 | S | S | * | * | cis | 153.6 | 119.8 | -23.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 558 | H | 24.6 | Very low | 28.2 | Very low | 176 Ų | 176 | 135.1 Ų | 135.1 | 82% | 0.815 | 77% | 0.774 | S | S | * | * | trans | -179.5 | 138.8 | 147.1 | -119.4 | -116.9 | 0 | 0 | 0 | 117.4 | ||||
| 559 | L | 24.8 | Very low | 28 | Very low | 118 Ų | 118 | 136.7 Ų | 136.7 | 62% | 0.618 | 78% | 0.783 | S | S | * | * | trans | 39.4 | 129.1 | 144.4 | -97.8 | 60.5 | 0 | 0 | 0 | 127.6 | ||||
| 560 | E | 24.2 | Very low | 26.9 | Very low | 149 Ų | 149 | 139.1 Ų | 139.1 | 70% | 0.696 | 78% | 0.784 | S | S | * | * | 56.9 | 127 | 127.5 | -78.2 | 173.1 | -142.1 | 0 | 0 | 124.9 | |||||
| 561 | K | 27.5 | Very low | 26.9 | Very low | 188 Ų | 188 | 140.8 Ų | 140.8 | 82% | 0.817 | 79% | 0.785 | S | S | * | * | -172.5 | 155.6 | 97.4 | -104.8 | 177.5 | -177.3 | 174.5 | 0 | 117 | |||||
| 562 | N | 23.6 | Very low | 26.8 | Very low | 137 Ų | 137 | 143.9 Ų | 143.9 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | trans | -27.1 | 155.4 | 169.7 | -54 | 10.1 | 0 | 0 | 0 | 117.8 | ||||
| 563 | S | 27.9 | Very low | 26.4 | Very low | 120 Ų | 120 | 146.7 Ų | 146.7 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | -167.5 | 172.2 | 68 | -57.8 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 564 | E | 24.7 | Very low | 25.6 | Very low | 187 Ų | 187 | 145 Ų | 145 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | -112.1 | -161.3 | -162.1 | -51.3 | 171.4 | 104 | 0 | 0 | 115.4 | ||||
| 565 | S | 26.3 | Very low | 25.4 | Very low | 104 Ų | 104 | 149.4 Ų | 149.4 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | 86.9 | 139.3 | 171.3 | 76.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 566 | N | 26.6 | Very low | 25.3 | Very low | 139 Ų | 139 | 146.5 Ų | 146.5 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | cis | -156.2 | 144.5 | -9 | -99.2 | -12.6 | 0 | 0 | 0 | 106.7 | ||||
| 567 | L | 25.6 | Very low | 25.3 | Very low | 169 Ų | 169 | 144.2 Ų | 144.2 | 89% | 0.885 | 78% | 0.781 | S | S | * | * | 56.6 | 123.4 | 60 | -66.6 | 174.6 | 0 | 0 | 0 | 114.6 | |||||
| 568 | G | 24.9 | Very low | 25.3 | Very low | 68 Ų | 68 | 146.1 Ų | 146.1 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | cis | 161.8 | 175.9 | -6.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 569 | C | 24 | Very low | 25.4 | Very low | 135 Ų | 135 | 145.9 Ų | 145.9 | 91% | 0.912 | 78% | 0.779 | S | S | * | * | trans | 66.1 | 167.6 | 167.4 | -100 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 570 | E | 24.1 | Very low | 25.4 | Very low | 166 Ų | 166 | 148.4 Ų | 148.4 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | cis | -131.2 | 176.7 | 7.9 | -84.4 | -155.8 | 116.5 | 0 | 0 | 113.8 | ||||
| 571 | K | 29 | Very low | 25.6 | Very low | 193 Ų | 193 | 144.4 Ų | 144.4 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | trans | -108 | 159.9 | 165.4 | -60.3 | 175.8 | 178 | 178.5 | 0 | 111.4 | ||||
| 572 | K | 25.7 | Very low | 25.5 | Very low | 190 Ų | 190 | 139.6 Ų | 139.6 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | trans | -164.4 | 160.1 | 140.7 | -115.1 | 156.2 | -171.2 | 159.2 | 0 | 115.5 | ||||
| 573 | N | 24.6 | Very low | 25.7 | Very low | 172 Ų | 172 | 138.5 Ų | 138.5 | 92% | 0.92 | 80% | 0.799 | S | S | * | * | trans | -92.1 | 163.4 | 177.4 | -76.3 | 5.1 | 0 | 0 | 0 | 112.6 | ||||
| 574 | G | 24.5 | Very low | 25.9 | Very low | 76 Ų | 76 | 143.6 Ų | 143.6 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | trans | -153.2 | 155.9 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 575 | Q | 22.7 | Very low | 26.2 | Very low | 175 Ų | 175 | 143.3 Ų | 143.3 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -155.4 | 158.7 | -165.5 | -155.2 | -168.1 | -16.9 | 0 | 0 | 112.9 | ||||
| 576 | L | 25.1 | Very low | 26.4 | Very low | 122 Ų | 122 | 142.3 Ų | 142.3 | 64% | 0.639 | 80% | 0.796 | S | S | * | * | trans | 80.4 | 126 | 160.3 | -56.4 | 177.3 | 0 | 0 | 0 | 120.9 | ||||
| 577 | Q | 25.7 | Very low | 27.3 | Very low | 161 Ų | 161 | 141.3 Ų | 141.3 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | 66.9 | 157.7 | 128.1 | -66.4 | -179.9 | -30.5 | 0 | 0 | 119.9 | |||||
| 578 | N | 24.4 | Very low | 28 | Very low | 123 Ų | 123 | 140.6 Ų | 140.6 | 66% | 0.658 | 79% | 0.792 | S | S | * | * | cis | -149.6 | -166.2 | 1.6 | -135.1 | 35.3 | 0 | 0 | 0 | 113.8 | ||||
| 579 | E | 27.7 | Very low | 29.4 | Very low | 172 Ų | 172 | 141.1 Ų | 141.1 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -70.5 | 154.2 | -169.9 | -53.9 | 156.7 | 102.6 | 0 | 0 | 118.8 | ||||
| 580 | D | 25.6 | Very low | 31 | Very low | 170 Ų | 170 | 142.3 Ų | 142.3 | 91% | 0.909 | 78% | 0.777 | S | S | * | * | trans | -171.7 | 149.4 | 142.6 | -173.6 | 59.7 | 0 | 0 | 0 | 108 | ||||
| 581 | G | 27.2 | Very low | 33.1 | Very low | 66 Ų | 66 | 141.3 Ų | 141.3 | 68% | 0.68 | 77% | 0.772 | S | S | * | * | cis | 166.1 | 159.9 | -10.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 582 | G | 26.6 | Very low | 35.6 | Very low | 86 Ų | 86 | 134.5 Ų | 134.5 | 89% | 0.887 | 74% | 0.743 | S | S | * | * | trans | 142.4 | 92.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 583 | S | 27.6 | Very low | 38 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | trans | -90.4 | 150.4 | 174.6 | 171.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 584 | R | 30.5 | Very low | 40.8 | Very low | 227 Ų | 227 | 129.2 Ų | 129.2 | 86% | 0.857 | 72% | 0.72 | S | S | * | * | trans | -170.7 | 122.2 | 148.7 | -103.7 | 154.5 | -164.2 | -159.1 | 5 | 114.2 | ||||
| 585 | H | 31.3 | Very low | 43.8 | Very low | 182 Ų | 182 | 128.2 Ų | 128.2 | 84% | 0.843 | 70% | 0.696 | S | S | * | * | trans | 24.5 | 150.2 | 147.9 | -55.4 | -61.2 | 0 | 0 | 0 | 122.7 | ||||
| 586 | A | 31.8 | Very low | 46.9 | Very low | 83 Ų | 83 | 120.9 Ų | 120.9 | 69% | 0.686 | 67% | 0.665 | S | S | * | * | cis | -176.2 | 175.1 | -16.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 587 | S | 44 | Very low | 49.9 | Very low | 117 Ų | 117 | 118 Ų | 118 | 82% | 0.818 | 65% | 0.653 | S | S | * | * | trans | 81.1 | 80.5 | 167.6 | 79.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 588 | Q | 40.9 | Very low | 53.1 | Low | 154 Ų | 154 | 113.6 Ų | 113.6 | 72% | 0.72 | 63% | 0.634 | S | S | * | * | trans | -131.3 | 101.5 | 142.3 | -65.3 | 179.5 | -2.8 | 0 | 0 | 104.7 | E592 | Q588-E592 HydrophobicContact CB-CB 4.28Š| ||
| 589 | S | 55.3 | Low | 56.3 | Low | 79 Ų | 79 | 108.4 Ų | 108.4 | 55% | 0.552 | 61% | 0.605 | S | S | * | * | 72.4 | 129.5 | 83 | -164.9 | 0 | 0 | 0 | 0 | 111.9 | E591 E592 | S589-E591 PolarHBondContact O-N 2.69Å; S589-E592 PolarHBondContact O-N 2.87Å | |||
| 590 | E | 57.7 | Low | 59.4 | Low | 160 Ų | 160 | 105.7 Ų | 105.7 | 75% | 0.748 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -57.2 | -20.9 | -172.7 | -61 | 173.7 | 163.2 | 0 | 0 | 113.4 | E592 E593 N594 | E590-E592 VanDerWaalsContact C-N 3.31Å; E590-E592 PolarHBondContact O-N 2.84Å; E590-E593 PolarHBondContact O-N 3.29Å; E590-N594 PolarHBondContact O-N 3.5Å; E590-N594 PolarHBondContact O-ND2 2.73Å |
| 591 | E | 67.7 | Low | 62.5 | Low | 146 Ų | 146 | 103.3 Ų | 103.3 | 68% | 0.682 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -59.9 | -37.5 | 172.4 | -64.2 | 177.3 | 125.4 | 0 | 0 | 112.5 | S589 N594 L595 | S589-E591 PolarHBondContact O-N 2.69Å; E591-N594 WeakPolarHBondContact O-CB 3.32Å; E591-N594 PolarHBondContact O-N 3.09Å; E591-L595 WeakPolarHBondContact O-CG 3.44Å; E591-L595 PolarHBondContact O-N 3.14Å |
| 592 | E | 81.6 | Confident | 65.7 | Low | 49 Ų | 49 | 100.6 Ų | 100.6 | 23% | 0.229 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -71.8 | -33.7 | -177.6 | -177.4 | 52.5 | -151.6 | 0 | 0 | 112.3 | Q588 S589 E590 L595 A596 R599 | Q588-E592 HydrophobicContact CB-CB 4.28Å; S589-E592 PolarHBondContact O-N 2.87Å; E590-E592 VanDerWaalsContact C-N 3.31Å; E590-E592 PolarHBondContact O-N 2.84Å; E592-L595 PolarHBondContact O-N 3.26Å; E592-A596 WeakPolarHBondContact O-CB 3.47Å; E592-A596 PolarHBondContact O-N 3.49Å; E592-R599 IonicContact OE1-CZ 3.16Å; E592-R599 IonicContact OE1-NH2 2.71Å; E592-R599 PolarHBondContact OE1-NH2 3.01Å |
| 593 | E | 75.9 | Confident | 69.1 | Low | 146 Ų | 146 | 96.5 Ų | 96.5 | 68% | 0.682 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67 | -38.8 | 173 | -171.7 | 170 | -166.8 | 0 | 0 | 111.1 | E590 A596 V597 | E590-E593 PolarHBondContact O-N 3.29Å; E593-A596 PolarHBondContact O-N 3.5Å; E593-V597 WeakPolarHBondContact O-CG2 3.38Å; E593-V597 PolarHBondContact O-N 2.99Å |
| 594 | N | 83.1 | Confident | 72.2 | Confident | 106 Ų | 106 | 94.3 Ų | 94.3 | 57% | 0.567 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -65 | -40.3 | 172.4 | -76.9 | -83.1 | 0 | 0 | 0 | 112.1 | E590 E591 V597 L598 | E590-N594 PolarHBondContact O-N 3.5Å; E590-N594 PolarHBondContact O-ND2 2.73Å; E591-N594 WeakPolarHBondContact O-CB 3.32Å; E591-N594 PolarHBondContact O-N 3.09Å; N594-V597 PolarHBondContact O-N 3.28Å; N594-L598 WeakPolarHBondContact O-CG 3.21Å; N594-L598 PolarHBondContact O-N 3.19Å |
| 595 | L | 88.4 | Confident | 75.3 | Confident | 54 Ų | 54 | 88.5 Ų | 88.5 | 28% | 0.283 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.1 | -42 | 174.2 | -70.7 | 173.9 | 0 | 0 | 0 | 111.7 | E591 E592 V597 L598 R599 Y751 | E591-L595 WeakPolarHBondContact O-CG 3.44Å; E591-L595 PolarHBondContact O-N 3.14Å; E592-L595 PolarHBondContact O-N 3.26Å; L595-V597 VanDerWaalsContact C-N 3.33Å; L595-V597 PolarHBondContact O-N 3.13Å; L595-L598 CarbonylContact O-C 3.47Å; L595-L598 PolarHBondContact O-N 3.29Å; L595-L598 VanDerWaalsContact O-N 3.09Å; L595-R599 WeakPolarHBondContact O-CG 3.42Å; L595-R599 PolarHBondContact O-N 3.29Å; L595-Y751 HydrophobicContact CD2-CD1 4.01Å |
| 596 | A | 86.9 | Confident | 78.4 | Confident | 21 Ų | 21 | 80 Ų | 80 | 17% | 0.174 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -61.6 | -38 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E592 E593 R600 | E592-A596 WeakPolarHBondContact O-CB 3.47Å; E592-A596 PolarHBondContact O-N 3.49Å; E593-A596 PolarHBondContact O-N 3.5Å; A596-R600 PolarHBondContact O-N 3.36Å; A596-R600 VanDerWaalsContact O-N 3.08Å |
| 597 | V | 88.8 | Confident | 81.5 | Confident | 63 Ų | 63 | 76.3 Ų | 76.3 | 38% | 0.382 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63 | -42.7 | 171.2 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | E593 N594 L595 R600 H601 | E593-V597 WeakPolarHBondContact O-CG2 3.38Å; E593-V597 PolarHBondContact O-N 2.99Å; N594-V597 PolarHBondContact O-N 3.28Å; L595-V597 VanDerWaalsContact C-N 3.33Å; L595-V597 PolarHBondContact O-N 3.13Å; V597-R600 PolarHBondContact O-N 2.91Å; V597-H601 PolarHBondContact O-N 3.32Å; V597-H601 VanDerWaalsContact O-N 3.14Å; V597-H601 PolarHBondContact O-ND1 2.97Å |
| 598 | L | 91.1 | Very high | 83.9 | Confident | 67 Ų | 67 | 76.8 Ų | 76.8 | 35% | 0.351 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -67.3 | -43.3 | 177.6 | -70.1 | 166.1 | 0 | 0 | 0 | 112.3 | N594 L595 R600 H601 V602 Y751 | N594-L598 WeakPolarHBondContact O-CG 3.21Å; N594-L598 PolarHBondContact O-N 3.19Å; L595-L598 CarbonylContact O-C 3.47Å; L595-L598 PolarHBondContact O-N 3.29Å; L595-L598 VanDerWaalsContact O-N 3.09Å; L598-R600 VanDerWaalsContact C-N 3.28Å; L598-R600 PolarHBondContact O-N 3.32Å; L598-H601 WeakPolarHBondContact O-CB 3.36Å; L598-H601 PolarHBondContact O-N 3.31Å; L598-H601 VanDerWaalsContact O-N 3.09Å; L598-V602 PolarHBondContact O-N 3.49Å; L598-V602 VanDerWaalsContact O-N 3.16Å; L598-Y751 HydrophobicContact CB-CD1 3.99Å; L598-Y751 HydrophobicContact CB-CD2 3.77Å; L598-Y751 HydrophobicContact CB-CE1 4.18Å; L598-Y751 HydrophobicContact CB-CE2 3.97Å; L598-Y751 HydrophobicContact CB-CG 3.79Å; L598-Y751 HydrophobicContact CD1-CD1 3.89Å; L598-Y751 HydrophobicContact CD1-CE1 3.74Å; L598-Y751 HydrophobicContact CG-CE1 4.4Å |
| 599 | R | 93.3 | Very high | 86.6 | Confident | 15 Ų | 15 | 71.8 Ų | 71.8 | 6% | 0.057 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -53.7 | -44.7 | 172.3 | -71.2 | -175.1 | -81.4 | 123.4 | -22.3 | 111.4 | E592 L595 H601 V602 M603 P674 E675 M748 Y751 S752 | E592-R599 IonicContact OE1-CZ 3.16Å; E592-R599 IonicContact OE1-NH2 2.71Å; E592-R599 PolarHBondContact OE1-NH2 3.01Å; L595-R599 WeakPolarHBondContact O-CG 3.42Å; L595-R599 PolarHBondContact O-N 3.29Å; R599-H601 PolarHBondContact O-N 2.84Å; R599-V602 PolarHBondContact O-N 2.98Å; R599-M603 PolarHBondContact O-N 3.15Å; R599-P674 HydrophobicContact CB-CB 4.43Å; R599-P674 HydrophobicContact CB-CG 3.85Å; R599-E675 IonicContact CZ-OE1 2.71Å; R599-E675 IonicContact CZ-OE2 2.76Å; R599-E675 IonicContact NH1-OE1 2.61Å; R599-E675 PolarHBondContact NH1-OE1 2.89Å; R599-E675 IonicContact NH1-OE2 2.72Å; R599-E675 PolarHBondContact NH1-OE2 3.29Å; R599-E675 IonicContact NH2-OE1 2.75Å; R599-M748 HydrophobicContact CB-SD 3.92Å; R599-M748 HydrophobicContact CG-SD 4.08Å; R599-Y751 WeakPolarHBondContact CD-O 3.28Å; R599-S752 VanDerWaalsContact CD-OG 3.3Å; R599-S752 WeakPolarHBondContact CD-OG 3.4Å |
| 600 | R | 91.6 | Very high | 88.6 | Confident | 114 Ų | 114 | 68 Ų | 68 | 43% | 0.43 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.6 | -35.3 | 176.8 | -166.8 | 175.8 | -65.2 | 105.1 | 2.6 | 113.5 | A596 V597 L598 M603 N604 | A596-R600 PolarHBondContact O-N 3.36Å; A596-R600 VanDerWaalsContact O-N 3.08Å; V597-R600 PolarHBondContact O-N 2.91Å; L598-R600 VanDerWaalsContact C-N 3.28Å; L598-R600 PolarHBondContact O-N 3.32Å; R600-M603 PolarHBondContact O-N 2.97Å; R600-N604 WeakPolarHBondContact O-CB 3.33Å; R600-N604 VanDerWaalsContact O-CG 3.25Å; R600-N604 PolarHBondContact O-N 2.99Å; R600-N604 PolarHBondContact O-OD1 3.01Å |
| 601 | H | 92.1 | Very high | 90.5 | Very high | 120 Ų | 120 | 64.8 Ų | 64.8 | 56% | 0.556 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -64.3 | -43.4 | 174.1 | -77.1 | 79.8 | 0 | 0 | 0 | 112 | V597 L598 R599 M603 N604 E605 | V597-H601 PolarHBondContact O-N 3.32Å; V597-H601 VanDerWaalsContact O-N 3.14Å; V597-H601 PolarHBondContact O-ND1 2.97Å; L598-H601 WeakPolarHBondContact O-CB 3.36Å; L598-H601 PolarHBondContact O-N 3.31Å; L598-H601 VanDerWaalsContact O-N 3.09Å; R599-H601 PolarHBondContact O-N 2.84Å; H601-M603 VanDerWaalsContact C-N 3.31Å; H601-M603 PolarHBondContact O-N 3.28Å; H601-N604 PolarHBondContact O-N 3.19Å; H601-E605 PolarHBondContact O-N 3.44Å |
| 602 | V | 94.1 | Very high | 91.8 | Very high | 10 Ų | 10 | 59.9 Ų | 59.9 | 6% | 0.061 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.8 | -38.4 | 176.7 | -175.7 | 0 | 0 | 0 | 0 | 111.2 | L598 R599 E605 L606 L744 E747 M748 Y751 | L598-V602 PolarHBondContact O-N 3.49Å; L598-V602 VanDerWaalsContact O-N 3.16Å; R599-V602 PolarHBondContact O-N 2.98Å; V602-E605 PolarHBondContact O-N 3.08Å; V602-L606 WeakPolarHBondContact O-CB 3.46Å; V602-L606 PolarHBondContact O-N 3.46Å; V602-L744 HydrophobicContact CG1-CD2 4.39Å; V602-L744 WeakPolarHBondContact CG1-O 3.27Å; V602-E747 HydrophobicContact CG1-CB 4.45Å; V602-E747 HydrophobicContact CG2-CB 4.32Å; V602-E747 HydrophobicContact CG2-CG 3.66Å; V602-M748 HydrophobicContact CB-CE 3.87Å; V602-M748 HydrophobicContact CB-SD 4.32Å; V602-M748 HydrophobicContact CG1-CB 4.21Å; V602-M748 HydrophobicContact CG1-CE 3.9Å; V602-Y751 HydrophobicContact CG2-CD2 3.94Å; V602-Y751 HydrophobicContact CG2-CE2 3.85Å |
| 603 | M | 96.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.5 | -41.6 | 176.8 | -162.7 | 62.3 | -165.9 | 0 | 0 | 112.4 | R599 R600 H601 L606 L607 L667 P674 V677 M748 | R599-M603 PolarHBondContact O-N 3.15Å; R600-M603 PolarHBondContact O-N 2.97Å; H601-M603 VanDerWaalsContact C-N 3.31Å; H601-M603 PolarHBondContact O-N 3.28Å; M603-L606 PolarHBondContact O-N 3.48Å; M603-L606 HydrophobicContact SD-CD2 4.08Å; M603-L607 HydrophobicContact CE-CD1 4.15Å; M603-L607 HydrophobicContact CE-CD2 4.4Å; M603-L607 HydrophobicContact CE-CG 4.17Å; M603-L607 HydrophobicContact CG-CD1 4.31Å; M603-L607 WeakPolarHBondContact O-CB 3.39Å; M603-L607 WeakPolarHBondContact O-CG 3.42Å; M603-L607 PolarHBondContact O-N 3.24Å; M603-L667 HydrophobicContact CE-CB 4.41Å; M603-L667 WeakPolarHBondContact CE-O 3.17Å; M603-P674 HydrophobicContact CB-CB 3.76Å; M603-P674 HydrophobicContact CG-CB 3.93Å; M603-P674 HydrophobicContact SD-CB 4.18Å; M603-V677 HydrophobicContact CE-CG2 3.9Å; M603-V677 HydrophobicContact SD-CB 4.26Å; M603-V677 HydrophobicContact SD-CG2 4.02Å; M603-M748 HydrophobicContact CB-CE 4.04Å; M603-M748 HydrophobicContact SD-CE 4.15Å |
| 604 | N | 93.1 | Very high | 93.6 | Very high | 67 Ų | 67 | 51.4 Ų | 51.4 | 36% | 0.358 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.9 | -46.4 | 174.8 | -70.8 | -3 | 0 | 0 | 0 | 111.2 | R600 H601 L606 L607 E608 | R600-N604 WeakPolarHBondContact O-CB 3.33Å; R600-N604 VanDerWaalsContact O-CG 3.25Å; R600-N604 PolarHBondContact O-N 2.99Å; R600-N604 PolarHBondContact O-OD1 3.01Å; H601-N604 PolarHBondContact O-N 3.19Å; N604-L606 VanDerWaalsContact C-N 3.35Å; N604-L606 PolarHBondContact O-N 3.03Å; N604-L607 PolarHBondContact O-N 3.11Å; N604-E608 WeakPolarHBondContact O-CB 3.39Å; N604-E608 WeakPolarHBondContact O-CG 3.23Å; N604-E608 PolarHBondContact O-N 3.38Å |
| 605 | E | 95.9 | Very high | 94.2 | Very high | 105 Ų | 105 | 52.6 Ų | 52.6 | 49% | 0.491 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.8 | -44.9 | 175.3 | -175.5 | -178.8 | 163.2 | 0 | 0 | 111.3 | H601 V602 L607 T609 L744 | H601-E605 PolarHBondContact O-N 3.44Å; V602-E605 PolarHBondContact O-N 3.08Å; E605-L607 VanDerWaalsContact C-N 3.35Å; E605-L607 PolarHBondContact O-N 3.41Å; E605-T609 HydrophobicContact CG-CG2 4.09Å; E605-T609 VanDerWaalsContact O-CB 3.3Å; E605-T609 WeakPolarHBondContact O-CB 3.38Å; E605-T609 VanDerWaalsContact O-CG2 3.3Å; E605-T609 WeakPolarHBondContact O-CG2 3.3Å; E605-T609 PolarHBondContact O-N 2.74Å; E605-T609 PolarHBondContact O-OG1 3.43Å; E605-L744 HydrophobicContact CG-CD2 4.2Å |
| 606 | L | 95.9 | Very high | 94.6 | Very high | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56.4 | -47.9 | 177.6 | 174.4 | 60.6 | 0 | 0 | 0 | 111.4 | V602 M603 N604 T609 E610 L667 V677 F681 R737 Y741 L744 | V602-L606 WeakPolarHBondContact O-CB 3.46Å; V602-L606 PolarHBondContact O-N 3.46Å; M603-L606 PolarHBondContact O-N 3.48Å; M603-L606 HydrophobicContact SD-CD2 4.08Å; N604-L606 VanDerWaalsContact C-N 3.35Å; N604-L606 PolarHBondContact O-N 3.03Å; L606-T609 PolarHBondContact O-OG1 3.06Å; L606-E610 VanDerWaalsContact O-CB 3.22Å; L606-E610 WeakPolarHBondContact O-CB 3.4Å; L606-E610 PolarHBondContact O-N 3.21Å; L606-L667 HydrophobicContact CD1-CD1 4.27Å; L606-L667 HydrophobicContact CD2-CD1 4.47Å; L606-L667 HydrophobicContact CD2-CD2 3.92Å; L606-L667 HydrophobicContact CG-CD1 4.21Å; L606-V677 HydrophobicContact CD2-CG2 4.19Å; L606-F681 HydrophobicContact CD1-CZ 4.41Å; L606-F681 HydrophobicContact CD2-CE2 4.29Å; L606-R737 PolarHBondContact O-NH2 3.37Å; L606-Y741 HydrophobicContact CD1-CD1 4.08Å; L606-Y741 HydrophobicContact CD1-CE1 4.07Å; L606-L744 HydrophobicContact CB-CD1 4.3Å; L606-L744 HydrophobicContact CD1-CD1 3.71Å |
| 607 | L | 97.1 | Very high | 95.1 | Very high | 5 Ų | 5 | 52.3 Ų | 52.3 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -71.6 | -45 | -179.5 | -72.6 | 172.9 | 0 | 0 | 0 | 113.6 | M603 N604 E605 E610 R611 L664 L667 E668 | M603-L607 HydrophobicContact CE-CD1 4.15Å; M603-L607 HydrophobicContact CE-CD2 4.4Å; M603-L607 HydrophobicContact CE-CG 4.17Å; M603-L607 HydrophobicContact CG-CD1 4.31Å; M603-L607 WeakPolarHBondContact O-CB 3.39Å; M603-L607 WeakPolarHBondContact O-CG 3.42Å; M603-L607 PolarHBondContact O-N 3.24Å; N604-L607 PolarHBondContact O-N 3.11Å; E605-L607 VanDerWaalsContact C-N 3.35Å; E605-L607 PolarHBondContact O-N 3.41Å; L607-E610 WeakPolarHBondContact O-CB 3.44Å; L607-E610 PolarHBondContact O-N 3.19Å; L607-R611 WeakPolarHBondContact O-CG 3.26Å; L607-R611 PolarHBondContact O-N 2.84Å; L607-L664 HydrophobicContact CD2-CD1 4.36Å; L607-L667 HydrophobicContact CD2-CB 3.68Å; L607-E668 HydrophobicContact CD2-CG 3.8Å |
| 608 | E | 95.4 | Very high | 95.5 | Very high | 127 Ų | 127 | 51.4 Ų | 51.4 | 59% | 0.593 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -62.2 | -45.5 | 177.6 | -73.9 | 176.1 | -164.6 | 0 | 0 | 111.1 | N604 E610 R611 A612 | N604-E608 WeakPolarHBondContact O-CB 3.39Å; N604-E608 WeakPolarHBondContact O-CG 3.23Å; N604-E608 PolarHBondContact O-N 3.38Å; E608-E610 VanDerWaalsContact C-N 3.29Å; E608-E610 PolarHBondContact O-N 3.35Å; E608-R611 PolarHBondContact O-N 3.49Å; E608-A612 WeakPolarHBondContact O-CB 3.47Å; E608-A612 PolarHBondContact O-N 3.36Å |
| 609 | T | 96.4 | Very high | 95.7 | Very high | 50 Ų | 50 | 50 Ų | 50 | 31% | 0.307 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -74.1 | -18.8 | 177.4 | 62.3 | 0 | 0 | 0 | 0 | 113.2 | E605 L606 Y613 R737 | E605-T609 HydrophobicContact CG-CG2 4.09Å; E605-T609 VanDerWaalsContact O-CB 3.3Å; E605-T609 WeakPolarHBondContact O-CB 3.38Å; E605-T609 VanDerWaalsContact O-CG2 3.3Å; E605-T609 WeakPolarHBondContact O-CG2 3.3Å; E605-T609 PolarHBondContact O-N 2.74Å; E605-T609 PolarHBondContact O-OG1 3.43Å; L606-T609 PolarHBondContact O-OG1 3.06Å; T609-Y613 VanDerWaalsContact O-CB 3.23Å; T609-Y613 WeakPolarHBondContact O-CB 3.48Å; T609-Y613 PolarHBondContact O-N 3.46Å; T609-R737 VanDerWaalsContact CB-NH1 3.31Å; T609-R737 PolarHBondContact O-NH1 3.35Å; T609-R737 PolarHBondContact OG1-NH1 3.26Å |
| 610 | E | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -73.9 | -47.3 | 170.2 | -172.9 | 66.6 | -172.7 | 0 | 0 | 111.4 | L606 L607 E608 Y613 V614 H659 L664 L667 R737 Y741 | L606-E610 VanDerWaalsContact O-CB 3.22Å; L606-E610 WeakPolarHBondContact O-CB 3.4Å; L606-E610 PolarHBondContact O-N 3.21Å; L607-E610 WeakPolarHBondContact O-CB 3.44Å; L607-E610 PolarHBondContact O-N 3.19Å; E608-E610 VanDerWaalsContact C-N 3.29Å; E608-E610 PolarHBondContact O-N 3.35Å; E610-Y613 PolarHBondContact O-N 3.22Å; E610-V614 WeakPolarHBondContact O-CG2 3.47Å; E610-V614 PolarHBondContact O-N 2.94Å; E610-H659 IonicContact OE1-CE1 3.56Å; E610-H659 IonicContact OE1-CG 2.59Å; E610-H659 IonicContact OE1-ND1 2.66Å; E610-H659 PolarHBondContact OE1-ND1 3.39Å; E610-L664 HydrophobicContact CB-CD1 4.04Å; E610-L664 HydrophobicContact CG-CB 3.83Å; E610-L664 HydrophobicContact CG-CD1 3.7Å; E610-L664 HydrophobicContact CG-CG 4.27Å; E610-L667 HydrophobicContact CG-CD1 4.16Å; E610-R737 VanDerWaalsContact CA-NH2 3.32Å; E610-R737 IonicContact OE2-CZ 2.78Å; E610-R737 IonicContact OE2-NE 3.13Å; E610-R737 PolarHBondContact OE2-NE 2.59Å; E610-R737 IonicContact OE2-NH2 3.16Å; E610-R737 PolarHBondContact OE2-NH2 3.48Å; E610-Y741 PolarHBondContact OE2-OH 3Å |
| 611 | R | 96.8 | Very high | 96.2 | Very high | 92 Ų | 92 | 44.8 Ų | 44.8 | 35% | 0.347 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.3 | -48.7 | 177.1 | -68 | 179.6 | -167.9 | 115.8 | -1.4 | 110.9 | L607 E608 Y613 V614 E615 L664 E668 | L607-R611 WeakPolarHBondContact O-CG 3.26Å; L607-R611 PolarHBondContact O-N 2.84Å; E608-R611 PolarHBondContact O-N 3.49Å; R611-Y613 VanDerWaalsContact C-N 3.34Å; R611-Y613 PolarHBondContact O-N 2.88Å; R611-V614 PolarHBondContact O-N 2.85Å; R611-E615 WeakPolarHBondContact O-CG 3.34Å; R611-E615 PolarHBondContact O-N 3.03Å; R611-L664 HydrophobicContact CG-CD1 3.65Å; R611-L664 HydrophobicContact CG-CD2 3.94Å; R611-L664 HydrophobicContact CG-CG 4.45Å; R611-E668 IonicContact CZ-OE1 2.68Å; R611-E668 IonicContact NE-OE1 3.41Å; R611-E668 PolarHBondContact NE-OE1 2.81Å; R611-E668 VanDerWaalsContact NE-OE1 3.11Å; R611-E668 IonicContact NH2-OE1 3.87Å; R611-E668 PolarHBondContact NH2-OE1 2.81Å |
| 612 | A | 95.1 | Very high | 96.4 | Very high | 42 Ų | 42 | 44.6 Ų | 44.6 | 35% | 0.347 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -57 | -45.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E608 V614 E615 E616 | E608-A612 WeakPolarHBondContact O-CB 3.47Å; E608-A612 PolarHBondContact O-N 3.36Å; A612-V614 PolarHBondContact O-N 3.42Å; A612-E615 PolarHBondContact O-N 2.86Å; A612-E616 WeakPolarHBondContact O-CB 3.3Å; A612-E616 WeakPolarHBondContact O-CG 3.43Å; A612-E616 PolarHBondContact O-N 3.46Å |
| 613 | Y | 98 | Very high | 96.4 | Very high | 8 Ų | 8 | 44.6 Ų | 44.6 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.3 | -44.4 | 176.9 | 173 | -119.2 | 0 | 0 | 0 | 112.7 | T609 E610 R611 E615 E616 L617 I655 H659 Y691 K733 P734 R737 | T609-Y613 VanDerWaalsContact O-CB 3.23Å; T609-Y613 WeakPolarHBondContact O-CB 3.48Å; T609-Y613 PolarHBondContact O-N 3.46Å; E610-Y613 PolarHBondContact O-N 3.22Å; R611-Y613 VanDerWaalsContact C-N 3.34Å; R611-Y613 PolarHBondContact O-N 2.88Å; Y613-E615 PolarHBondContact O-N 3.07Å; Y613-E616 PolarHBondContact O-N 2.86Å; Y613-L617 HydrophobicContact CD2-CD2 4.49Å; Y613-L617 HydrophobicContact CD2-CG 4.16Å; Y613-L617 HydrophobicContact CE1-CD1 4.02Å; Y613-L617 HydrophobicContact CE2-CD1 3.85Å; Y613-L617 HydrophobicContact CE2-CD2 3.92Å; Y613-L617 HydrophobicContact CE2-CG 3.81Å; Y613-L617 WeakPolarHBondContact O-CG 3.43Å; Y613-L617 PolarHBondContact O-N 2.83Å; Y613-I655 VanDerWaalsContact OH-CG2 3.25Å; Y613-I655 WeakPolarHBondContact OH-CG2 3.32Å; Y613-H659 AromaticContact CE1-CD2 4Å; Y613-H659 AromaticContact CE1-CG 3.94Å; Y613-Y691 WeakPolarHBondContact CE1-OH 3.41Å; Y613-Y691 PolarHBondContact OH-OH 2.88Å; Y613-K733 HydrophobicContact CD2-CB 4.31Å; Y613-K733 HydrophobicContact CE2-CB 4.1Å; Y613-P734 WeakPolarHBondContact OH-CA 3.25Å; Y613-R737 HydrophobicContact CD1-CB 4.25Å; Y613-R737 HydrophobicContact CD1-CG 3.65Å; Y613-R737 HydrophobicContact CD2-CB 4.06Å; Y613-R737 HydrophobicContact CD2-CG 4.26Å; Y613-R737 HydrophobicContact CE1-CB 3.93Å; Y613-R737 HydrophobicContact CE1-CG 3.59Å; Y613-R737 HydrophobicContact CE2-CB 3.72Å; Y613-R737 HydrophobicContact CE2-CG 4.21Å; Y613-R737 HydrophobicContact CG-CB 4.29Å; Y613-R737 HydrophobicContact CG-CG 3.98Å |
| 614 | V | 98 | Very high | 96.4 | Very high | 9 Ų | 9 | 44.7 Ų | 44.7 | 6% | 0.055 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.9 | -39.8 | 176.8 | 166.9 | 0 | 0 | 0 | 0 | 111.9 | E610 R611 A612 L618 Y656 H659 K660 L664 | E610-V614 WeakPolarHBondContact O-CG2 3.47Å; E610-V614 PolarHBondContact O-N 2.94Å; R611-V614 PolarHBondContact O-N 2.85Å; A612-V614 PolarHBondContact O-N 3.42Å; V614-L618 PolarHBondContact O-N 2.88Å; V614-L618 VanDerWaalsContact O-N 3.11Å; V614-Y656 HydrophobicContact CG1-CD2 4.43Å; V614-Y656 HydrophobicContact CG1-CE2 3.93Å; V614-Y656 VanDerWaalsContact O-CE2 3.3Å; V614-Y656 WeakPolarHBondContact O-CE2 3.37Å; V614-H659 HydrophobicContact CG2-CB 3.79Å; V614-K660 HydrophobicContact CG1-CB 3.72Å; V614-K660 HydrophobicContact CG1-CD 4.01Å; V614-K660 HydrophobicContact CG1-CG 3.93Å; V614-L664 HydrophobicContact CG2-CD2 4.47Å |
| 615 | E | 96.4 | Very high | 96.5 | Very high | 132 Ų | 132 | 41.7 Ų | 41.7 | 62% | 0.617 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -69 | -43.9 | 176.8 | -72.6 | 171 | -175.3 | 0 | 0 | 112.1 | R611 A612 Y613 L617 L618 C619 | R611-E615 WeakPolarHBondContact O-CG 3.34Å; R611-E615 PolarHBondContact O-N 3.03Å; A612-E615 PolarHBondContact O-N 2.86Å; Y613-E615 PolarHBondContact O-N 3.07Å; E615-L617 PolarHBondContact O-N 3.48Å; E615-L618 WeakPolarHBondContact O-CB 3.28Å; E615-L618 PolarHBondContact O-N 3.47Å; E615-C619 PolarHBondContact O-N 3.38Å |
| 616 | E | 95.6 | Very high | 96.5 | Very high | 69 Ų | 69 | 39.6 Ų | 39.6 | 32% | 0.322 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.5 | -41.1 | 177 | -72 | 178.2 | 134.1 | 0 | 0 | 112.1 | A612 Y613 C619 V620 K733 | A612-E616 WeakPolarHBondContact O-CB 3.3Å; A612-E616 WeakPolarHBondContact O-CG 3.43Å; A612-E616 PolarHBondContact O-N 3.46Å; Y613-E616 PolarHBondContact O-N 2.86Å; E616-C619 PolarHBondContact O-N 3.1Å; E616-V620 WeakPolarHBondContact O-CG2 3.37Å; E616-V620 PolarHBondContact O-N 2.95Å; E616-V620 VanDerWaalsContact O-N 3.14Å; E616-K733 HydrophobicContact CB-CD 3.87Å; E616-K733 HydrophobicContact CG-CD 4.46Å; E616-K733 WeakPolarHBondContact OE1-CE 3.5Å; E616-K733 IonicContact OE1-NZ 2.85Å; E616-K733 PolarHBondContact OE1-NZ 3.03Å; E616-K733 WeakPolarHBondContact OE2-CD 3.28Å; E616-K733 VanDerWaalsContact OE2-CE 3.28Å; E616-K733 WeakPolarHBondContact OE2-CE 3.38Å; E616-K733 IonicContact OE2-NZ 3.47Å; E616-K733 PolarHBondContact OE2-NZ 3.3Å |
| 617 | L | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.9 | -40 | 173.1 | -70.3 | -165 | 0 | 0 | 0 | 112 | Y613 E615 C619 V620 L621 M652 I655 Y656 K733 P734 | Y613-L617 HydrophobicContact CD2-CD2 4.49Å; Y613-L617 HydrophobicContact CD2-CG 4.16Å; Y613-L617 HydrophobicContact CE1-CD1 4.02Å; Y613-L617 HydrophobicContact CE2-CD1 3.85Å; Y613-L617 HydrophobicContact CE2-CD2 3.92Å; Y613-L617 HydrophobicContact CE2-CG 3.81Å; Y613-L617 WeakPolarHBondContact O-CG 3.43Å; Y613-L617 PolarHBondContact O-N 2.83Å; E615-L617 PolarHBondContact O-N 3.48Å; L617-C619 VanDerWaalsContact C-N 3.35Å; L617-V620 PolarHBondContact O-N 3.39Å; L617-L621 WeakPolarHBondContact O-CB 3.48Å; L617-L621 VanDerWaalsContact O-CG 3.26Å; L617-L621 WeakPolarHBondContact O-CG 3.19Å; L617-L621 PolarHBondContact O-N 2.94Å; L617-M652 HydrophobicContact CD2-CE 3.8Å; L617-M652 HydrophobicContact CD2-CG 3.99Å; L617-M652 HydrophobicContact CD2-SD 3.87Å; L617-I655 HydrophobicContact CD1-CG2 3.84Å; L617-Y656 HydrophobicContact CB-CD2 3.94Å; L617-Y656 HydrophobicContact CB-CG 4.47Å; L617-K733 HydrophobicContact CD2-CB 4.5Å; L617-P734 HydrophobicContact CD2-CG 4.15Å |
| 618 | L | 97.4 | Very high | 96.4 | Very high | 43 Ų | 43 | 41.7 Ų | 41.7 | 23% | 0.225 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.2 | -45.3 | 175.2 | 178.7 | 55.5 | 0 | 0 | 0 | 111.3 | V614 E615 V620 L621 Q622 Y656 | V614-L618 PolarHBondContact O-N 2.88Å; V614-L618 VanDerWaalsContact O-N 3.11Å; E615-L618 WeakPolarHBondContact O-CB 3.28Å; E615-L618 PolarHBondContact O-N 3.47Å; L618-V620 VanDerWaalsContact C-N 3.31Å; L618-V620 PolarHBondContact O-N 2.92Å; L618-L621 PolarHBondContact O-N 2.73Å; L618-Q622 HydrophobicContact CD1-CG 3.74Å; L618-Q622 PolarHBondContact O-N 3.34Å; L618-Y656 HydrophobicContact CB-CD2 4.44Å; L618-Y656 HydrophobicContact CB-CE2 3.65Å; L618-Y656 HydrophobicContact CD1-CE1 4.18Å; L618-Y656 HydrophobicContact CD1-CE2 4.41Å; L618-Y656 WeakPolarHBondContact CD1-OH 3.46Å; L618-Y656 WeakPolarHBondContact CD2-OH 3.34Å; L618-Y656 HydrophobicContact CG-CE2 4.48Å |
| 619 | C | 96 | Very high | 96.3 | Very high | 38 Ų | 38 | 40.7 Ų | 40.7 | 26% | 0.257 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58.7 | -42.7 | 179.7 | -166.7 | 0 | 0 | 0 | 0 | 111.6 | E615 E616 L617 G623 H723 | E615-C619 PolarHBondContact O-N 3.38Å; E616-C619 PolarHBondContact O-N 3.1Å; L617-C619 VanDerWaalsContact C-N 3.35Å; C619-G623 WeakPolarHBondContact O-CA 3.35Å; C619-G623 PolarHBondContact O-N 3.37Å; C619-H723 PolarHBondContact SG-NE2 3.34Å |
| 620 | V | 97 | Very high | 96.2 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.6 | -47.3 | 174.5 | 175.7 | 0 | 0 | 0 | 0 | 112 | E616 L617 L618 Y624 A625 F649 M652 L727 Y730 | E616-V620 WeakPolarHBondContact O-CG2 3.37Å; E616-V620 PolarHBondContact O-N 2.95Å; E616-V620 VanDerWaalsContact O-N 3.14Å; L617-V620 PolarHBondContact O-N 3.39Å; L618-V620 VanDerWaalsContact C-N 3.31Å; L618-V620 PolarHBondContact O-N 2.92Å; V620-Y624 PolarHBondContact O-N 3.01Å; V620-A625 PolarHBondContact O-N 3.22Å; V620-A625 VanDerWaalsContact O-N 3.17Å; V620-F649 HydrophobicContact CG1-CD1 3.91Å; V620-F649 HydrophobicContact CG1-CE1 3.63Å; V620-M652 HydrophobicContact CB-SD 4.04Å; V620-M652 HydrophobicContact CG1-SD 3.63Å; V620-L727 HydrophobicContact CG1-CD1 3.74Å; V620-L727 HydrophobicContact CG2-CD1 4.49Å; V620-Y730 HydrophobicContact CG2-CD1 3.88Å; V620-Y730 HydrophobicContact CG2-CG 3.89Å |
| 621 | L | 97.6 | Very high | 95.9 | Very high | 19 Ų | 19 | 46.2 Ų | 46.2 | 10% | 0.099 | 25% | 0.251 | C | S | . | . | I | π-helix | trans | -68.3 | -39.6 | -174.3 | -71.1 | 174.7 | 0 | 0 | 0 | 112.3 | L617 L618 A625 S626 M652 P653 Y656 | L617-L621 WeakPolarHBondContact O-CB 3.48Å; L617-L621 VanDerWaalsContact O-CG 3.26Å; L617-L621 WeakPolarHBondContact O-CG 3.19Å; L617-L621 PolarHBondContact O-N 2.94Å; L618-L621 PolarHBondContact O-N 2.73Å; L621-A625 HydrophobicContact CD2-CB 4.1Å; L621-A625 CarbonylContact O-C 3.59Å; L621-A625 WeakPolarHBondContact O-CB 3.32Å; L621-A625 PolarHBondContact O-N 3.39Å; L621-S626 PolarHBondContact O-N 2.86Å; L621-S626 PolarHBondContact O-OG 3.47Å; L621-M652 HydrophobicContact CD1-CG 4.3Å; L621-M652 HydrophobicContact CD2-CB 4.17Å; L621-M652 HydrophobicContact CD2-CG 3.97Å; L621-M652 HydrophobicContact CD2-SD 4.22Å; L621-M652 HydrophobicContact CG-CG 4.16Å; L621-M652 HydrophobicContact CG-SD 4.32Å; L621-P653 HydrophobicContact CD1-CB 4.47Å; L621-P653 HydrophobicContact CD2-CG 3.8Å; L621-Y656 HydrophobicContact CD1-CD1 3.82Å; L621-Y656 HydrophobicContact CD1-CG 3.75Å |
| 622 | Q | 95.9 | Very high | 95.7 | Very high | 117 Ų | 117 | 45 Ų | 45 | 55% | 0.547 | 26% | 0.26 | S | S | . | . | I | π-helix | trans | -77.3 | -49.6 | 174.3 | -73.8 | 177 | -38.8 | 0 | 0 | 111.7 | L618 Y624 S626 | L618-Q622 HydrophobicContact CD1-CG 3.74Å; L618-Q622 PolarHBondContact O-N 3.34Å; Q622-Y624 PolarHBondContact O-N 2.86Å; Q622-S626 WeakPolarHBondContact O-CB 3.16Å |
| 623 | G | 95.3 | Very high | 95.6 | Very high | 10 Ų | 10 | 43.3 Ų | 43.3 | 10% | 0.103 | 25% | 0.245 | C | C | . | . | I | π-helix | trans | -77.5 | -18.2 | -169.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | C619 E627 C717 | C619-G623 WeakPolarHBondContact O-CA 3.35Å; C619-G623 PolarHBondContact O-N 3.37Å; G623-E627 WeakPolarHBondContact O-CG 3.41Å; G623-C717 WeakPolarHBondContact O-CB 3.33Å |
| 624 | Y | 96.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 0% | 0.004 | 27% | 0.267 | C | S | . | . | I | π-helix | trans | -127.5 | -49.9 | 172.6 | -58 | -97.2 | 0 | 0 | 0 | 112 | V620 Q622 S626 E627 M628 F714 C717 Q718 L721 H723 L727 | V620-Y624 PolarHBondContact O-N 3.01Å; Q622-Y624 PolarHBondContact O-N 2.86Å; Y624-S626 PolarHBondContact O-N 2.91Å; Y624-E627 PolarHBondContact O-N 2.71Å; Y624-M628 PolarHBondContact O-N 2.77Å; Y624-M628 VanDerWaalsContact O-N 3.08Å; Y624-F714 HydrophobicContact CD1-CD1 4.13Å; Y624-C717 HydrophobicContact CD1-CB 3.38Å; Y624-C717 HydrophobicContact CE1-CB 3.56Å; Y624-C717 HydrophobicContact CG-CB 4.14Å; Y624-Q718 HydrophobicContact CE1-CB 4.42Å; Y624-Q718 WeakPolarHBondContact OH-CA 3.3Å; Y624-Q718 WeakPolarHBondContact OH-CB 3.47Å; Y624-L721 HydrophobicContact CD2-CD1 3.74Å; Y624-L721 HydrophobicContact CE2-CD1 3.32Å; Y624-H723 AromaticContact CE2-ND1 3.67Å; Y624-H723 AromaticContact CZ-ND1 3.94Å; Y624-H723 PolarHBondContact OH-ND1 3.34Å; Y624-L727 HydrophobicContact CD1-CB 4.45Å; Y624-L727 HydrophobicContact CD1-CD1 4.39Å; Y624-L727 HydrophobicContact CD1-CD2 3.94Å; Y624-L727 HydrophobicContact CD1-CG 4.49Å; Y624-L727 HydrophobicContact CD2-CD1 3.83Å; Y624-L727 HydrophobicContact CE1-CB 4.09Å; Y624-L727 HydrophobicContact CE1-CD2 4.4Å; Y624-L727 HydrophobicContact CE2-CD1 4.01Å; Y624-L727 HydrophobicContact CG-CD1 4.01Å; Y624-L727 HydrophobicContact CG-CD2 4.1Å |
| 625 | A | 95.9 | Very high | 95 | Very high | 5 Ų | 5 | 53.1 Ų | 53.1 | 4% | 0.041 | 30% | 0.298 | C | S | . | . | I | π-helix | trans | -71.1 | -33.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V620 L621 K645 F649 | V620-A625 PolarHBondContact O-N 3.22Å; V620-A625 VanDerWaalsContact O-N 3.17Å; L621-A625 HydrophobicContact CD2-CB 4.1Å; L621-A625 CarbonylContact O-C 3.59Å; L621-A625 WeakPolarHBondContact O-CB 3.32Å; L621-A625 PolarHBondContact O-N 3.39Å; A625-K645 VanDerWaalsContact O-CE 3.27Å; A625-K645 WeakPolarHBondContact O-CE 3.2Å; A625-K645 PolarHBondContact O-NZ 3.26Å; A625-F649 HydrophobicContact CB-CD1 4.07Å; A625-F649 HydrophobicContact CB-CD2 3.66Å; A625-F649 HydrophobicContact CB-CE1 3.95Å; A625-F649 HydrophobicContact CB-CE2 3.53Å; A625-F649 HydrophobicContact CB-CG 3.95Å; A625-F649 HydrophobicContact CB-CZ 3.69Å |
| 626 | S | 95.6 | Very high | 94.9 | Very high | 61 Ų | 61 | 49 Ų | 49 | 43% | 0.427 | 28% | 0.28 | S | S | . | . | I | π-helix | trans | -78.5 | -33 | 170.2 | -63.5 | 0 | 0 | 0 | 0 | 112.7 | L621 Q622 Y624 M628 D629 N630 | L621-S626 PolarHBondContact O-N 2.86Å; L621-S626 PolarHBondContact O-OG 3.47Å; Q622-S626 WeakPolarHBondContact O-CB 3.16Å; Y624-S626 PolarHBondContact O-N 2.91Å; S626-M628 PolarHBondContact O-N 2.91Å; S626-D629 PolarHBondContact O-N 3.32Å; S626-N630 PolarHBondContact O-N 2.99Å |
| 627 | E | 95.3 | Very high | 94.7 | Very high | 33 Ų | 33 | 47.1 Ų | 47.1 | 15% | 0.154 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -63.6 | -24.4 | 174.6 | -73.4 | -69.5 | 81.1 | 0 | 0 | 112.7 | G623 Y624 D629 N630 M633 F713 K720 | G623-E627 WeakPolarHBondContact O-CG 3.41Å; Y624-E627 PolarHBondContact O-N 2.71Å; E627-D629 PolarHBondContact O-N 2.9Å; E627-N630 WeakPolarHBondContact O-CB 3.41Å; E627-N630 PolarHBondContact O-N 2.67Å; E627-N630 VanDerWaalsContact O-N 3.17Å; E627-N630 WeakPolarHBondContact OE1-CB 3.24Å; E627-N630 PolarHBondContact OE1-ND2 3Å; E627-M633 HydrophobicContact CB-CG 4.43Å; E627-M633 WeakPolarHBondContact O-CB 3.37Å; E627-M633 WeakPolarHBondContact OE2-CG 3.34Å; E627-F713 HydrophobicContact CB-CE2 4.01Å; E627-F713 HydrophobicContact CB-CZ 4Å; E627-K720 IonicContact OE2-NZ 2.72Å; E627-K720 PolarHBondContact OE2-NZ 2.91Å |
| 628 | M | 94.6 | Very high | 94.5 | Very high | 19 Ų | 19 | 49 Ų | 49 | 9% | 0.094 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -63.2 | -25.5 | 170.4 | -75.2 | -167.4 | 69.5 | 0 | 0 | 113.6 | Y624 S626 I637 L641 K645 F649 F713 | Y624-M628 PolarHBondContact O-N 2.77Å; Y624-M628 VanDerWaalsContact O-N 3.08Å; S626-M628 PolarHBondContact O-N 2.91Å; M628-I637 HydrophobicContact CB-CD1 4.42Å; M628-I637 WeakPolarHBondContact O-CD1 3.3Å; M628-L641 HydrophobicContact CE-CD1 3.84Å; M628-L641 HydrophobicContact CE-CD2 4.31Å; M628-L641 HydrophobicContact CE-CG 3.72Å; M628-L641 HydrophobicContact SD-CD1 4.34Å; M628-K645 HydrophobicContact CB-CD 4.43Å; M628-K645 HydrophobicContact CE-CB 4.03Å; M628-K645 HydrophobicContact SD-CB 3.99Å; M628-K645 HydrophobicContact SD-CG 4.27Å; M628-F649 HydrophobicContact SD-CE2 3.8Å; M628-F713 HydrophobicContact CB-CZ 4.2Å; M628-F713 HydrophobicContact CG-CE1 3.6Å; M628-F713 HydrophobicContact CG-CE2 4.28Å; M628-F713 HydrophobicContact CG-CZ 3.39Å |
| 629 | D | 93.5 | Very high | 94 | Very high | 106 Ų | 106 | 50.8 Ų | 50.8 | 57% | 0.567 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -95.5 | -5.3 | 177.3 | -47.8 | -28.6 | 0 | 0 | 0 | 111.8 | S626 E627 P631 K645 | S626-D629 PolarHBondContact O-N 3.32Å; E627-D629 PolarHBondContact O-N 2.9Å; D629-P631 WeakPolarHBondContact O-CD 3.36Å; D629-K645 IonicContact OD1-NZ 3.48Å; D629-K645 PolarHBondContact OD1-NZ 2.81Å; D629-K645 VanDerWaalsContact OD1-NZ 3.09Å; D629-K645 IonicContact OD2-NZ 3.9Å; D629-K645 PolarHBondContact OD2-NZ 3.26Å |
| 630 | N | 93.9 | Very high | 93.7 | Very high | 49 Ų | 49 | 51.4 Ų | 51.4 | 26% | 0.262 | 31% | 0.309 | S | S | . | . | trans | -75.4 | 119 | -176.2 | -178.5 | -13.9 | 0 | 0 | 0 | 110.4 | S626 E627 A632 M633 S634 | S626-N630 PolarHBondContact O-N 2.99Å; E627-N630 WeakPolarHBondContact O-CB 3.41Å; E627-N630 PolarHBondContact O-N 2.67Å; E627-N630 VanDerWaalsContact O-N 3.17Å; E627-N630 WeakPolarHBondContact OE1-CB 3.24Å; E627-N630 PolarHBondContact OE1-ND2 3Å; N630-A632 PolarHBondContact O-N 3.05Å; N630-A632 VanDerWaalsContact O-N 3.11Å; N630-A632 WeakPolarHBondContact OD1-CB 3.29Å; N630-A632 PolarHBondContact OD1-N 2.66Å; N630-M633 HydrophobicContact CB-CB 4.21Å; N630-M633 HydrophobicContact CB-CG 4.13Å; N630-M633 PolarHBondContact O-N 2.96Å; N630-S634 PolarHBondContact O-N 2.82Å; N630-S634 VanDerWaalsContact O-N 3.12Å | ||
| 631 | P | 92.4 | Very high | 93.4 | Very high | 118 Ų | 118 | 51.4 Ų | 51.4 | 77% | 0.766 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -30.1 | -179.5 | -26.4 | 35.8 | 0 | 0 | 0 | 114 | D629 M633 | D629-P631 WeakPolarHBondContact O-CD 3.36Å; P631-M633 VanDerWaalsContact C-N 3.29Å; P631-M633 PolarHBondContact O-N 3.5Å |
| 632 | A | 92.6 | Very high | 93 | Very high | 65 Ų | 65 | 56 Ų | 56 | 54% | 0.537 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -27.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | N630 H635 | N630-A632 PolarHBondContact O-N 3.05Å; N630-A632 VanDerWaalsContact O-N 3.11Å; N630-A632 WeakPolarHBondContact OD1-CB 3.29Å; N630-A632 PolarHBondContact OD1-N 2.66Å; A632-H635 PolarHBondContact O-CE1 3.5Å; A632-H635 PolarHBondContact O-ND1 3.17Å |
| 633 | M | 92.7 | Very high | 92.6 | Very high | 8 Ų | 8 | 58 Ų | 58 | 4% | 0.039 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -17.5 | -178.5 | -66.1 | -62.5 | -79 | 0 | 0 | 113.7 | E627 N630 P631 H635 L636 F713 E716 C717 K720 | E627-M633 HydrophobicContact CB-CG 4.43Å; E627-M633 WeakPolarHBondContact O-CB 3.37Å; E627-M633 WeakPolarHBondContact OE2-CG 3.34Å; N630-M633 HydrophobicContact CB-CB 4.21Å; N630-M633 HydrophobicContact CB-CG 4.13Å; N630-M633 PolarHBondContact O-N 2.96Å; P631-M633 VanDerWaalsContact C-N 3.29Å; P631-M633 PolarHBondContact O-N 3.5Å; M633-H635 PolarHBondContact O-N 3.27Å; M633-H635 VanDerWaalsContact O-N 3.07Å; M633-L636 HydrophobicContact CE-CD1 3.92Å; M633-L636 WeakPolarHBondContact O-CB 3.43Å; M633-L636 PolarHBondContact O-N 2.98Å; M633-L636 HydrophobicContact SD-CD1 3.98Å; M633-F713 HydrophobicContact CB-CD2 4.21Å; M633-F713 HydrophobicContact CB-CE2 4.03Å; M633-F713 HydrophobicContact CE-CD2 3.89Å; M633-F713 HydrophobicContact CE-CE2 4.05Å; M633-E716 HydrophobicContact CE-CB 4.15Å; M633-E716 HydrophobicContact CE-CG 4.05Å; M633-E716 HydrophobicContact SD-CG 4.48Å; M633-C717 VanDerWaalsContact CE-SG 3.53Å; M633-K720 PolarHBondContact SD-NZ 3.33Å |
| 634 | S | 91.3 | Very high | 92.6 | Very high | 71 Ų | 71 | 61.1 Ų | 61.1 | 50% | 0.497 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -48.7 | -38.8 | -176.4 | -178.2 | 0 | 0 | 0 | 0 | 113.9 | N630 L636 I637 | N630-S634 PolarHBondContact O-N 2.82Å; N630-S634 VanDerWaalsContact O-N 3.12Å; S634-L636 PolarHBondContact O-N 3.44Å; S634-I637 PolarHBondContact O-N 2.85Å |
| 635 | H | 92.1 | Very high | 92.5 | Very high | 152 Ų | 152 | 63.2 Ų | 63.2 | 70% | 0.704 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -69.2 | -12 | 180 | 75.5 | -83.1 | 0 | 0 | 0 | 115.1 | A632 M633 | A632-H635 PolarHBondContact O-CE1 3.5Å; A632-H635 PolarHBondContact O-ND1 3.17Å; M633-H635 PolarHBondContact O-N 3.27Å; M633-H635 VanDerWaalsContact O-N 3.07Å |
| 636 | L | 94 | Very high | 92.4 | Very high | 45 Ų | 45 | 68.9 Ų | 68.9 | 24% | 0.236 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -95.8 | -10.8 | 177.4 | -57.9 | 177.4 | 0 | 0 | 0 | 113 | M633 S634 P638 A712 F713 E716 | M633-L636 HydrophobicContact CE-CD1 3.92Å; M633-L636 WeakPolarHBondContact O-CB 3.43Å; M633-L636 PolarHBondContact O-N 2.98Å; M633-L636 HydrophobicContact SD-CD1 3.98Å; S634-L636 PolarHBondContact O-N 3.44Å; L636-P638 WeakPolarHBondContact O-CD 3.49Å; L636-A712 HydrophobicContact CD2-CB 4.13Å; L636-F713 HydrophobicContact CB-CB 3.94Å; L636-F713 WeakPolarHBondContact O-CB 3.27Å; L636-E716 HydrophobicContact CD1-CB 4.29Å; L636-E716 HydrophobicContact CD1-CG 4.48Å |
| 637 | I | 93.1 | Very high | 92.2 | Very high | 29 Ų | 29 | 68.4 Ų | 68.4 | 15% | 0.149 | 38% | 0.384 | C | S | . | . | trans | -82.5 | 116.3 | -174.8 | -58.6 | 176.7 | 0 | 0 | 0 | 109.1 | M628 S634 L641 F713 | M628-I637 HydrophobicContact CB-CD1 4.42Å; M628-I637 WeakPolarHBondContact O-CD1 3.3Å; S634-I637 PolarHBondContact O-N 2.85Å; I637-L641 HydrophobicContact CG2-CB 4.15Å; I637-L641 HydrophobicContact CG2-CD2 4.19Å; I637-L641 HydrophobicContact CG2-CG 4.08Å; I637-F713 HydrophobicContact CD1-CD2 4.32Å; I637-F713 HydrophobicContact CD1-CE2 4.31Å; I637-F713 HydrophobicContact CG1-CB 4.39Å; I637-F713 HydrophobicContact CG1-CD2 3.67Å; I637-F713 HydrophobicContact CG1-CE2 4.15Å; I637-F713 HydrophobicContact CG1-CG 3.99Å | ||
| 638 | P | 92.3 | Very high | 92.3 | Very high | 39 Ų | 39 | 66.9 Ų | 66.9 | 25% | 0.253 | 38% | 0.377 | S | S | . | . | trans | -76.7 | 153.4 | -178.3 | 35.1 | -38.8 | 0 | 0 | 0 | 111.3 | L636 P640 L641 Q642 C708 C711 | L636-P638 WeakPolarHBondContact O-CD 3.49Å; P638-P640 VanDerWaalsContact C-N 3.32Å; P638-P640 VanDerWaalsContact O-N 3.13Å; P638-L641 HydrophobicContact CG-CB 4.09Å; P638-L641 PolarHBondContact O-N 3.21Å; P638-Q642 PolarHBondContact O-N 3.36Å; P638-C708 HydrophobicContact CG-CB 4.08Å; P638-C711 HydrophobicContact CG-CB 3.75Å | ||
| 639 | A | 87.6 | Confident | 92.4 | Very high | 81 Ų | 81 | 66.1 Ų | 66.1 | 67% | 0.669 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | -35.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | L641 Q642 | A639-L641 PolarHBondContact O-N 2.94Å; A639-Q642 PolarHBondContact O-N 3.44Å |
| 640 | P | 87.9 | Confident | 92.5 | Very high | 52 Ų | 52 | 61.4 Ų | 61.4 | 34% | 0.338 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -23.3 | 174.6 | -24.4 | 36.1 | 0 | 0 | 0 | 114.7 | P638 K644 L704 | P638-P640 VanDerWaalsContact C-N 3.32Å; P638-P640 VanDerWaalsContact O-N 3.13Å; P640-K644 VanDerWaalsContact O-CD 3.23Å; P640-K644 WeakPolarHBondContact O-CD 3.45Å; P640-K644 WeakPolarHBondContact O-CE 3.22Å; P640-K644 PolarHBondContact O-NZ 2.87Å; P640-L704 VanDerWaalsContact O-CD1 3.31Å; P640-L704 WeakPolarHBondContact O-CD1 3.26Å |
| 641 | L | 91.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -22.8 | -177 | -179.7 | 58.5 | 0 | 0 | 0 | 113 | M628 I637 P638 A639 N643 K644 L648 L704 F713 F714 | M628-L641 HydrophobicContact CE-CD1 3.84Å; M628-L641 HydrophobicContact CE-CD2 4.31Å; M628-L641 HydrophobicContact CE-CG 3.72Å; M628-L641 HydrophobicContact SD-CD1 4.34Å; I637-L641 HydrophobicContact CG2-CB 4.15Å; I637-L641 HydrophobicContact CG2-CD2 4.19Å; I637-L641 HydrophobicContact CG2-CG 4.08Å; P638-L641 HydrophobicContact CG-CB 4.09Å; P638-L641 PolarHBondContact O-N 3.21Å; A639-L641 PolarHBondContact O-N 2.94Å; L641-N643 PolarHBondContact O-N 3.33Å; L641-K644 PolarHBondContact O-N 2.83Å; L641-L648 HydrophobicContact CD1-CD2 3.98Å; L641-L704 HydrophobicContact CD1-CD2 4.38Å; L641-F713 HydrophobicContact CD2-CD1 4.12Å; L641-F714 HydrophobicContact CD1-CZ 4.12Å; L641-F714 HydrophobicContact CD2-CE1 4.02Å; L641-F714 HydrophobicContact CD2-CE2 3.93Å; L641-F714 HydrophobicContact CD2-CZ 3.43Å; L641-F714 VanDerWaalsContact CD2-CZ 3.43Å; L641-F714 HydrophobicContact CG-CZ 4.44Å |
| 642 | Q | 88.3 | Confident | 92.9 | Very high | 114 Ų | 114 | 54.1 Ų | 54.1 | 53% | 0.533 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 133.6 | -178.2 | -163.7 | 173.4 | 21.2 | 0 | 0 | 111.6 | P638 A639 K644 | P638-Q642 PolarHBondContact O-N 3.36Å; A639-Q642 PolarHBondContact O-N 3.44Å; Q642-K644 PolarHBondContact O-N 3.49Å; Q642-K644 VanDerWaalsContact O-N 3.09Å |
| 643 | N | 89.1 | Confident | 93.2 | Very high | 159 Ų | 159 | 53.3 Ų | 53.3 | 85% | 0.85 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 8.2 | -175.3 | -55.6 | -27.2 | 0 | 0 | 0 | 116.3 | L641 | L641-N643 PolarHBondContact O-N 3.33Š|
| 644 | K | 93.4 | Very high | 93.4 | Very high | 77 Ų | 77 | 56.6 Ų | 56.6 | 34% | 0.335 | 31% | 0.309 | S | S | . | . | trans | -104 | 18.7 | -179.6 | -60.4 | -170.8 | -162.2 | 157.9 | 0 | 114.9 | P640 L641 Q642 E646 V647 L648 L704 | P640-K644 VanDerWaalsContact O-CD 3.23Å; P640-K644 WeakPolarHBondContact O-CD 3.45Å; P640-K644 WeakPolarHBondContact O-CE 3.22Å; P640-K644 PolarHBondContact O-NZ 2.87Å; L641-K644 PolarHBondContact O-N 2.83Å; Q642-K644 PolarHBondContact O-N 3.49Å; Q642-K644 VanDerWaalsContact O-N 3.09Å; K644-E646 VanDerWaalsContact C-N 3.35Å; K644-E646 PolarHBondContact O-N 3.26Å; K644-V647 HydrophobicContact CB-CB 4.32Å; K644-V647 HydrophobicContact CB-CG2 4.46Å; K644-V647 WeakPolarHBondContact O-CA 3.41Å; K644-V647 WeakPolarHBondContact O-CB 3.38Å; K644-V647 PolarHBondContact O-N 3Å; K644-L648 PolarHBondContact O-N 2.72Å; K644-L704 HydrophobicContact CB-CD2 3.62Å; K644-L704 HydrophobicContact CD-CD1 3.8Å; K644-L704 HydrophobicContact CD-CD2 4.1Å | ||
| 645 | K | 94.4 | Very high | 93.7 | Very high | 45 Ų | 45 | 53.2 Ų | 53.2 | 20% | 0.196 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -47.7 | -51.8 | 176.2 | 173.7 | 173.1 | 161.3 | 161.9 | 0 | 112.9 | A625 M628 D629 V647 L648 F649 | A625-K645 VanDerWaalsContact O-CE 3.27Å; A625-K645 WeakPolarHBondContact O-CE 3.2Å; A625-K645 PolarHBondContact O-NZ 3.26Å; M628-K645 HydrophobicContact CB-CD 4.43Å; M628-K645 HydrophobicContact CE-CB 4.03Å; M628-K645 HydrophobicContact SD-CB 3.99Å; M628-K645 HydrophobicContact SD-CG 4.27Å; D629-K645 IonicContact OD1-NZ 3.48Å; D629-K645 PolarHBondContact OD1-NZ 2.81Å; D629-K645 VanDerWaalsContact OD1-NZ 3.09Å; D629-K645 IonicContact OD2-NZ 3.9Å; D629-K645 PolarHBondContact OD2-NZ 3.26Å; K645-V647 PolarHBondContact O-N 3.09Å; K645-L648 PolarHBondContact O-N 3.19Å; K645-L648 VanDerWaalsContact O-N 3.1Å; K645-F649 HydrophobicContact CG-CD2 4Å; K645-F649 HydrophobicContact CG-CE2 4.4Å; K645-F649 WeakPolarHBondContact O-CD2 3.39Å; K645-F649 PolarHBondContact O-N 3.43Å |
| 646 | E | 94 | Very high | 94 | Very high | 124 Ų | 124 | 46.8 Ų | 46.8 | 58% | 0.579 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -64.2 | -24.1 | 178.8 | -56.5 | -53.9 | 112.5 | 0 | 0 | 113.3 | K644 G650 | K644-E646 VanDerWaalsContact C-N 3.35Å; K644-E646 PolarHBondContact O-N 3.26Å; E646-G650 WeakPolarHBondContact O-CA 3.35Å; E646-G650 PolarHBondContact O-N 3.48Å |
| 647 | V | 92.9 | Very high | 94.2 | Very high | 51 Ų | 51 | 48.1 Ų | 48.1 | 31% | 0.309 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -80 | -37.5 | 173.9 | -175.8 | 0 | 0 | 0 | 0 | 111 | K644 K645 N697 R700 S701 L704 | K644-V647 HydrophobicContact CB-CB 4.32Å; K644-V647 HydrophobicContact CB-CG2 4.46Å; K644-V647 WeakPolarHBondContact O-CA 3.41Å; K644-V647 WeakPolarHBondContact O-CB 3.38Å; K644-V647 PolarHBondContact O-N 3Å; K645-V647 PolarHBondContact O-N 3.09Å; V647-N697 PolarHBondContact O-ND2 3.05Å; V647-R700 HydrophobicContact CG1-CB 3.95Å; V647-S701 VanDerWaalsContact O-CA 3.29Å; V647-S701 WeakPolarHBondContact O-CA 3.3Å; V647-S701 VanDerWaalsContact O-CB 3.29Å; V647-S701 WeakPolarHBondContact O-CB 3.24Å; V647-L704 HydrophobicContact CB-CD2 4.1Å; V647-L704 HydrophobicContact CG1-CD2 4.13Å |
| 648 | L | 96 | Very high | 94.5 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -70.2 | -49.4 | 178.7 | -176.3 | 62.9 | 0 | 0 | 0 | 112.1 | L641 K644 K645 S701 L704 W705 F714 L727 L731 | L641-L648 HydrophobicContact CD1-CD2 3.98Å; K644-L648 PolarHBondContact O-N 2.72Å; K645-L648 PolarHBondContact O-N 3.19Å; K645-L648 VanDerWaalsContact O-N 3.1Å; L648-S701 VanDerWaalsContact O-CB 3.29Å; L648-S701 WeakPolarHBondContact O-CB 3.38Å; L648-S701 PolarHBondContact O-OG 2.74Å; L648-L704 HydrophobicContact CB-CD2 4.04Å; L648-W705 HydrophobicContact CD1-CB 4.38Å; L648-F714 HydrophobicContact CD2-CE1 3.73Å; L648-F714 HydrophobicContact CD2-CZ 3.61Å; L648-L727 HydrophobicContact CD2-CD2 4.1Å; L648-L731 HydrophobicContact CD1-CD1 3.83Å; L648-L731 HydrophobicContact CG-CD1 4.27Å |
| 649 | F | 97.4 | Very high | 94.7 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 1% | 0.013 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -93.3 | -12.4 | -175.8 | -61.2 | -76.8 | 0 | 0 | 0 | 114 | V620 A625 M628 K645 M652 Y694 L727 L731 | V620-F649 HydrophobicContact CG1-CD1 3.91Å; V620-F649 HydrophobicContact CG1-CE1 3.63Å; A625-F649 HydrophobicContact CB-CD1 4.07Å; A625-F649 HydrophobicContact CB-CD2 3.66Å; A625-F649 HydrophobicContact CB-CE1 3.95Å; A625-F649 HydrophobicContact CB-CE2 3.53Å; A625-F649 HydrophobicContact CB-CG 3.95Å; A625-F649 HydrophobicContact CB-CZ 3.69Å; M628-F649 HydrophobicContact SD-CE2 3.8Å; K645-F649 HydrophobicContact CG-CD2 4Å; K645-F649 HydrophobicContact CG-CE2 4.4Å; K645-F649 WeakPolarHBondContact O-CD2 3.39Å; K645-F649 PolarHBondContact O-N 3.43Å; F649-M652 WeakPolarHBondContact O-CB 3.38Å; F649-M652 PolarHBondContact O-N 2.99Å; F649-M652 VanDerWaalsContact O-N 3.11Å; F649-Y694 WeakPolarHBondContact O-CE2 3.47Å; F649-L727 HydrophobicContact CE1-CD1 4.14Å; F649-L727 HydrophobicContact CE1-CD2 4.17Å; F649-L727 HydrophobicContact CZ-CD2 4.18Å; F649-L731 HydrophobicContact CD1-CD2 3.83Å; F649-L731 HydrophobicContact CE1-CD2 4.28Å |
| 650 | G | 95.9 | Very high | 95.2 | Very high | 8 Ų | 8 | 46.5 Ų | 46.5 | 8% | 0.082 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | -143.2 | -173 | 0 | 0 | 0 | 0 | 0 | 111.5 | E646 M652 N697 | E646-G650 WeakPolarHBondContact O-CA 3.35Å; E646-G650 PolarHBondContact O-N 3.48Å; G650-M652 VanDerWaalsContact C-N 3.28Å; G650-M652 PolarHBondContact O-N 3.31Å; G650-N697 VanDerWaalsContact CA-ND2 3.31Å; G650-N697 WeakPolarHBondContact CA-ND2 3.48Å; G650-N697 PolarHBondContact N-ND2 2.66Å |
| 651 | N | 97.2 | Very high | 95.5 | Very high | 13 Ų | 13 | 51.2 Ų | 51.2 | 7% | 0.07 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 31.1 | 173.3 | 68.1 | -41.8 | 0 | 0 | 0 | 113.9 | P653 E654 I655 I690 K693 Y694 | N651-P653 VanDerWaalsContact C-N 3.26Å; N651-E654 HydrophobicContact CB-CB 4Å; N651-E654 VanDerWaalsContact CB-OE2 3.27Å; N651-E654 WeakPolarHBondContact CB-OE2 3.35Å; N651-E654 PolarHBondContact ND2-OE2 2.71Å; N651-E654 VanDerWaalsContact O-CB 3.32Å; N651-E654 WeakPolarHBondContact O-CB 3.33Å; N651-E654 PolarHBondContact O-N 3.45Å; N651-I655 PolarHBondContact O-N 3.04Å; N651-I655 VanDerWaalsContact O-N 3.15Å; N651-I690 PolarHBondContact ND2-O 3.36Å; N651-K693 HydrophobicContact CB-CD 4.11Å; N651-K693 HydrophobicContact CB-CG 4.28Å; N651-Y694 WeakPolarHBondContact OD1-CA 3.46Å; N651-Y694 VanDerWaalsContact OD1-CB 3.23Å; N651-Y694 WeakPolarHBondContact OD1-CB 3.26Å; N651-Y694 PolarHBondContact OD1-N 3.33Å; N651-Y694 VanDerWaalsContact OD1-N 3.09Å |
| 652 | M | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -50.9 | -36.4 | 171.5 | -175 | 174 | -77.1 | 0 | 0 | 114 | L617 V620 L621 F649 G650 E654 I655 Y656 Y694 L731 P734 | L617-M652 HydrophobicContact CD2-CE 3.8Å; L617-M652 HydrophobicContact CD2-CG 3.99Å; L617-M652 HydrophobicContact CD2-SD 3.87Å; V620-M652 HydrophobicContact CB-SD 4.04Å; V620-M652 HydrophobicContact CG1-SD 3.63Å; L621-M652 HydrophobicContact CD1-CG 4.3Å; L621-M652 HydrophobicContact CD2-CB 4.17Å; L621-M652 HydrophobicContact CD2-CG 3.97Å; L621-M652 HydrophobicContact CD2-SD 4.22Å; L621-M652 HydrophobicContact CG-CG 4.16Å; L621-M652 HydrophobicContact CG-SD 4.32Å; F649-M652 WeakPolarHBondContact O-CB 3.38Å; F649-M652 PolarHBondContact O-N 2.99Å; F649-M652 VanDerWaalsContact O-N 3.11Å; G650-M652 VanDerWaalsContact C-N 3.28Å; G650-M652 PolarHBondContact O-N 3.31Å; M652-E654 VanDerWaalsContact C-N 3.34Å; M652-E654 PolarHBondContact O-N 3.46Å; M652-I655 PolarHBondContact O-N 3.38Å; M652-Y656 VanDerWaalsContact O-CB 3.3Å; M652-Y656 WeakPolarHBondContact O-CB 3.49Å; M652-Y656 PolarHBondContact O-N 2.96Å; M652-Y694 HydrophobicContact CB-CE2 4.06Å; M652-Y694 HydrophobicContact CE-CE2 4.29Å; M652-Y694 WeakPolarHBondContact CE-OH 3.49Å; M652-L731 HydrophobicContact CE-CD2 4Å; M652-P734 HydrophobicContact CE-CG 3.94Å |
| 653 | P | 97.6 | Very high | 96.2 | Very high | 49 Ų | 49 | 47.6 Ų | 47.6 | 32% | 0.318 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.1 | -36.9 | 173.8 | -22.5 | 32.8 | 0 | 0 | 0 | 114.2 | L621 N651 H657 | L621-P653 HydrophobicContact CD1-CB 4.47Å; L621-P653 HydrophobicContact CD2-CG 3.8Å; N651-P653 VanDerWaalsContact C-N 3.26Å; P653-H657 WeakPolarHBondContact O-CB 3.48Å; P653-H657 VanDerWaalsContact O-CG 3.27Å; P653-H657 PolarHBondContact O-N 3.16Å |
| 654 | E | 97.8 | Very high | 96.5 | Very high | 76 Ų | 76 | 40.9 Ų | 40.9 | 36% | 0.355 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -67.7 | -47.2 | 179.2 | -169.7 | 176 | -122.2 | 0 | 0 | 110.2 | N651 M652 H657 F658 I690 K693 | N651-E654 HydrophobicContact CB-CB 4Å; N651-E654 VanDerWaalsContact CB-OE2 3.27Å; N651-E654 WeakPolarHBondContact CB-OE2 3.35Å; N651-E654 PolarHBondContact ND2-OE2 2.71Å; N651-E654 VanDerWaalsContact O-CB 3.32Å; N651-E654 WeakPolarHBondContact O-CB 3.33Å; N651-E654 PolarHBondContact O-N 3.45Å; M652-E654 VanDerWaalsContact C-N 3.34Å; M652-E654 PolarHBondContact O-N 3.46Å; E654-H657 PolarHBondContact O-N 2.98Å; E654-F658 PolarHBondContact O-N 3.09Å; E654-I690 HydrophobicContact CG-CG2 4.02Å; E654-K693 IonicContact OE1-NZ 2.67Å; E654-K693 PolarHBondContact OE1-NZ 2.85Å; E654-K693 WeakPolarHBondContact OE2-CD 3.41Å; E654-K693 WeakPolarHBondContact OE2-CE 3.35Å; E654-K693 IonicContact OE2-NZ 2.77Å; E654-K693 PolarHBondContact OE2-NZ 2.92Å |
| 655 | I | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.8 | -52.2 | 173.3 | -66.3 | -179.1 | 0 | 0 | 0 | 110.8 | Y613 L617 N651 M652 H657 F658 H659 I690 Y691 Y694 P734 | Y613-I655 VanDerWaalsContact OH-CG2 3.25Å; Y613-I655 WeakPolarHBondContact OH-CG2 3.32Å; L617-I655 HydrophobicContact CD1-CG2 3.84Å; N651-I655 PolarHBondContact O-N 3.04Å; N651-I655 VanDerWaalsContact O-N 3.15Å; M652-I655 PolarHBondContact O-N 3.38Å; I655-H657 VanDerWaalsContact C-N 3.3Å; I655-H657 PolarHBondContact O-N 3.46Å; I655-F658 PolarHBondContact O-N 3.14Å; I655-H659 PolarHBondContact O-CD2 3.33Å; I655-H659 VanDerWaalsContact O-CD2 3.27Å; I655-H659 PolarHBondContact O-N 3.42Å; I655-I690 HydrophobicContact CB-CD1 4.38Å; I655-I690 HydrophobicContact CG1-CB 4.39Å; I655-I690 HydrophobicContact CG1-CD1 3.9Å; I655-I690 HydrophobicContact CG1-CG1 3.89Å; I655-Y691 HydrophobicContact CD1-CD1 4.08Å; I655-Y691 HydrophobicContact CD1-CE1 4.13Å; I655-Y691 HydrophobicContact CD1-CG 4.45Å; I655-Y691 HydrophobicContact CG2-CE1 4.23Å; I655-Y691 HydrophobicContact CG2-CE2 4.45Å; I655-Y694 HydrophobicContact CD1-CD2 3.94Å; I655-Y694 HydrophobicContact CD1-CG 3.87Å; I655-P734 HydrophobicContact CD1-CB 4.08Å |
| 656 | Y | 98.3 | Very high | 96.7 | Very high | 17 Ų | 17 | 44.6 Ų | 44.6 | 7% | 0.067 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.2 | -43.7 | 178.5 | 168.7 | -109.9 | 0 | 0 | 0 | 112.5 | V614 L617 L618 L621 M652 K660 | V614-Y656 HydrophobicContact CG1-CD2 4.43Å; V614-Y656 HydrophobicContact CG1-CE2 3.93Å; V614-Y656 VanDerWaalsContact O-CE2 3.3Å; V614-Y656 WeakPolarHBondContact O-CE2 3.37Å; L617-Y656 HydrophobicContact CB-CD2 3.94Å; L617-Y656 HydrophobicContact CB-CG 4.47Å; L618-Y656 HydrophobicContact CB-CD2 4.44Å; L618-Y656 HydrophobicContact CB-CE2 3.65Å; L618-Y656 HydrophobicContact CD1-CE1 4.18Å; L618-Y656 HydrophobicContact CD1-CE2 4.41Å; L618-Y656 WeakPolarHBondContact CD1-OH 3.46Å; L618-Y656 WeakPolarHBondContact CD2-OH 3.34Å; L618-Y656 HydrophobicContact CG-CE2 4.48Å; L621-Y656 HydrophobicContact CD1-CD1 3.82Å; L621-Y656 HydrophobicContact CD1-CG 3.75Å; M652-Y656 VanDerWaalsContact O-CB 3.3Å; M652-Y656 WeakPolarHBondContact O-CB 3.49Å; M652-Y656 PolarHBondContact O-N 2.96Å; Y656-K660 HydrophobicContact CE1-CD 4.34Å; Y656-K660 HydrophobicContact CE2-CB 4.22Å; Y656-K660 HydrophobicContact CE2-CD 3.8Å; Y656-K660 VanDerWaalsContact CZ-CD 3.47Å; Y656-K660 VanDerWaalsContact O-CB 3.27Å; Y656-K660 WeakPolarHBondContact O-CB 3.49Å; Y656-K660 PolarHBondContact O-N 3.36Å; Y656-K660 WeakPolarHBondContact OH-CD 3.5Å; Y656-K660 PolarHBondContact OH-NZ 2.8Å |
| 657 | H | 97.8 | Very high | 96.8 | Very high | 74 Ų | 74 | 38.7 Ų | 38.7 | 34% | 0.343 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -67.6 | -42.7 | 179.5 | -76.9 | -9.8 | 0 | 0 | 0 | 113.1 | P653 E654 I655 R661 | P653-H657 WeakPolarHBondContact O-CB 3.48Å; P653-H657 VanDerWaalsContact O-CG 3.27Å; P653-H657 PolarHBondContact O-N 3.16Å; E654-H657 PolarHBondContact O-N 2.98Å; I655-H657 VanDerWaalsContact C-N 3.3Å; I655-H657 PolarHBondContact O-N 3.46Å; H657-R661 PolarHBondContact CD2-NH1 3.3Å; H657-R661 VanDerWaalsContact CD2-NH1 3.33Å; H657-R661 WeakPolarHBondContact O-CB 3.4Å; H657-R661 WeakPolarHBondContact O-CG 3.2Å; H657-R661 PolarHBondContact O-N 3Å |
| 658 | F | 98.1 | Very high | 96.9 | Very high | 17 Ų | 17 | 39.8 Ų | 39.8 | 8% | 0.075 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.7 | -52.5 | 173.9 | 165.3 | -114.2 | 0 | 0 | 0 | 111.4 | E654 I655 K660 T662 F663 R684 D687 L688 I690 | E654-F658 PolarHBondContact O-N 3.09Å; I655-F658 PolarHBondContact O-N 3.14Å; F658-K660 PolarHBondContact O-N 3.39Å; F658-T662 HydrophobicContact CD2-CG2 4.37Å; F658-T662 HydrophobicContact CE2-CG2 4.1Å; F658-T662 WeakPolarHBondContact O-CA 3.45Å; F658-T662 WeakPolarHBondContact O-CB 3.37Å; F658-T662 PolarHBondContact O-N 3.39Å; F658-F663 HydrophobicContact CD1-CB 4.5Å; F658-F663 HydrophobicContact CE1-CB 3.88Å; F658-F663 HydrophobicContact CE1-CD2 4.25Å; F658-F663 HydrophobicContact CE1-CG 4.02Å; F658-F663 HydrophobicContact CE2-CB 4.11Å; F658-F663 HydrophobicContact CE2-CD2 4.39Å; F658-F663 HydrophobicContact CZ-CB 3.66Å; F658-F663 AromaticContact CZ-CD2 3.6Å; F658-F663 HydrophobicContact CZ-CD2 3.6Å; F658-F663 HydrophobicContact CZ-CE2 4.48Å; F658-F663 AromaticContact CZ-CG 3.76Å; F658-F663 HydrophobicContact CZ-CG 3.76Å; F658-F663 PolarHBondContact O-N 3.39Å; F658-R684 HydrophobicContact CE2-CB 4.31Å; F658-R684 HydrophobicContact CE2-CG 4.35Å; F658-R684 HydrophobicContact CZ-CB 4.01Å; F658-R684 HydrophobicContact CZ-CG 4.4Å; F658-D687 HydrophobicContact CD2-CB 3.71Å; F658-D687 HydrophobicContact CE2-CB 3.38Å; F658-D687 HydrophobicContact CG-CB 4.41Å; F658-D687 HydrophobicContact CZ-CB 3.83Å; F658-L688 HydrophobicContact CE1-CD2 3.73Å; F658-L688 HydrophobicContact CE1-CG 4.13Å; F658-L688 HydrophobicContact CZ-CD2 4.3Å; F658-L688 HydrophobicContact CZ-CG 4.26Å; F658-I690 HydrophobicContact CB-CD1 3.77Å; F658-I690 HydrophobicContact CD1-CD1 3.8Å; F658-I690 HydrophobicContact CG-CD1 4.01Å |
| 659 | H | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | I | π-helix | trans | -63.4 | -43.6 | -177 | -80 | -76.4 | 0 | 0 | 0 | 112.5 | E610 Y613 V614 I655 F663 L664 Y691 Y741 | E610-H659 IonicContact OE1-CE1 3.56Å; E610-H659 IonicContact OE1-CG 2.59Å; E610-H659 IonicContact OE1-ND1 2.66Å; E610-H659 PolarHBondContact OE1-ND1 3.39Å; Y613-H659 AromaticContact CE1-CD2 4Å; Y613-H659 AromaticContact CE1-CG 3.94Å; V614-H659 HydrophobicContact CG2-CB 3.79Å; I655-H659 PolarHBondContact O-CD2 3.33Å; I655-H659 VanDerWaalsContact O-CD2 3.27Å; I655-H659 PolarHBondContact O-N 3.42Å; H659-F663 AromaticContact CE1-CD1 3.6Å; H659-F663 AromaticContact ND1-CD1 3.59Å; H659-L664 VanDerWaalsContact O-CB 3.24Å; H659-L664 WeakPolarHBondContact O-CB 3.47Å; H659-L664 PolarHBondContact O-N 3Å; H659-Y691 PolarHBondContact CD2-OH 3.43Å; H659-Y691 VanDerWaalsContact CD2-OH 3.28Å; H659-Y691 PolarHBondContact CE1-OH 3.31Å; H659-Y691 AromaticContact NE2-CE2 3.32Å; H659-Y691 VanDerWaalsContact NE2-CE2 3.32Å; H659-Y691 WeakPolarHBondContact NE2-CE2 3.11Å; H659-Y691 AromaticContact NE2-CZ 3.44Å; H659-Y691 PolarHBondContact NE2-OH 2.77Å; H659-Y741 AromaticContact CE1-CZ 3.99Å; H659-Y741 PolarHBondContact CE1-OH 3.24Å; H659-Y741 PolarHBondContact ND1-OH 2.81Å |
| 660 | K | 97.2 | Very high | 96.7 | Very high | 97 Ų | 97 | 47.3 Ų | 47.3 | 42% | 0.422 | 22% | 0.217 | S | C | . | . | I | π-helix | trans | -73 | -40 | 179.8 | -175.4 | 166.2 | 176.4 | 168.5 | 0 | 114.7 | V614 Y656 F658 | V614-K660 HydrophobicContact CG1-CB 3.72Å; V614-K660 HydrophobicContact CG1-CD 4.01Å; V614-K660 HydrophobicContact CG1-CG 3.93Å; Y656-K660 HydrophobicContact CE1-CD 4.34Å; Y656-K660 HydrophobicContact CE2-CB 4.22Å; Y656-K660 HydrophobicContact CE2-CD 3.8Å; Y656-K660 VanDerWaalsContact CZ-CD 3.47Å; Y656-K660 VanDerWaalsContact O-CB 3.27Å; Y656-K660 WeakPolarHBondContact O-CB 3.49Å; Y656-K660 PolarHBondContact O-N 3.36Å; Y656-K660 WeakPolarHBondContact OH-CD 3.5Å; Y656-K660 PolarHBondContact OH-NZ 2.8Å; F658-K660 PolarHBondContact O-N 3.39Å |
| 661 | R | 95.5 | Very high | 96.5 | Very high | 151 Ų | 151 | 49.1 Ų | 49.1 | 57% | 0.57 | 23% | 0.227 | S | C | * | . | I | π-helix | trans | -91 | -28.5 | -170.8 | -63.3 | 178.9 | 174.5 | 148.2 | 3.2 | 113.1 | H657 | H657-R661 PolarHBondContact CD2-NH1 3.3Å; H657-R661 VanDerWaalsContact CD2-NH1 3.33Å; H657-R661 WeakPolarHBondContact O-CB 3.4Å; H657-R661 WeakPolarHBondContact O-CG 3.2Å; H657-R661 PolarHBondContact O-N 3Å |
| 662 | T | 95.8 | Very high | 96.1 | Very high | 38 Ų | 38 | 55.6 Ų | 55.6 | 23% | 0.233 | 26% | 0.262 | C | S | . | . | I | π-helix | trans | -118.3 | -71.2 | -173.9 | -49 | 0 | 0 | 0 | 0 | 110.1 | F658 L664 R665 E666 | F658-T662 HydrophobicContact CD2-CG2 4.37Å; F658-T662 HydrophobicContact CE2-CG2 4.1Å; F658-T662 WeakPolarHBondContact O-CA 3.45Å; F658-T662 WeakPolarHBondContact O-CB 3.37Å; F658-T662 PolarHBondContact O-N 3.39Å; T662-L664 PolarHBondContact O-N 3.45Å; T662-R665 PolarHBondContact O-N 2.98Å; T662-R665 VanDerWaalsContact O-N 3.16Å; T662-E666 WeakPolarHBondContact CG2-OE1 3.45Å; T662-E666 PolarHBondContact O-N 2.68Å |
| 663 | F | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | I | π-helix | trans | -64.2 | -50.3 | -160.6 | -157.1 | -120.5 | 0 | 0 | 0 | 114.3 | F658 H659 R665 E666 L667 F681 R684 Y741 | F658-F663 HydrophobicContact CD1-CB 4.5Å; F658-F663 HydrophobicContact CE1-CB 3.88Å; F658-F663 HydrophobicContact CE1-CD2 4.25Å; F658-F663 HydrophobicContact CE1-CG 4.02Å; F658-F663 HydrophobicContact CE2-CB 4.11Å; F658-F663 HydrophobicContact CE2-CD2 4.39Å; F658-F663 HydrophobicContact CZ-CB 3.66Å; F658-F663 AromaticContact CZ-CD2 3.6Å; F658-F663 HydrophobicContact CZ-CD2 3.6Å; F658-F663 HydrophobicContact CZ-CE2 4.48Å; F658-F663 AromaticContact CZ-CG 3.76Å; F658-F663 HydrophobicContact CZ-CG 3.76Å; F658-F663 PolarHBondContact O-N 3.39Å; H659-F663 AromaticContact CE1-CD1 3.6Å; H659-F663 AromaticContact ND1-CD1 3.59Å; F663-R665 VanDerWaalsContact C-N 3.28Å; F663-R665 PolarHBondContact O-N 3.45Å; F663-E666 PolarHBondContact O-N 3.04Å; F663-L667 HydrophobicContact CD1-CD1 3.78Å; F663-L667 HydrophobicContact CD1-CG 4.3Å; F663-L667 HydrophobicContact CE1-CD1 3.67Å; F663-L667 HydrophobicContact CE1-CD2 4.38Å; F663-L667 HydrophobicContact CE1-CG 4.16Å; F663-L667 HydrophobicContact CZ-CD1 4.32Å; F663-L667 HydrophobicContact CZ-CD2 4.22Å; F663-L667 HydrophobicContact CZ-CG 4.35Å; F663-L667 WeakPolarHBondContact O-CG 3.07Å; F663-L667 PolarHBondContact O-N 3.16Å; F663-F681 HydrophobicContact CE1-CE1 4.02Å; F663-F681 HydrophobicContact CE1-CZ 4.07Å; F663-F681 HydrophobicContact CE2-CD1 4.46Å; F663-F681 AromaticContact CZ-CD1 3.71Å; F663-F681 HydrophobicContact CZ-CD1 3.71Å; F663-F681 HydrophobicContact CZ-CD2 4.26Å; F663-F681 AromaticContact CZ-CE1 3.5Å; F663-F681 HydrophobicContact CZ-CE1 3.5Å; F663-F681 HydrophobicContact CZ-CE2 4.08Å; F663-F681 HydrophobicContact CZ-CG 4.1Å; F663-F681 AromaticContact CZ-CZ 3.71Å; F663-F681 HydrophobicContact CZ-CZ 3.71Å; F663-R684 HydrophobicContact CD2-CB 4.17Å; F663-R684 HydrophobicContact CD2-CG 4.08Å; F663-R684 HydrophobicContact CE2-CB 4.13Å; F663-R684 HydrophobicContact CE2-CG 4.31Å; F663-Y741 HydrophobicContact CE1-CE1 4.02Å; F663-Y741 AromaticContact CE1-CZ 3.95Å |
| 664 | L | 97.1 | Very high | 95.5 | Very high | 19 Ų | 19 | 55.4 Ų | 55.4 | 10% | 0.099 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56.5 | -43 | 176.7 | 170.9 | 59.7 | 0 | 0 | 0 | 111.9 | L607 E610 R611 V614 H659 T662 E666 L667 E668 | L607-L664 HydrophobicContact CD2-CD1 4.36Å; E610-L664 HydrophobicContact CB-CD1 4.04Å; E610-L664 HydrophobicContact CG-CB 3.83Å; E610-L664 HydrophobicContact CG-CD1 3.7Å; E610-L664 HydrophobicContact CG-CG 4.27Å; R611-L664 HydrophobicContact CG-CD1 3.65Å; R611-L664 HydrophobicContact CG-CD2 3.94Å; R611-L664 HydrophobicContact CG-CG 4.45Å; V614-L664 HydrophobicContact CG2-CD2 4.47Å; H659-L664 VanDerWaalsContact O-CB 3.24Å; H659-L664 WeakPolarHBondContact O-CB 3.47Å; H659-L664 PolarHBondContact O-N 3Å; T662-L664 PolarHBondContact O-N 3.45Å; L664-E666 VanDerWaalsContact C-N 3.31Å; L664-E666 PolarHBondContact O-N 2.94Å; L664-L667 PolarHBondContact O-N 2.97Å; L664-E668 HydrophobicContact CD1-CG 4.36Å; L664-E668 VanDerWaalsContact O-CG 3.3Å; L664-E668 WeakPolarHBondContact O-CG 3.41Å; L664-E668 PolarHBondContact O-N 3.05Å |
| 665 | R | 94.6 | Very high | 95.3 | Very high | 160 Ų | 160 | 53.4 Ų | 53.4 | 60% | 0.604 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -70.7 | -28 | -177.4 | -66.2 | -174.5 | 63.8 | -130.1 | -4.4 | 113 | T662 F663 | T662-R665 PolarHBondContact O-N 2.98Å; T662-R665 VanDerWaalsContact O-N 3.16Å; F663-R665 VanDerWaalsContact C-N 3.28Å; F663-R665 PolarHBondContact O-N 3.45Å |
| 666 | E | 95.9 | Very high | 95.1 | Very high | 40 Ų | 40 | 55.3 Ų | 55.3 | 19% | 0.187 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -81.4 | -41.5 | 175.5 | -72.5 | 171.6 | -178.7 | 0 | 0 | 111 | T662 F663 L664 E668 L669 Y670 R684 | T662-E666 WeakPolarHBondContact CG2-OE1 3.45Å; T662-E666 PolarHBondContact O-N 2.68Å; F663-E666 PolarHBondContact O-N 3.04Å; L664-E666 VanDerWaalsContact C-N 3.31Å; L664-E666 PolarHBondContact O-N 2.94Å; E666-E668 PolarHBondContact O-N 3.34Å; E666-L669 VanDerWaalsContact O-CB 3.27Å; E666-L669 WeakPolarHBondContact O-CB 3.35Å; E666-L669 PolarHBondContact O-N 3.09Å; E666-Y670 VanDerWaalsContact O-CD2 3.25Å; E666-Y670 WeakPolarHBondContact O-CD2 3.24Å; E666-R684 IonicContact OE1-CZ 2.85Å; E666-R684 IonicContact OE1-NE 2.74Å; E666-R684 PolarHBondContact OE1-NE 3.46Å; E666-R684 IonicContact OE1-NH2 3.19Å; E666-R684 PolarHBondContact OE1-NH2 3Å; E666-R684 IonicContact OE2-CZ 3.5Å; E666-R684 IonicContact OE2-NE 2.8Å; E666-R684 PolarHBondContact OE2-NE 3.29Å; E666-R684 IonicContact OE2-NH2 2.94Å |
| 667 | L | 96.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -55.1 | -39.7 | 170.6 | -70.8 | 176.4 | 0 | 0 | 0 | 111.8 | M603 L606 L607 E610 F663 L664 L669 Y670 V677 C680 F681 | M603-L667 HydrophobicContact CE-CB 4.41Å; M603-L667 WeakPolarHBondContact CE-O 3.17Å; L606-L667 HydrophobicContact CD1-CD1 4.27Å; L606-L667 HydrophobicContact CD2-CD1 4.47Å; L606-L667 HydrophobicContact CD2-CD2 3.92Å; L606-L667 HydrophobicContact CG-CD1 4.21Å; L607-L667 HydrophobicContact CD2-CB 3.68Å; E610-L667 HydrophobicContact CG-CD1 4.16Å; F663-L667 HydrophobicContact CD1-CD1 3.78Å; F663-L667 HydrophobicContact CD1-CG 4.3Å; F663-L667 HydrophobicContact CE1-CD1 3.67Å; F663-L667 HydrophobicContact CE1-CD2 4.38Å; F663-L667 HydrophobicContact CE1-CG 4.16Å; F663-L667 HydrophobicContact CZ-CD1 4.32Å; F663-L667 HydrophobicContact CZ-CD2 4.22Å; F663-L667 HydrophobicContact CZ-CG 4.35Å; F663-L667 WeakPolarHBondContact O-CG 3.07Å; F663-L667 PolarHBondContact O-N 3.16Å; L664-L667 PolarHBondContact O-N 2.97Å; L667-L669 PolarHBondContact O-N 3.05Å; L667-Y670 PolarHBondContact O-N 2.85Å; L667-V677 HydrophobicContact CD2-CG2 3.49Å; L667-V677 VanDerWaalsContact CD2-CG2 3.49Å; L667-C680 HydrophobicContact CD2-CB 4.37Å; L667-F681 HydrophobicContact CD2-CE2 4.07Å |
| 668 | E | 94.8 | Very high | 94.9 | Very high | 74 Ų | 74 | 51 Ų | 51 | 35% | 0.346 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -59.1 | -25.1 | 176.8 | -76.6 | 174.1 | 154.5 | 0 | 0 | 113.4 | L607 R611 L664 E666 Y670 T671 | L607-E668 HydrophobicContact CD2-CG 3.8Å; R611-E668 IonicContact CZ-OE1 2.68Å; R611-E668 IonicContact NE-OE1 3.41Å; R611-E668 PolarHBondContact NE-OE1 2.81Å; R611-E668 VanDerWaalsContact NE-OE1 3.11Å; R611-E668 IonicContact NH2-OE1 3.87Å; R611-E668 PolarHBondContact NH2-OE1 2.81Å; L664-E668 HydrophobicContact CD1-CG 4.36Å; L664-E668 VanDerWaalsContact O-CG 3.3Å; L664-E668 WeakPolarHBondContact O-CG 3.41Å; L664-E668 PolarHBondContact O-N 3.05Å; E666-E668 PolarHBondContact O-N 3.34Å; E668-Y670 VanDerWaalsContact C-N 3.31Å; E668-Y670 PolarHBondContact O-N 3.49Å; E668-T671 PolarHBondContact O-OG1 2.84Å |
| 669 | L | 94.9 | Very high | 94.8 | Very high | 127 Ų | 127 | 54.5 Ų | 54.5 | 67% | 0.665 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -71.3 | -23.3 | 175.8 | -54.5 | 176.1 | 0 | 0 | 0 | 113.3 | E666 L667 T671 | E666-L669 VanDerWaalsContact O-CB 3.27Å; E666-L669 WeakPolarHBondContact O-CB 3.35Å; E666-L669 PolarHBondContact O-N 3.09Å; L667-L669 PolarHBondContact O-N 3.05Å; L669-T671 VanDerWaalsContact C-N 3.33Å |
| 670 | Y | 94.3 | Very high | 94.7 | Very high | 33 Ų | 33 | 54.6 Ų | 54.6 | 13% | 0.129 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -92.7 | 11.3 | -178.2 | -66.9 | -89.6 | 0 | 0 | 0 | 113.1 | E666 L667 E668 D672 C673 P674 L676 V677 R679 C680 | E666-Y670 VanDerWaalsContact O-CD2 3.25Å; E666-Y670 WeakPolarHBondContact O-CD2 3.24Å; L667-Y670 PolarHBondContact O-N 2.85Å; E668-Y670 VanDerWaalsContact C-N 3.31Å; E668-Y670 PolarHBondContact O-N 3.49Å; Y670-D672 VanDerWaalsContact C-N 3.3Å; Y670-D672 PolarHBondContact O-N 3.43Å; Y670-C673 CarbonylContact O-C 3.58Å; Y670-C673 VanDerWaalsContact O-C 3.31Å; Y670-C673 PolarHBondContact O-N 3.32Å; Y670-P674 VanDerWaalsContact O-CA 3.32Å; Y670-P674 WeakPolarHBondContact O-CA 3.37Å; Y670-P674 VanDerWaalsContact O-N 3.13Å; Y670-L676 HydrophobicContact CD1-CB 3.79Å; Y670-L676 HydrophobicContact CE1-CB 3.79Å; Y670-L676 VanDerWaalsContact CE1-O 3.28Å; Y670-L676 WeakPolarHBondContact CE1-O 3.36Å; Y670-V677 HydrophobicContact CD1-CB 4.46Å; Y670-V677 HydrophobicContact CD2-CG2 4.47Å; Y670-V677 HydrophobicContact CG-CB 4.24Å; Y670-V677 HydrophobicContact CG-CG2 4.22Å; Y670-R679 HydrophobicContact CE1-CB 4.45Å; Y670-C680 HydrophobicContact CD2-CB 3.94Å; Y670-C680 HydrophobicContact CE2-CB 3.55Å |
| 671 | T | 91.9 | Very high | 94.7 | Very high | 47 Ų | 47 | 50 Ų | 50 | 29% | 0.288 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -60.2 | -38 | -178.5 | -55.8 | 0 | 0 | 0 | 0 | 112.7 | E668 L669 | E668-T671 PolarHBondContact O-OG1 2.84Å; L669-T671 VanDerWaalsContact C-N 3.33Å |
| 672 | D | 88.5 | Confident | 94.7 | Very high | 148 Ų | 148 | 44.8 Ų | 44.8 | 79% | 0.791 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -87.3 | -22.1 | -178.9 | -64.6 | -49 | 0 | 0 | 0 | 113.5 | Y670 P674 | Y670-D672 VanDerWaalsContact C-N 3.3Å; Y670-D672 PolarHBondContact O-N 3.43Å; D672-P674 VanDerWaalsContact C-CD 3.44Å |
| 673 | C | 91.6 | Very high | 94.7 | Very high | 43 Ų | 43 | 48.7 Ų | 48.7 | 29% | 0.291 | 23% | 0.234 | S | C | . | . | trans | -129.5 | 58.8 | -179 | 55.6 | 0 | 0 | 0 | 0 | 112.1 | Y670 E675 L676 | Y670-C673 CarbonylContact O-C 3.58Å; Y670-C673 VanDerWaalsContact O-C 3.31Å; Y670-C673 PolarHBondContact O-N 3.32Å; C673-E675 PolarHBondContact O-N 2.75Å; C673-E675 VanDerWaalsContact O-N 3.1Å; C673-L676 HydrophobicContact CB-CD1 4.18Å; C673-L676 HydrophobicContact CB-CG 4.31Å; C673-L676 PolarHBondContact O-N 2.82Å | ||
| 674 | P | 93 | Very high | 94.6 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.013 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -59.9 | -24.1 | -171.1 | 25.9 | -37.9 | 0 | 0 | 0 | 115 | R599 M603 Y670 D672 L676 V677 M748 | R599-P674 HydrophobicContact CB-CB 4.43Å; R599-P674 HydrophobicContact CB-CG 3.85Å; M603-P674 HydrophobicContact CB-CB 3.76Å; M603-P674 HydrophobicContact CG-CB 3.93Å; M603-P674 HydrophobicContact SD-CB 4.18Å; Y670-P674 VanDerWaalsContact O-CA 3.32Å; Y670-P674 WeakPolarHBondContact O-CA 3.37Å; Y670-P674 VanDerWaalsContact O-N 3.13Å; D672-P674 VanDerWaalsContact C-CD 3.44Å; P674-L676 PolarHBondContact O-N 3.3Å; P674-V677 WeakPolarHBondContact O-CB 3.27Å; P674-V677 VanDerWaalsContact O-CG1 3.23Å; P674-V677 WeakPolarHBondContact O-CG1 3.37Å; P674-V677 PolarHBondContact O-N 3.39Å; P674-M748 HydrophobicContact CB-CE 3.72Å; P674-M748 HydrophobicContact CB-SD 4.02Å |
| 675 | E | 91.8 | Very high | 94.3 | Very high | 35 Ų | 35 | 51.9 Ų | 51.9 | 16% | 0.164 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -61.3 | -25.5 | 172.1 | 57.7 | -92.5 | -114 | 0 | 0 | 113.3 | R599 C673 C755 G757 L761 | R599-E675 IonicContact CZ-OE1 2.71Å; R599-E675 IonicContact CZ-OE2 2.76Å; R599-E675 IonicContact NH1-OE1 2.61Å; R599-E675 PolarHBondContact NH1-OE1 2.89Å; R599-E675 IonicContact NH1-OE2 2.72Å; R599-E675 PolarHBondContact NH1-OE2 3.29Å; R599-E675 IonicContact NH2-OE1 2.75Å; C673-E675 PolarHBondContact O-N 2.75Å; C673-E675 VanDerWaalsContact O-N 3.1Å; E675-C755 HydrophobicContact CB-CB 3.93Å; E675-C755 HydrophobicContact CG-CB 4.04Å; E675-G757 WeakPolarHBondContact O-CA 3.27Å; E675-L761 VanDerWaalsContact O-CD1 3.27Å; E675-L761 WeakPolarHBondContact O-CD1 3.48Å; E675-L761 WeakPolarHBondContact O-CG 3.39Å |
| 676 | L | 95.4 | Very high | 94 | Very high | 39 Ų | 39 | 50.1 Ų | 50.1 | 20% | 0.204 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -88.3 | -4.7 | -179.6 | -56.6 | -173.8 | 0 | 0 | 0 | 113.2 | Y670 C673 P674 G678 R679 | Y670-L676 HydrophobicContact CD1-CB 3.79Å; Y670-L676 HydrophobicContact CE1-CB 3.79Å; Y670-L676 VanDerWaalsContact CE1-O 3.28Å; Y670-L676 WeakPolarHBondContact CE1-O 3.36Å; C673-L676 HydrophobicContact CB-CD1 4.18Å; C673-L676 HydrophobicContact CB-CG 4.31Å; C673-L676 PolarHBondContact O-N 2.82Å; P674-L676 PolarHBondContact O-N 3.3Å; L676-G678 PolarHBondContact O-N 3.36Å; L676-R679 WeakPolarHBondContact O-CB 3.49Å; L676-R679 PolarHBondContact O-N 3.2Å |
| 677 | V | 96.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -19.7 | -173.7 | 78.4 | 0 | 0 | 0 | 0 | 113.5 | M603 L606 L667 Y670 P674 R679 C680 F681 M748 L761 | M603-V677 HydrophobicContact CE-CG2 3.9Å; M603-V677 HydrophobicContact SD-CB 4.26Å; M603-V677 HydrophobicContact SD-CG2 4.02Å; L606-V677 HydrophobicContact CD2-CG2 4.19Å; L667-V677 HydrophobicContact CD2-CG2 3.49Å; L667-V677 VanDerWaalsContact CD2-CG2 3.49Å; Y670-V677 HydrophobicContact CD1-CB 4.46Å; Y670-V677 HydrophobicContact CD2-CG2 4.47Å; Y670-V677 HydrophobicContact CG-CB 4.24Å; Y670-V677 HydrophobicContact CG-CG2 4.22Å; P674-V677 WeakPolarHBondContact O-CB 3.27Å; P674-V677 VanDerWaalsContact O-CG1 3.23Å; P674-V677 WeakPolarHBondContact O-CG1 3.37Å; P674-V677 PolarHBondContact O-N 3.39Å; V677-R679 PolarHBondContact O-N 3.33Å; V677-C680 HydrophobicContact CG2-CB 4.42Å; V677-C680 WeakPolarHBondContact O-CB 3.37Å; V677-C680 PolarHBondContact O-N 3.05Å; V677-C680 VanDerWaalsContact O-N 3.14Å; V677-F681 HydrophobicContact CG2-CE2 4.42Å; V677-F681 WeakPolarHBondContact O-CD2 3.22Å; V677-F681 PolarHBondContact O-N 3.03Å; V677-M748 HydrophobicContact CG1-CE 4.27Å; V677-M748 HydrophobicContact CG1-CG 4.34Å; V677-L761 HydrophobicContact CG1-CD2 3.95Å |
| 678 | G | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -52.1 | -35.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L676 F681 L682 | L676-G678 PolarHBondContact O-N 3.36Å; G678-F681 WeakPolarHBondContact O-CB 3.34Å; G678-F681 PolarHBondContact O-N 2.91Å; G678-F681 VanDerWaalsContact O-N 3.16Å; G678-L682 WeakPolarHBondContact O-CG 3.41Å; G678-L682 PolarHBondContact O-N 3.09Å |
| 679 | R | 95.3 | Very high | 93.4 | Very high | 91 Ų | 91 | 51.1 Ų | 51.1 | 34% | 0.343 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 177.9 | -63.1 | -178.5 | -175.3 | 157.8 | 11.8 | 112.4 | Y670 L676 V677 F681 L682 E683 D756 D760 | Y670-R679 HydrophobicContact CE1-CB 4.45Å; L676-R679 WeakPolarHBondContact O-CB 3.49Å; L676-R679 PolarHBondContact O-N 3.2Å; V677-R679 PolarHBondContact O-N 3.33Å; R679-F681 PolarHBondContact O-N 2.91Å; R679-L682 PolarHBondContact O-N 3.29Å; R679-L682 VanDerWaalsContact O-N 3.12Å; R679-E683 WeakPolarHBondContact O-CB 3.21Å; R679-E683 WeakPolarHBondContact O-CG 3.4Å; R679-E683 PolarHBondContact O-N 2.87Å; R679-D756 PolarHBondContact NH2-O 3.19Å; R679-D760 HydrophobicContact CG-CB 4.04Å; R679-D760 IonicContact CZ-OD2 3.25Å; R679-D760 IonicContact NE-OD1 3.15Å; R679-D760 IonicContact NE-OD2 3.3Å; R679-D760 PolarHBondContact NE-OD2 2.81Å; R679-D760 IonicContact NH2-OD2 2.79Å; R679-D760 PolarHBondContact NH2-OD2 3.04Å |
| 680 | C | 96.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.007 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.2 | -39 | 173.3 | -172.3 | 0 | 0 | 0 | 0 | 112.5 | L667 Y670 V677 R684 | L667-C680 HydrophobicContact CD2-CB 4.37Å; Y670-C680 HydrophobicContact CD2-CB 3.94Å; Y670-C680 HydrophobicContact CE2-CB 3.55Å; V677-C680 HydrophobicContact CG2-CB 4.42Å; V677-C680 WeakPolarHBondContact O-CB 3.37Å; V677-C680 PolarHBondContact O-N 3.05Å; V677-C680 VanDerWaalsContact O-N 3.14Å; C680-R684 WeakPolarHBondContact O-CB 3.22Å; C680-R684 VanDerWaalsContact O-CG 3.27Å; C680-R684 WeakPolarHBondContact O-CG 3.42Å |
| 681 | F | 96.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.2 | -45.3 | 175.9 | -81.7 | -88.7 | 0 | 0 | 0 | 111.5 | L606 F663 L667 V677 G678 R679 R684 M685 L688 Y741 L745 A764 I768 | L606-F681 HydrophobicContact CD1-CZ 4.41Å; L606-F681 HydrophobicContact CD2-CE2 4.29Å; F663-F681 HydrophobicContact CE1-CE1 4.02Å; F663-F681 HydrophobicContact CE1-CZ 4.07Å; F663-F681 HydrophobicContact CE2-CD1 4.46Å; F663-F681 AromaticContact CZ-CD1 3.71Å; F663-F681 HydrophobicContact CZ-CD1 3.71Å; F663-F681 HydrophobicContact CZ-CD2 4.26Å; F663-F681 AromaticContact CZ-CE1 3.5Å; F663-F681 HydrophobicContact CZ-CE1 3.5Å; F663-F681 HydrophobicContact CZ-CE2 4.08Å; F663-F681 HydrophobicContact CZ-CG 4.1Å; F663-F681 AromaticContact CZ-CZ 3.71Å; F663-F681 HydrophobicContact CZ-CZ 3.71Å; L667-F681 HydrophobicContact CD2-CE2 4.07Å; V677-F681 HydrophobicContact CG2-CE2 4.42Å; V677-F681 WeakPolarHBondContact O-CD2 3.22Å; V677-F681 PolarHBondContact O-N 3.03Å; G678-F681 WeakPolarHBondContact O-CB 3.34Å; G678-F681 PolarHBondContact O-N 2.91Å; G678-F681 VanDerWaalsContact O-N 3.16Å; R679-F681 PolarHBondContact O-N 2.91Å; F681-R684 CarbonylContact O-C 3.4Å; F681-R684 PolarHBondContact O-N 3.22Å; F681-R684 VanDerWaalsContact O-N 3.17Å; F681-M685 HydrophobicContact CB-CE 3.95Å; F681-M685 WeakPolarHBondContact O-CE 3.01Å; F681-M685 WeakPolarHBondContact O-CG 3.23Å; F681-M685 PolarHBondContact O-N 3.45Å; F681-M685 VanDerWaalsContact O-N 3.15Å; F681-L688 HydrophobicContact CD1-CD1 4.37Å; F681-Y741 AromaticContact CE1-CD1 3.7Å; F681-Y741 HydrophobicContact CE1-CD1 3.7Å; F681-Y741 HydrophobicContact CE1-CD2 4.19Å; F681-Y741 HydrophobicContact CE1-CE1 4.32Å; F681-Y741 AromaticContact CE1-CG 3.64Å; F681-Y741 HydrophobicContact CE1-CG 3.64Å; F681-Y741 AromaticContact CZ-CD1 3.62Å; F681-Y741 HydrophobicContact CZ-CD1 3.62Å; F681-Y741 HydrophobicContact CZ-CE1 4.21Å; F681-Y741 HydrophobicContact CZ-CG 4.03Å; F681-L745 HydrophobicContact CD1-CD1 3.97Å; F681-L745 HydrophobicContact CD2-CD1 4.23Å; F681-L745 HydrophobicContact CD2-CD2 3.72Å; F681-L745 HydrophobicContact CD2-CG 4.3Å; F681-L745 HydrophobicContact CE1-CD1 4.1Å; F681-L745 HydrophobicContact CE2-CD1 4.37Å; F681-L745 HydrophobicContact CE2-CD2 3.86Å; F681-L745 HydrophobicContact CE2-CG 4.17Å; F681-L745 HydrophobicContact CG-CD1 4.02Å; F681-L745 HydrophobicContact CG-CD2 4.26Å; F681-L745 HydrophobicContact CZ-CD1 4.3Å; F681-L745 HydrophobicContact CZ-CG 4.32Å; F681-A764 HydrophobicContact CB-CB 3.84Å; F681-I768 HydrophobicContact CD1-CD1 3.98Å; F681-I768 HydrophobicContact CD1-CG1 4.06Å; F681-I768 HydrophobicContact CE1-CD1 4.45Å; F681-I768 HydrophobicContact CE1-CG1 4.49Å |
| 682 | L | 95.6 | Very high | 93 | Very high | 43 Ų | 43 | 45.7 Ų | 45.7 | 23% | 0.225 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62 | -46.8 | 179.9 | -69.2 | 169.2 | 0 | 0 | 0 | 112.4 | G678 R679 R684 M685 D760 E763 A764 | G678-L682 WeakPolarHBondContact O-CG 3.41Å; G678-L682 PolarHBondContact O-N 3.09Å; R679-L682 PolarHBondContact O-N 3.29Å; R679-L682 VanDerWaalsContact O-N 3.12Å; L682-R684 PolarHBondContact O-N 2.9Å; L682-R684 VanDerWaalsContact O-N 3.1Å; L682-M685 PolarHBondContact O-N 2.83Å; L682-D760 HydrophobicContact CD1-CB 4.28Å; L682-E763 HydrophobicContact CD1-CB 4.36Å; L682-E763 HydrophobicContact CD2-CB 4.14Å; L682-E763 HydrophobicContact CD2-CG 3.84Å; L682-A764 HydrophobicContact CD2-CB 4.44Å; L682-A764 HydrophobicContact CG-CB 4.2Å |
| 683 | E | 95.4 | Very high | 93 | Very high | 119 Ų | 119 | 44 Ų | 44 | 56% | 0.556 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -58.3 | -23.3 | 175.5 | -73 | 176.1 | -148.5 | 0 | 0 | 113.1 | R679 | R679-E683 WeakPolarHBondContact O-CB 3.21Å; R679-E683 WeakPolarHBondContact O-CG 3.4Å; R679-E683 PolarHBondContact O-N 2.87Å |
| 684 | R | 94.6 | Very high | 93 | Very high | 60 Ų | 60 | 42 Ų | 42 | 23% | 0.226 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | 12.2 | -175.1 | -58.4 | -59.3 | 175.8 | -152.7 | -11 | 114.9 | F658 F663 E666 C680 F681 L682 T686 D687 L688 | F658-R684 HydrophobicContact CE2-CB 4.31Å; F658-R684 HydrophobicContact CE2-CG 4.35Å; F658-R684 HydrophobicContact CZ-CB 4.01Å; F658-R684 HydrophobicContact CZ-CG 4.4Å; F663-R684 HydrophobicContact CD2-CB 4.17Å; F663-R684 HydrophobicContact CD2-CG 4.08Å; F663-R684 HydrophobicContact CE2-CB 4.13Å; F663-R684 HydrophobicContact CE2-CG 4.31Å; E666-R684 IonicContact OE1-CZ 2.85Å; E666-R684 IonicContact OE1-NE 2.74Å; E666-R684 PolarHBondContact OE1-NE 3.46Å; E666-R684 IonicContact OE1-NH2 3.19Å; E666-R684 PolarHBondContact OE1-NH2 3Å; E666-R684 IonicContact OE2-CZ 3.5Å; E666-R684 IonicContact OE2-NE 2.8Å; E666-R684 PolarHBondContact OE2-NE 3.29Å; E666-R684 IonicContact OE2-NH2 2.94Å; C680-R684 WeakPolarHBondContact O-CB 3.22Å; C680-R684 VanDerWaalsContact O-CG 3.27Å; C680-R684 WeakPolarHBondContact O-CG 3.42Å; F681-R684 CarbonylContact O-C 3.4Å; F681-R684 PolarHBondContact O-N 3.22Å; F681-R684 VanDerWaalsContact O-N 3.17Å; L682-R684 PolarHBondContact O-N 2.9Å; L682-R684 VanDerWaalsContact O-N 3.1Å; R684-T686 VanDerWaalsContact C-N 3.25Å; R684-T686 PolarHBondContact O-N 3.39Å; R684-D687 WeakPolarHBondContact CD-OD2 3.47Å; R684-D687 IonicContact CZ-OD2 3.79Å; R684-D687 IonicContact NE-OD2 2.71Å; R684-D687 IonicContact NH1-OD2 2.65Å; R684-D687 PolarHBondContact NH1-OD2 2.9Å; R684-D687 VanDerWaalsContact NH1-OD2 3.13Å; R684-D687 PolarHBondContact O-N 3.46Å; R684-D687 VanDerWaalsContact O-N 3.17Å; R684-L688 WeakPolarHBondContact O-CB 3.32Å; R684-L688 WeakPolarHBondContact O-CG 3.11Å; R684-L688 PolarHBondContact O-N 3.08Å |
| 685 | M | 90.9 | Very high | 92.8 | Very high | 27 Ų | 27 | 42.3 Ų | 42.3 | 13% | 0.133 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -32.1 | 178.4 | -74.5 | -64.9 | 158.1 | 0 | 0 | 113.8 | F681 L682 Q689 S767 I768 I771 | F681-M685 HydrophobicContact CB-CE 3.95Å; F681-M685 WeakPolarHBondContact O-CE 3.01Å; F681-M685 WeakPolarHBondContact O-CG 3.23Å; F681-M685 PolarHBondContact O-N 3.45Å; F681-M685 VanDerWaalsContact O-N 3.15Å; L682-M685 PolarHBondContact O-N 2.83Å; M685-Q689 PolarHBondContact O-NE2 3.3Å; M685-S767 VanDerWaalsContact CE-CB 3.46Å; M685-S767 WeakPolarHBondContact SD-CB 3.46Å; M685-I768 HydrophobicContact CE-CD1 3.8Å; M685-I768 HydrophobicContact CE-CG1 4Å; M685-I768 HydrophobicContact SD-CD1 4.15Å; M685-I771 HydrophobicContact SD-CD1 3.99Å |
| 686 | T | 89.1 | Confident | 92.3 | Very high | 122 Ų | 122 | 42.5 Ų | 42.5 | 75% | 0.748 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -44.2 | 175.2 | -52.7 | 0 | 0 | 0 | 0 | 111.4 | R684 L688 Q689 | R684-T686 VanDerWaalsContact C-N 3.25Å; R684-T686 PolarHBondContact O-N 3.39Å; T686-L688 VanDerWaalsContact C-N 3.28Å; T686-L688 PolarHBondContact O-N 2.88Å; T686-Q689 WeakPolarHBondContact O-CB 3.44Å; T686-Q689 WeakPolarHBondContact O-CG 3.49Å; T686-Q689 PolarHBondContact O-N 2.85Å |
| 687 | D | 92.9 | Very high | 91.9 | Very high | 61 Ų | 61 | 41.3 Ų | 41.3 | 33% | 0.326 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -62 | -38.1 | 177.7 | -64.4 | -58.9 | 0 | 0 | 0 | 111.1 | F658 R684 Q689 I690 | F658-D687 HydrophobicContact CD2-CB 3.71Å; F658-D687 HydrophobicContact CE2-CB 3.38Å; F658-D687 HydrophobicContact CG-CB 4.41Å; F658-D687 HydrophobicContact CZ-CB 3.83Å; R684-D687 WeakPolarHBondContact CD-OD2 3.47Å; R684-D687 IonicContact CZ-OD2 3.79Å; R684-D687 IonicContact NE-OD2 2.71Å; R684-D687 IonicContact NH1-OD2 2.65Å; R684-D687 PolarHBondContact NH1-OD2 2.9Å; R684-D687 VanDerWaalsContact NH1-OD2 3.13Å; R684-D687 PolarHBondContact O-N 3.46Å; R684-D687 VanDerWaalsContact O-N 3.17Å; D687-Q689 PolarHBondContact O-N 3.16Å; D687-I690 WeakPolarHBondContact O-CD1 3.32Å; D687-I690 WeakPolarHBondContact O-CG1 3.19Å; D687-I690 WeakPolarHBondContact O-CG2 3.36Å; D687-I690 PolarHBondContact O-N 2.69Å |
| 688 | L | 92.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -67.1 | -10.8 | 178.4 | -73.8 | 165.2 | 0 | 0 | 0 | 114.8 | F658 F681 R684 T686 I690 Y691 I768 I771 | F658-L688 HydrophobicContact CE1-CD2 3.73Å; F658-L688 HydrophobicContact CE1-CG 4.13Å; F658-L688 HydrophobicContact CZ-CD2 4.3Å; F658-L688 HydrophobicContact CZ-CG 4.26Å; F681-L688 HydrophobicContact CD1-CD1 4.37Å; R684-L688 WeakPolarHBondContact O-CB 3.32Å; R684-L688 WeakPolarHBondContact O-CG 3.11Å; R684-L688 PolarHBondContact O-N 3.08Å; T686-L688 VanDerWaalsContact C-N 3.28Å; T686-L688 PolarHBondContact O-N 2.88Å; L688-I690 PolarHBondContact O-N 2.84Å; L688-Y691 HydrophobicContact CD2-CD2 4.28Å; L688-Y691 HydrophobicContact CD2-CE2 3.97Å; L688-Y691 WeakPolarHBondContact O-CD2 3.14Å; L688-Y691 PolarHBondContact O-N 3.39Å; L688-I768 HydrophobicContact CD1-CD1 3.83Å; L688-I771 HydrophobicContact CB-CD1 3.78Å |
| 689 | Q | 88.2 | Confident | 90.8 | Very high | 74 Ų | 74 | 44.4 Ų | 44.4 | 35% | 0.346 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -66.2 | -15.8 | 174.6 | -55.8 | -53.9 | -45.9 | 0 | 0 | 112.8 | M685 T686 D687 Y691 E692 | M685-Q689 PolarHBondContact O-NE2 3.3Å; T686-Q689 WeakPolarHBondContact O-CB 3.44Å; T686-Q689 WeakPolarHBondContact O-CG 3.49Å; T686-Q689 PolarHBondContact O-N 2.85Å; D687-Q689 PolarHBondContact O-N 3.16Å; Q689-Y691 PolarHBondContact O-N 2.95Å; Q689-E692 VanDerWaalsContact O-CB 3.27Å; Q689-E692 WeakPolarHBondContact O-CB 3.3Å; Q689-E692 PolarHBondContact O-N 2.66Å |
| 690 | I | 93.3 | Very high | 90.3 | Very high | 28 Ų | 28 | 46.9 Ų | 46.9 | 14% | 0.144 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.6 | -22.4 | 174 | 63.2 | -173.8 | 0 | 0 | 0 | 113.7 | N651 E654 I655 F658 D687 L688 E692 K693 Y694 | N651-I690 PolarHBondContact ND2-O 3.36Å; E654-I690 HydrophobicContact CG-CG2 4.02Å; I655-I690 HydrophobicContact CB-CD1 4.38Å; I655-I690 HydrophobicContact CG1-CB 4.39Å; I655-I690 HydrophobicContact CG1-CD1 3.9Å; I655-I690 HydrophobicContact CG1-CG1 3.89Å; F658-I690 HydrophobicContact CB-CD1 3.77Å; F658-I690 HydrophobicContact CD1-CD1 3.8Å; F658-I690 HydrophobicContact CG-CD1 4.01Å; D687-I690 WeakPolarHBondContact O-CD1 3.32Å; D687-I690 WeakPolarHBondContact O-CG1 3.19Å; D687-I690 WeakPolarHBondContact O-CG2 3.36Å; D687-I690 PolarHBondContact O-N 2.69Å; L688-I690 PolarHBondContact O-N 2.84Å; I690-E692 VanDerWaalsContact C-N 3.31Å; I690-E692 PolarHBondContact O-N 3.12Å; I690-K693 PolarHBondContact O-N 2.91Å; I690-Y694 PolarHBondContact O-N 2.97Å |
| 691 | Y | 92.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.3 | -28 | 173.1 | -77.2 | -87.5 | 0 | 0 | 0 | 113.3 | Y613 I655 H659 L688 Q689 Y694 C695 P734 I738 | Y613-Y691 WeakPolarHBondContact CE1-OH 3.41Å; Y613-Y691 PolarHBondContact OH-OH 2.88Å; I655-Y691 HydrophobicContact CD1-CD1 4.08Å; I655-Y691 HydrophobicContact CD1-CE1 4.13Å; I655-Y691 HydrophobicContact CD1-CG 4.45Å; I655-Y691 HydrophobicContact CG2-CE1 4.23Å; I655-Y691 HydrophobicContact CG2-CE2 4.45Å; H659-Y691 PolarHBondContact CD2-OH 3.43Å; H659-Y691 VanDerWaalsContact CD2-OH 3.28Å; H659-Y691 PolarHBondContact CE1-OH 3.31Å; H659-Y691 AromaticContact NE2-CE2 3.32Å; H659-Y691 VanDerWaalsContact NE2-CE2 3.32Å; H659-Y691 WeakPolarHBondContact NE2-CE2 3.11Å; H659-Y691 AromaticContact NE2-CZ 3.44Å; H659-Y691 PolarHBondContact NE2-OH 2.77Å; L688-Y691 HydrophobicContact CD2-CD2 4.28Å; L688-Y691 HydrophobicContact CD2-CE2 3.97Å; L688-Y691 WeakPolarHBondContact O-CD2 3.14Å; L688-Y691 PolarHBondContact O-N 3.39Å; Q689-Y691 PolarHBondContact O-N 2.95Å; Y691-Y694 PolarHBondContact O-N 2.97Å; Y691-C695 WeakPolarHBondContact O-CB 3.47Å; Y691-C695 PolarHBondContact O-N 2.79Å; Y691-C695 PolarHBondContact O-SG 3.25Å; Y691-P734 HydrophobicContact CD1-CB 4.19Å; Y691-P734 HydrophobicContact CE1-CB 3.82Å; Y691-P734 VanDerWaalsContact CE1-O 3.23Å; Y691-P734 WeakPolarHBondContact CE1-O 3.39Å; Y691-I738 HydrophobicContact CD1-CB 3.67Å; Y691-I738 HydrophobicContact CD1-CG1 4.26Å; Y691-I738 HydrophobicContact CD1-CG2 3.91Å; Y691-I738 HydrophobicContact CD2-CB 4.49Å; Y691-I738 HydrophobicContact CD2-CD1 4Å; Y691-I738 HydrophobicContact CD2-CG1 4.39Å; Y691-I738 HydrophobicContact CE1-CB 3.96Å; Y691-I738 HydrophobicContact CE1-CG2 4.45Å; Y691-I738 HydrophobicContact CE2-CD1 4.4Å; Y691-I738 HydrophobicContact CG-CB 3.95Å; Y691-I738 HydrophobicContact CG-CD1 4.14Å; Y691-I738 HydrophobicContact CG-CG1 4.01Å; Y691-I738 HydrophobicContact CG-CG2 4.42Å |
| 692 | E | 86.8 | Confident | 89.4 | Confident | 65 Ų | 65 | 49.1 Ų | 49.1 | 30% | 0.304 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.8 | -49.1 | 174.8 | 179.2 | 177.1 | -158.6 | 0 | 0 | 110.8 | Q689 I690 Y694 C695 H696 V775 | Q689-E692 VanDerWaalsContact O-CB 3.27Å; Q689-E692 WeakPolarHBondContact O-CB 3.3Å; Q689-E692 PolarHBondContact O-N 2.66Å; I690-E692 VanDerWaalsContact C-N 3.31Å; I690-E692 PolarHBondContact O-N 3.12Å; E692-Y694 VanDerWaalsContact C-N 3.25Å; E692-Y694 PolarHBondContact O-N 3.14Å; E692-C695 PolarHBondContact O-N 2.76Å; E692-H696 WeakPolarHBondContact CG-CE1 3.46Å; E692-H696 WeakPolarHBondContact CG-ND1 3.38Å; E692-H696 WeakPolarHBondContact O-CB 3.41Å; E692-H696 PolarHBondContact O-N 3.25Å; E692-H696 PolarHBondContact O-ND1 2.99Å; E692-H696 IonicContact OE1-CE1 3.73Å; E692-H696 PolarHBondContact OE1-CE1 3.31Å; E692-V775 HydrophobicContact CB-CG2 3.98Å; E692-V775 HydrophobicContact CG-CG2 4.43Å |
| 693 | K | 88.5 | Confident | 88.7 | Confident | 113 Ų | 113 | 49.1 Ų | 49.1 | 49% | 0.491 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57.6 | -36.6 | 175.1 | -179.4 | 177.6 | 169.3 | -163.3 | 0 | 112.2 | N651 E654 I690 N697 | N651-K693 HydrophobicContact CB-CD 4.11Å; N651-K693 HydrophobicContact CB-CG 4.28Å; E654-K693 IonicContact OE1-NZ 2.67Å; E654-K693 PolarHBondContact OE1-NZ 2.85Å; E654-K693 WeakPolarHBondContact OE2-CD 3.41Å; E654-K693 WeakPolarHBondContact OE2-CE 3.35Å; E654-K693 IonicContact OE2-NZ 2.77Å; E654-K693 PolarHBondContact OE2-NZ 2.92Å; I690-K693 PolarHBondContact O-N 2.91Å; K693-N697 PolarHBondContact O-N 3.43Å |
| 694 | Y | 92.3 | Very high | 88.4 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.6 | -50.5 | 176.8 | -169.5 | -93.2 | 0 | 0 | 0 | 112.5 | F649 N651 M652 I655 I690 Y691 E692 H696 N697 K698 L731 P734 V735 | F649-Y694 WeakPolarHBondContact O-CE2 3.47Å; N651-Y694 WeakPolarHBondContact OD1-CA 3.46Å; N651-Y694 VanDerWaalsContact OD1-CB 3.23Å; N651-Y694 WeakPolarHBondContact OD1-CB 3.26Å; N651-Y694 PolarHBondContact OD1-N 3.33Å; N651-Y694 VanDerWaalsContact OD1-N 3.09Å; M652-Y694 HydrophobicContact CB-CE2 4.06Å; M652-Y694 HydrophobicContact CE-CE2 4.29Å; M652-Y694 WeakPolarHBondContact CE-OH 3.49Å; I655-Y694 HydrophobicContact CD1-CD2 3.94Å; I655-Y694 HydrophobicContact CD1-CG 3.87Å; I690-Y694 PolarHBondContact O-N 2.97Å; Y691-Y694 PolarHBondContact O-N 2.97Å; E692-Y694 VanDerWaalsContact C-N 3.25Å; E692-Y694 PolarHBondContact O-N 3.14Å; Y694-H696 PolarHBondContact O-N 3.25Å; Y694-N697 CarbonylContact O-C 3.57Å; Y694-N697 WeakPolarHBondContact O-CA 3Å; Y694-N697 WeakPolarHBondContact O-CB 3.44Å; Y694-N697 PolarHBondContact O-N 2.67Å; Y694-K698 HydrophobicContact CE1-CD 4.31Å; Y694-K698 PolarHBondContact O-N 3.33Å; Y694-L731 PolarHBondContact OH-O 2.83Å; Y694-P734 HydrophobicContact CD1-CB 3.77Å; Y694-P734 HydrophobicContact CD1-CG 4.21Å; Y694-P734 HydrophobicContact CE1-CB 3.77Å; Y694-P734 HydrophobicContact CE1-CG 3.77Å; Y694-P734 HydrophobicContact CE2-CG 4.11Å; Y694-P734 HydrophobicContact CG-CB 4.21Å; Y694-V735 HydrophobicContact CD1-CG2 4.26Å; Y694-V735 HydrophobicContact CE1-CG2 4.15Å |
| 695 | C | 87.9 | Confident | 88.2 | Confident | 8 Ų | 8 | 42.4 Ų | 42.4 | 5% | 0.054 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.7 | -40.4 | -176.9 | -68.3 | 0 | 0 | 0 | 0 | 111.7 | Y691 E692 N697 K698 P699 V775 M779 | Y691-C695 WeakPolarHBondContact O-CB 3.47Å; Y691-C695 PolarHBondContact O-N 2.79Å; Y691-C695 PolarHBondContact O-SG 3.25Å; E692-C695 PolarHBondContact O-N 2.76Å; C695-N697 PolarHBondContact O-N 3.09Å; C695-N697 VanDerWaalsContact O-N 3.14Å; C695-K698 PolarHBondContact O-N 3.14Å; C695-K698 VanDerWaalsContact O-N 3.08Å; C695-P699 VanDerWaalsContact O-CD 3.23Å; C695-P699 WeakPolarHBondContact O-CD 3.44Å; C695-V775 HydrophobicContact CB-CG1 3.39Å; C695-M779 VanDerWaalsContact O-SD 3.36Å |
| 696 | H | 82.8 | Confident | 87.9 | Confident | 39 Ų | 39 | 46.7 Ų | 46.7 | 18% | 0.181 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -24.2 | 169.5 | -79.8 | 114 | 0 | 0 | 0 | 114.4 | E692 Y694 R700 S778 | E692-H696 WeakPolarHBondContact CG-CE1 3.46Å; E692-H696 WeakPolarHBondContact CG-ND1 3.38Å; E692-H696 WeakPolarHBondContact O-CB 3.41Å; E692-H696 PolarHBondContact O-N 3.25Å; E692-H696 PolarHBondContact O-ND1 2.99Å; E692-H696 IonicContact OE1-CE1 3.73Å; E692-H696 PolarHBondContact OE1-CE1 3.31Å; Y694-H696 PolarHBondContact O-N 3.25Å; H696-R700 PolarHBondContact O-NE 3.18Å; H696-R700 PolarHBondContact O-NH2 3.41Å; H696-S778 VanDerWaalsContact CE1-CB 3.42Å; H696-S778 WeakPolarHBondContact CE1-CB 3.37Å; H696-S778 PolarHBondContact CE1-OG 3.45Å; H696-S778 WeakPolarHBondContact NE2-CB 3.29Å; H696-S778 PolarHBondContact NE2-OG 3.24Å |
| 697 | N | 87.1 | Confident | 87.8 | Confident | 14 Ų | 14 | 46.1 Ų | 46.1 | 8% | 0.075 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -24.2 | 176.2 | -172.4 | 66.6 | 0 | 0 | 0 | 113 | V647 G650 K693 Y694 C695 P699 R700 S701 | V647-N697 PolarHBondContact O-ND2 3.05Å; G650-N697 VanDerWaalsContact CA-ND2 3.31Å; G650-N697 WeakPolarHBondContact CA-ND2 3.48Å; G650-N697 PolarHBondContact N-ND2 2.66Å; K693-N697 PolarHBondContact O-N 3.43Å; Y694-N697 CarbonylContact O-C 3.57Å; Y694-N697 WeakPolarHBondContact O-CA 3Å; Y694-N697 WeakPolarHBondContact O-CB 3.44Å; Y694-N697 PolarHBondContact O-N 2.67Å; C695-N697 PolarHBondContact O-N 3.09Å; C695-N697 VanDerWaalsContact O-N 3.14Å; N697-P699 VanDerWaalsContact C-N 3.35Å; N697-R700 WeakPolarHBondContact O-CA 3.44Å; N697-R700 PolarHBondContact O-N 3.43Å; N697-S701 PolarHBondContact O-N 3Å |
| 698 | K | 87.2 | Confident | 87.6 | Confident | 19 Ų | 19 | 43.6 Ų | 43.6 | 8% | 0.083 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -55.5 | -36 | -173.4 | -174.3 | 66.9 | -161.9 | 85.7 | 0 | 114.6 | Y694 C695 S701 E702 | Y694-K698 HydrophobicContact CE1-CD 4.31Å; Y694-K698 PolarHBondContact O-N 3.33Å; C695-K698 PolarHBondContact O-N 3.14Å; C695-K698 VanDerWaalsContact O-N 3.08Å; K698-S701 WeakPolarHBondContact O-CB 3.5Å; K698-E702 IonicContact NZ-OE2 3.48Å; K698-E702 PolarHBondContact NZ-OE2 2.81Å; K698-E702 WeakPolarHBondContact O-CB 3.45Å; K698-E702 PolarHBondContact O-N 3.24Å |
| 699 | P | 80.8 | Confident | 87.4 | Confident | 46 Ų | 46 | 45 Ų | 45 | 30% | 0.299 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.6 | -37.6 | 171.6 | -26.3 | 36.4 | 0 | 0 | 0 | 114.1 | C695 N697 E702 S703 M779 | C695-P699 VanDerWaalsContact O-CD 3.23Å; C695-P699 WeakPolarHBondContact O-CD 3.44Å; N697-P699 VanDerWaalsContact C-N 3.35Å; P699-E702 WeakPolarHBondContact O-CB 3.28Å; P699-E702 PolarHBondContact O-N 2.86Å; P699-S703 WeakPolarHBondContact O-CB 3.49Å; P699-S703 PolarHBondContact O-N 3.38Å; P699-M779 HydrophobicContact CG-CE 3.58Å; P699-M779 HydrophobicContact CG-SD 4.17Å |
| 700 | R | 85.1 | Confident | 87.4 | Confident | 143 Ų | 143 | 47.8 Ų | 47.8 | 54% | 0.54 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -73.3 | -40.9 | 178.4 | -69.7 | 174 | -79.3 | 160.1 | -4.1 | 111.4 | V647 H696 N697 E702 S703 L704 | V647-R700 HydrophobicContact CG1-CB 3.95Å; H696-R700 PolarHBondContact O-NE 3.18Å; H696-R700 PolarHBondContact O-NH2 3.41Å; N697-R700 WeakPolarHBondContact O-CA 3.44Å; N697-R700 PolarHBondContact O-N 3.43Å; R700-E702 VanDerWaalsContact C-N 3.32Å; R700-E702 PolarHBondContact O-N 3.38Å; R700-S703 PolarHBondContact O-N 3.01Å; R700-L704 VanDerWaalsContact O-CB 3.29Å; R700-L704 WeakPolarHBondContact O-CB 3.47Å; R700-L704 PolarHBondContact O-N 2.95Å |
| 701 | S | 90.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -54.8 | -46 | 167.1 | 165.4 | 0 | 0 | 0 | 0 | 111.9 | V647 L648 N697 K698 W705 | V647-S701 VanDerWaalsContact O-CA 3.29Å; V647-S701 WeakPolarHBondContact O-CA 3.3Å; V647-S701 VanDerWaalsContact O-CB 3.29Å; V647-S701 WeakPolarHBondContact O-CB 3.24Å; L648-S701 VanDerWaalsContact O-CB 3.29Å; L648-S701 WeakPolarHBondContact O-CB 3.38Å; L648-S701 PolarHBondContact O-OG 2.74Å; N697-S701 PolarHBondContact O-N 3Å; K698-S701 WeakPolarHBondContact O-CB 3.5Å; S701-W705 WeakPolarHBondContact O-CB 3.3Å; S701-W705 PolarHBondContact O-N 3.13Å |
| 702 | E | 83.9 | Confident | 87.4 | Confident | 48 Ų | 48 | 49.7 Ų | 49.7 | 22% | 0.224 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.1 | -46.7 | 179.2 | -176.1 | 70 | -163.1 | 0 | 0 | 113 | K698 P699 R700 L704 W705 R706 | K698-E702 IonicContact NZ-OE2 3.48Å; K698-E702 PolarHBondContact NZ-OE2 2.81Å; K698-E702 WeakPolarHBondContact O-CB 3.45Å; K698-E702 PolarHBondContact O-N 3.24Å; P699-E702 WeakPolarHBondContact O-CB 3.28Å; P699-E702 PolarHBondContact O-N 2.86Å; R700-E702 VanDerWaalsContact C-N 3.32Å; R700-E702 PolarHBondContact O-N 3.38Å; E702-L704 VanDerWaalsContact C-N 3.33Å; E702-L704 PolarHBondContact O-N 3.44Å; E702-W705 PolarHBondContact O-N 2.82Å; E702-R706 VanDerWaalsContact CG-CZ 3.45Å; E702-R706 WeakPolarHBondContact O-CG 3.43Å; E702-R706 PolarHBondContact O-N 3.48Å; E702-R706 VanDerWaalsContact O-N 3.08Å; E702-R706 IonicContact OE1-CZ 3.73Å; E702-R706 IonicContact OE1-NE 2.75Å; E702-R706 PolarHBondContact OE1-NE 2.84Å; E702-R706 IonicContact OE1-NH2 2.68Å; E702-R706 PolarHBondContact OE1-NH2 2.75Å |
| 703 | S | 81.3 | Confident | 87.9 | Confident | 44 Ų | 44 | 46.6 Ų | 46.6 | 31% | 0.308 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.7 | -38 | 178.1 | -174.9 | 0 | 0 | 0 | 0 | 111.6 | P699 R700 Q707 | P699-S703 WeakPolarHBondContact O-CB 3.49Å; P699-S703 PolarHBondContact O-N 3.38Å; R700-S703 PolarHBondContact O-N 3.01Å; S703-Q707 WeakPolarHBondContact O-CG 3.41Å; S703-Q707 PolarHBondContact O-NE2 3.3Å |
| 704 | L | 88.9 | Confident | 88.3 | Confident | 7 Ų | 7 | 41.4 Ų | 41.4 | 4% | 0.037 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.6 | -46 | 171.6 | 176 | 58.2 | 0 | 0 | 0 | 112.1 | P640 L641 K644 V647 L648 R700 E702 R706 Q707 C708 | P640-L704 VanDerWaalsContact O-CD1 3.31Å; P640-L704 WeakPolarHBondContact O-CD1 3.26Å; L641-L704 HydrophobicContact CD1-CD2 4.38Å; K644-L704 HydrophobicContact CB-CD2 3.62Å; K644-L704 HydrophobicContact CD-CD1 3.8Å; K644-L704 HydrophobicContact CD-CD2 4.1Å; V647-L704 HydrophobicContact CB-CD2 4.1Å; V647-L704 HydrophobicContact CG1-CD2 4.13Å; L648-L704 HydrophobicContact CB-CD2 4.04Å; R700-L704 VanDerWaalsContact O-CB 3.29Å; R700-L704 WeakPolarHBondContact O-CB 3.47Å; R700-L704 PolarHBondContact O-N 2.95Å; E702-L704 VanDerWaalsContact C-N 3.33Å; E702-L704 PolarHBondContact O-N 3.44Å; L704-R706 VanDerWaalsContact C-N 3.3Å; L704-R706 PolarHBondContact O-N 2.82Å; L704-Q707 WeakPolarHBondContact O-CB 3.4Å; L704-Q707 PolarHBondContact O-N 3.01Å; L704-C708 PolarHBondContact O-SG 3Å |
| 705 | W | 89.1 | Confident | 88.4 | Confident | 30 Ų | 30 | 46.8 Ų | 46.8 | 11% | 0.114 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -54.9 | -45.6 | 177.6 | 172.9 | -104 | 0 | 0 | 0 | 111.5 | L648 S701 E702 Q707 C708 S709 F714 L727 D728 | L648-W705 HydrophobicContact CD1-CB 4.38Å; S701-W705 WeakPolarHBondContact O-CB 3.3Å; S701-W705 PolarHBondContact O-N 3.13Å; E702-W705 PolarHBondContact O-N 2.82Å; W705-Q707 PolarHBondContact O-N 3.15Å; W705-Q707 VanDerWaalsContact O-N 3.11Å; W705-C708 CarbonylContact O-C 3.59Å; W705-C708 PolarHBondContact O-N 3.21Å; W705-S709 VanDerWaalsContact CE2-CB 3.45Å; W705-S709 WeakPolarHBondContact O-CA 3.38Å; W705-S709 WeakPolarHBondContact O-CB 3.31Å; W705-S709 PolarHBondContact O-N 3.19Å; W705-F714 HydrophobicContact CE3-CD2 4.07Å; W705-F714 AromaticContact CE3-CE2 3.73Å; W705-F714 HydrophobicContact CE3-CE2 3.73Å; W705-F714 HydrophobicContact CE3-CZ 4.03Å; W705-F714 HydrophobicContact CH2-CB 4.36Å; W705-F714 AromaticContact CH2-CD2 4Å; W705-F714 HydrophobicContact CH2-CD2 4Å; W705-F714 HydrophobicContact CH2-CE2 4.49Å; W705-F714 HydrophobicContact CH2-CG 4.16Å; W705-F714 HydrophobicContact CZ3-CB 4.3Å; W705-F714 AromaticContact CZ3-CD1 3.97Å; W705-F714 HydrophobicContact CZ3-CD1 3.97Å; W705-F714 AromaticContact CZ3-CD2 3.35Å; W705-F714 HydrophobicContact CZ3-CD2 3.35Å; W705-F714 HydrophobicContact CZ3-CE1 4.08Å; W705-F714 AromaticContact CZ3-CE2 3.47Å; W705-F714 HydrophobicContact CZ3-CE2 3.47Å; W705-F714 VanDerWaalsContact CZ3-CE2 3.47Å; W705-F714 AromaticContact CZ3-CG 3.63Å; W705-F714 HydrophobicContact CZ3-CG 3.63Å; W705-F714 AromaticContact CZ3-CZ 3.85Å; W705-F714 HydrophobicContact CZ3-CZ 3.85Å; W705-L727 HydrophobicContact CE3-CD2 4.47Å; W705-L727 HydrophobicContact CH2-CB 3.83Å; W705-L727 HydrophobicContact CZ3-CB 3.74Å; W705-L727 HydrophobicContact CZ3-CD2 4.01Å; W705-L727 HydrophobicContact CZ3-CG 4.26Å; W705-D728 HydrophobicContact CD2-CB 4.46Å; W705-D728 HydrophobicContact CZ2-CB 4.31Å |
| 706 | R | 85.6 | Confident | 88.7 | Confident | 118 Ų | 118 | 49.3 Ų | 49.3 | 45% | 0.445 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.7 | -18.8 | 177.9 | -67.4 | 169.5 | -167.8 | 163.9 | 0.6 | 114.7 | E702 L704 | E702-R706 VanDerWaalsContact CG-CZ 3.45Å; E702-R706 WeakPolarHBondContact O-CG 3.43Å; E702-R706 PolarHBondContact O-N 3.48Å; E702-R706 VanDerWaalsContact O-N 3.08Å; E702-R706 IonicContact OE1-CZ 3.73Å; E702-R706 IonicContact OE1-NE 2.75Å; E702-R706 PolarHBondContact OE1-NE 2.84Å; E702-R706 IonicContact OE1-NH2 2.68Å; E702-R706 PolarHBondContact OE1-NH2 2.75Å; L704-R706 VanDerWaalsContact C-N 3.3Å; L704-R706 PolarHBondContact O-N 2.82Å |
| 707 | Q | 85.8 | Confident | 89.4 | Confident | 110 Ų | 110 | 47.4 Ų | 47.4 | 51% | 0.514 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -10.2 | 175.7 | -64.6 | 163.5 | 43.2 | 0 | 0 | 113 | S703 L704 W705 | S703-Q707 WeakPolarHBondContact O-CG 3.41Å; S703-Q707 PolarHBondContact O-NE2 3.3Å; L704-Q707 WeakPolarHBondContact O-CB 3.4Å; L704-Q707 PolarHBondContact O-N 3.01Å; W705-Q707 PolarHBondContact O-N 3.15Å; W705-Q707 VanDerWaalsContact O-N 3.11Å |
| 708 | C | 89.1 | Confident | 89.8 | Confident | 8 Ų | 8 | 49.7 Ų | 49.7 | 5% | 0.054 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -152.5 | 9.5 | -171.7 | 59 | 0 | 0 | 0 | 0 | 116.2 | P638 L704 W705 D710 C711 F714 | P638-C708 HydrophobicContact CG-CB 4.08Å; L704-C708 PolarHBondContact O-SG 3Å; W705-C708 CarbonylContact O-C 3.59Å; W705-C708 PolarHBondContact O-N 3.21Å; C708-D710 PolarHBondContact O-N 3.4Å; C708-D710 VanDerWaalsContact O-N 3.12Å; C708-C711 WeakPolarHBondContact O-CB 3.2Å; C708-C711 PolarHBondContact O-N 3Å; C708-C711 PolarHBondContact O-SG 3.48Å; C708-F714 HydrophobicContact CB-CE2 4.36Å; C708-F714 VanDerWaalsContact O-CD2 3.24Å; C708-F714 WeakPolarHBondContact O-CD2 3.38Å; C708-F714 WeakPolarHBondContact O-CE2 3.37Å |
| 709 | S | 88.4 | Confident | 90.1 | Very high | 30 Ų | 30 | 55.4 Ų | 55.4 | 21% | 0.21 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | -39.8 | -177.8 | 51.9 | 0 | 0 | 0 | 0 | 113.1 | W705 C711 | W705-S709 VanDerWaalsContact CE2-CB 3.45Å; W705-S709 WeakPolarHBondContact O-CA 3.38Å; W705-S709 WeakPolarHBondContact O-CB 3.31Å; W705-S709 PolarHBondContact O-N 3.19Å; S709-C711 VanDerWaalsContact C-N 3.29Å; S709-C711 PolarHBondContact O-N 3.16Å |
| 710 | D | 88.4 | Confident | 90.7 | Very high | 131 Ų | 131 | 58 Ų | 58 | 70% | 0.701 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | 7.9 | -170.8 | -55 | 3.2 | 0 | 0 | 0 | 111.8 | C708 Q715 | C708-D710 PolarHBondContact O-N 3.4Å; C708-D710 VanDerWaalsContact O-N 3.12Å; D710-Q715 PolarHBondContact O-NE2 3.43Å |
| 711 | C | 91.9 | Very high | 91.1 | Very high | 21 Ų | 21 | 53.4 Ų | 53.4 | 14% | 0.142 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -74.2 | 148.9 | -177.7 | 77.7 | 0 | 0 | 0 | 0 | 113.2 | P638 C708 S709 F713 F714 Q715 | P638-C711 HydrophobicContact CG-CB 3.75Å; C708-C711 WeakPolarHBondContact O-CB 3.2Å; C708-C711 PolarHBondContact O-N 3Å; C708-C711 PolarHBondContact O-SG 3.48Å; S709-C711 VanDerWaalsContact C-N 3.29Å; S709-C711 PolarHBondContact O-N 3.16Å; C711-F713 PolarHBondContact O-N 2.75Å; C711-F713 VanDerWaalsContact O-N 3.11Å; C711-F714 PolarHBondContact O-N 2.93Å; C711-F714 VanDerWaalsContact O-N 3.1Å; C711-F714 WeakPolarHBondContact SG-CD2 3.41Å; C711-Q715 PolarHBondContact O-N 3.03Å |
| 712 | A | 94.1 | Very high | 91.3 | Very high | 48 Ų | 48 | 61.7 Ų | 61.7 | 40% | 0.397 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -56.5 | -31 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L636 Q715 E716 | L636-A712 HydrophobicContact CD2-CB 4.13Å; A712-Q715 PolarHBondContact O-N 3.27Å; A712-E716 WeakPolarHBondContact O-CB 2.95Å; A712-E716 PolarHBondContact O-N 2.93Å |
| 713 | F | 96.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.3 | -51.6 | 174.7 | 174 | -98.4 | 0 | 0 | 0 | 112.3 | E627 M628 M633 L636 I637 L641 C711 C717 | E627-F713 HydrophobicContact CB-CE2 4.01Å; E627-F713 HydrophobicContact CB-CZ 4Å; M628-F713 HydrophobicContact CB-CZ 4.2Å; M628-F713 HydrophobicContact CG-CE1 3.6Å; M628-F713 HydrophobicContact CG-CE2 4.28Å; M628-F713 HydrophobicContact CG-CZ 3.39Å; M633-F713 HydrophobicContact CB-CD2 4.21Å; M633-F713 HydrophobicContact CB-CE2 4.03Å; M633-F713 HydrophobicContact CE-CD2 3.89Å; M633-F713 HydrophobicContact CE-CE2 4.05Å; L636-F713 HydrophobicContact CB-CB 3.94Å; L636-F713 WeakPolarHBondContact O-CB 3.27Å; I637-F713 HydrophobicContact CD1-CD2 4.32Å; I637-F713 HydrophobicContact CD1-CE2 4.31Å; I637-F713 HydrophobicContact CG1-CB 4.39Å; I637-F713 HydrophobicContact CG1-CD2 3.67Å; I637-F713 HydrophobicContact CG1-CE2 4.15Å; I637-F713 HydrophobicContact CG1-CG 3.99Å; L641-F713 HydrophobicContact CD2-CD1 4.12Å; C711-F713 PolarHBondContact O-N 2.75Å; C711-F713 VanDerWaalsContact O-N 3.11Å; F713-C717 WeakPolarHBondContact O-CB 3.25Å; F713-C717 PolarHBondContact O-N 3.46Å; F713-C717 PolarHBondContact O-SG 3.4Å |
| 714 | F | 96.4 | Very high | 92.1 | Very high | 3 Ų | 3 | 67.9 Ų | 67.9 | 1% | 0.013 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.2 | -35.9 | -179.2 | -64.3 | -48.8 | 0 | 0 | 0 | 112.4 | Y624 L641 L648 W705 C708 C711 Q718 L727 | Y624-F714 HydrophobicContact CD1-CD1 4.13Å; L641-F714 HydrophobicContact CD1-CZ 4.12Å; L641-F714 HydrophobicContact CD2-CE1 4.02Å; L641-F714 HydrophobicContact CD2-CE2 3.93Å; L641-F714 HydrophobicContact CD2-CZ 3.43Å; L641-F714 VanDerWaalsContact CD2-CZ 3.43Å; L641-F714 HydrophobicContact CG-CZ 4.44Å; L648-F714 HydrophobicContact CD2-CE1 3.73Å; L648-F714 HydrophobicContact CD2-CZ 3.61Å; W705-F714 HydrophobicContact CE3-CD2 4.07Å; W705-F714 AromaticContact CE3-CE2 3.73Å; W705-F714 HydrophobicContact CE3-CE2 3.73Å; W705-F714 HydrophobicContact CE3-CZ 4.03Å; W705-F714 HydrophobicContact CH2-CB 4.36Å; W705-F714 AromaticContact CH2-CD2 4Å; W705-F714 HydrophobicContact CH2-CD2 4Å; W705-F714 HydrophobicContact CH2-CE2 4.49Å; W705-F714 HydrophobicContact CH2-CG 4.16Å; W705-F714 HydrophobicContact CZ3-CB 4.3Å; W705-F714 AromaticContact CZ3-CD1 3.97Å; W705-F714 HydrophobicContact CZ3-CD1 3.97Å; W705-F714 AromaticContact CZ3-CD2 3.35Å; W705-F714 HydrophobicContact CZ3-CD2 3.35Å; W705-F714 HydrophobicContact CZ3-CE1 4.08Å; W705-F714 AromaticContact CZ3-CE2 3.47Å; W705-F714 HydrophobicContact CZ3-CE2 3.47Å; W705-F714 VanDerWaalsContact CZ3-CE2 3.47Å; W705-F714 AromaticContact CZ3-CG 3.63Å; W705-F714 HydrophobicContact CZ3-CG 3.63Å; W705-F714 AromaticContact CZ3-CZ 3.85Å; W705-F714 HydrophobicContact CZ3-CZ 3.85Å; C708-F714 HydrophobicContact CB-CE2 4.36Å; C708-F714 VanDerWaalsContact O-CD2 3.24Å; C708-F714 WeakPolarHBondContact O-CD2 3.38Å; C708-F714 WeakPolarHBondContact O-CE2 3.37Å; C711-F714 PolarHBondContact O-N 2.93Å; C711-F714 VanDerWaalsContact O-N 3.1Å; C711-F714 WeakPolarHBondContact SG-CD2 3.41Å; F714-Q718 WeakPolarHBondContact O-CB 3.32Å; F714-Q718 PolarHBondContact O-N 3.48Å; F714-L727 HydrophobicContact CD1-CD2 3.88Å; F714-L727 HydrophobicContact CE1-CD2 3.66Å; F714-L727 HydrophobicContact CZ-CD2 4.44Å |
| 715 | Q | 94.8 | Very high | 92.2 | Very high | 115 Ų | 115 | 72.2 Ų | 72.2 | 54% | 0.537 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.4 | -47.2 | 177 | -62.8 | 179.8 | 8.1 | 0 | 0 | 111.6 | D710 C711 A712 Q718 K719 | D710-Q715 PolarHBondContact O-NE2 3.43Å; C711-Q715 PolarHBondContact O-N 3.03Å; A712-Q715 PolarHBondContact O-N 3.27Å; Q715-Q718 PolarHBondContact O-N 2.85Å; Q715-K719 VanDerWaalsContact O-CB 3.28Å; Q715-K719 WeakPolarHBondContact O-CB 3.32Å; Q715-K719 PolarHBondContact O-N 3.42Å |
| 716 | E | 95.3 | Very high | 92.2 | Very high | 61 Ų | 61 | 71.7 Ų | 71.7 | 29% | 0.285 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -70.2 | -38 | 179.3 | -175.7 | 59.7 | -158 | 0 | 0 | 111.8 | M633 L636 A712 K719 K720 | M633-E716 HydrophobicContact CE-CB 4.15Å; M633-E716 HydrophobicContact CE-CG 4.05Å; M633-E716 HydrophobicContact SD-CG 4.48Å; L636-E716 HydrophobicContact CD1-CB 4.29Å; L636-E716 HydrophobicContact CD1-CG 4.48Å; A712-E716 WeakPolarHBondContact O-CB 2.95Å; A712-E716 PolarHBondContact O-N 2.93Å; E716-K719 PolarHBondContact O-N 2.9Å; E716-K719 IonicContact OE1-NZ 3.21Å; E716-K719 PolarHBondContact OE1-NZ 3.49Å; E716-K719 IonicContact OE2-NZ 3.68Å; E716-K719 PolarHBondContact OE2-NZ 2.99Å; E716-K720 HydrophobicContact CG-CD 4.42Å; E716-K720 WeakPolarHBondContact O-CB 3.04Å; E716-K720 VanDerWaalsContact O-CG 3.28Å; E716-K720 WeakPolarHBondContact O-CG 3.27Å; E716-K720 PolarHBondContact O-N 3.07Å |
| 717 | C | 96 | Very high | 92.6 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 171.1 | -69.4 | 0 | 0 | 0 | 0 | 112 | G623 Y624 M633 F713 K719 K720 L721 | G623-C717 WeakPolarHBondContact O-CB 3.33Å; Y624-C717 HydrophobicContact CD1-CB 3.38Å; Y624-C717 HydrophobicContact CE1-CB 3.56Å; Y624-C717 HydrophobicContact CG-CB 4.14Å; M633-C717 VanDerWaalsContact CE-SG 3.53Å; F713-C717 WeakPolarHBondContact O-CB 3.25Å; F713-C717 PolarHBondContact O-N 3.46Å; F713-C717 PolarHBondContact O-SG 3.4Å; C717-K719 VanDerWaalsContact C-N 3.31Å; C717-K719 PolarHBondContact O-N 2.97Å; C717-K720 PolarHBondContact O-N 2.76Å; C717-L721 WeakPolarHBondContact O-CD1 3.23Å; C717-L721 VanDerWaalsContact O-CG 3.25Å; C717-L721 WeakPolarHBondContact O-CG 3.44Å; C717-L721 PolarHBondContact O-N 3.22Å |
| 718 | Q | 95.6 | Very high | 92.8 | Very high | 61 Ų | 61 | 63.1 Ų | 63.1 | 29% | 0.285 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.6 | -40.1 | 177.6 | -172.2 | -178.5 | -24.2 | 0 | 0 | 111.8 | Y624 F714 Q715 L721 E722 H723 L725 | Y624-Q718 HydrophobicContact CE1-CB 4.42Å; Y624-Q718 WeakPolarHBondContact OH-CA 3.3Å; Y624-Q718 WeakPolarHBondContact OH-CB 3.47Å; F714-Q718 WeakPolarHBondContact O-CB 3.32Å; F714-Q718 PolarHBondContact O-N 3.48Å; Q715-Q718 PolarHBondContact O-N 2.85Å; Q718-L721 PolarHBondContact O-N 3.21Å; Q718-E722 PolarHBondContact O-N 2.72Å; Q718-H723 HydrophobicContact CG-CB 3.63Å; Q718-H723 VanDerWaalsContact CG-O 3.25Å; Q718-H723 WeakPolarHBondContact CG-O 3.36Å; Q718-H723 PolarHBondContact NE2-O 2.99Å; Q718-H723 PolarHBondContact O-N 2.82Å; Q718-L725 PolarHBondContact NE2-O 3.29Å |
| 719 | K | 94.3 | Very high | 92.9 | Very high | 140 Ų | 140 | 64.5 Ų | 64.5 | 61% | 0.609 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -65.6 | -44.2 | 175.7 | 174.4 | 178.7 | 151.3 | -135.3 | 0 | 112.6 | Q715 E716 C717 L721 E722 | Q715-K719 VanDerWaalsContact O-CB 3.28Å; Q715-K719 WeakPolarHBondContact O-CB 3.32Å; Q715-K719 PolarHBondContact O-N 3.42Å; E716-K719 PolarHBondContact O-N 2.9Å; E716-K719 IonicContact OE1-NZ 3.21Å; E716-K719 PolarHBondContact OE1-NZ 3.49Å; E716-K719 IonicContact OE2-NZ 3.68Å; E716-K719 PolarHBondContact OE2-NZ 2.99Å; C717-K719 VanDerWaalsContact C-N 3.31Å; C717-K719 PolarHBondContact O-N 2.97Å; K719-L721 PolarHBondContact O-N 3.03Å; K719-E722 PolarHBondContact O-N 3.46Å |
| 720 | K | 93.6 | Very high | 93.2 | Very high | 99 Ų | 99 | 64.4 Ų | 64.4 | 43% | 0.43 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59 | -26.5 | 174.9 | -79 | 169.1 | 169.9 | 179.2 | 0 | 113.9 | E627 M633 E716 C717 | E627-K720 IonicContact OE2-NZ 2.72Å; E627-K720 PolarHBondContact OE2-NZ 2.91Å; M633-K720 PolarHBondContact SD-NZ 3.33Å; E716-K720 HydrophobicContact CG-CD 4.42Å; E716-K720 WeakPolarHBondContact O-CB 3.04Å; E716-K720 VanDerWaalsContact O-CG 3.28Å; E716-K720 WeakPolarHBondContact O-CG 3.27Å; E716-K720 PolarHBondContact O-N 3.07Å; C717-K720 PolarHBondContact O-N 2.76Å |
| 721 | L | 93.6 | Very high | 93.4 | Very high | 48 Ų | 48 | 58.1 Ų | 58.1 | 25% | 0.251 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 2.2 | -178.5 | -57.5 | 168.4 | 0 | 0 | 0 | 113.3 | Y624 C717 Q718 K719 H723 | Y624-L721 HydrophobicContact CD2-CD1 3.74Å; Y624-L721 HydrophobicContact CE2-CD1 3.32Å; C717-L721 WeakPolarHBondContact O-CD1 3.23Å; C717-L721 VanDerWaalsContact O-CG 3.25Å; C717-L721 WeakPolarHBondContact O-CG 3.44Å; C717-L721 PolarHBondContact O-N 3.22Å; Q718-L721 PolarHBondContact O-N 3.21Å; K719-L721 PolarHBondContact O-N 3.03Å; L721-H723 HydrophobicContact CB-CB 4.33Å; L721-H723 PolarHBondContact O-CD2 3.28Å; L721-H723 VanDerWaalsContact O-CD2 3.31Å; L721-H723 PolarHBondContact O-N 3.17Å |
| 722 | E | 94.3 | Very high | 93.4 | Very high | 174 Ų | 174 | 60.2 Ų | 60.2 | 81% | 0.813 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 28.7 | -172.7 | -57.2 | -173.1 | -176.7 | 0 | 0 | 113.6 | Q718 K719 K724 | Q718-E722 PolarHBondContact O-N 2.72Å; K719-E722 PolarHBondContact O-N 3.46Å; E722-K724 PolarHBondContact O-N 3.03Å |
| 723 | H | 92.7 | Very high | 93.3 | Very high | 25 Ų | 25 | 59.2 Ų | 59.2 | 12% | 0.116 | 29% | 0.285 | C | S | . | . | trans | -73.2 | 120.4 | -171.8 | -89.6 | -169.8 | 0 | 0 | 0 | 112.2 | C619 Y624 Q718 L721 L725 Y730 | C619-H723 PolarHBondContact SG-NE2 3.34Å; Y624-H723 AromaticContact CE2-ND1 3.67Å; Y624-H723 AromaticContact CZ-ND1 3.94Å; Y624-H723 PolarHBondContact OH-ND1 3.34Å; Q718-H723 HydrophobicContact CG-CB 3.63Å; Q718-H723 VanDerWaalsContact CG-O 3.25Å; Q718-H723 WeakPolarHBondContact CG-O 3.36Å; Q718-H723 PolarHBondContact NE2-O 2.99Å; Q718-H723 PolarHBondContact O-N 2.82Å; L721-H723 HydrophobicContact CB-CB 4.33Å; L721-H723 PolarHBondContact O-CD2 3.28Å; L721-H723 VanDerWaalsContact O-CD2 3.31Å; L721-H723 PolarHBondContact O-N 3.17Å; H723-L725 VanDerWaalsContact C-N 3.32Å; H723-L725 PolarHBondContact O-N 3.08Å; H723-Y730 AromaticContact CD2-CZ 3.95Å; H723-Y730 PolarHBondContact CD2-OH 3.36Å; H723-Y730 VanDerWaalsContact CD2-OH 3.28Å; H723-Y730 AromaticContact CE1-CE1 3.56Å; H723-Y730 AromaticContact CE1-CE2 3.95Å; H723-Y730 AromaticContact CE1-CZ 3.44Å; H723-Y730 VanDerWaalsContact CE1-CZ 3.44Å; H723-Y730 AromaticContact CG-CZ 3.81Å; H723-Y730 AromaticContact ND1-CE2 3.63Å; H723-Y730 AromaticContact ND1-CZ 3.5Å; H723-Y730 AromaticContact NE2-CE1 3.79Å; H723-Y730 AromaticContact NE2-CZ 3.7Å; H723-Y730 PolarHBondContact NE2-OH 2.77Å | ||
| 724 | K | 89.2 | Confident | 93.3 | Very high | 196 Ų | 196 | 59.2 Ų | 59.2 | 85% | 0.852 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -80.9 | -8.8 | -179.7 | -62.2 | -177.7 | -178.7 | 178.3 | 0 | 114.5 | E722 | E722-K724 PolarHBondContact O-N 3.03Š|
| 725 | L | 90.3 | Very high | 93 | Very high | 98 Ų | 98 | 61.2 Ų | 61.2 | 51% | 0.513 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -123.2 | 152.8 | 178 | -59.6 | 176.2 | 0 | 0 | 0 | 109.4 | Q718 H723 Y730 | Q718-L725 PolarHBondContact NE2-O 3.29Å; H723-L725 VanDerWaalsContact C-N 3.32Å; H723-L725 PolarHBondContact O-N 3.08Å; L725-Y730 HydrophobicContact CB-CE2 3.94Å |
| 726 | G | 90.4 | Very high | 92.7 | Very high | 19 Ų | 19 | 60.3 Ų | 60.3 | 20% | 0.196 | 29% | 0.293 | C | S | . | . | trans | -66.8 | 160.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D728 S729 Y730 | G726-D728 VanDerWaalsContact CA-OD1 3.3Å; G726-D728 WeakPolarHBondContact CA-OD1 3.44Å; G726-D728 PolarHBondContact O-N 2.74Å; G726-S729 WeakPolarHBondContact O-CB 3.38Å; G726-S729 PolarHBondContact O-N 3.31Å; G726-S729 VanDerWaalsContact O-N 3.1Å; G726-Y730 WeakPolarHBondContact O-CD2 3.27Å | ||
| 727 | L | 94.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.9 | -33.2 | -178.7 | 172.1 | 60.5 | 0 | 0 | 0 | 112.4 | V620 Y624 L648 F649 W705 F714 S729 Y730 L731 | V620-L727 HydrophobicContact CG1-CD1 3.74Å; V620-L727 HydrophobicContact CG2-CD1 4.49Å; Y624-L727 HydrophobicContact CD1-CB 4.45Å; Y624-L727 HydrophobicContact CD1-CD1 4.39Å; Y624-L727 HydrophobicContact CD1-CD2 3.94Å; Y624-L727 HydrophobicContact CD1-CG 4.49Å; Y624-L727 HydrophobicContact CD2-CD1 3.83Å; Y624-L727 HydrophobicContact CE1-CB 4.09Å; Y624-L727 HydrophobicContact CE1-CD2 4.4Å; Y624-L727 HydrophobicContact CE2-CD1 4.01Å; Y624-L727 HydrophobicContact CG-CD1 4.01Å; Y624-L727 HydrophobicContact CG-CD2 4.1Å; L648-L727 HydrophobicContact CD2-CD2 4.1Å; F649-L727 HydrophobicContact CE1-CD1 4.14Å; F649-L727 HydrophobicContact CE1-CD2 4.17Å; F649-L727 HydrophobicContact CZ-CD2 4.18Å; W705-L727 HydrophobicContact CE3-CD2 4.47Å; W705-L727 HydrophobicContact CH2-CB 3.83Å; W705-L727 HydrophobicContact CZ3-CB 3.74Å; W705-L727 HydrophobicContact CZ3-CD2 4.01Å; W705-L727 HydrophobicContact CZ3-CG 4.26Å; F714-L727 HydrophobicContact CD1-CD2 3.88Å; F714-L727 HydrophobicContact CE1-CD2 3.66Å; F714-L727 HydrophobicContact CZ-CD2 4.44Å; L727-S729 PolarHBondContact O-N 3.4Å; L727-Y730 CarbonylContact O-C 3.35Å; L727-Y730 WeakPolarHBondContact O-CA 3.46Å; L727-Y730 PolarHBondContact O-N 3.48Å; L727-L731 HydrophobicContact CD1-CD2 4.45Å; L727-L731 HydrophobicContact CD1-CG 4.11Å; L727-L731 HydrophobicContact CD2-CD1 4.39Å; L727-L731 HydrophobicContact CG-CD1 3.93Å; L727-L731 HydrophobicContact CG-CG 4.04Å; L727-L731 WeakPolarHBondContact O-CG 3.44Å; L727-L731 PolarHBondContact O-N 2.91Å |
| 728 | D | 89.8 | Confident | 92.6 | Very high | 48 Ų | 48 | 58.3 Ų | 58.3 | 26% | 0.257 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -48.9 | -43 | 172.9 | 66.3 | -63.1 | 0 | 0 | 0 | 113 | W705 G726 Y730 L731 L732 | W705-D728 HydrophobicContact CD2-CB 4.46Å; W705-D728 HydrophobicContact CZ2-CB 4.31Å; G726-D728 VanDerWaalsContact CA-OD1 3.3Å; G726-D728 WeakPolarHBondContact CA-OD1 3.44Å; G726-D728 PolarHBondContact O-N 2.74Å; D728-Y730 PolarHBondContact O-N 3.31Å; D728-L731 PolarHBondContact O-N 2.73Å; D728-L732 PolarHBondContact O-N 3.27Å; D728-L732 VanDerWaalsContact O-N 3.09Å |
| 729 | S | 89.8 | Confident | 92.3 | Very high | 37 Ų | 37 | 57.8 Ų | 57.8 | 26% | 0.259 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.9 | -27.1 | -178.4 | -67.4 | 0 | 0 | 0 | 0 | 111.8 | G726 L727 | G726-S729 WeakPolarHBondContact O-CB 3.38Å; G726-S729 PolarHBondContact O-N 3.31Å; G726-S729 VanDerWaalsContact O-N 3.1Å; L727-S729 PolarHBondContact O-N 3.4Å |
| 730 | Y | 94.5 | Very high | 92.2 | Very high | 27 Ų | 27 | 54.8 Ų | 54.8 | 11% | 0.106 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -85.6 | -33.9 | 172.4 | -61.1 | -105 | 0 | 0 | 0 | 112.2 | V620 H723 L725 G726 L727 D728 L732 K733 | V620-Y730 HydrophobicContact CG2-CD1 3.88Å; V620-Y730 HydrophobicContact CG2-CG 3.89Å; H723-Y730 AromaticContact CD2-CZ 3.95Å; H723-Y730 PolarHBondContact CD2-OH 3.36Å; H723-Y730 VanDerWaalsContact CD2-OH 3.28Å; H723-Y730 AromaticContact CE1-CE1 3.56Å; H723-Y730 AromaticContact CE1-CE2 3.95Å; H723-Y730 AromaticContact CE1-CZ 3.44Å; H723-Y730 VanDerWaalsContact CE1-CZ 3.44Å; H723-Y730 AromaticContact CG-CZ 3.81Å; H723-Y730 AromaticContact ND1-CE2 3.63Å; H723-Y730 AromaticContact ND1-CZ 3.5Å; H723-Y730 AromaticContact NE2-CE1 3.79Å; H723-Y730 AromaticContact NE2-CZ 3.7Å; H723-Y730 PolarHBondContact NE2-OH 2.77Å; L725-Y730 HydrophobicContact CB-CE2 3.94Å; G726-Y730 WeakPolarHBondContact O-CD2 3.27Å; L727-Y730 CarbonylContact O-C 3.35Å; L727-Y730 WeakPolarHBondContact O-CA 3.46Å; L727-Y730 PolarHBondContact O-N 3.48Å; D728-Y730 PolarHBondContact O-N 3.31Å; Y730-L732 PolarHBondContact O-N 3.1Å; Y730-K733 HydrophobicContact CD1-CD 4Å; Y730-K733 HydrophobicContact CG-CD 4.4Å; Y730-K733 VanDerWaalsContact O-CB 3.26Å; Y730-K733 WeakPolarHBondContact O-CB 3.46Å; Y730-K733 WeakPolarHBondContact O-CG 3.46Å; Y730-K733 PolarHBondContact O-N 2.88Å |
| 731 | L | 94.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.8 | -15.8 | 172.7 | -67.6 | 173.8 | 0 | 0 | 0 | 113.2 | L648 F649 M652 Y694 L727 D728 | L648-L731 HydrophobicContact CD1-CD1 3.83Å; L648-L731 HydrophobicContact CG-CD1 4.27Å; F649-L731 HydrophobicContact CD1-CD2 3.83Å; F649-L731 HydrophobicContact CE1-CD2 4.28Å; M652-L731 HydrophobicContact CE-CD2 4Å; Y694-L731 PolarHBondContact OH-O 2.83Å; L727-L731 HydrophobicContact CD1-CD2 4.45Å; L727-L731 HydrophobicContact CD1-CG 4.11Å; L727-L731 HydrophobicContact CD2-CD1 4.39Å; L727-L731 HydrophobicContact CG-CD1 3.93Å; L727-L731 HydrophobicContact CG-CG 4.04Å; L727-L731 WeakPolarHBondContact O-CG 3.44Å; L727-L731 PolarHBondContact O-N 2.91Å; D728-L731 PolarHBondContact O-N 2.73Å |
| 732 | L | 90.7 | Very high | 92.3 | Very high | 65 Ų | 65 | 49.9 Ų | 49.9 | 34% | 0.34 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -15 | 170.2 | -72.7 | 169.8 | 0 | 0 | 0 | 114.1 | D728 Y730 V735 Q736 | D728-L732 PolarHBondContact O-N 3.27Å; D728-L732 VanDerWaalsContact O-N 3.09Å; Y730-L732 PolarHBondContact O-N 3.1Å; L732-V735 PolarHBondContact O-N 3.42Å; L732-V735 VanDerWaalsContact O-N 3.16Å; L732-Q736 WeakPolarHBondContact O-CG 3.42Å; L732-Q736 PolarHBondContact O-N 3.31Å |
| 733 | K | 93.3 | Very high | 92.1 | Very high | 27 Ų | 27 | 44.8 Ų | 44.8 | 12% | 0.117 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.7 | -40.1 | -173.1 | -70.8 | 174.3 | 176.5 | -65.5 | 0 | 114.5 | Y613 E616 L617 Y730 V735 Q736 R737 | Y613-K733 HydrophobicContact CD2-CB 4.31Å; Y613-K733 HydrophobicContact CE2-CB 4.1Å; E616-K733 HydrophobicContact CB-CD 3.87Å; E616-K733 HydrophobicContact CG-CD 4.46Å; E616-K733 WeakPolarHBondContact OE1-CE 3.5Å; E616-K733 IonicContact OE1-NZ 2.85Å; E616-K733 PolarHBondContact OE1-NZ 3.03Å; E616-K733 WeakPolarHBondContact OE2-CD 3.28Å; E616-K733 VanDerWaalsContact OE2-CE 3.28Å; E616-K733 WeakPolarHBondContact OE2-CE 3.38Å; E616-K733 IonicContact OE2-NZ 3.47Å; E616-K733 PolarHBondContact OE2-NZ 3.3Å; L617-K733 HydrophobicContact CD2-CB 4.5Å; Y730-K733 HydrophobicContact CD1-CD 4Å; Y730-K733 HydrophobicContact CG-CD 4.4Å; Y730-K733 VanDerWaalsContact O-CB 3.26Å; Y730-K733 WeakPolarHBondContact O-CB 3.46Å; Y730-K733 WeakPolarHBondContact O-CG 3.46Å; Y730-K733 PolarHBondContact O-N 2.88Å; K733-V735 PolarHBondContact O-N 2.93Å; K733-Q736 WeakPolarHBondContact O-CB 3.36Å; K733-Q736 PolarHBondContact O-N 3.45Å; K733-R737 PolarHBondContact O-N 2.98Å |
| 734 | P | 95.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63 | -41.4 | 176.2 | -25.3 | 36.4 | 0 | 0 | 0 | 113.4 | Y613 L617 M652 I655 Y691 Y694 Q736 R737 I738 | Y613-P734 WeakPolarHBondContact OH-CA 3.25Å; L617-P734 HydrophobicContact CD2-CG 4.15Å; M652-P734 HydrophobicContact CE-CG 3.94Å; I655-P734 HydrophobicContact CD1-CB 4.08Å; Y691-P734 HydrophobicContact CD1-CB 4.19Å; Y691-P734 HydrophobicContact CE1-CB 3.82Å; Y691-P734 VanDerWaalsContact CE1-O 3.23Å; Y691-P734 WeakPolarHBondContact CE1-O 3.39Å; Y694-P734 HydrophobicContact CD1-CB 3.77Å; Y694-P734 HydrophobicContact CD1-CG 4.21Å; Y694-P734 HydrophobicContact CE1-CB 3.77Å; Y694-P734 HydrophobicContact CE1-CG 3.77Å; Y694-P734 HydrophobicContact CE2-CG 4.11Å; Y694-P734 HydrophobicContact CG-CB 4.21Å; P734-Q736 VanDerWaalsContact C-N 3.28Å; P734-Q736 PolarHBondContact O-N 3.14Å; P734-R737 PolarHBondContact O-N 3.35Å; P734-I738 WeakPolarHBondContact O-CG2 3.33Å; P734-I738 PolarHBondContact O-N 3.13Å; P734-I738 VanDerWaalsContact O-N 3.14Å |
| 735 | V | 90.6 | Very high | 92.6 | Very high | 45 Ų | 45 | 35.1 Ų | 35.1 | 27% | 0.273 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -63.8 | -36.9 | 176.3 | -169.1 | 0 | 0 | 0 | 0 | 110.8 | Y694 L732 K733 T739 | Y694-V735 HydrophobicContact CD1-CG2 4.26Å; Y694-V735 HydrophobicContact CE1-CG2 4.15Å; L732-V735 PolarHBondContact O-N 3.42Å; L732-V735 VanDerWaalsContact O-N 3.16Å; K733-V735 PolarHBondContact O-N 2.93Å; V735-T739 WeakPolarHBondContact O-CG2 3.46Å; V735-T739 PolarHBondContact O-N 3.27Å; V735-T739 PolarHBondContact O-OG1 3.16Å |
| 736 | Q | 87.9 | Confident | 92.7 | Very high | 96 Ų | 96 | 36.7 Ų | 36.7 | 45% | 0.449 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -68.9 | -42 | 174.1 | -66.3 | 168.8 | 2 | 0 | 0 | 112.2 | L732 K733 P734 T739 K740 | L732-Q736 WeakPolarHBondContact O-CG 3.42Å; L732-Q736 PolarHBondContact O-N 3.31Å; K733-Q736 WeakPolarHBondContact O-CB 3.36Å; K733-Q736 PolarHBondContact O-N 3.45Å; P734-Q736 VanDerWaalsContact C-N 3.28Å; P734-Q736 PolarHBondContact O-N 3.14Å; Q736-T739 PolarHBondContact O-N 3.2Å; Q736-T739 PolarHBondContact O-OG1 2.7Å; Q736-K740 VanDerWaalsContact O-CG 3.25Å; Q736-K740 WeakPolarHBondContact O-CG 3.34Å; Q736-K740 PolarHBondContact O-N 2.88Å |
| 737 | R | 96.5 | Very high | 92.9 | Very high | 16 Ų | 16 | 39.5 Ų | 39.5 | 6% | 0.06 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.9 | -49.7 | -177.6 | -169 | 75.3 | -175.9 | 150.1 | 0.1 | 112 | L606 T609 E610 Y613 K733 P734 T739 K740 Y741 | L606-R737 PolarHBondContact O-NH2 3.37Å; T609-R737 VanDerWaalsContact CB-NH1 3.31Å; T609-R737 PolarHBondContact O-NH1 3.35Å; T609-R737 PolarHBondContact OG1-NH1 3.26Å; E610-R737 VanDerWaalsContact CA-NH2 3.32Å; E610-R737 IonicContact OE2-CZ 2.78Å; E610-R737 IonicContact OE2-NE 3.13Å; E610-R737 PolarHBondContact OE2-NE 2.59Å; E610-R737 IonicContact OE2-NH2 3.16Å; E610-R737 PolarHBondContact OE2-NH2 3.48Å; Y613-R737 HydrophobicContact CD1-CB 4.25Å; Y613-R737 HydrophobicContact CD1-CG 3.65Å; Y613-R737 HydrophobicContact CD2-CB 4.06Å; Y613-R737 HydrophobicContact CD2-CG 4.26Å; Y613-R737 HydrophobicContact CE1-CB 3.93Å; Y613-R737 HydrophobicContact CE1-CG 3.59Å; Y613-R737 HydrophobicContact CE2-CB 3.72Å; Y613-R737 HydrophobicContact CE2-CG 4.21Å; Y613-R737 HydrophobicContact CG-CB 4.29Å; Y613-R737 HydrophobicContact CG-CG 3.98Å; K733-R737 PolarHBondContact O-N 2.98Å; P734-R737 PolarHBondContact O-N 3.35Å; R737-T739 PolarHBondContact O-N 3.21Å; R737-K740 WeakPolarHBondContact O-CB 3.41Å; R737-K740 PolarHBondContact O-N 2.99Å; R737-Y741 HydrophobicContact CG-CE1 4.27Å; R737-Y741 HydrophobicContact CG-CE2 3.83Å; R737-Y741 VanDerWaalsContact CG-OH 3.26Å; R737-Y741 WeakPolarHBondContact CG-OH 3.34Å; R737-Y741 PolarHBondContact NE-OH 3.15Å; R737-Y741 VanDerWaalsContact NE-OH 3.14Å; R737-Y741 PolarHBondContact O-N 3.08Å |
| 738 | I | 93.8 | Very high | 92.9 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.015 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.4 | -33.8 | -179.3 | -167.7 | 61.4 | 0 | 0 | 0 | 112.2 | Y691 P734 K740 Y741 I771 L772 | Y691-I738 HydrophobicContact CD1-CB 3.67Å; Y691-I738 HydrophobicContact CD1-CG1 4.26Å; Y691-I738 HydrophobicContact CD1-CG2 3.91Å; Y691-I738 HydrophobicContact CD2-CB 4.49Å; Y691-I738 HydrophobicContact CD2-CD1 4Å; Y691-I738 HydrophobicContact CD2-CG1 4.39Å; Y691-I738 HydrophobicContact CE1-CB 3.96Å; Y691-I738 HydrophobicContact CE1-CG2 4.45Å; Y691-I738 HydrophobicContact CE2-CD1 4.4Å; Y691-I738 HydrophobicContact CG-CB 3.95Å; Y691-I738 HydrophobicContact CG-CD1 4.14Å; Y691-I738 HydrophobicContact CG-CG1 4.01Å; Y691-I738 HydrophobicContact CG-CG2 4.42Å; P734-I738 WeakPolarHBondContact O-CG2 3.33Å; P734-I738 PolarHBondContact O-N 3.13Å; P734-I738 VanDerWaalsContact O-N 3.14Å; I738-K740 VanDerWaalsContact C-N 3.34Å; I738-K740 PolarHBondContact O-N 3.35Å; I738-Y741 HydrophobicContact CD1-CD2 4.12Å; I738-I771 HydrophobicContact CD1-CG2 4.39Å; I738-I771 HydrophobicContact CG1-CG2 4.44Å; I738-L772 HydrophobicContact CB-CD2 4.31Å; I738-L772 HydrophobicContact CG1-CD2 3.84Å; I738-L772 HydrophobicContact CG2-CD2 3.89Å |
| 739 | T | 89.1 | Confident | 93.1 | Very high | 49 Ų | 49 | 38.3 Ų | 38.3 | 30% | 0.301 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -76.5 | -15.2 | 175.8 | 52.3 | 0 | 0 | 0 | 0 | 114.4 | V735 Q736 R737 Q742 L772 | V735-T739 WeakPolarHBondContact O-CG2 3.46Å; V735-T739 PolarHBondContact O-N 3.27Å; V735-T739 PolarHBondContact O-OG1 3.16Å; Q736-T739 PolarHBondContact O-N 3.2Å; Q736-T739 PolarHBondContact O-OG1 2.7Å; R737-T739 PolarHBondContact O-N 3.21Å; T739-Q742 WeakPolarHBondContact O-CG 3.18Å; T739-Q742 PolarHBondContact O-NE2 3.39Å; T739-L772 HydrophobicContact CG2-CD2 3.62Å |
| 740 | K | 90.8 | Very high | 93.3 | Very high | 78 Ų | 78 | 41.8 Ų | 41.8 | 34% | 0.339 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -85 | -32.5 | 175.7 | -74.5 | -72.7 | -175.3 | 175.9 | 0 | 113.7 | Q736 R737 I738 Q742 L743 L744 | Q736-K740 VanDerWaalsContact O-CG 3.25Å; Q736-K740 WeakPolarHBondContact O-CG 3.34Å; Q736-K740 PolarHBondContact O-N 2.88Å; R737-K740 WeakPolarHBondContact O-CB 3.41Å; R737-K740 PolarHBondContact O-N 2.99Å; I738-K740 VanDerWaalsContact C-N 3.34Å; I738-K740 PolarHBondContact O-N 3.35Å; K740-Q742 VanDerWaalsContact C-N 3.32Å; K740-Q742 PolarHBondContact O-N 3.18Å; K740-L743 HydrophobicContact CD-CD1 4.22Å; K740-L743 WeakPolarHBondContact O-CA 3.21Å; K740-L743 WeakPolarHBondContact O-CB 3.3Å; K740-L743 PolarHBondContact O-N 2.93Å; K740-L744 PolarHBondContact O-N 3.17Å; K740-L744 VanDerWaalsContact O-N 3.13Å |
| 741 | Y | 97.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.8 | -39.9 | -177.8 | -66.5 | -50.4 | 0 | 0 | 0 | 113.7 | L606 E610 H659 F663 F681 R737 I738 L743 L744 L745 | L606-Y741 HydrophobicContact CD1-CD1 4.08Å; L606-Y741 HydrophobicContact CD1-CE1 4.07Å; E610-Y741 PolarHBondContact OE2-OH 3Å; H659-Y741 AromaticContact CE1-CZ 3.99Å; H659-Y741 PolarHBondContact CE1-OH 3.24Å; H659-Y741 PolarHBondContact ND1-OH 2.81Å; F663-Y741 HydrophobicContact CE1-CE1 4.02Å; F663-Y741 AromaticContact CE1-CZ 3.95Å; F681-Y741 AromaticContact CE1-CD1 3.7Å; F681-Y741 HydrophobicContact CE1-CD1 3.7Å; F681-Y741 HydrophobicContact CE1-CD2 4.19Å; F681-Y741 HydrophobicContact CE1-CE1 4.32Å; F681-Y741 AromaticContact CE1-CG 3.64Å; F681-Y741 HydrophobicContact CE1-CG 3.64Å; F681-Y741 AromaticContact CZ-CD1 3.62Å; F681-Y741 HydrophobicContact CZ-CD1 3.62Å; F681-Y741 HydrophobicContact CZ-CE1 4.21Å; F681-Y741 HydrophobicContact CZ-CG 4.03Å; R737-Y741 HydrophobicContact CG-CE1 4.27Å; R737-Y741 HydrophobicContact CG-CE2 3.83Å; R737-Y741 VanDerWaalsContact CG-OH 3.26Å; R737-Y741 WeakPolarHBondContact CG-OH 3.34Å; R737-Y741 PolarHBondContact NE-OH 3.15Å; R737-Y741 VanDerWaalsContact NE-OH 3.14Å; R737-Y741 PolarHBondContact O-N 3.08Å; I738-Y741 HydrophobicContact CD1-CD2 4.12Å; Y741-L743 PolarHBondContact O-N 3.29Å; Y741-L744 PolarHBondContact O-N 2.91Å; Y741-L745 WeakPolarHBondContact O-CB 3.33Å; Y741-L745 WeakPolarHBondContact O-CG 3.34Å; Y741-L745 PolarHBondContact O-N 2.86Å |
| 742 | Q | 92.9 | Very high | 93.1 | Very high | 44 Ų | 44 | 42 Ų | 42 | 21% | 0.206 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.7 | -26.3 | 173.9 | 59 | 110.9 | 9.1 | 0 | 0 | 114 | T739 K740 K746 L765 I768 L769 L772 | T739-Q742 WeakPolarHBondContact O-CG 3.18Å; T739-Q742 PolarHBondContact O-NE2 3.39Å; K740-Q742 VanDerWaalsContact C-N 3.32Å; K740-Q742 PolarHBondContact O-N 3.18Å; Q742-K746 WeakPolarHBondContact O-CB 3.4Å; Q742-K746 PolarHBondContact O-N 3.43Å; Q742-L765 HydrophobicContact CB-CD1 3.87Å; Q742-L765 WeakPolarHBondContact O-CD1 3.48Å; Q742-I768 HydrophobicContact CB-CG2 3.98Å; Q742-L769 HydrophobicContact CB-CD2 4.12Å; Q742-L769 HydrophobicContact CB-CG 4.3Å; Q742-L769 HydrophobicContact CG-CD2 4.38Å; Q742-L772 HydrophobicContact CB-CD1 4.29Å; Q742-L772 HydrophobicContact CG-CD1 3.69Å |
| 743 | L | 90.1 | Very high | 92.8 | Very high | 67 Ų | 67 | 46.9 Ų | 46.9 | 35% | 0.351 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -76.7 | -46.5 | 174.9 | -57.6 | -177.7 | 0 | 0 | 0 | 110.4 | K740 Y741 K746 E747 | K740-L743 HydrophobicContact CD-CD1 4.22Å; K740-L743 WeakPolarHBondContact O-CA 3.21Å; K740-L743 WeakPolarHBondContact O-CB 3.3Å; K740-L743 PolarHBondContact O-N 2.93Å; Y741-L743 PolarHBondContact O-N 3.29Å; L743-K746 PolarHBondContact O-N 3.46Å; L743-E747 WeakPolarHBondContact O-CB 3.39Å; L743-E747 PolarHBondContact O-N 2.95Å |
| 744 | L | 95.4 | Very high | 92 | Very high | 14 Ų | 14 | 49.1 Ų | 49.1 | 7% | 0.073 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.4 | -44.7 | 178.5 | -65.8 | 167.8 | 0 | 0 | 0 | 111.7 | V602 E605 L606 K740 Y741 K746 E747 M748 | V602-L744 HydrophobicContact CG1-CD2 4.39Å; V602-L744 WeakPolarHBondContact CG1-O 3.27Å; E605-L744 HydrophobicContact CG-CD2 4.2Å; L606-L744 HydrophobicContact CB-CD1 4.3Å; L606-L744 HydrophobicContact CD1-CD1 3.71Å; K740-L744 PolarHBondContact O-N 3.17Å; K740-L744 VanDerWaalsContact O-N 3.13Å; Y741-L744 PolarHBondContact O-N 2.91Å; L744-K746 PolarHBondContact O-N 3.24Å; L744-E747 PolarHBondContact O-N 3.48Å; L744-M748 WeakPolarHBondContact O-CB 3.43Å; L744-M748 PolarHBondContact O-N 3.08Å |
| 745 | L | 96.4 | Very high | 91.6 | Very high | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.016 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.1 | -40.2 | 174.2 | -75.9 | 168.7 | 0 | 0 | 0 | 112.4 | F681 Y741 M748 L749 L761 A764 L765 I768 | F681-L745 HydrophobicContact CD1-CD1 3.97Å; F681-L745 HydrophobicContact CD2-CD1 4.23Å; F681-L745 HydrophobicContact CD2-CD2 3.72Å; F681-L745 HydrophobicContact CD2-CG 4.3Å; F681-L745 HydrophobicContact CE1-CD1 4.1Å; F681-L745 HydrophobicContact CE2-CD1 4.37Å; F681-L745 HydrophobicContact CE2-CD2 3.86Å; F681-L745 HydrophobicContact CE2-CG 4.17Å; F681-L745 HydrophobicContact CG-CD1 4.02Å; F681-L745 HydrophobicContact CG-CD2 4.26Å; F681-L745 HydrophobicContact CZ-CD1 4.3Å; F681-L745 HydrophobicContact CZ-CG 4.32Å; Y741-L745 WeakPolarHBondContact O-CB 3.33Å; Y741-L745 WeakPolarHBondContact O-CG 3.34Å; Y741-L745 PolarHBondContact O-N 2.86Å; L745-M748 PolarHBondContact O-N 3.46Å; L745-L749 VanDerWaalsContact O-CB 3.24Å; L745-L749 WeakPolarHBondContact O-CB 3.28Å; L745-L749 PolarHBondContact O-N 3.49Å; L745-L761 HydrophobicContact CD2-CD2 3.78Å; L745-A764 HydrophobicContact CD1-CB 4.14Å; L745-A764 HydrophobicContact CD2-CB 4.18Å; L745-L765 HydrophobicContact CB-CB 4.24Å; L745-L765 HydrophobicContact CB-CD1 4.27Å; L745-I768 HydrophobicContact CD1-CB 4.47Å; L745-I768 HydrophobicContact CD1-CG1 3.79Å |
| 746 | K | 92.9 | Very high | 91.1 | Very high | 132 Ų | 132 | 55.1 Ų | 55.1 | 57% | 0.574 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -67.6 | -34.7 | 176.6 | -178.5 | 178 | 179.6 | 179 | 0 | 112.7 | Q742 L743 L744 K750 L765 | Q742-K746 WeakPolarHBondContact O-CB 3.4Å; Q742-K746 PolarHBondContact O-N 3.43Å; L743-K746 PolarHBondContact O-N 3.46Å; L744-K746 PolarHBondContact O-N 3.24Å; K746-K750 WeakPolarHBondContact O-CB 3.47Å; K746-K750 PolarHBondContact O-N 3.2Å; K746-L765 HydrophobicContact CB-CD1 4.09Å; K746-L765 HydrophobicContact CB-CD2 3.89Å; K746-L765 HydrophobicContact CG-CD2 4.27Å |
| 747 | E | 94.1 | Very high | 91 | Very high | 77 Ų | 77 | 50.6 Ų | 50.6 | 36% | 0.36 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -75.2 | -37.7 | 174.6 | -171.5 | 116.1 | -135.5 | 0 | 0 | 111.5 | V602 L743 L744 K750 Y751 | V602-E747 HydrophobicContact CG1-CB 4.45Å; V602-E747 HydrophobicContact CG2-CB 4.32Å; V602-E747 HydrophobicContact CG2-CG 3.66Å; L743-E747 WeakPolarHBondContact O-CB 3.39Å; L743-E747 PolarHBondContact O-N 2.95Å; L744-E747 PolarHBondContact O-N 3.48Å; E747-K750 WeakPolarHBondContact O-CB 3.39Å; E747-K750 PolarHBondContact O-N 2.84Å; E747-K750 IonicContact OE1-NZ 2.7Å; E747-K750 PolarHBondContact OE1-NZ 3.07Å; E747-Y751 HydrophobicContact CG-CD2 4.24Å; E747-Y751 HydrophobicContact CG-CE2 3.5Å; E747-Y751 WeakPolarHBondContact O-CD2 3.45Å; E747-Y751 PolarHBondContact O-N 3.21Å; E747-Y751 PolarHBondContact OE1-OH 2.92Å |
| 748 | M | 95.2 | Very high | 90.8 | Very high | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.6 | -48.3 | 170.7 | -167.9 | 65.4 | 80.1 | 0 | 0 | 111.1 | R599 V602 M603 P674 V677 L744 L745 K750 Y751 S752 L761 | R599-M748 HydrophobicContact CB-SD 3.92Å; R599-M748 HydrophobicContact CG-SD 4.08Å; V602-M748 HydrophobicContact CB-CE 3.87Å; V602-M748 HydrophobicContact CB-SD 4.32Å; V602-M748 HydrophobicContact CG1-CB 4.21Å; V602-M748 HydrophobicContact CG1-CE 3.9Å; M603-M748 HydrophobicContact CB-CE 4.04Å; M603-M748 HydrophobicContact SD-CE 4.15Å; P674-M748 HydrophobicContact CB-CE 3.72Å; P674-M748 HydrophobicContact CB-SD 4.02Å; V677-M748 HydrophobicContact CG1-CE 4.27Å; V677-M748 HydrophobicContact CG1-CG 4.34Å; L744-M748 WeakPolarHBondContact O-CB 3.43Å; L744-M748 PolarHBondContact O-N 3.08Å; L745-M748 PolarHBondContact O-N 3.46Å; M748-K750 VanDerWaalsContact C-N 3.29Å; M748-K750 PolarHBondContact O-N 2.69Å; M748-Y751 CarbonylContact O-C 3.49Å; M748-Y751 PolarHBondContact O-N 3.01Å; M748-Y751 VanDerWaalsContact O-N 3.08Å; M748-S752 WeakPolarHBondContact O-CB 3.4Å; M748-S752 PolarHBondContact O-N 2.93Å; M748-S752 PolarHBondContact O-OG 2.78Å; M748-L761 HydrophobicContact CB-CD1 4.39Å; M748-L761 HydrophobicContact CB-CD2 4.1Å; M748-L761 HydrophobicContact CG-CD1 3.78Å; M748-L761 HydrophobicContact CG-CD2 3.84Å; M748-L761 HydrophobicContact CG-CG 4.5Å |
| 749 | L | 94.4 | Very high | 90.7 | Very high | 22 Ų | 22 | 57 Ų | 57 | 12% | 0.115 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.5 | -34.2 | 177 | -180 | 61.3 | 0 | 0 | 0 | 112.8 | L745 Y751 S752 K753 A758 L761 Q762 L765 | L745-L749 VanDerWaalsContact O-CB 3.24Å; L745-L749 WeakPolarHBondContact O-CB 3.28Å; L745-L749 PolarHBondContact O-N 3.49Å; L749-Y751 PolarHBondContact O-N 2.78Å; L749-S752 PolarHBondContact O-N 3.43Å; L749-K753 WeakPolarHBondContact O-CG 3.29Å; L749-A758 VanDerWaalsContact CD1-O 3.3Å; L749-A758 WeakPolarHBondContact CD1-O 3.4Å; L749-L761 HydrophobicContact CB-CB 4.25Å; L749-L761 HydrophobicContact CD1-CB 3.99Å; L749-Q762 HydrophobicContact CD1-CB 4.29Å; L749-Q762 HydrophobicContact CD2-CB 3.99Å; L749-Q762 HydrophobicContact CD2-CG 4.43Å; L749-L765 HydrophobicContact CD2-CD2 3.96Å |
| 750 | K | 92.9 | Very high | 91 | Very high | 110 Ų | 110 | 56.4 Ų | 56.4 | 48% | 0.478 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.4 | -34.6 | 174.2 | 170.2 | -165 | 172.2 | -164.8 | 0 | 111.9 | K746 E747 M748 | K746-K750 WeakPolarHBondContact O-CB 3.47Å; K746-K750 PolarHBondContact O-N 3.2Å; E747-K750 WeakPolarHBondContact O-CB 3.39Å; E747-K750 PolarHBondContact O-N 2.84Å; E747-K750 IonicContact OE1-NZ 2.7Å; E747-K750 PolarHBondContact OE1-NZ 3.07Å; M748-K750 VanDerWaalsContact C-N 3.29Å; M748-K750 PolarHBondContact O-N 2.69Å |
| 751 | Y | 92.8 | Very high | 91.2 | Very high | 32 Ų | 32 | 52.7 Ų | 52.7 | 13% | 0.125 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -101.4 | -1.4 | -179.6 | -51.2 | -52.7 | 0 | 0 | 0 | 114.9 | L595 L598 R599 V602 E747 M748 L749 | L595-Y751 HydrophobicContact CD2-CD1 4.01Å; L598-Y751 HydrophobicContact CB-CD1 3.99Å; L598-Y751 HydrophobicContact CB-CD2 3.77Å; L598-Y751 HydrophobicContact CB-CE1 4.18Å; L598-Y751 HydrophobicContact CB-CE2 3.97Å; L598-Y751 HydrophobicContact CB-CG 3.79Å; L598-Y751 HydrophobicContact CD1-CD1 3.89Å; L598-Y751 HydrophobicContact CD1-CE1 3.74Å; L598-Y751 HydrophobicContact CG-CE1 4.4Å; R599-Y751 WeakPolarHBondContact CD-O 3.28Å; V602-Y751 HydrophobicContact CG2-CD2 3.94Å; V602-Y751 HydrophobicContact CG2-CE2 3.85Å; E747-Y751 HydrophobicContact CG-CD2 4.24Å; E747-Y751 HydrophobicContact CG-CE2 3.5Å; E747-Y751 WeakPolarHBondContact O-CD2 3.45Å; E747-Y751 PolarHBondContact O-N 3.21Å; E747-Y751 PolarHBondContact OE1-OH 2.92Å; M748-Y751 CarbonylContact O-C 3.49Å; M748-Y751 PolarHBondContact O-N 3.01Å; M748-Y751 VanDerWaalsContact O-N 3.08Å; L749-Y751 PolarHBondContact O-N 2.78Å |
| 752 | S | 92.4 | Very high | 91 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.297 | C | S | . | . | trans | -110.5 | 21.1 | -177.4 | -49.8 | 0 | 0 | 0 | 0 | 113.2 | R599 M748 L749 G754 C755 A758 | R599-S752 VanDerWaalsContact CD-OG 3.3Å; R599-S752 WeakPolarHBondContact CD-OG 3.4Å; M748-S752 WeakPolarHBondContact O-CB 3.4Å; M748-S752 PolarHBondContact O-N 2.93Å; M748-S752 PolarHBondContact O-OG 2.78Å; L749-S752 PolarHBondContact O-N 3.43Å; S752-G754 PolarHBondContact O-N 3.25Å; S752-C755 PolarHBondContact O-N 3.36Å; S752-A758 WeakPolarHBondContact O-CB 3.35Å | ||
| 753 | K | 83.9 | Confident | 91.1 | Very high | 167 Ų | 167 | 60.5 Ų | 60.5 | 73% | 0.726 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | 96.4 | -173 | -67.2 | -170.1 | 177.6 | -175.6 | 0 | 112 | L749 | L749-K753 WeakPolarHBondContact O-CG 3.29Š|
| 754 | G | 77.4 | Confident | 91.3 | Very high | 74 Ų | 74 | 57.3 Ų | 57.3 | 76% | 0.763 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 114.2 | -1.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | S752 | S752-G754 PolarHBondContact O-N 3.25Š|
| 755 | C | 85.8 | Confident | 91.2 | Very high | 20 Ų | 20 | 57.1 Ų | 57.1 | 14% | 0.135 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -80.4 | 154.5 | 168.6 | -46.6 | 0 | 0 | 0 | 0 | 110.6 | E675 S752 G757 A758 | E675-C755 HydrophobicContact CB-CB 3.93Å; E675-C755 HydrophobicContact CG-CB 4.04Å; S752-C755 PolarHBondContact O-N 3.36Å; C755-G757 PolarHBondContact O-N 3.31Å; C755-A758 VanDerWaalsContact O-CB 3.27Å; C755-A758 WeakPolarHBondContact O-CB 3.3Å; C755-A758 PolarHBondContact O-N 3.18Å |
| 756 | D | 80.8 | Confident | 90.9 | Very high | 152 Ų | 152 | 60.8 Ų | 60.8 | 81% | 0.813 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -11.1 | -178 | -65.8 | -23 | 0 | 0 | 0 | 115.3 | R679 | R679-D756 PolarHBondContact NH2-O 3.19Š|
| 757 | G | 86.8 | Confident | 90.8 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 4.5 | 174 | 0 | 0 | 0 | 0 | 0 | 115.1 | E675 C755 D759 D760 L761 | E675-G757 WeakPolarHBondContact O-CA 3.27Å; C755-G757 PolarHBondContact O-N 3.31Å; G757-D759 PolarHBondContact O-N 3.16Å; G757-D760 PolarHBondContact O-N 3.24Å; G757-L761 WeakPolarHBondContact O-CB 3.28Å; G757-L761 WeakPolarHBondContact O-CG 3.44Å; G757-L761 PolarHBondContact O-N 3Å |
| 758 | A | 90.8 | Very high | 90.7 | Very high | 17 Ų | 17 | 52.5 Ų | 52.5 | 14% | 0.14 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.5 | -42 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113 | L749 S752 C755 Q762 | L749-A758 VanDerWaalsContact CD1-O 3.3Å; L749-A758 WeakPolarHBondContact CD1-O 3.4Å; S752-A758 WeakPolarHBondContact O-CB 3.35Å; C755-A758 VanDerWaalsContact O-CB 3.27Å; C755-A758 WeakPolarHBondContact O-CB 3.3Å; C755-A758 PolarHBondContact O-N 3.18Å; A758-Q762 WeakPolarHBondContact O-CB 3.38Å; A758-Q762 PolarHBondContact O-N 2.91Å |
| 759 | D | 92.3 | Very high | 90.2 | Very high | 138 Ų | 138 | 56.1 Ų | 56.1 | 74% | 0.738 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -72.6 | -41.3 | 178.6 | -68.9 | -31.6 | 0 | 0 | 0 | 111.2 | G757 L761 Q762 E763 | G757-D759 PolarHBondContact O-N 3.16Å; D759-L761 VanDerWaalsContact C-N 3.3Å; D759-L761 PolarHBondContact O-N 3.25Å; D759-Q762 PolarHBondContact O-N 3.2Å; D759-Q762 VanDerWaalsContact O-N 3.09Å; D759-E763 PolarHBondContact O-N 3.48Å |
| 760 | D | 94.9 | Very high | 89.8 | Confident | 35 Ų | 35 | 56.8 Ų | 56.8 | 19% | 0.187 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57 | -43 | 173.2 | -62.7 | -63.4 | 0 | 0 | 0 | 111.7 | R679 L682 G757 E763 A764 | R679-D760 HydrophobicContact CG-CB 4.04Å; R679-D760 IonicContact CZ-OD2 3.25Å; R679-D760 IonicContact NE-OD1 3.15Å; R679-D760 IonicContact NE-OD2 3.3Å; R679-D760 PolarHBondContact NE-OD2 2.81Å; R679-D760 IonicContact NH2-OD2 2.79Å; R679-D760 PolarHBondContact NH2-OD2 3.04Å; L682-D760 HydrophobicContact CD1-CB 4.28Å; G757-D760 PolarHBondContact O-N 3.24Å; D760-E763 PolarHBondContact O-N 3.48Å; D760-A764 WeakPolarHBondContact O-CB 2.95Å; D760-A764 PolarHBondContact O-N 3.45Å |
| 761 | L | 95.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.6 | -38.3 | 175.6 | -78.4 | 170.7 | 0 | 0 | 0 | 112.4 | E675 V677 L745 M748 L749 G757 D759 L765 | E675-L761 VanDerWaalsContact O-CD1 3.27Å; E675-L761 WeakPolarHBondContact O-CD1 3.48Å; E675-L761 WeakPolarHBondContact O-CG 3.39Å; V677-L761 HydrophobicContact CG1-CD2 3.95Å; L745-L761 HydrophobicContact CD2-CD2 3.78Å; M748-L761 HydrophobicContact CB-CD1 4.39Å; M748-L761 HydrophobicContact CB-CD2 4.1Å; M748-L761 HydrophobicContact CG-CD1 3.78Å; M748-L761 HydrophobicContact CG-CD2 3.84Å; M748-L761 HydrophobicContact CG-CG 4.5Å; L749-L761 HydrophobicContact CB-CB 4.25Å; L749-L761 HydrophobicContact CD1-CB 3.99Å; G757-L761 WeakPolarHBondContact O-CB 3.28Å; G757-L761 WeakPolarHBondContact O-CG 3.44Å; G757-L761 PolarHBondContact O-N 3Å; D759-L761 VanDerWaalsContact C-N 3.3Å; D759-L761 PolarHBondContact O-N 3.25Å; L761-L765 WeakPolarHBondContact O-CB 3.25Å; L761-L765 PolarHBondContact O-N 2.83Å |
| 762 | Q | 94.1 | Very high | 89.1 | Confident | 91 Ų | 91 | 51.7 Ų | 51.7 | 43% | 0.425 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -71.6 | -36.2 | 177.8 | -178.5 | 58.1 | 97.1 | 0 | 0 | 111.8 | L749 A758 D759 T766 | L749-Q762 HydrophobicContact CD1-CB 4.29Å; L749-Q762 HydrophobicContact CD2-CB 3.99Å; L749-Q762 HydrophobicContact CD2-CG 4.43Å; A758-Q762 WeakPolarHBondContact O-CB 3.38Å; A758-Q762 PolarHBondContact O-N 2.91Å; D759-Q762 PolarHBondContact O-N 3.2Å; D759-Q762 VanDerWaalsContact O-N 3.09Å; Q762-T766 PolarHBondContact NE2-OG1 2.85Å; Q762-T766 WeakPolarHBondContact O-CB 3.45Å; Q762-T766 PolarHBondContact O-N 2.99Å; Q762-T766 VanDerWaalsContact O-N 3.07Å; Q762-T766 PolarHBondContact O-OG1 2.85Å |
| 763 | E | 93.1 | Very high | 88.7 | Confident | 117 Ų | 117 | 55.7 Ų | 55.7 | 55% | 0.547 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -71.6 | -43.4 | 173.6 | -165.6 | 178.1 | 166.1 | 0 | 0 | 111.5 | L682 D759 D760 L765 T766 S767 | L682-E763 HydrophobicContact CD1-CB 4.36Å; L682-E763 HydrophobicContact CD2-CB 4.14Å; L682-E763 HydrophobicContact CD2-CG 3.84Å; D759-E763 PolarHBondContact O-N 3.48Å; D760-E763 PolarHBondContact O-N 3.48Å; E763-L765 PolarHBondContact O-N 3.46Å; E763-T766 PolarHBondContact O-N 3.4Å; E763-S767 WeakPolarHBondContact O-CB 3.46Å; E763-S767 PolarHBondContact O-N 2.83Å; E763-S767 PolarHBondContact O-OG 2.87Å |
| 764 | A | 94.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.5 | -46.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F681 L682 L745 D760 T766 S767 I768 | F681-A764 HydrophobicContact CB-CB 3.84Å; L682-A764 HydrophobicContact CD2-CB 4.44Å; L682-A764 HydrophobicContact CG-CB 4.2Å; L745-A764 HydrophobicContact CD1-CB 4.14Å; L745-A764 HydrophobicContact CD2-CB 4.18Å; D760-A764 WeakPolarHBondContact O-CB 2.95Å; D760-A764 PolarHBondContact O-N 3.45Å; A764-T766 PolarHBondContact O-N 3.27Å; A764-S767 PolarHBondContact O-N 3.02Å; A764-I768 WeakPolarHBondContact O-CG1 3.25Å; A764-I768 PolarHBondContact O-N 2.85Å |
| 765 | L | 94.1 | Very high | 88.5 | Confident | 11 Ų | 11 | 46.1 Ų | 46.1 | 6% | 0.058 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.4 | -45.6 | 175.2 | 174.9 | 58.8 | 0 | 0 | 0 | 111.6 | Q742 L745 K746 L749 L761 E763 S767 L769 | Q742-L765 HydrophobicContact CB-CD1 3.87Å; Q742-L765 WeakPolarHBondContact O-CD1 3.48Å; L745-L765 HydrophobicContact CB-CB 4.24Å; L745-L765 HydrophobicContact CB-CD1 4.27Å; K746-L765 HydrophobicContact CB-CD1 4.09Å; K746-L765 HydrophobicContact CB-CD2 3.89Å; K746-L765 HydrophobicContact CG-CD2 4.27Å; L749-L765 HydrophobicContact CD2-CD2 3.96Å; L761-L765 WeakPolarHBondContact O-CB 3.25Å; L761-L765 PolarHBondContact O-N 2.83Å; E763-L765 PolarHBondContact O-N 3.46Å; L765-S767 VanDerWaalsContact C-N 3.28Å; L765-S767 PolarHBondContact O-N 3.38Å; L765-L769 HydrophobicContact CD1-CD1 4.05Å; L765-L769 HydrophobicContact CD1-CG 4.33Å; L765-L769 HydrophobicContact CG-CD1 4.11Å; L765-L769 WeakPolarHBondContact O-CB 3.24Å; L765-L769 VanDerWaalsContact O-CG 3.27Å; L765-L769 WeakPolarHBondContact O-CG 3.34Å; L765-L769 PolarHBondContact O-N 2.81Å |
| 766 | T | 89.9 | Confident | 88.3 | Confident | 79 Ų | 79 | 48.7 Ų | 48.7 | 49% | 0.485 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.5 | -38.3 | 177.8 | -56.4 | 0 | 0 | 0 | 0 | 111.3 | Q762 E763 A764 L769 G770 | Q762-T766 PolarHBondContact NE2-OG1 2.85Å; Q762-T766 WeakPolarHBondContact O-CB 3.45Å; Q762-T766 PolarHBondContact O-N 2.99Å; Q762-T766 VanDerWaalsContact O-N 3.07Å; Q762-T766 PolarHBondContact O-OG1 2.85Å; E763-T766 PolarHBondContact O-N 3.4Å; A764-T766 PolarHBondContact O-N 3.27Å; T766-L769 PolarHBondContact O-N 3.41Å; T766-G770 PolarHBondContact O-N 3.26Å |
| 767 | S | 91.2 | Very high | 88.3 | Confident | 35 Ų | 35 | 41.8 Ų | 41.8 | 25% | 0.245 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -74.3 | -40.2 | -178.3 | -58.8 | 0 | 0 | 0 | 0 | 112.5 | M685 E763 A764 L765 G770 I771 | M685-S767 VanDerWaalsContact CE-CB 3.46Å; M685-S767 WeakPolarHBondContact SD-CB 3.46Å; E763-S767 WeakPolarHBondContact O-CB 3.46Å; E763-S767 PolarHBondContact O-N 2.83Å; E763-S767 PolarHBondContact O-OG 2.87Å; A764-S767 PolarHBondContact O-N 3.02Å; L765-S767 VanDerWaalsContact C-N 3.28Å; L765-S767 PolarHBondContact O-N 3.38Å; S767-G770 CarbonylContact O-C 3.51Å; S767-G770 WeakPolarHBondContact O-CA 3.32Å; S767-G770 PolarHBondContact O-N 2.79Å; S767-G770 VanDerWaalsContact O-N 3.08Å; S767-I771 PolarHBondContact O-N 2.78Å |
| 768 | I | 91.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.3 | -41.4 | 170 | -65.6 | -54.9 | 0 | 0 | 0 | 111.4 | F681 M685 L688 Q742 L745 A764 G770 I771 L772 | F681-I768 HydrophobicContact CD1-CD1 3.98Å; F681-I768 HydrophobicContact CD1-CG1 4.06Å; F681-I768 HydrophobicContact CE1-CD1 4.45Å; F681-I768 HydrophobicContact CE1-CG1 4.49Å; M685-I768 HydrophobicContact CE-CD1 3.8Å; M685-I768 HydrophobicContact CE-CG1 4Å; M685-I768 HydrophobicContact SD-CD1 4.15Å; L688-I768 HydrophobicContact CD1-CD1 3.83Å; Q742-I768 HydrophobicContact CB-CG2 3.98Å; L745-I768 HydrophobicContact CD1-CB 4.47Å; L745-I768 HydrophobicContact CD1-CG1 3.79Å; A764-I768 WeakPolarHBondContact O-CG1 3.25Å; A764-I768 PolarHBondContact O-N 2.85Å; I768-G770 PolarHBondContact O-N 3.25Å; I768-I771 HydrophobicContact CD1-CD1 4.3Å; I768-I771 PolarHBondContact O-N 2.96Å; I768-L772 HydrophobicContact CG2-CD1 4.09Å; I768-L772 HydrophobicContact CG2-CG 4.44Å; I768-L772 WeakPolarHBondContact O-CG 3.41Å; I768-L772 PolarHBondContact O-N 3.28Å |
| 769 | L | 86 | Confident | 86.9 | Confident | 78 Ų | 78 | 44.4 Ų | 44.4 | 41% | 0.408 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.4 | -34.6 | 171.7 | -73.1 | 168.5 | 0 | 0 | 0 | 111.6 | Q742 L765 T766 K773 | Q742-L769 HydrophobicContact CB-CD2 4.12Å; Q742-L769 HydrophobicContact CB-CG 4.3Å; Q742-L769 HydrophobicContact CG-CD2 4.38Å; L765-L769 HydrophobicContact CD1-CD1 4.05Å; L765-L769 HydrophobicContact CD1-CG 4.33Å; L765-L769 HydrophobicContact CG-CD1 4.11Å; L765-L769 WeakPolarHBondContact O-CB 3.24Å; L765-L769 VanDerWaalsContact O-CG 3.27Å; L765-L769 WeakPolarHBondContact O-CG 3.34Å; L765-L769 PolarHBondContact O-N 2.81Å; T766-L769 PolarHBondContact O-N 3.41Å; L769-K773 VanDerWaalsContact O-CB 3.23Å; L769-K773 WeakPolarHBondContact O-CB 3.49Å; L769-K773 PolarHBondContact O-N 2.92Å |
| 770 | G | 85.9 | Confident | 86.4 | Confident | 37 Ų | 37 | 39.9 Ų | 39.9 | 38% | 0.381 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.3 | -46.3 | 171 | 0 | 0 | 0 | 0 | 0 | 113.4 | T766 S767 I768 K773 A774 | T766-G770 PolarHBondContact O-N 3.26Å; S767-G770 CarbonylContact O-C 3.51Å; S767-G770 WeakPolarHBondContact O-CA 3.32Å; S767-G770 PolarHBondContact O-N 2.79Å; S767-G770 VanDerWaalsContact O-N 3.08Å; I768-G770 PolarHBondContact O-N 3.25Å; G770-K773 PolarHBondContact O-N 3.33Å; G770-A774 WeakPolarHBondContact O-CB 3.41Å; G770-A774 PolarHBondContact O-N 3.37Å |
| 771 | I | 85.8 | Confident | 85.7 | Confident | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62 | -51.1 | 174.4 | -64 | 178.7 | 0 | 0 | 0 | 110.1 | M685 L688 I738 S767 I768 K773 A774 V775 | M685-I771 HydrophobicContact SD-CD1 3.99Å; L688-I771 HydrophobicContact CB-CD1 3.78Å; I738-I771 HydrophobicContact CD1-CG2 4.39Å; I738-I771 HydrophobicContact CG1-CG2 4.44Å; S767-I771 PolarHBondContact O-N 2.78Å; I768-I771 HydrophobicContact CD1-CD1 4.3Å; I768-I771 PolarHBondContact O-N 2.96Å; I771-K773 VanDerWaalsContact C-N 3.27Å; I771-K773 PolarHBondContact O-N 2.7Å; I771-A774 PolarHBondContact O-N 2.73Å; I771-A774 VanDerWaalsContact O-N 3.09Å; I771-V775 HydrophobicContact CG2-CG2 4.24Å; I771-V775 WeakPolarHBondContact O-CB 3.39Å; I771-V775 VanDerWaalsContact O-CG2 3.32Å; I771-V775 WeakPolarHBondContact O-CG2 3.49Å; I771-V775 PolarHBondContact O-N 3.47Å |
| 772 | L | 84.9 | Confident | 84.7 | Confident | 29 Ų | 29 | 43.9 Ų | 43.9 | 15% | 0.152 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.4 | -38.3 | -179.9 | -71.4 | 173.6 | 0 | 0 | 0 | 112.7 | I738 T739 Q742 I768 N776 | I738-L772 HydrophobicContact CB-CD2 4.31Å; I738-L772 HydrophobicContact CG1-CD2 3.84Å; I738-L772 HydrophobicContact CG2-CD2 3.89Å; T739-L772 HydrophobicContact CG2-CD2 3.62Å; Q742-L772 HydrophobicContact CB-CD1 4.29Å; Q742-L772 HydrophobicContact CG-CD1 3.69Å; I768-L772 HydrophobicContact CG2-CD1 4.09Å; I768-L772 HydrophobicContact CG2-CG 4.44Å; I768-L772 WeakPolarHBondContact O-CG 3.41Å; I768-L772 PolarHBondContact O-N 3.28Å; L772-N776 WeakPolarHBondContact O-CB 3.32Å; L772-N776 PolarHBondContact O-N 3.44Å |
| 773 | K | 83.9 | Confident | 84.1 | Confident | 85 Ų | 85 | 40.8 Ų | 40.8 | 37% | 0.37 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -67.1 | -46.1 | 173 | -177 | -171.8 | 167.2 | -59.7 | 0 | 111.6 | L769 G770 I771 V775 N776 D777 L798 | L769-K773 VanDerWaalsContact O-CB 3.23Å; L769-K773 WeakPolarHBondContact O-CB 3.49Å; L769-K773 PolarHBondContact O-N 2.92Å; G770-K773 PolarHBondContact O-N 3.33Å; I771-K773 VanDerWaalsContact C-N 3.27Å; I771-K773 PolarHBondContact O-N 2.7Å; K773-V775 VanDerWaalsContact C-N 3.33Å; K773-V775 PolarHBondContact O-N 3.38Å; K773-N776 PolarHBondContact O-N 3.19Å; K773-D777 IonicContact NZ-OD2 2.74Å; K773-D777 PolarHBondContact NZ-OD2 2.91Å; K773-D777 WeakPolarHBondContact O-CB 3.33Å; K773-D777 PolarHBondContact O-N 3.4Å; K773-L798 PolarHBondContact NZ-O 2.88Å |
| 774 | A | 79.4 | Confident | 83.7 | Confident | 25 Ų | 25 | 35.9 Ų | 35.9 | 21% | 0.207 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.9 | -45.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | G770 I771 D777 S778 | G770-A774 WeakPolarHBondContact O-CB 3.41Å; G770-A774 PolarHBondContact O-N 3.37Å; I771-A774 PolarHBondContact O-N 2.73Å; I771-A774 VanDerWaalsContact O-N 3.09Å; A774-D777 PolarHBondContact O-N 2.98Å; A774-S778 VanDerWaalsContact O-CB 3.28Å; A774-S778 WeakPolarHBondContact O-CB 3.28Å; A774-S778 PolarHBondContact O-N 3.5Å; A774-S778 PolarHBondContact O-OG 3.19Å |
| 775 | V | 78.3 | Confident | 83.1 | Confident | 14 Ų | 14 | 38.8 Ų | 38.8 | 9% | 0.085 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.9 | -41.8 | 175.3 | 172.5 | 0 | 0 | 0 | 0 | 112.5 | E692 C695 I771 K773 S778 M779 | E692-V775 HydrophobicContact CB-CG2 3.98Å; E692-V775 HydrophobicContact CG-CG2 4.43Å; C695-V775 HydrophobicContact CB-CG1 3.39Å; I771-V775 HydrophobicContact CG2-CG2 4.24Å; I771-V775 WeakPolarHBondContact O-CB 3.39Å; I771-V775 VanDerWaalsContact O-CG2 3.32Å; I771-V775 WeakPolarHBondContact O-CG2 3.49Å; I771-V775 PolarHBondContact O-N 3.47Å; K773-V775 VanDerWaalsContact C-N 3.33Å; K773-V775 PolarHBondContact O-N 3.38Å; V775-S778 PolarHBondContact O-OG 3.29Å; V775-M779 WeakPolarHBondContact O-CG 3.42Å; V775-M779 PolarHBondContact O-N 2.85Å |
| 776 | N | 81.1 | Confident | 82.5 | Confident | 74 Ų | 74 | 41.3 Ų | 41.3 | 40% | 0.396 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65 | -45.8 | 175.2 | -176.4 | 94.6 | 0 | 0 | 0 | 111.3 | L772 K773 S778 M779 H780 Q800 | L772-N776 WeakPolarHBondContact O-CB 3.32Å; L772-N776 PolarHBondContact O-N 3.44Å; K773-N776 PolarHBondContact O-N 3.19Å; N776-S778 VanDerWaalsContact C-N 3.34Å; N776-S778 PolarHBondContact O-N 3.45Å; N776-M779 WeakPolarHBondContact O-CB 3.45Å; N776-M779 PolarHBondContact O-N 3.16Å; N776-H780 PolarHBondContact ND2-CD2 3.14Å; N776-H780 PolarHBondContact ND2-NE2 2.72Å; N776-H780 PolarHBondContact O-CD2 3.09Å; N776-H780 PolarHBondContact O-N 2.89Å; N776-Q800 PolarHBondContact ND2-NE2 2.74Å |
| 777 | D | 80.4 | Confident | 82.3 | Confident | 7 Ų | 7 | 39.6 Ų | 39.6 | 4% | 0.037 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.5 | -37.4 | -178 | -69 | -1.8 | 0 | 0 | 0 | 111.5 | K773 A774 H780 L781 L797 Q800 | K773-D777 IonicContact NZ-OD2 2.74Å; K773-D777 PolarHBondContact NZ-OD2 2.91Å; K773-D777 WeakPolarHBondContact O-CB 3.33Å; K773-D777 PolarHBondContact O-N 3.4Å; A774-D777 PolarHBondContact O-N 2.98Å; D777-H780 PolarHBondContact O-N 3.47Å; D777-L781 PolarHBondContact O-N 2.89Å; D777-L797 HydrophobicContact CB-CD2 3.81Å; D777-L797 HydrophobicContact CB-CG 4.22Å; D777-L797 WeakPolarHBondContact O-CD2 3.32Å; D777-Q800 HydrophobicContact CB-CG 3.96Å; D777-Q800 WeakPolarHBondContact OD1-CG 3.46Å; D777-Q800 PolarHBondContact OD1-NE2 2.69Å |
| 778 | S | 73.7 | Confident | 81.6 | Confident | 6 Ų | 6 | 47.3 Ų | 47.3 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69.4 | -31.9 | 177.8 | 84.3 | 0 | 0 | 0 | 0 | 112.7 | H696 A774 V775 N776 H780 L781 I782 | H696-S778 VanDerWaalsContact CE1-CB 3.42Å; H696-S778 WeakPolarHBondContact CE1-CB 3.37Å; H696-S778 PolarHBondContact CE1-OG 3.45Å; H696-S778 WeakPolarHBondContact NE2-CB 3.29Å; H696-S778 PolarHBondContact NE2-OG 3.24Å; A774-S778 VanDerWaalsContact O-CB 3.28Å; A774-S778 WeakPolarHBondContact O-CB 3.28Å; A774-S778 PolarHBondContact O-N 3.5Å; A774-S778 PolarHBondContact O-OG 3.19Å; V775-S778 PolarHBondContact O-OG 3.29Å; N776-S778 VanDerWaalsContact C-N 3.34Å; N776-S778 PolarHBondContact O-N 3.45Å; S778-H780 VanDerWaalsContact C-N 3.29Å; S778-H780 PolarHBondContact O-N 3.32Å; S778-L781 WeakPolarHBondContact O-CB 3.49Å; S778-L781 PolarHBondContact O-N 2.7Å; S778-L781 VanDerWaalsContact O-N 3.11Å; S778-I782 PolarHBondContact O-N 3.41Å |
| 779 | M | 75 | Confident | 80.8 | Confident | 67 Ų | 67 | 49.3 Ų | 49.3 | 33% | 0.33 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.2 | -33.2 | 170.6 | -73.4 | -76.5 | -61.9 | 0 | 0 | 112.6 | C695 P699 V775 N776 I782 | C695-M779 VanDerWaalsContact O-SD 3.36Å; P699-M779 HydrophobicContact CG-CE 3.58Å; P699-M779 HydrophobicContact CG-SD 4.17Å; V775-M779 WeakPolarHBondContact O-CG 3.42Å; V775-M779 PolarHBondContact O-N 2.85Å; N776-M779 WeakPolarHBondContact O-CB 3.45Å; N776-M779 PolarHBondContact O-N 3.16Å; M779-I782 WeakPolarHBondContact O-CG1 3.38Å; M779-I782 HydrophobicContact SD-CD1 4.35Å |
| 780 | H | 80.8 | Confident | 80.2 | Confident | 42 Ų | 42 | 49.4 Ų | 49.4 | 19% | 0.194 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -76.3 | -31.3 | 170.6 | -64.1 | -72.8 | 0 | 0 | 0 | 112.2 | N776 D777 S778 A783 Q800 F830 Y855 | N776-H780 PolarHBondContact ND2-CD2 3.14Å; N776-H780 PolarHBondContact ND2-NE2 2.72Å; N776-H780 PolarHBondContact O-CD2 3.09Å; N776-H780 PolarHBondContact O-N 2.89Å; D777-H780 PolarHBondContact O-N 3.47Å; S778-H780 VanDerWaalsContact C-N 3.29Å; S778-H780 PolarHBondContact O-N 3.32Å; H780-A783 PolarHBondContact O-N 2.98Å; H780-Q800 HydrophobicContact CB-CG 4.12Å; H780-Q800 VanDerWaalsContact CD2-CD 3.46Å; H780-Q800 PolarHBondContact CD2-NE2 3.04Å; H780-F830 HydrophobicContact CB-CE1 3.78Å; H780-F830 HydrophobicContact CB-CZ 4.18Å; H780-Y855 HydrophobicContact CB-CE2 4.03Å; H780-Y855 AromaticContact ND1-CE2 3.68Å; H780-Y855 AromaticContact ND1-CZ 3.67Å; H780-Y855 PolarHBondContact ND1-OH 2.96Å |
| 781 | L | 80.7 | Confident | 79.9 | Confident | 29 Ų | 29 | 50.2 Ų | 50.2 | 15% | 0.152 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.6 | -46.4 | 179 | -175.1 | 61.7 | 0 | 0 | 0 | 112.4 | D777 S778 A783 I784 M791 L797 | D777-L781 PolarHBondContact O-N 2.89Å; S778-L781 WeakPolarHBondContact O-CB 3.49Å; S778-L781 PolarHBondContact O-N 2.7Å; S778-L781 VanDerWaalsContact O-N 3.11Å; L781-A783 PolarHBondContact O-N 2.95Å; L781-I784 HydrophobicContact CD1-CD1 3.81Å; L781-I784 WeakPolarHBondContact O-CB 3.49Å; L781-I784 WeakPolarHBondContact O-CG1 3.27Å; L781-I784 PolarHBondContact O-N 2.93Å; L781-I784 VanDerWaalsContact O-N 3.09Å; L781-M791 HydrophobicContact CD1-SD 3.86Å; L781-M791 HydrophobicContact CG-SD 3.97Å; L781-L797 HydrophobicContact CB-CD2 3.87Å; L781-L797 HydrophobicContact CD1-CD2 4.36Å; L781-L797 HydrophobicContact CD2-CB 4.4Å; L781-L797 HydrophobicContact CD2-CD2 4.15Å; L781-L797 HydrophobicContact CG-CD2 4.35Å |
| 782 | I | 75.1 | Confident | 79.3 | Confident | 90 Ų | 90 | 54.3 Ų | 54.3 | 46% | 0.462 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -14.1 | 176.8 | 61.6 | 168.2 | 0 | 0 | 0 | 113.6 | S778 M779 I784 | S778-I782 PolarHBondContact O-N 3.41Å; M779-I782 WeakPolarHBondContact O-CG1 3.38Å; M779-I782 HydrophobicContact SD-CD1 4.35Å; I782-I784 VanDerWaalsContact C-N 3.33Å |
| 783 | A | 81.2 | Confident | 79.2 | Confident | 26 Ų | 26 | 58.8 Ų | 58.8 | 22% | 0.215 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 2.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | H780 L781 S854 Y855 | H780-A783 PolarHBondContact O-N 2.98Å; L781-A783 PolarHBondContact O-N 2.95Å; A783-S854 CarbonylContact O-C 3.59Å; A783-S854 WeakPolarHBondContact O-CA 3.37Å; A783-Y855 HydrophobicContact CB-CD2 3.84Å; A783-Y855 HydrophobicContact CB-CE2 4.15Å; A783-Y855 PolarHBondContact O-N 3.36Å |
| 784 | I | 84.6 | Confident | 79.3 | Confident | 14 Ų | 14 | 55.8 Ų | 55.8 | 7% | 0.072 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 126.5 | 173.2 | -59.6 | 179 | 0 | 0 | 0 | 110.7 | L781 I782 F787 M791 F830 L837 Y855 F857 | L781-I784 HydrophobicContact CD1-CD1 3.81Å; L781-I784 WeakPolarHBondContact O-CB 3.49Å; L781-I784 WeakPolarHBondContact O-CG1 3.27Å; L781-I784 PolarHBondContact O-N 2.93Å; L781-I784 VanDerWaalsContact O-N 3.09Å; I782-I784 VanDerWaalsContact C-N 3.33Å; I784-F787 HydrophobicContact CG2-CB 4.21Å; I784-M791 HydrophobicContact CB-CE 3.86Å; I784-M791 HydrophobicContact CG2-CE 4.18Å; I784-F830 HydrophobicContact CD1-CD1 4.06Å; I784-F830 HydrophobicContact CD1-CD2 3.58Å; I784-F830 HydrophobicContact CD1-CE1 3.96Å; I784-F830 HydrophobicContact CD1-CE2 3.45Å; I784-F830 VanDerWaalsContact CD1-CE2 3.45Å; I784-F830 HydrophobicContact CD1-CG 3.88Å; I784-F830 HydrophobicContact CD1-CZ 3.66Å; I784-F830 HydrophobicContact CG1-CD2 4.31Å; I784-F830 HydrophobicContact CG1-CE1 4.26Å; I784-F830 HydrophobicContact CG1-CE2 3.66Å; I784-F830 HydrophobicContact CG1-CZ 3.63Å; I784-L837 HydrophobicContact CD1-CD1 4.04Å; I784-Y855 CarbonylContact C-O 3.55Å; I784-Y855 VanDerWaalsContact CA-O 3.26Å; I784-Y855 WeakPolarHBondContact CA-O 3.43Å; I784-F857 HydrophobicContact CG2-CB 4.19Å |
| 785 | T | 82.4 | Confident | 79.6 | Confident | 61 Ų | 61 | 55.3 Ų | 55.3 | 37% | 0.374 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 147.4 | 177.9 | 57.4 | 0 | 0 | 0 | 0 | 111.6 | Y855 S856 F857 | T785-Y855 PolarHBondContact N-O 2.66Å; T785-S856 WeakPolarHBondContact O-CA 3.41Å; T785-F857 WeakPolarHBondContact O-CB 3.47Å; T785-F857 PolarHBondContact O-N 3.1Å |
| 786 | G | 80.8 | Confident | 79.7 | Confident | 65 Ų | 65 | 61 Ų | 61 | 67% | 0.67 | 35% | 0.345 | S | S | * | . | S | Bend | trans | 74.1 | 24.7 | 177 | 0 | 0 | 0 | 0 | 0 | 115.7 | F857 | G786-F857 WeakPolarHBondContact O-CD1 3.24Š|
| 787 | F | 85.4 | Confident | 80 | Confident | 42 Ų | 42 | 58.5 Ų | 58.5 | 18% | 0.184 | 33% | 0.331 | C | S | . | . | trans | -91 | 108.7 | 171.1 | 179.2 | -112.6 | 0 | 0 | 0 | 110.3 | I784 G789 M791 L794 L837 F857 | I784-F787 HydrophobicContact CG2-CB 4.21Å; F787-G789 WeakPolarHBondContact CD1-O 3.18Å; F787-G789 VanDerWaalsContact CE1-O 3.22Å; F787-G789 WeakPolarHBondContact CE1-O 3.43Å; F787-G789 PolarHBondContact O-N 3.17Å; F787-M791 HydrophobicContact CB-CE 4.44Å; F787-M791 HydrophobicContact CD1-CE 4.34Å; F787-M791 HydrophobicContact CD1-CG 3.86Å; F787-M791 HydrophobicContact CE1-CG 4.06Å; F787-L794 HydrophobicContact CE1-CD1 4.18Å; F787-L794 HydrophobicContact CZ-CD1 4.01Å; F787-L794 HydrophobicContact CZ-CD2 4.1Å; F787-L794 HydrophobicContact CZ-CG 4.41Å; F787-L837 HydrophobicContact CE2-CD2 4.22Å; F787-F857 HydrophobicContact CB-CB 4.21Å; F787-F857 HydrophobicContact CB-CG 4.2Å; F787-F857 HydrophobicContact CD2-CD1 4.11Å; F787-F857 AromaticContact CD2-CD2 3.79Å; F787-F857 HydrophobicContact CD2-CD2 3.79Å; F787-F857 HydrophobicContact CD2-CE1 4.02Å; F787-F857 AromaticContact CD2-CE2 3.69Å; F787-F857 HydrophobicContact CD2-CE2 3.69Å; F787-F857 AromaticContact CD2-CG 4Å; F787-F857 HydrophobicContact CD2-CG 4Å; F787-F857 AromaticContact CD2-CZ 3.81Å; F787-F857 HydrophobicContact CD2-CZ 3.81Å; F787-F857 HydrophobicContact CE2-CE2 4.08Å; F787-F857 HydrophobicContact CE2-CZ 4.09Å | ||
| 788 | E | 75.9 | Confident | 80.3 | Confident | 197 Ų | 197 | 59.7 Ų | 59.7 | 92% | 0.921 | 34% | 0.337 | S | S | * | . | trans | -82.6 | 64.3 | -179.4 | -64.6 | -178.8 | 170 | 0 | 0 | 111.4 | ||||
| 789 | G | 76.3 | Confident | 81.1 | Confident | 43 Ų | 43 | 60.2 Ų | 60.2 | 44% | 0.443 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -176.3 | 169.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | F787 | F787-G789 WeakPolarHBondContact CD1-O 3.18Å; F787-G789 VanDerWaalsContact CE1-O 3.22Å; F787-G789 WeakPolarHBondContact CE1-O 3.43Å; F787-G789 PolarHBondContact O-N 3.17Å |
| 790 | N | 73.4 | Confident | 81.9 | Confident | 79 Ų | 79 | 58.5 Ų | 58.5 | 42% | 0.422 | 33% | 0.331 | S | S | . | . | trans | -85.7 | 115.6 | 179 | 178.8 | 10.9 | 0 | 0 | 0 | 111.2 | S792 E793 | N790-S792 PolarHBondContact ND2-OG 3.4Å; N790-S792 PolarHBondContact O-N 2.92Å; N790-S792 PolarHBondContact OD1-N 3.12Å; N790-S792 VanDerWaalsContact OD1-N 3.16Å; N790-S792 PolarHBondContact OD1-OG 2.96Å; N790-S792 VanDerWaalsContact OD1-OG 3.08Å; N790-E793 HydrophobicContact CB-CG 4.23Å; N790-E793 VanDerWaalsContact CB-OE1 3.28Å; N790-E793 WeakPolarHBondContact CB-OE1 3.47Å; N790-E793 PolarHBondContact ND2-OE1 2.88Å; N790-E793 PolarHBondContact O-N 2.95Å; N790-E793 VanDerWaalsContact O-N 3.16Å | ||
| 791 | M | 78.8 | Confident | 82.4 | Confident | 55 Ų | 55 | 57.1 Ų | 57.1 | 27% | 0.271 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -61.8 | -26.6 | -178.5 | -65.1 | -175 | -172.5 | 0 | 0 | 113.5 | L781 I784 F787 E793 L794 | L781-M791 HydrophobicContact CD1-SD 3.86Å; L781-M791 HydrophobicContact CG-SD 3.97Å; I784-M791 HydrophobicContact CB-CE 3.86Å; I784-M791 HydrophobicContact CG2-CE 4.18Å; F787-M791 HydrophobicContact CB-CE 4.44Å; F787-M791 HydrophobicContact CD1-CE 4.34Å; F787-M791 HydrophobicContact CD1-CG 3.86Å; F787-M791 HydrophobicContact CE1-CG 4.06Å; M791-E793 PolarHBondContact O-N 2.97Å; M791-L794 WeakPolarHBondContact O-CB 3.36Å; M791-L794 PolarHBondContact O-N 3.17Å |
| 792 | S | 72.5 | Confident | 82.9 | Confident | 90 Ų | 90 | 58 Ų | 58 | 63% | 0.629 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -68.5 | -22.7 | 179.1 | 72.1 | 0 | 0 | 0 | 0 | 113.1 | N790 L794 | N790-S792 PolarHBondContact ND2-OG 3.4Å; N790-S792 PolarHBondContact O-N 2.92Å; N790-S792 PolarHBondContact OD1-N 3.12Å; N790-S792 VanDerWaalsContact OD1-N 3.16Å; N790-S792 PolarHBondContact OD1-OG 2.96Å; N790-S792 VanDerWaalsContact OD1-OG 3.08Å; S792-L794 VanDerWaalsContact C-N 3.3Å; S792-L794 PolarHBondContact O-N 3.34Å |
| 793 | E | 84.3 | Confident | 83.8 | Confident | 124 Ų | 124 | 53.9 Ų | 53.9 | 58% | 0.579 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -74.4 | -23.6 | -179.2 | -72.6 | 165.6 | -146.5 | 0 | 0 | 112.5 | N790 M791 G795 K834 | N790-E793 HydrophobicContact CB-CG 4.23Å; N790-E793 VanDerWaalsContact CB-OE1 3.28Å; N790-E793 WeakPolarHBondContact CB-OE1 3.47Å; N790-E793 PolarHBondContact ND2-OE1 2.88Å; N790-E793 PolarHBondContact O-N 2.95Å; N790-E793 VanDerWaalsContact O-N 3.16Å; M791-E793 PolarHBondContact O-N 2.97Å; E793-G795 PolarHBondContact O-N 2.85Å; E793-K834 WeakPolarHBondContact O-CD 3.27Å; E793-K834 WeakPolarHBondContact O-CE 3.27Å; E793-K834 PolarHBondContact O-NZ 3.4Å |
| 794 | L | 85.7 | Confident | 84.3 | Confident | 21 Ų | 21 | 53.6 Ų | 53.6 | 11% | 0.11 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -67.4 | -17.2 | 178.9 | -53.4 | 179.4 | 0 | 0 | 0 | 113.6 | F787 M791 S792 H832 K834 A835 L837 | F787-L794 HydrophobicContact CE1-CD1 4.18Å; F787-L794 HydrophobicContact CZ-CD1 4.01Å; F787-L794 HydrophobicContact CZ-CD2 4.1Å; F787-L794 HydrophobicContact CZ-CG 4.41Å; M791-L794 WeakPolarHBondContact O-CB 3.36Å; M791-L794 PolarHBondContact O-N 3.17Å; S792-L794 VanDerWaalsContact C-N 3.3Å; S792-L794 PolarHBondContact O-N 3.34Å; L794-H832 HydrophobicContact CB-CB 3.96Å; L794-H832 WeakPolarHBondContact O-CB 3.33Å; L794-K834 VanDerWaalsContact O-CB 3.29Å; L794-K834 WeakPolarHBondContact O-CB 3.49Å; L794-K834 WeakPolarHBondContact O-CG 3.44Å; L794-K834 PolarHBondContact O-N 3.02Å; L794-A835 HydrophobicContact CD2-CB 3.89Å; L794-L837 HydrophobicContact CD1-CD1 3.82Å; L794-L837 HydrophobicContact CD1-CD2 3.97Å; L794-L837 HydrophobicContact CD1-CG 4.24Å |
| 795 | G | 84.7 | Confident | 84.7 | Confident | 15 Ų | 15 | 53.2 Ų | 53.2 | 16% | 0.155 | 31% | 0.31 | C | S | . | . | trans | 82.4 | -179.4 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E793 H832 E833 | E793-G795 PolarHBondContact O-N 2.85Å; G795-H832 PolarHBondContact O-ND1 3.49Å; G795-E833 VanDerWaalsContact CA-OE2 3.24Å; G795-E833 WeakPolarHBondContact CA-OE2 3.36Å | ||
| 796 | K | 81.8 | Confident | 84.9 | Confident | 134 Ų | 134 | 51.8 Ų | 51.8 | 58% | 0.583 | 30% | 0.298 | S | S | * | . | trans | -56.8 | 138.1 | -176.9 | -171.3 | 173.5 | -178.7 | 171.6 | 0 | 111.2 | L798 H832 E833 | K796-L798 HydrophobicContact CB-CD2 4.3Å; K796-L798 HydrophobicContact CD-CD2 4.44Å; K796-L798 HydrophobicContact CG-CD2 4.3Å; K796-L798 PolarHBondContact O-N 3.06Å; K796-H832 VanDerWaalsContact O-CA 3.27Å; K796-H832 WeakPolarHBondContact O-CA 3.39Å; K796-E833 HydrophobicContact CB-CG 4.13Å; K796-E833 WeakPolarHBondContact CB-OE1 3.48Å; K796-E833 VanDerWaalsContact N-CD 3.35Å; K796-E833 PolarHBondContact N-OE2 2.84Å; K796-E833 PolarHBondContact O-N 3.09Å | ||
| 797 | L | 86.6 | Confident | 85.1 | Confident | 22 Ų | 22 | 51.3 Ų | 51.3 | 12% | 0.115 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 119.6 | 168.5 | 177.7 | 57.2 | 0 | 0 | 0 | 109.2 | D777 L781 M799 F830 | D777-L797 HydrophobicContact CB-CD2 3.81Å; D777-L797 HydrophobicContact CB-CG 4.22Å; D777-L797 WeakPolarHBondContact O-CD2 3.32Å; L781-L797 HydrophobicContact CB-CD2 3.87Å; L781-L797 HydrophobicContact CD1-CD2 4.36Å; L781-L797 HydrophobicContact CD2-CB 4.4Å; L781-L797 HydrophobicContact CD2-CD2 4.15Å; L781-L797 HydrophobicContact CG-CD2 4.35Å; L797-M799 WeakPolarHBondContact CD1-O 3.26Å; L797-F830 HydrophobicContact CD1-CB 3.94Å; L797-F830 HydrophobicContact CD1-CD1 4.13Å; L797-F830 HydrophobicContact CD2-CD1 4.07Å |
| 798 | L | 87.2 | Confident | 84.4 | Confident | 31 Ų | 31 | 53.3 Ų | 53.3 | 16% | 0.162 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | -37 | -174.9 | -55.5 | 178.2 | 0 | 0 | 0 | 112 | K773 K796 L831 E833 E906 V910 | K773-L798 PolarHBondContact NZ-O 2.88Å; K796-L798 HydrophobicContact CB-CD2 4.3Å; K796-L798 HydrophobicContact CD-CD2 4.44Å; K796-L798 HydrophobicContact CG-CD2 4.3Å; K796-L798 PolarHBondContact O-N 3.06Å; L798-L831 WeakPolarHBondContact CA-O 3.5Å; L798-L831 HydrophobicContact CB-CG 4.44Å; L798-L831 WeakPolarHBondContact CB-O 3.45Å; L798-L831 PolarHBondContact N-O 3.36Å; L798-E833 HydrophobicContact CD1-CG 4.02Å; L798-E833 HydrophobicContact CD2-CG 4.1Å; L798-E833 HydrophobicContact CG-CG 4.21Å; L798-E906 HydrophobicContact CB-CG 4.22Å; L798-V910 HydrophobicContact CD1-CG2 3.26Å |
| 799 | M | 89.4 | Confident | 83.7 | Confident | 17 Ų | 17 | 48 Ų | 48 | 8% | 0.084 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 146.9 | 174 | -58.9 | -164.6 | 78.8 | 0 | 0 | 112 | L797 L831 T902 W903 E906 | L797-M799 WeakPolarHBondContact CD1-O 3.26Å; M799-L831 HydrophobicContact CB-CB 4.34Å; M799-L831 HydrophobicContact CG-CD2 4.49Å; M799-L831 PolarHBondContact N-O 2.84Å; M799-L831 PolarHBondContact O-N 3.12Å; M799-T902 HydrophobicContact CE-CG2 3.44Å; M799-T902 VanDerWaalsContact CE-CG2 3.44Å; M799-T902 HydrophobicContact SD-CG2 4.04Å; M799-W903 HydrophobicContact CB-CD2 4.42Å; M799-W903 HydrophobicContact CB-CH2 4.14Å; M799-W903 HydrophobicContact CB-CZ2 3.55Å; M799-W903 HydrophobicContact CE-CG 4.19Å; M799-W903 VanDerWaalsContact CE-NE1 3.35Å; M799-W903 HydrophobicContact SD-CB 4.4Å; M799-W903 VanDerWaalsContact SD-CD1 3.6Å; M799-W903 HydrophobicContact SD-CD2 4.07Å; M799-W903 HydrophobicContact SD-CG 3.82Å; M799-E906 HydrophobicContact CG-CB 4.2Å; M799-E906 HydrophobicContact CG-CG 4.09Å; M799-E906 HydrophobicContact SD-CB 3.76Å; M799-E906 HydrophobicContact SD-CG 4.24Å |
| 800 | Q | 91.7 | Very high | 82.6 | Confident | 32 Ų | 32 | 52.8 Ų | 52.8 | 15% | 0.15 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 165.4 | 159.3 | 59 | 63.9 | 34.5 | 0 | 0 | 112.2 | N776 D777 H780 H828 L829 F830 | N776-Q800 PolarHBondContact ND2-NE2 2.74Å; D777-Q800 HydrophobicContact CB-CG 3.96Å; D777-Q800 WeakPolarHBondContact OD1-CG 3.46Å; D777-Q800 PolarHBondContact OD1-NE2 2.69Å; H780-Q800 HydrophobicContact CB-CG 4.12Å; H780-Q800 VanDerWaalsContact CD2-CD 3.46Å; H780-Q800 PolarHBondContact CD2-NE2 3.04Å; Q800-H828 PolarHBondContact OE1-CE1 3.12Å; Q800-H828 VanDerWaalsContact OE1-CE1 3.26Å; Q800-H828 PolarHBondContact OE1-NE2 3.29Å; Q800-L829 VanDerWaalsContact CA-O 3.22Å; Q800-L829 WeakPolarHBondContact CA-O 3.14Å; Q800-F830 HydrophobicContact CB-CD1 3.67Å; Q800-F830 HydrophobicContact CB-CE1 3.88Å; Q800-F830 HydrophobicContact CB-CG 4.37Å; Q800-F830 HydrophobicContact CG-CE1 4.42Å |
| 801 | G | 91.2 | Very high | 81.2 | Confident | 13 Ų | 13 | 57.1 Ų | 57.1 | 13% | 0.134 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.6 | 161 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | F803 H828 L829 | G801-F803 VanDerWaalsContact C-CE2 3.47Å; G801-F803 VanDerWaalsContact O-CD2 3.26Å; G801-F803 WeakPolarHBondContact O-CD2 3.32Å; G801-F803 WeakPolarHBondContact O-CE2 3.19Å; G801-H828 VanDerWaalsContact C-CE1 3.47Å; G801-H828 PolarHBondContact N-NE2 3.17Å; G801-H828 CarbonylContact O-C 3.31Å; G801-H828 VanDerWaalsContact O-CA 3.3Å; G801-H828 WeakPolarHBondContact O-CA 3.34Å; G801-H828 PolarHBondContact O-ND1 2.84Å; G801-L829 PolarHBondContact N-O 2.77Å; G801-L829 PolarHBondContact O-N 2.79Å |
| 802 | S | 92.2 | Very high | 79.1 | Confident | 47 Ų | 47 | 56.8 Ų | 56.8 | 33% | 0.329 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 133.9 | 177.4 | -51.3 | 0 | 0 | 0 | 0 | 111.4 | H828 | S802-H828 PolarHBondContact OG-ND1 2.86Å |
| 803 | F | 94.6 | Very high | 77.2 | Confident | 3 Ų | 3 | 61.3 Ų | 61.3 | 1% | 0.013 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 147.9 | -172 | -64.1 | -87 | 0 | 0 | 0 | 113 | G801 V805 R827 L829 V892 A894 V899 W903 | G801-F803 VanDerWaalsContact C-CE2 3.47Å; G801-F803 VanDerWaalsContact O-CD2 3.26Å; G801-F803 WeakPolarHBondContact O-CD2 3.32Å; G801-F803 WeakPolarHBondContact O-CE2 3.19Å; F803-V805 HydrophobicContact CB-CG2 4Å; F803-R827 PolarHBondContact N-O 3.13Å; F803-R827 PolarHBondContact O-N 2.94Å; F803-L829 HydrophobicContact CB-CD1 4.43Å; F803-L829 HydrophobicContact CD2-CB 4.06Å; F803-L829 HydrophobicContact CD2-CD1 3.66Å; F803-L829 HydrophobicContact CD2-CG 3.71Å; F803-L829 HydrophobicContact CE2-CB 4.22Å; F803-L829 HydrophobicContact CE2-CD1 4.16Å; F803-L829 HydrophobicContact CE2-CG 4.32Å; F803-L829 HydrophobicContact CG-CD1 4.11Å; F803-L829 HydrophobicContact CG-CG 4.46Å; F803-V892 HydrophobicContact CB-CG1 3.78Å; F803-V892 HydrophobicContact CD1-CG1 3.42Å; F803-V892 VanDerWaalsContact CD1-CG1 3.42Å; F803-V892 HydrophobicContact CE1-CG1 4.17Å; F803-V892 HydrophobicContact CG-CG1 3.67Å; F803-A894 HydrophobicContact CD1-CB 4.31Å; F803-A894 HydrophobicContact CE1-CB 3.89Å; F803-V899 HydrophobicContact CE1-CG1 4.33Å; F803-V899 HydrophobicContact CZ-CG1 4.33Å; F803-W903 HydrophobicContact CE2-CD2 4.21Å; F803-W903 AromaticContact CE2-CE2 3.73Å; F803-W903 HydrophobicContact CE2-CH2 4.11Å; F803-W903 AromaticContact CE2-CZ2 3.68Å; F803-W903 HydrophobicContact CE2-CZ2 3.68Å; F803-W903 AromaticContact CZ-CD1 3.84Å; F803-W903 AromaticContact CZ-CD2 3.74Å; F803-W903 HydrophobicContact CZ-CD2 3.74Å; F803-W903 AromaticContact CZ-CE2 3.48Å; F803-W903 VanDerWaalsContact CZ-CE2 3.48Å; F803-W903 HydrophobicContact CZ-CE3 4.39Å; F803-W903 AromaticContact CZ-CG 3.99Å; F803-W903 HydrophobicContact CZ-CG 3.99Å; F803-W903 AromaticContact CZ-CZ2 3.96Å; F803-W903 HydrophobicContact CZ-CZ2 3.96Å; F803-W903 AromaticContact CZ-NE1 3.53Å |
| 804 | S | 91.8 | Very high | 75.4 | Confident | 21 Ų | 21 | 60.3 Ų | 60.3 | 15% | 0.147 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 118.9 | 162 | -77.7 | 0 | 0 | 0 | 0 | 109.1 | W806 Q826 Q893 | S804-W806 WeakPolarHBondContact O-CZ3 3.49Å; S804-Q826 PolarHBondContact OG-NE2 2.8Å; S804-Q893 PolarHBondContact N-O 3.22Å; S804-Q893 PolarHBondContact O-N 3.38Å |
| 805 | V | 91.6 | Very high | 73.2 | Confident | 5 Ų | 5 | 68.5 Ų | 68.5 | 3% | 0.03 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 132.6 | -174.3 | -175.1 | 0 | 0 | 0 | 0 | 111.5 | F803 M825 R827 F838 Y890 I891 V892 | F803-V805 HydrophobicContact CB-CG2 4Å; V805-M825 PolarHBondContact N-O 2.94Å; V805-M825 PolarHBondContact O-N 2.99Å; V805-R827 HydrophobicContact CB-CG 4.43Å; V805-R827 HydrophobicContact CG2-CB 3.98Å; V805-R827 HydrophobicContact CG2-CG 4.28Å; V805-F838 HydrophobicContact CG1-CE1 4.49Å; V805-Y890 HydrophobicContact CG1-CD1 4.23Å; V805-I891 CarbonylContact C-O 3.55Å; V805-I891 VanDerWaalsContact CA-O 3.28Å; V805-I891 WeakPolarHBondContact CA-O 3.34Å; V805-V892 HydrophobicContact CG1-CG2 4.48Å; V805-V892 HydrophobicContact CG2-CG1 4.47Å; V805-V892 HydrophobicContact CG2-CG2 4.32Å |
| 806 | W | 87.9 | Confident | 70.9 | Confident | 32 Ų | 32 | 73.1 Ų | 73.1 | 12% | 0.121 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 148.5 | 170.8 | -58.7 | -103 | 0 | 0 | 0 | 110.2 | S804 F822 P824 K878 Y890 I891 Q893 | S804-W806 WeakPolarHBondContact O-CZ3 3.49Å; W806-F822 PolarHBondContact NE1-O 3.14Å; W806-P824 HydrophobicContact CD2-CB 3.9Å; W806-P824 HydrophobicContact CE3-CB 4.22Å; W806-P824 HydrophobicContact CH2-CB 3.88Å; W806-P824 HydrophobicContact CH2-CG 4.09Å; W806-P824 HydrophobicContact CZ2-CB 3.58Å; W806-P824 HydrophobicContact CZ2-CG 3.62Å; W806-P824 HydrophobicContact CZ3-CB 4.18Å; W806-K878 HydrophobicContact CZ3-CD 4.25Å; W806-Y890 CarbonylContact O-C 3.55Å; W806-Y890 WeakPolarHBondContact O-CA 3.3Å; W806-I891 HydrophobicContact CB-CB 4.3Å; W806-I891 HydrophobicContact CE3-CB 4.26Å; W806-I891 HydrophobicContact CE3-CG2 4.2Å; W806-I891 PolarHBondContact N-O 2.89Å; W806-I891 PolarHBondContact O-N 3.29Å; W806-Q893 HydrophobicContact CH2-CB 3.98Å; W806-Q893 HydrophobicContact CZ3-CB 3.63Å |
| 807 | T | 84 | Confident | 68.9 | Low | 54 Ų | 54 | 71.5 Ų | 71.5 | 33% | 0.331 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 131.6 | 177 | 50.1 | 0 | 0 | 0 | 0 | 112.2 | V889 Y890 | T807-V889 CarbonylContact C-O 3.54Å; T807-V889 WeakPolarHBondContact CA-O 3.46Å; T807-Y890 HydrophobicContact CG2-CD1 3.73Å; T807-Y890 HydrophobicContact CG2-CE1 3.7Å |
| 808 | E | 71.8 | Confident | 66.6 | Low | 85 Ų | 85 | 75 Ų | 75 | 40% | 0.397 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 116.1 | 171.1 | 178.8 | 163.5 | -110.3 | 0 | 0 | 110.2 | R821 V889 | E808-R821 IonicContact OE1-NH1 3.45Å; E808-R821 PolarHBondContact OE1-NH1 3.33Å; E808-V889 HydrophobicContact CB-CB 4.38Å; E808-V889 PolarHBondContact N-O 3.04Å; E808-V889 PolarHBondContact O-N 3.02Å |
| 809 | H | 60.1 | Low | 64.3 | Low | 84 Ų | 84 | 77.8 Ų | 77.8 | 39% | 0.389 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 134.4 | 178.8 | -62.4 | -93.6 | 0 | 0 | 0 | 110.6 | E887 E888 | H809-E887 WeakPolarHBondContact CA-O 3.47Å; H809-E888 IonicContact CE1-OE1 2.69Å; H809-E888 PolarHBondContact CE1-OE1 3.48Å |
| 810 | K | 53.3 | Low | 61.8 | Low | 144 Ų | 144 | 80.4 Ų | 80.4 | 63% | 0.626 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -96.1 | -2.3 | -158.4 | -145.7 | 165.1 | -171.4 | 166.4 | 0 | 116.9 | E887 | K810-E887 PolarHBondContact N-O 3.44Š|
| 811 | K | 44.5 | Very low | 59.8 | Low | 171 Ų | 171 | 83 Ų | 83 | 74% | 0.743 | 44% | 0.444 | S | S | * | . | trans | -139.5 | 154.6 | 173 | -69.7 | 177.1 | -172.7 | 155.9 | 0 | 110.2 | E887 | K811-E887 IonicContact NZ-OE1 2.71Š| ||
| 812 | G | 35.5 | Very low | 57.9 | Low | 48 Ų | 48 | 90 Ų | 90 | 50% | 0.495 | 47% | 0.47 | S | S | . | . | S | Bend | trans | 116.1 | 77.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K817 | G812-K817 PolarHBondContact O-NZ 3.21Š|
| 813 | H | 32.4 | Very low | 56.4 | Low | 184 Ų | 184 | 94.9 Ų | 94.9 | 85% | 0.852 | 49% | 0.486 | S | S | * | . | trans | 36.9 | 117 | 170.5 | -66.2 | -88.1 | 0 | 0 | 0 | 119.2 | K815 | H813-K815 PolarHBondContact O-N 3.09Š| ||
| 814 | A | 45.4 | Very low | 55.6 | Low | 103 Ų | 103 | 96.7 Ų | 96.7 | 85% | 0.851 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -84.4 | 93.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 815 | K | 40.4 | Very low | 55.3 | Low | 193 Ų | 193 | 100.5 Ų | 100.5 | 84% | 0.839 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -173.3 | 143.2 | 146.3 | -99.4 | 155 | -175.3 | -176.6 | 0 | 107.7 | H813 | H813-K815 PolarHBondContact O-N 3.09Š|
| 816 | V | 36.6 | Very low | 55.2 | Low | 112 Ų | 112 | 105.5 Ų | 105.5 | 68% | 0.679 | 54% | 0.537 | S | S | * | . | S | Bend | trans | 62.6 | 66.9 | -178.5 | -161.8 | 0 | 0 | 0 | 0 | 114.6 | ||
| 817 | K | 38.7 | Very low | 55.5 | Low | 101 Ų | 101 | 106 Ų | 106 | 44% | 0.439 | 54% | 0.539 | S | S | . | . | trans | -142.1 | 28.1 | 176.7 | -138.1 | 171.8 | -169.3 | 173.3 | 0 | 116 | G812 R821 | G812-K817 PolarHBondContact O-NZ 3.21Å; K817-R821 PolarHBondContact O-NE 3.39Å; K817-R821 PolarHBondContact O-NH2 3.44Å | ||
| 818 | D | 38.8 | Very low | 56 | Low | 95 Ų | 95 | 103.6 Ų | 103.6 | 51% | 0.508 | 52% | 0.524 | S | S | . | . | trans | -126.4 | 34.3 | -164.8 | -58.8 | -49.1 | 0 | 0 | 0 | 115.5 | R821 F822 | D818-R821 IonicContact OD1-CZ 2.67Å; D818-R821 IonicContact OD1-NE 2.69Å; D818-R821 IonicContact OD1-NH2 3.41Å; D818-R821 PolarHBondContact OD1-NH2 2.95Å; D818-F822 WeakPolarHBondContact O-CD2 3.3Å; D818-F822 VanDerWaalsContact O-CE2 3.24Å; D818-F822 WeakPolarHBondContact O-CE2 3.46Å | ||
| 819 | L | 37.9 | Very low | 57.1 | Low | 90 Ų | 90 | 99.5 Ų | 99.5 | 47% | 0.471 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -117.3 | -54.3 | 165.9 | -111.7 | 77.6 | 0 | 0 | 0 | 111.9 | K6 M10 R821 F822 | K6-L819 HydrophobicContact CG-CD2 4.47Å; M10-L819 HydrophobicContact CG-CD2 4.03Å; M10-L819 HydrophobicContact SD-CD2 4.19Å; L819-R821 PolarHBondContact O-N 3.37Å; L819-F822 PolarHBondContact O-N 2.88Å |
| 820 | A | 37.9 | Very low | 58.7 | Low | 71 Ų | 71 | 95.5 Ų | 95.5 | 59% | 0.587 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -7.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 821 | R | 48.5 | Very low | 60.7 | Low | 88 Ų | 88 | 88.7 Ų | 88.7 | 33% | 0.332 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -1.6 | 172.5 | -72.5 | -162.8 | -78.5 | 177.3 | -3.5 | 114.4 | E808 K817 D818 L819 | E808-R821 IonicContact OE1-NH1 3.45Å; E808-R821 PolarHBondContact OE1-NH1 3.33Å; K817-R821 PolarHBondContact O-NE 3.39Å; K817-R821 PolarHBondContact O-NH2 3.44Å; D818-R821 IonicContact OD1-CZ 2.67Å; D818-R821 IonicContact OD1-NE 2.69Å; D818-R821 IonicContact OD1-NH2 3.41Å; D818-R821 PolarHBondContact OD1-NH2 2.95Å; L819-R821 PolarHBondContact O-N 3.37Å |
| 822 | F | 51.5 | Low | 63 | Low | 159 Ų | 159 | 80.6 Ų | 80.6 | 70% | 0.697 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | -40.6 | -179.4 | -73.6 | -72.5 | 0 | 0 | 0 | 114.7 | W806 D818 L819 | W806-F822 PolarHBondContact NE1-O 3.14Å; D818-F822 WeakPolarHBondContact O-CD2 3.3Å; D818-F822 VanDerWaalsContact O-CE2 3.24Å; D818-F822 WeakPolarHBondContact O-CE2 3.46Å; L819-F822 PolarHBondContact O-N 2.88Å |
| 823 | K | 60.7 | Low | 65.6 | Low | 150 Ų | 150 | 82.2 Ų | 82.2 | 65% | 0.652 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -84.5 | 120.6 | 178.6 | -168.1 | 176.4 | -178.7 | -177.6 | 0 | 110.6 | ||
| 824 | P | 78.5 | Confident | 68.4 | Low | 40 Ų | 40 | 78.7 Ų | 78.7 | 26% | 0.26 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 139.7 | 177 | 24.2 | -29.8 | 0 | 0 | 0 | 112 | W806 | W806-P824 HydrophobicContact CD2-CB 3.9Å; W806-P824 HydrophobicContact CE3-CB 4.22Å; W806-P824 HydrophobicContact CH2-CB 3.88Å; W806-P824 HydrophobicContact CH2-CG 4.09Å; W806-P824 HydrophobicContact CZ2-CB 3.58Å; W806-P824 HydrophobicContact CZ2-CG 3.62Å; W806-P824 HydrophobicContact CZ3-CB 4.18Å |
| 825 | M | 85.8 | Confident | 70.7 | Confident | 101 Ų | 101 | 74 Ų | 74 | 50% | 0.498 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 132.1 | 163.3 | -67.3 | -169.6 | 150.4 | 0 | 0 | 110.1 | V805 R827 | V805-M825 PolarHBondContact N-O 2.94Å; V805-M825 PolarHBondContact O-N 2.99Å; M825-R827 PolarHBondContact O-N 3.09Å; M825-R827 PolarHBondContact SD-NH2 3.4Å |
| 826 | Q | 89.8 | Confident | 73.3 | Confident | 110 Ų | 110 | 64.8 Ų | 64.8 | 51% | 0.514 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 128.6 | 164.3 | -64.9 | -53.4 | -59.5 | 0 | 0 | 109.8 | S804 | S804-Q826 PolarHBondContact OG-NE2 2.8Å |
| 827 | R | 93.8 | Very high | 76 | Confident | 42 Ų | 42 | 59.5 Ų | 59.5 | 16% | 0.158 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 143.1 | 173.1 | -70.9 | -65.3 | -178.2 | -87.8 | 0.8 | 110.1 | F803 V805 M825 L829 F838 C839 | F803-R827 PolarHBondContact N-O 3.13Å; F803-R827 PolarHBondContact O-N 2.94Å; V805-R827 HydrophobicContact CB-CG 4.43Å; V805-R827 HydrophobicContact CG2-CB 3.98Å; V805-R827 HydrophobicContact CG2-CG 4.28Å; M825-R827 PolarHBondContact O-N 3.09Å; M825-R827 PolarHBondContact SD-NH2 3.4Å; R827-L829 HydrophobicContact CB-CD2 4.03Å; R827-F838 HydrophobicContact CG-CD1 4.43Å; R827-C839 CarbonylContact C-O 3.59Å; R827-C839 WeakPolarHBondContact CA-O 3.48Å; R827-C839 VanDerWaalsContact CD-O 3.25Å; R827-C839 WeakPolarHBondContact CD-O 3.2Å |
| 828 | H | 93.9 | Very high | 78.7 | Confident | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.019 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 122.7 | 164.2 | -157.4 | 91 | 0 | 0 | 0 | 107.4 | Q800 G801 S802 F830 C839 Y855 | Q800-H828 PolarHBondContact OE1-CE1 3.12Å; Q800-H828 VanDerWaalsContact OE1-CE1 3.26Å; Q800-H828 PolarHBondContact OE1-NE2 3.29Å; G801-H828 VanDerWaalsContact C-CE1 3.47Å; G801-H828 PolarHBondContact N-NE2 3.17Å; G801-H828 CarbonylContact O-C 3.31Å; G801-H828 VanDerWaalsContact O-CA 3.3Å; G801-H828 WeakPolarHBondContact O-CA 3.34Å; G801-H828 PolarHBondContact O-ND1 2.84Å; S802-H828 PolarHBondContact OG-ND1 2.86Å; H828-F830 AromaticContact CD2-CE2 3.52Å; H828-F830 AromaticContact CD2-CZ 3.51Å; H828-C839 PolarHBondContact N-O 3.07Å; H828-C839 PolarHBondContact O-N 2.89Å; H828-Y855 HydrophobicContact CB-CD1 3.62Å; H828-Y855 HydrophobicContact CB-CE1 3.67Å; H828-Y855 AromaticContact CD2-CE1 3.69Å; H828-Y855 AromaticContact CE1-CE1 3.88Å; H828-Y855 AromaticContact CG-CD1 3.71Å; H828-Y855 AromaticContact CG-CE1 3.31Å; H828-Y855 AromaticContact ND1-CE1 3.47Å; H828-Y855 WeakPolarHBondContact ND1-CE1 3.46Å |
| 829 | L | 95.3 | Very high | 81.3 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 140.9 | -175.1 | -57.8 | -175.8 | 0 | 0 | 0 | 109.6 | Q800 G801 F803 R827 L836 L837 F838 V892 W903 | Q800-L829 VanDerWaalsContact CA-O 3.22Å; Q800-L829 WeakPolarHBondContact CA-O 3.14Å; G801-L829 PolarHBondContact N-O 2.77Å; G801-L829 PolarHBondContact O-N 2.79Å; F803-L829 HydrophobicContact CB-CD1 4.43Å; F803-L829 HydrophobicContact CD2-CB 4.06Å; F803-L829 HydrophobicContact CD2-CD1 3.66Å; F803-L829 HydrophobicContact CD2-CG 3.71Å; F803-L829 HydrophobicContact CE2-CB 4.22Å; F803-L829 HydrophobicContact CE2-CD1 4.16Å; F803-L829 HydrophobicContact CE2-CG 4.32Å; F803-L829 HydrophobicContact CG-CD1 4.11Å; F803-L829 HydrophobicContact CG-CG 4.46Å; R827-L829 HydrophobicContact CB-CD2 4.03Å; L829-L836 HydrophobicContact CB-CD1 4.29Å; L829-L837 WeakPolarHBondContact CA-O 3.41Å; L829-F838 HydrophobicContact CD2-CB 3.99Å; L829-F838 HydrophobicContact CD2-CD1 3.26Å; L829-F838 HydrophobicContact CD2-CD2 4.18Å; L829-F838 HydrophobicContact CD2-CE1 3.7Å; L829-F838 HydrophobicContact CD2-CG 3.52Å; L829-F838 HydrophobicContact CD2-CZ 4.3Å; L829-V892 HydrophobicContact CD1-CG1 4.1Å; L829-V892 HydrophobicContact CD1-CG2 4.46Å; L829-W903 HydrophobicContact CB-CH2 3.62Å; L829-W903 HydrophobicContact CB-CZ3 3.98Å; L829-W903 HydrophobicContact CD1-CZ3 4.34Å |
| 830 | F | 94.1 | Very high | 83.8 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 110.3 | 173.2 | -62 | -97.2 | 0 | 0 | 0 | 109 | H780 I784 L797 Q800 H828 L836 L837 C839 Y855 | H780-F830 HydrophobicContact CB-CE1 3.78Å; H780-F830 HydrophobicContact CB-CZ 4.18Å; I784-F830 HydrophobicContact CD1-CD1 4.06Å; I784-F830 HydrophobicContact CD1-CD2 3.58Å; I784-F830 HydrophobicContact CD1-CE1 3.96Å; I784-F830 HydrophobicContact CD1-CE2 3.45Å; I784-F830 VanDerWaalsContact CD1-CE2 3.45Å; I784-F830 HydrophobicContact CD1-CG 3.88Å; I784-F830 HydrophobicContact CD1-CZ 3.66Å; I784-F830 HydrophobicContact CG1-CD2 4.31Å; I784-F830 HydrophobicContact CG1-CE1 4.26Å; I784-F830 HydrophobicContact CG1-CE2 3.66Å; I784-F830 HydrophobicContact CG1-CZ 3.63Å; L797-F830 HydrophobicContact CD1-CB 3.94Å; L797-F830 HydrophobicContact CD1-CD1 4.13Å; L797-F830 HydrophobicContact CD2-CD1 4.07Å; Q800-F830 HydrophobicContact CB-CD1 3.67Å; Q800-F830 HydrophobicContact CB-CE1 3.88Å; Q800-F830 HydrophobicContact CB-CG 4.37Å; Q800-F830 HydrophobicContact CG-CE1 4.42Å; H828-F830 AromaticContact CD2-CE2 3.52Å; H828-F830 AromaticContact CD2-CZ 3.51Å; F830-L836 WeakPolarHBondContact O-CA 3.31Å; F830-L837 HydrophobicContact CB-CB 4.16Å; F830-L837 HydrophobicContact CB-CD1 4.4Å; F830-L837 HydrophobicContact CB-CG 4.44Å; F830-L837 PolarHBondContact N-O 2.77Å; F830-L837 PolarHBondContact O-N 3.19Å; F830-C839 HydrophobicContact CE2-CB 4.11Å; F830-Y855 HydrophobicContact CE2-CG 4.3Å; F830-Y855 HydrophobicContact CZ-CD2 4.06Å; F830-Y855 HydrophobicContact CZ-CE2 4.47Å; F830-Y855 HydrophobicContact CZ-CG 4.09Å |
| 831 | L | 94.6 | Very high | 86 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 108.6 | 179.5 | 176 | 66 | 0 | 0 | 0 | 109.6 | L798 M799 L836 M863 W903 E906 I907 | L798-L831 WeakPolarHBondContact CA-O 3.5Å; L798-L831 HydrophobicContact CB-CG 4.44Å; L798-L831 WeakPolarHBondContact CB-O 3.45Å; L798-L831 PolarHBondContact N-O 3.36Å; M799-L831 HydrophobicContact CB-CB 4.34Å; M799-L831 HydrophobicContact CG-CD2 4.49Å; M799-L831 PolarHBondContact N-O 2.84Å; M799-L831 PolarHBondContact O-N 3.12Å; L831-L836 HydrophobicContact CB-CD1 4.09Å; L831-L836 HydrophobicContact CD1-CD1 4.25Å; L831-M863 HydrophobicContact CD1-CE 4Å; L831-M863 HydrophobicContact CD1-SD 3.93Å; L831-W903 HydrophobicContact CB-CH2 3.98Å; L831-W903 HydrophobicContact CB-CZ3 3.87Å; L831-E906 HydrophobicContact CD2-CB 4.03Å; L831-E906 HydrophobicContact CD2-CG 4.43Å; L831-I907 HydrophobicContact CD1-CG1 4.08Å; L831-I907 HydrophobicContact CD2-CG1 3.78Å |
| 832 | H | 92.8 | Very high | 87.4 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 166.1 | 169.3 | -61.9 | -112.7 | 0 | 0 | 0 | 111.1 | L794 G795 K796 K834 A835 | L794-H832 HydrophobicContact CB-CB 3.96Å; L794-H832 WeakPolarHBondContact O-CB 3.33Å; G795-H832 PolarHBondContact O-ND1 3.49Å; K796-H832 VanDerWaalsContact O-CA 3.27Å; K796-H832 WeakPolarHBondContact O-CA 3.39Å; H832-K834 PolarHBondContact O-N 2.65Å; H832-A835 WeakPolarHBondContact CA-O 3.22Å; H832-A835 WeakPolarHBondContact CB-O 3.42Å; H832-A835 PolarHBondContact N-O 2.65Å |
| 833 | E | 91.3 | Very high | 88 | Confident | 83 Ų | 83 | 48.8 Ų | 48.8 | 39% | 0.388 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -55.9 | -30.4 | 177.7 | -64.8 | 166.5 | 151.4 | 0 | 0 | 114.2 | G795 K796 L798 V910 Q914 | G795-E833 VanDerWaalsContact CA-OE2 3.24Å; G795-E833 WeakPolarHBondContact CA-OE2 3.36Å; K796-E833 HydrophobicContact CB-CG 4.13Å; K796-E833 WeakPolarHBondContact CB-OE1 3.48Å; K796-E833 VanDerWaalsContact N-CD 3.35Å; K796-E833 PolarHBondContact N-OE2 2.84Å; K796-E833 PolarHBondContact O-N 3.09Å; L798-E833 HydrophobicContact CD1-CG 4.02Å; L798-E833 HydrophobicContact CD2-CG 4.1Å; L798-E833 HydrophobicContact CG-CG 4.21Å; E833-V910 VanDerWaalsContact O-CG1 3.27Å; E833-V910 WeakPolarHBondContact O-CG1 3.29Å; E833-Q914 PolarHBondContact O-NE2 3.27Å |
| 834 | K | 90.8 | Very high | 87.5 | Confident | 109 Ų | 109 | 47.8 Ų | 47.8 | 47% | 0.474 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -117 | -12.5 | -177.4 | -48.9 | 179.8 | -154.4 | 158.2 | 0 | 114.4 | E793 L794 H832 M863 | E793-K834 WeakPolarHBondContact O-CD 3.27Å; E793-K834 WeakPolarHBondContact O-CE 3.27Å; E793-K834 PolarHBondContact O-NZ 3.4Å; L794-K834 VanDerWaalsContact O-CB 3.29Å; L794-K834 WeakPolarHBondContact O-CB 3.49Å; L794-K834 WeakPolarHBondContact O-CG 3.44Å; L794-K834 PolarHBondContact O-N 3.02Å; H832-K834 PolarHBondContact O-N 2.65Å; K834-M863 PolarHBondContact O-N 3.09Å |
| 835 | A | 93.6 | Very high | 86 | Confident | 5 Ų | 5 | 53.8 Ų | 53.8 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 149.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L794 H832 L837 L861 | L794-A835 HydrophobicContact CD2-CB 3.89Å; H832-A835 WeakPolarHBondContact CA-O 3.22Å; H832-A835 WeakPolarHBondContact CB-O 3.42Å; H832-A835 PolarHBondContact N-O 2.65Å; A835-L837 HydrophobicContact CB-CD2 4.39Å; A835-L861 CarbonylContact C-O 3.56Å; A835-L861 VanDerWaalsContact CA-O 3.3Å; A835-L861 WeakPolarHBondContact CA-O 3.49Å |
| 836 | L | 94.5 | Very high | 84.1 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 108.9 | 166.9 | 176.5 | 66.2 | 0 | 0 | 0 | 109 | L829 F830 L831 F838 L861 M863 I881 W903 | L829-L836 HydrophobicContact CB-CD1 4.29Å; F830-L836 WeakPolarHBondContact O-CA 3.31Å; L831-L836 HydrophobicContact CB-CD1 4.09Å; L831-L836 HydrophobicContact CD1-CD1 4.25Å; L836-F838 HydrophobicContact CD2-CE2 3.73Å; L836-F838 HydrophobicContact CD2-CZ 3.94Å; L836-F838 HydrophobicContact CG-CD2 4.34Å; L836-F838 HydrophobicContact CG-CE2 3.78Å; L836-F838 HydrophobicContact CG-CZ 4.43Å; L836-L861 HydrophobicContact CB-CB 4.5Å; L836-L861 PolarHBondContact N-O 3.18Å; L836-L861 PolarHBondContact O-N 2.87Å; L836-M863 HydrophobicContact CB-SD 4.15Å; L836-I881 HydrophobicContact CD2-CD1 3.54Å; L836-I881 HydrophobicContact CD2-CG2 4.03Å; L836-W903 HydrophobicContact CD1-CZ3 4Å |
| 837 | L | 94.3 | Very high | 81.7 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 143.6 | 175.7 | -44.1 | -179.7 | 0 | 0 | 0 | 110.5 | I784 F787 L794 L829 F830 A835 F857 S860 | I784-L837 HydrophobicContact CD1-CD1 4.04Å; F787-L837 HydrophobicContact CE2-CD2 4.22Å; L794-L837 HydrophobicContact CD1-CD1 3.82Å; L794-L837 HydrophobicContact CD1-CD2 3.97Å; L794-L837 HydrophobicContact CD1-CG 4.24Å; L829-L837 WeakPolarHBondContact CA-O 3.41Å; F830-L837 HydrophobicContact CB-CB 4.16Å; F830-L837 HydrophobicContact CB-CD1 4.4Å; F830-L837 HydrophobicContact CB-CG 4.44Å; F830-L837 PolarHBondContact N-O 2.77Å; F830-L837 PolarHBondContact O-N 3.19Å; A835-L837 HydrophobicContact CB-CD2 4.39Å; L837-F857 HydrophobicContact CB-CE2 4.46Å; L837-F857 HydrophobicContact CD2-CE2 4.13Å; L837-S860 WeakPolarHBondContact CD2-OG 3.36Å |
| 838 | F | 94.3 | Very high | 79.3 | Confident | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.009 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 121.6 | 170.2 | -59.9 | -126.3 | 0 | 0 | 0 | 107.9 | V805 R827 L829 L836 K858 Q859 L861 Y890 | V805-F838 HydrophobicContact CG1-CE1 4.49Å; R827-F838 HydrophobicContact CG-CD1 4.43Å; L829-F838 HydrophobicContact CD2-CB 3.99Å; L829-F838 HydrophobicContact CD2-CD1 3.26Å; L829-F838 HydrophobicContact CD2-CD2 4.18Å; L829-F838 HydrophobicContact CD2-CE1 3.7Å; L829-F838 HydrophobicContact CD2-CG 3.52Å; L829-F838 HydrophobicContact CD2-CZ 4.3Å; L836-F838 HydrophobicContact CD2-CE2 3.73Å; L836-F838 HydrophobicContact CD2-CZ 3.94Å; L836-F838 HydrophobicContact CG-CD2 4.34Å; L836-F838 HydrophobicContact CG-CE2 3.78Å; L836-F838 HydrophobicContact CG-CZ 4.43Å; F838-K858 WeakPolarHBondContact O-CB 3.49Å; F838-K858 PolarHBondContact O-N 2.98Å; F838-Q859 HydrophobicContact CB-CG 3.56Å; F838-Q859 HydrophobicContact CD1-CG 4.42Å; F838-Q859 HydrophobicContact CD2-CG 3.85Å; F838-Q859 HydrophobicContact CG-CG 3.72Å; F838-Q859 PolarHBondContact N-O 2.84Å; F838-Q859 PolarHBondContact O-N 3.46Å; F838-L861 HydrophobicContact CE2-CD1 3.64Å; F838-L861 HydrophobicContact CE2-CG 3.82Å; F838-L861 HydrophobicContact CZ-CD1 3.85Å; F838-L861 HydrophobicContact CZ-CG 4.48Å; F838-Y890 AromaticContact CE1-CD1 3.83Å; F838-Y890 HydrophobicContact CE1-CD1 3.83Å; F838-Y890 HydrophobicContact CE1-CE1 4.3Å; F838-Y890 HydrophobicContact CE1-CG 4.08Å; F838-Y890 HydrophobicContact CZ-CD1 4.18Å; F838-Y890 HydrophobicContact CZ-CD2 4.31Å; F838-Y890 HydrophobicContact CZ-CG 4.08Å |
| 839 | C | 93 | Very high | 77 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 162 | 175.3 | -56 | 0 | 0 | 0 | 0 | 110.3 | R827 H828 F830 S856 | R827-C839 CarbonylContact C-O 3.59Å; R827-C839 WeakPolarHBondContact CA-O 3.48Å; R827-C839 VanDerWaalsContact CD-O 3.25Å; R827-C839 WeakPolarHBondContact CD-O 3.2Å; H828-C839 PolarHBondContact N-O 3.07Å; H828-C839 PolarHBondContact O-N 2.89Å; F830-C839 HydrophobicContact CE2-CB 4.11Å; C839-S856 CarbonylContact C-O 3.6Å; C839-S856 VanDerWaalsContact CA-O 3.23Å; C839-S856 WeakPolarHBondContact CA-O 3.49Å; C839-S856 WeakPolarHBondContact CB-O 3.1Å |
| 840 | K | 90.8 | Very high | 74.8 | Confident | 60 Ų | 60 | 71 Ų | 71 | 26% | 0.261 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 128.8 | 163.1 | -174.7 | -174.8 | 166.5 | -174.5 | 0 | 108.1 | E229 R842 S856 K858 | E229-K840 WeakPolarHBondContact OE1-CD 3.36Å; E229-K840 WeakPolarHBondContact OE1-CE 3.07Å; E229-K840 IonicContact OE1-NZ 2.73Å; E229-K840 PolarHBondContact OE1-NZ 3.48Å; K840-R842 PolarHBondContact O-N 3.36Å; K840-S856 PolarHBondContact N-O 3.47Å; K840-S856 PolarHBondContact O-N 3.4Å; K840-K858 HydrophobicContact CB-CG 4.33Å |
| 841 | R | 84.7 | Confident | 72.9 | Confident | 116 Ų | 116 | 75.5 Ų | 75.5 | 44% | 0.438 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 130.7 | 169.9 | -172.4 | 177 | 82.4 | -141.6 | 3 | 109.3 | E843 P853 Y855 | R841-E843 IonicContact CZ-OE1 3.55Å; R841-E843 VanDerWaalsContact CZ-OE1 3.23Å; R841-E843 IonicContact NE-OE1 2.74Å; R841-E843 PolarHBondContact NE-OE1 3.4Å; R841-E843 IonicContact NH2-OE1 3.51Å; R841-E843 PolarHBondContact NH2-OE1 3.5Å; R841-P853 HydrophobicContact CG-CB 3.78Å; R841-Y855 HydrophobicContact CB-CD1 4.1Å; R841-Y855 HydrophobicContact CB-CE1 4.01Å; R841-Y855 HydrophobicContact CG-CD1 4.36Å; R841-Y855 HydrophobicContact CG-CE1 3.99Å |
| 842 | R | 77.7 | Confident | 71.3 | Confident | 66 Ų | 66 | 78.2 Ų | 78.2 | 25% | 0.249 | 39% | 0.391 | C | S | . | . | trans | -94.8 | 153 | 167.2 | -66.5 | -77.5 | 174.5 | -141.7 | -4.2 | 109.4 | E229 K840 E844 S854 S856 | E229-R842 IonicContact OE1-CZ 2.8Å; E229-R842 IonicContact OE1-NH1 3.62Å; E229-R842 PolarHBondContact OE1-NH1 3.28Å; E229-R842 IonicContact OE1-NH2 3.82Å; E229-R842 IonicContact OE2-CZ 2.88Å; E229-R842 IonicContact OE2-NH1 3.14Å; E229-R842 PolarHBondContact OE2-NH1 3.48Å; E229-R842 IonicContact OE2-NH2 3.76Å; E229-R842 PolarHBondContact OE2-NH2 2.87Å; K840-R842 PolarHBondContact O-N 3.36Å; R842-E844 HydrophobicContact CB-CG 4.22Å; R842-S854 VanDerWaalsContact CB-OG 3.26Å; R842-S854 WeakPolarHBondContact CB-OG 2.95Å; R842-S854 PolarHBondContact N-O 3.35Å; R842-S856 WeakPolarHBondContact CG-OG 3.39Å; R842-S856 PolarHBondContact NE-OG 2.93Å | ||
| 843 | E | 64.4 | Low | 70 | Confident | 135 Ų | 135 | 80.6 Ų | 80.6 | 63% | 0.631 | 41% | 0.406 | S | S | * | . | trans | -125.9 | 104 | 162.4 | -73.8 | 171.9 | -143.6 | 0 | 0 | 104.7 | R841 N845 | R841-E843 IonicContact CZ-OE1 3.55Å; R841-E843 VanDerWaalsContact CZ-OE1 3.23Å; R841-E843 IonicContact NE-OE1 2.74Å; R841-E843 PolarHBondContact NE-OE1 3.4Å; R841-E843 IonicContact NH2-OE1 3.51Å; R841-E843 PolarHBondContact NH2-OE1 3.5Å; E843-N845 PolarHBondContact O-N 3.21Å | ||
| 844 | E | 50.5 | Low | 69.6 | Low | 130 Ų | 130 | 77.4 Ų | 77.4 | 61% | 0.607 | 39% | 0.393 | S | S | * | . | trans | -89.7 | 105.1 | -172.2 | -73.7 | 174 | -145.4 | 0 | 0 | 109.6 | R842 G846 S854 | R842-E844 HydrophobicContact CB-CG 4.22Å; E844-G846 PolarHBondContact O-N 3.02Å; E844-S854 WeakPolarHBondContact OE1-CB 3.48Å; E844-S854 PolarHBondContact OE1-OG 2.98Å | ||
| 845 | N | 46.3 | Very low | 69.5 | Low | 165 Ų | 165 | 72.5 Ų | 72.5 | 88% | 0.882 | 37% | 0.372 | S | S | * | . | trans | -83.4 | 45.3 | -178.7 | -64.5 | -31.2 | 0 | 0 | 0 | 112.1 | E843 | E843-N845 PolarHBondContact O-N 3.21Š| ||
| 846 | G | 45.4 | Very low | 69.2 | Low | 55 Ų | 55 | 73.1 Ų | 73.1 | 57% | 0.567 | 38% | 0.376 | S | S | * | . | trans | -81.3 | 164.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | E844 G848 | E844-G846 PolarHBondContact O-N 3.02Å; G846-G848 PolarHBondContact O-N 2.81Å | ||
| 847 | E | 40.3 | Very low | 69.2 | Low | 220 Ų | 220 | 75.6 Ų | 75.6 | 100% | 1.028 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -74.6 | 67.9 | 171.9 | -66.4 | -165.7 | 147.9 | 0 | 0 | 111.5 | ||
| 848 | G | 43.6 | Very low | 69 | Low | 49 Ų | 49 | 79.6 Ų | 79.6 | 51% | 0.505 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -179 | 136.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | G846 E850 | G846-G848 PolarHBondContact O-N 2.81Å; G848-E850 PolarHBondContact O-N 3.32Å |
| 849 | Y | 44.7 | Very low | 68.8 | Low | 184 Ų | 184 | 82.1 Ų | 82.1 | 72% | 0.722 | 42% | 0.416 | S | S | * | . | trans | -78 | 37.3 | -174.7 | -71.1 | -66.2 | 0 | 0 | 0 | 114.9 | K851 | Y849-K851 PolarHBondContact O-N 2.85Š| ||
| 850 | E | 48.9 | Very low | 68.7 | Low | 111 Ų | 111 | 84.6 Ų | 84.6 | 52% | 0.519 | 43% | 0.433 | S | S | . | . | trans | -74.1 | 54.2 | 162 | -73.6 | -75.7 | 136.4 | 0 | 0 | 109.9 | G848 A852 | G848-E850 PolarHBondContact O-N 3.32Å; E850-A852 PolarHBondContact O-N 3.19Å | ||
| 851 | K | 55.1 | Low | 68.7 | Low | 94 Ų | 94 | 82.2 Ų | 82.2 | 41% | 0.409 | 42% | 0.423 | S | S | . | . | trans | -71.1 | 20.7 | 179.6 | 165.8 | -175.8 | -65.2 | 171.9 | 0 | 112.6 | Y849 W1054 | Y849-K851 PolarHBondContact O-N 2.85Å; K851-W1054 HydrophobicContact CB-CE3 4.26Å; K851-W1054 HydrophobicContact CB-CH2 3.44Å; K851-W1054 VanDerWaalsContact CB-CH2 3.44Å; K851-W1054 HydrophobicContact CB-CZ2 3.77Å; K851-W1054 HydrophobicContact CB-CZ3 3.7Å; K851-W1054 HydrophobicContact CD-CD2 3.89Å; K851-W1054 HydrophobicContact CD-CE3 3.73Å; K851-W1054 HydrophobicContact CD-CG 4.49Å; K851-W1054 HydrophobicContact CD-CH2 4.44Å; K851-W1054 HydrophobicContact CD-CZ3 4.02Å; K851-W1054 HydrophobicContact CG-CD2 4.08Å; K851-W1054 HydrophobicContact CG-CE3 4.12Å; K851-W1054 HydrophobicContact CG-CH2 3.98Å; K851-W1054 HydrophobicContact CG-CZ2 3.91Å; K851-W1054 HydrophobicContact CG-CZ3 4.07Å; K851-W1054 VanDerWaalsContact O-CZ2 3.24Å; K851-W1054 WeakPolarHBondContact O-CZ2 3.39Å | ||
| 852 | A | 59.7 | Low | 69 | Low | 57 Ų | 57 | 79.6 Ų | 79.6 | 47% | 0.471 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -90.7 | 140.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110 | E850 S854 W1054 | E850-A852 PolarHBondContact O-N 3.19Å; A852-S854 PolarHBondContact O-N 2.82Å; A852-W1054 HydrophobicContact CB-CZ2 4.43Å |
| 853 | P | 67.2 | Low | 69.6 | Low | 51 Ų | 51 | 76.5 Ų | 76.5 | 33% | 0.331 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -75 | 118.2 | -175.3 | 28.9 | -33.8 | 0 | 0 | 0 | 112 | R841 Y855 | R841-P853 HydrophobicContact CG-CB 3.78Å; P853-Y855 HydrophobicContact CG-CE2 4.5Å; P853-Y855 VanDerWaalsContact O-CE2 3.22Å; P853-Y855 WeakPolarHBondContact O-CE2 3.24Å |
| 854 | S | 81.6 | Confident | 70.7 | Confident | 17 Ų | 17 | 76.2 Ų | 76.2 | 12% | 0.119 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -83.4 | 162 | 165.7 | 86.7 | 0 | 0 | 0 | 0 | 111.1 | A783 R842 E844 A852 | A783-S854 CarbonylContact O-C 3.59Å; A783-S854 WeakPolarHBondContact O-CA 3.37Å; R842-S854 VanDerWaalsContact CB-OG 3.26Å; R842-S854 WeakPolarHBondContact CB-OG 2.95Å; R842-S854 PolarHBondContact N-O 3.35Å; E844-S854 WeakPolarHBondContact OE1-CB 3.48Å; E844-S854 PolarHBondContact OE1-OG 2.98Å; A852-S854 PolarHBondContact O-N 2.82Å |
| 855 | Y | 88.3 | Confident | 72.3 | Confident | 6 Ų | 6 | 72.3 Ų | 72.3 | 2% | 0.024 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 95.8 | -173.3 | -61.5 | -80.3 | 0 | 0 | 0 | 111.1 | H780 A783 I784 T785 H828 F830 R841 P853 F857 | H780-Y855 HydrophobicContact CB-CE2 4.03Å; H780-Y855 AromaticContact ND1-CE2 3.68Å; H780-Y855 AromaticContact ND1-CZ 3.67Å; H780-Y855 PolarHBondContact ND1-OH 2.96Å; A783-Y855 HydrophobicContact CB-CD2 3.84Å; A783-Y855 HydrophobicContact CB-CE2 4.15Å; A783-Y855 PolarHBondContact O-N 3.36Å; I784-Y855 CarbonylContact C-O 3.55Å; I784-Y855 VanDerWaalsContact CA-O 3.26Å; I784-Y855 WeakPolarHBondContact CA-O 3.43Å; T785-Y855 PolarHBondContact N-O 2.66Å; H828-Y855 HydrophobicContact CB-CD1 3.62Å; H828-Y855 HydrophobicContact CB-CE1 3.67Å; H828-Y855 AromaticContact CD2-CE1 3.69Å; H828-Y855 AromaticContact CE1-CE1 3.88Å; H828-Y855 AromaticContact CG-CD1 3.71Å; H828-Y855 AromaticContact CG-CE1 3.31Å; H828-Y855 AromaticContact ND1-CE1 3.47Å; H828-Y855 WeakPolarHBondContact ND1-CE1 3.46Å; F830-Y855 HydrophobicContact CE2-CG 4.3Å; F830-Y855 HydrophobicContact CZ-CD2 4.06Å; F830-Y855 HydrophobicContact CZ-CE2 4.47Å; F830-Y855 HydrophobicContact CZ-CG 4.09Å; R841-Y855 HydrophobicContact CB-CD1 4.1Å; R841-Y855 HydrophobicContact CB-CE1 4.01Å; R841-Y855 HydrophobicContact CG-CD1 4.36Å; R841-Y855 HydrophobicContact CG-CE1 3.99Å; P853-Y855 HydrophobicContact CG-CE2 4.5Å; P853-Y855 VanDerWaalsContact O-CE2 3.22Å; P853-Y855 WeakPolarHBondContact O-CE2 3.24Å; Y855-F857 PolarHBondContact O-N 3.21Å |
| 856 | S | 88.7 | Confident | 74.3 | Confident | 18 Ų | 18 | 65 Ų | 65 | 13% | 0.126 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 120.9 | 173.5 | -60.9 | 0 | 0 | 0 | 0 | 110.5 | T785 C839 K840 R842 | T785-S856 WeakPolarHBondContact O-CA 3.41Å; C839-S856 CarbonylContact C-O 3.6Å; C839-S856 VanDerWaalsContact CA-O 3.23Å; C839-S856 WeakPolarHBondContact CA-O 3.49Å; C839-S856 WeakPolarHBondContact CB-O 3.1Å; K840-S856 PolarHBondContact N-O 3.47Å; K840-S856 PolarHBondContact O-N 3.4Å; R842-S856 WeakPolarHBondContact CG-OG 3.39Å; R842-S856 PolarHBondContact NE-OG 2.93Å |
| 857 | F | 92.9 | Very high | 76.3 | Confident | 51 Ų | 51 | 62.8 Ų | 62.8 | 22% | 0.224 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.8 | 146.7 | 171.2 | 176.9 | -109.4 | 0 | 0 | 0 | 111.2 | I784 T785 G786 F787 L837 Y855 Q859 | I784-F857 HydrophobicContact CG2-CB 4.19Å; T785-F857 WeakPolarHBondContact O-CB 3.47Å; T785-F857 PolarHBondContact O-N 3.1Å; G786-F857 WeakPolarHBondContact O-CD1 3.24Å; F787-F857 HydrophobicContact CB-CB 4.21Å; F787-F857 HydrophobicContact CB-CG 4.2Å; F787-F857 HydrophobicContact CD2-CD1 4.11Å; F787-F857 AromaticContact CD2-CD2 3.79Å; F787-F857 HydrophobicContact CD2-CD2 3.79Å; F787-F857 HydrophobicContact CD2-CE1 4.02Å; F787-F857 AromaticContact CD2-CE2 3.69Å; F787-F857 HydrophobicContact CD2-CE2 3.69Å; F787-F857 AromaticContact CD2-CG 4Å; F787-F857 HydrophobicContact CD2-CG 4Å; F787-F857 AromaticContact CD2-CZ 3.81Å; F787-F857 HydrophobicContact CD2-CZ 3.81Å; F787-F857 HydrophobicContact CE2-CE2 4.08Å; F787-F857 HydrophobicContact CE2-CZ 4.09Å; L837-F857 HydrophobicContact CB-CE2 4.46Å; L837-F857 HydrophobicContact CD2-CE2 4.13Å; Y855-F857 PolarHBondContact O-N 3.21Å; F857-Q859 WeakPolarHBondContact CE2-O 3.33Å; F857-Q859 VanDerWaalsContact CZ-C 3.48Å |
| 858 | K | 91.6 | Very high | 78.7 | Confident | 85 Ų | 85 | 54 Ų | 54 | 37% | 0.37 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | -38.2 | 179.3 | -63.2 | -65.5 | 179.8 | -179.3 | 0 | 113.9 | E229 F838 K840 | E229-K858 IonicContact OE2-NZ 2.77Å; E229-K858 PolarHBondContact OE2-NZ 2.99Å; F838-K858 WeakPolarHBondContact O-CB 3.49Å; F838-K858 PolarHBondContact O-N 2.98Å; K840-K858 HydrophobicContact CB-CG 4.33Å |
| 859 | Q | 89.1 | Confident | 80.8 | Confident | 55 Ų | 55 | 53.9 Ų | 53.9 | 26% | 0.257 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 161.2 | 175.4 | 57.1 | 172.6 | 82 | 0 | 0 | 111.4 | F838 F857 Y890 | F838-Q859 HydrophobicContact CB-CG 3.56Å; F838-Q859 HydrophobicContact CD1-CG 4.42Å; F838-Q859 HydrophobicContact CD2-CG 3.85Å; F838-Q859 HydrophobicContact CG-CG 3.72Å; F838-Q859 PolarHBondContact N-O 2.84Å; F838-Q859 PolarHBondContact O-N 3.46Å; F857-Q859 WeakPolarHBondContact CE2-O 3.33Å; F857-Q859 VanDerWaalsContact CZ-C 3.48Å; Q859-Y890 PolarHBondContact NE2-OH 3.37Å |
| 860 | S | 92 | Very high | 82.9 | Confident | 51 Ų | 51 | 48.8 Ų | 48.8 | 36% | 0.357 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 138.5 | 173.1 | -179.5 | 0 | 0 | 0 | 0 | 110.1 | L837 | L837-S860 WeakPolarHBondContact CD2-OG 3.36Å |
| 861 | L | 90.9 | Very high | 84.6 | Confident | 10 Ų | 10 | 48.6 Ų | 48.6 | 5% | 0.052 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 124 | 169.4 | -60.1 | 179.6 | 0 | 0 | 0 | 109.3 | A835 L836 F838 M863 V866 I881 Y890 | A835-L861 CarbonylContact C-O 3.56Å; A835-L861 VanDerWaalsContact CA-O 3.3Å; A835-L861 WeakPolarHBondContact CA-O 3.49Å; L836-L861 HydrophobicContact CB-CB 4.5Å; L836-L861 PolarHBondContact N-O 3.18Å; L836-L861 PolarHBondContact O-N 2.87Å; F838-L861 HydrophobicContact CE2-CD1 3.64Å; F838-L861 HydrophobicContact CE2-CG 3.82Å; F838-L861 HydrophobicContact CZ-CD1 3.85Å; F838-L861 HydrophobicContact CZ-CG 4.48Å; L861-M863 PolarHBondContact O-N 3.19Å; L861-V866 HydrophobicContact CB-CG2 3.78Å; L861-V866 HydrophobicContact CD1-CG2 4.37Å; L861-I881 HydrophobicContact CD1-CG2 4.46Å; L861-Y890 HydrophobicContact CD1-CD2 3.99Å; L861-Y890 HydrophobicContact CD1-CE2 3.74Å; L861-Y890 HydrophobicContact CD2-CE2 4.25Å |
| 862 | S | 90.4 | Very high | 85.8 | Confident | 62 Ų | 62 | 44.8 Ų | 44.8 | 43% | 0.434 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 125.5 | 172.3 | -179.2 | 0 | 0 | 0 | 0 | 110.1 | N864 A865 V866 | S862-N864 PolarHBondContact O-N 3.41Å; S862-N864 VanDerWaalsContact O-N 3.13Å; S862-A865 PolarHBondContact O-N 3.24Å; S862-V866 WeakPolarHBondContact O-CG2 3.46Å; S862-V866 PolarHBondContact O-N 3.42Å |
| 863 | M | 90.9 | Very high | 86.4 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -60.9 | -26.8 | -176.5 | -72.7 | -62 | -67.4 | 0 | 0 | 112.6 | L831 K834 L836 L861 A865 V866 I907 V910 L911 Q914 | L831-M863 HydrophobicContact CD1-CE 4Å; L831-M863 HydrophobicContact CD1-SD 3.93Å; K834-M863 PolarHBondContact O-N 3.09Å; L836-M863 HydrophobicContact CB-SD 4.15Å; L861-M863 PolarHBondContact O-N 3.19Å; M863-A865 PolarHBondContact O-N 3.22Å; M863-A865 VanDerWaalsContact O-N 3.09Å; M863-V866 HydrophobicContact CE-CG1 4.34Å; M863-V866 PolarHBondContact O-N 2.93Å; M863-V866 HydrophobicContact SD-CB 4.07Å; M863-V866 HydrophobicContact SD-CG1 4.15Å; M863-V866 HydrophobicContact SD-CG2 4.05Å; M863-I907 HydrophobicContact CE-CG2 4.37Å; M863-V910 HydrophobicContact CB-CG1 4.3Å; M863-V910 HydrophobicContact CE-CB 4.06Å; M863-V910 HydrophobicContact CE-CG1 3.68Å; M863-V910 HydrophobicContact CG-CG1 4.3Å; M863-L911 HydrophobicContact CE-CD2 4.19Å; M863-L911 HydrophobicContact CE-CG 4.27Å; M863-Q914 VanDerWaalsContact CB-NE2 3.27Å |
| 864 | N | 86.1 | Confident | 86.6 | Confident | 129 Ų | 129 | 53.6 Ų | 53.6 | 69% | 0.69 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -57.3 | -22.9 | 173 | -61.2 | -4.5 | 0 | 0 | 0 | 113.6 | S862 Q914 | S862-N864 PolarHBondContact O-N 3.41Å; S862-N864 VanDerWaalsContact O-N 3.13Å; N864-Q914 PolarHBondContact OD1-OE1 2.92Å |
| 865 | A | 83.8 | Confident | 86.5 | Confident | 47 Ų | 47 | 54.5 Ų | 54.5 | 39% | 0.388 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -111.4 | -2.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S862 M863 | S862-A865 PolarHBondContact O-N 3.24Å; M863-A865 PolarHBondContact O-N 3.22Å; M863-A865 VanDerWaalsContact O-N 3.09Å |
| 866 | V | 88.8 | Confident | 86.5 | Confident | 12 Ų | 12 | 59.7 Ų | 59.7 | 7% | 0.073 | 34% | 0.34 | C | S | . | . | trans | -83.7 | 130.1 | -177.7 | 168.2 | 0 | 0 | 0 | 0 | 110.9 | L861 S862 M863 I881 L911 | L861-V866 HydrophobicContact CB-CG2 3.78Å; L861-V866 HydrophobicContact CD1-CG2 4.37Å; S862-V866 WeakPolarHBondContact O-CG2 3.46Å; S862-V866 PolarHBondContact O-N 3.42Å; M863-V866 HydrophobicContact CE-CG1 4.34Å; M863-V866 PolarHBondContact O-N 2.93Å; M863-V866 HydrophobicContact SD-CB 4.07Å; M863-V866 HydrophobicContact SD-CG1 4.15Å; M863-V866 HydrophobicContact SD-CG2 4.05Å; V866-I881 HydrophobicContact CG1-CG2 3.75Å; V866-L911 WeakPolarHBondContact O-CD2 3.41Å | ||
| 867 | G | 87.1 | Confident | 86.7 | Confident | 8 Ų | 8 | 62 Ų | 62 | 8% | 0.082 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 167.8 | 156.1 | 0 | 0 | 0 | 0 | 0 | 111 | W882 | G867-W882 PolarHBondContact N-O 3.21Å; G867-W882 PolarHBondContact O-N 2.86Å |
| 868 | F | 90.4 | Very high | 86.6 | Confident | 37 Ų | 37 | 61.4 Ų | 61.4 | 16% | 0.162 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 170.7 | 174.3 | 77.3 | -84.7 | 0 | 0 | 0 | 111.4 | E870 E880 W882 V904 I907 R908 L911 | F868-E870 HydrophobicContact CE2-CB 4.22Å; F868-E880 CarbonylContact C-O 3.55Å; F868-E880 WeakPolarHBondContact CA-O 3.38Å; F868-E880 VanDerWaalsContact CB-O 3.32Å; F868-E880 WeakPolarHBondContact CB-O 3.34Å; F868-W882 VanDerWaalsContact C-NE1 3.26Å; F868-W882 PolarHBondContact O-NE1 3.4Å; F868-V904 HydrophobicContact CE2-CG1 3.82Å; F868-V904 HydrophobicContact CZ-CG1 4.47Å; F868-I907 HydrophobicContact CB-CG2 4.2Å; F868-I907 HydrophobicContact CD1-CG2 3.63Å; F868-I907 HydrophobicContact CE1-CG2 4.23Å; F868-I907 HydrophobicContact CG-CG2 4.04Å; F868-R908 HydrophobicContact CE1-CB 4.19Å; F868-R908 HydrophobicContact CE1-CG 4.37Å; F868-R908 HydrophobicContact CZ-CB 4.02Å; F868-R908 HydrophobicContact CZ-CG 4.12Å; F868-L911 HydrophobicContact CD1-CD1 3.77Å; F868-L911 HydrophobicContact CE1-CD1 4.12Å |
| 869 | T | 88.7 | Confident | 86.8 | Confident | 46 Ų | 46 | 57.4 Ų | 57.4 | 28% | 0.282 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 120.2 | 168.5 | -68.4 | 0 | 0 | 0 | 0 | 109.5 | N871 E880 W882 R886 | T869-N871 VanDerWaalsContact C-N 3.29Å; T869-N871 PolarHBondContact O-N 3.01Å; T869-E880 PolarHBondContact N-O 2.71Å; T869-E880 PolarHBondContact O-N 2.87Å; T869-W882 PolarHBondContact OG1-NE1 2.92Å; T869-R886 PolarHBondContact OG1-NH2 2.93Å |
| 870 | E | 89.4 | Confident | 86.9 | Confident | 77 Ų | 77 | 56.4 Ų | 56.4 | 36% | 0.36 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -62.6 | -29.6 | -165 | 179.9 | 154.8 | -163.6 | 0 | 0 | 114.3 | F868 K900 V904 R908 | F868-E870 HydrophobicContact CE2-CB 4.22Å; E870-K900 WeakPolarHBondContact O-CE 3.47Å; E870-K900 PolarHBondContact O-NZ 3.47Å; E870-V904 HydrophobicContact CB-CG1 4.41Å; E870-V904 HydrophobicContact CG-CG1 3.96Å; E870-R908 IonicContact OE1-NH2 3.22Å; E870-R908 PolarHBondContact OE1-NH2 3.44Å; E870-R908 IonicContact OE2-CZ 2.77Å; E870-R908 IonicContact OE2-NH1 2.67Å; E870-R908 PolarHBondContact OE2-NH1 3.28Å; E870-R908 IonicContact OE2-NH2 2.78Å; E870-R908 PolarHBondContact OE2-NH2 2.86Å |
| 871 | N | 84.3 | Confident | 87 | Confident | 107 Ų | 107 | 54 Ų | 54 | 57% | 0.572 | 31% | 0.307 | S | S | * | . | trans | -132.4 | 110.9 | -178.7 | -67.9 | -52.4 | 0 | 0 | 0 | 111 | T869 K900 | T869-N871 VanDerWaalsContact C-N 3.29Å; T869-N871 PolarHBondContact O-N 3.01Å; N871-K900 PolarHBondContact OD1-NZ 3.46Å | ||
| 872 | A | 80.1 | Confident | 86.9 | Confident | 14 Ų | 14 | 56.4 Ų | 56.4 | 12% | 0.116 | 32% | 0.315 | C | S | . | . | trans | -81.7 | 162.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | K878 E880 I891 | A872-K878 HydrophobicContact CB-CB 3.8Å; A872-K878 PolarHBondContact N-O 2.75Å; A872-E880 HydrophobicContact CB-CG 4Å; A872-I891 HydrophobicContact CB-CG2 4.17Å | ||
| 873 | K | 72.9 | Confident | 86.7 | Confident | 205 Ų | 205 | 54.1 Ų | 54.1 | 89% | 0.891 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | 141.9 | 178.6 | -68.7 | -174.9 | 177.7 | -177.7 | 0 | 112.2 | ||
| 874 | G | 70.1 | Confident | 85.5 | Confident | 88 Ų | 88 | 57.2 Ų | 57.2 | 91% | 0.907 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.1 | -9.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 875 | D | 80.3 | Confident | 84.6 | Confident | 35 Ų | 35 | 56.6 Ų | 56.6 | 19% | 0.187 | 33% | 0.327 | C | S | . | . | trans | -154.5 | 125.7 | 177.2 | 178.4 | -1.2 | 0 | 0 | 0 | 109.8 | K877 K878 Q893 | D875-K877 PolarHBondContact O-N 3.32Å; D875-K877 WeakPolarHBondContact OD1-CB 3.48Å; D875-K877 PolarHBondContact OD1-N 3.42Å; D875-K878 HydrophobicContact CB-CB 4.34Å; D875-K878 HydrophobicContact CB-CD 3.8Å; D875-K878 HydrophobicContact CB-CG 3.8Å; D875-K878 PolarHBondContact O-N 3.43Å; D875-K878 VanDerWaalsContact O-N 3.14Å; D875-K878 WeakPolarHBondContact OD2-CE 3.2Å; D875-Q893 PolarHBondContact OD2-NE2 3.08Å | ||
| 876 | N | 88.5 | Confident | 84.3 | Confident | 115 Ų | 115 | 57.4 Ų | 57.4 | 62% | 0.615 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -17.1 | -179.6 | 69.8 | -13.8 | 0 | 0 | 0 | 112.9 | K878 K900 | N876-K878 VanDerWaalsContact C-N 3.32Å; N876-K900 WeakPolarHBondContact O-CD 3.31Å; N876-K900 WeakPolarHBondContact O-CE 3.5Å; N876-K900 PolarHBondContact O-NZ 2.89Å |
| 877 | K | 91.6 | Very high | 83.6 | Confident | 67 Ų | 67 | 61.9 Ų | 61.9 | 29% | 0.291 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -1.9 | 174.4 | -54.7 | -177.4 | -67.8 | 178.1 | 0 | 113.9 | D875 A894 P895 A897 | D875-K877 PolarHBondContact O-N 3.32Å; D875-K877 WeakPolarHBondContact OD1-CB 3.48Å; D875-K877 PolarHBondContact OD1-N 3.42Å; K877-A894 PolarHBondContact O-N 3.07Å; K877-P895 WeakPolarHBondContact CD-O 3.48Å; K877-P895 PolarHBondContact NZ-O 2.97Å; K877-A897 HydrophobicContact CG-CB 4.36Å |
| 878 | K | 92.6 | Very high | 83.3 | Confident | 39 Ų | 39 | 64.4 Ų | 64.4 | 17% | 0.17 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 141.1 | 179.3 | -68.1 | -176.5 | -167.3 | -170 | 0 | 113.5 | W806 A872 D875 N876 I891 V892 Q893 K900 | W806-K878 HydrophobicContact CZ3-CD 4.25Å; A872-K878 HydrophobicContact CB-CB 3.8Å; A872-K878 PolarHBondContact N-O 2.75Å; D875-K878 HydrophobicContact CB-CB 4.34Å; D875-K878 HydrophobicContact CB-CD 3.8Å; D875-K878 HydrophobicContact CB-CG 3.8Å; D875-K878 PolarHBondContact O-N 3.43Å; D875-K878 VanDerWaalsContact O-N 3.14Å; D875-K878 WeakPolarHBondContact OD2-CE 3.2Å; N876-K878 VanDerWaalsContact C-N 3.32Å; K878-I891 HydrophobicContact CB-CG2 4.41Å; K878-I891 HydrophobicContact CD-CG2 4.11Å; K878-V892 VanDerWaalsContact CA-O 3.32Å; K878-V892 WeakPolarHBondContact CA-O 3.39Å; K878-Q893 HydrophobicContact CD-CB 4.37Å; K878-Q893 HydrophobicContact CG-CB 3.72Å; K878-Q893 HydrophobicContact CG-CG 4.06Å; K878-K900 WeakPolarHBondContact O-CE 3.38Å; K878-K900 PolarHBondContact O-NZ 2.99Å |
| 879 | F | 94 | Very high | 83.1 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 166.2 | 169.1 | 66.8 | -75.3 | 0 | 0 | 0 | 109.5 | I881 V892 K900 W903 V904 I907 | F879-I881 HydrophobicContact CD2-CG1 4.02Å; F879-I881 HydrophobicContact CE2-CD1 3.72Å; F879-I881 HydrophobicContact CE2-CG1 3.66Å; F879-I881 HydrophobicContact CZ-CD1 4.36Å; F879-V892 HydrophobicContact CD1-CB 4.09Å; F879-V892 HydrophobicContact CD1-CG1 4.35Å; F879-V892 WeakPolarHBondContact CD1-O 3.22Å; F879-V892 HydrophobicContact CE1-CB 3.72Å; F879-V892 HydrophobicContact CE1-CG1 3.54Å; F879-V892 HydrophobicContact CE2-CB 4.25Å; F879-V892 HydrophobicContact CZ-CB 3.81Å; F879-V892 HydrophobicContact CZ-CG1 3.64Å; F879-V892 HydrophobicContact CZ-CG2 4.46Å; F879-V892 PolarHBondContact N-O 3.37Å; F879-V892 PolarHBondContact O-N 2.84Å; F879-K900 HydrophobicContact CB-CD 4.46Å; F879-K900 HydrophobicContact CB-CG 4.48Å; F879-K900 HydrophobicContact CD1-CB 4.43Å; F879-K900 HydrophobicContact CD1-CD 4.44Å; F879-K900 HydrophobicContact CD1-CG 3.94Å; F879-W903 HydrophobicContact CZ-CB 4.12Å; F879-V904 HydrophobicContact CB-CG2 4.01Å; F879-V904 HydrophobicContact CD2-CG2 4.1Å; F879-V904 HydrophobicContact CG-CG2 4.01Å; F879-I907 HydrophobicContact CE2-CD1 3.95Å |
| 880 | E | 92.9 | Very high | 83.1 | Confident | 34 Ų | 34 | 61.1 Ų | 61.1 | 16% | 0.159 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 139 | 177.1 | -50.9 | 174.6 | 179 | 0 | 0 | 109.6 | F868 T869 A872 R886 V889 Y890 | F868-E880 CarbonylContact C-O 3.55Å; F868-E880 WeakPolarHBondContact CA-O 3.38Å; F868-E880 VanDerWaalsContact CB-O 3.32Å; F868-E880 WeakPolarHBondContact CB-O 3.34Å; T869-E880 PolarHBondContact N-O 2.71Å; T869-E880 PolarHBondContact O-N 2.87Å; A872-E880 HydrophobicContact CB-CG 4Å; E880-R886 IonicContact OE2-CZ 2.65Å; E880-R886 IonicContact OE2-NH1 3.51Å; E880-R886 PolarHBondContact OE2-NH1 2.74Å; E880-R886 IonicContact OE2-NH2 3.69Å; E880-R886 PolarHBondContact OE2-NH2 2.77Å; E880-V889 HydrophobicContact CB-CG1 4.17Å; E880-V889 HydrophobicContact CG-CG1 4.49Å; E880-Y890 CarbonylContact C-O 3.54Å; E880-Y890 WeakPolarHBondContact CA-O 3.49Å |
| 881 | I | 92.8 | Very high | 83.3 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 139.3 | 165.4 | -49.6 | 179.9 | 0 | 0 | 0 | 106.5 | L836 L861 V866 F879 Y890 V892 I907 | L836-I881 HydrophobicContact CD2-CD1 3.54Å; L836-I881 HydrophobicContact CD2-CG2 4.03Å; L861-I881 HydrophobicContact CD1-CG2 4.46Å; V866-I881 HydrophobicContact CG1-CG2 3.75Å; F879-I881 HydrophobicContact CD2-CG1 4.02Å; F879-I881 HydrophobicContact CE2-CD1 3.72Å; F879-I881 HydrophobicContact CE2-CG1 3.66Å; F879-I881 HydrophobicContact CZ-CD1 4.36Å; I881-Y890 PolarHBondContact N-O 3.27Å; I881-Y890 PolarHBondContact O-N 3.08Å; I881-V892 HydrophobicContact CD1-CG2 3.92Å; I881-V892 HydrophobicContact CG1-CG2 4.08Å; I881-I907 HydrophobicContact CD1-CD1 4.12Å |
| 882 | W | 89.8 | Confident | 83.7 | Confident | 62 Ų | 62 | 54.2 Ų | 54.2 | 24% | 0.235 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 148.1 | -175.8 | 45.3 | -97.2 | 0 | 0 | 0 | 112.8 | G867 F868 T869 R886 E888 V889 | G867-W882 PolarHBondContact N-O 3.21Å; G867-W882 PolarHBondContact O-N 2.86Å; F868-W882 VanDerWaalsContact C-NE1 3.26Å; F868-W882 PolarHBondContact O-NE1 3.4Å; T869-W882 PolarHBondContact OG1-NE1 2.92Å; W882-R886 HydrophobicContact CB-CB 4.49Å; W882-R886 HydrophobicContact CB-CG 3.84Å; W882-R886 HydrophobicContact CD2-CG 3.44Å; W882-R886 VanDerWaalsContact CD2-CG 3.44Å; W882-R886 HydrophobicContact CE3-CG 3.74Å; W882-R886 HydrophobicContact CG-CG 3.51Å; W882-R886 HydrophobicContact CZ3-CG 4.46Å; W882-E888 VanDerWaalsContact CA-O 3.25Å; W882-E888 WeakPolarHBondContact CA-O 3.33Å; W882-E888 WeakPolarHBondContact CB-O 3.41Å; W882-V889 HydrophobicContact CB-CB 4.43Å; W882-V889 HydrophobicContact CB-CG1 4.43Å; W882-V889 HydrophobicContact CB-CG2 4.07Å |
| 883 | S | 84.9 | Confident | 84.3 | Confident | 13 Ų | 13 | 55.8 Ų | 55.8 | 9% | 0.091 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 166.9 | 178.6 | -167.5 | 0 | 0 | 0 | 0 | 110.9 | S885 R886 E887 E888 | S883-S885 PolarHBondContact O-N 3.22Å; S883-R886 WeakPolarHBondContact O-CA 3.22Å; S883-R886 PolarHBondContact O-N 2.88Å; S883-E887 PolarHBondContact O-N 3.05Å; S883-E888 PolarHBondContact N-O 3.38Å; S883-E888 VanDerWaalsContact N-O 3.12Å |
| 884 | S | 65.6 | Low | 85.3 | Confident | 66 Ų | 66 | 46.1 Ų | 46.1 | 46% | 0.462 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | 36.9 | 65.4 | 167.4 | -64 | 0 | 0 | 0 | 0 | 114.6 | R886 E887 | S884-R886 VanDerWaalsContact C-N 3.26Å; S884-R886 PolarHBondContact O-N 3.39Å; S884-E887 WeakPolarHBondContact O-CB 3.5Å; S884-E887 WeakPolarHBondContact O-CG 3.47Å; S884-E887 PolarHBondContact O-N 3.3Å; S884-E887 VanDerWaalsContact O-N 3.09Å |
| 885 | S | 68.3 | Low | 86.3 | Confident | 117 Ų | 117 | 45.8 Ų | 45.8 | 82% | 0.818 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | 57.3 | 28.5 | 179.2 | -56.6 | 0 | 0 | 0 | 0 | 116 | S883 | S883-S885 PolarHBondContact O-N 3.22Š|
| 886 | R | 77.5 | Confident | 86.8 | Confident | 64 Ų | 64 | 46.8 Ų | 46.8 | 24% | 0.242 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | 67.4 | 37.9 | -173.1 | -61.9 | 170.7 | 158.2 | -97.2 | 10.4 | 113.9 | T869 E880 W882 S883 S884 V889 | T869-R886 PolarHBondContact OG1-NH2 2.93Å; E880-R886 IonicContact OE2-CZ 2.65Å; E880-R886 IonicContact OE2-NH1 3.51Å; E880-R886 PolarHBondContact OE2-NH1 2.74Å; E880-R886 IonicContact OE2-NH2 3.69Å; E880-R886 PolarHBondContact OE2-NH2 2.77Å; W882-R886 HydrophobicContact CB-CB 4.49Å; W882-R886 HydrophobicContact CB-CG 3.84Å; W882-R886 HydrophobicContact CD2-CG 3.44Å; W882-R886 VanDerWaalsContact CD2-CG 3.44Å; W882-R886 HydrophobicContact CE3-CG 3.74Å; W882-R886 HydrophobicContact CG-CG 3.51Å; W882-R886 HydrophobicContact CZ3-CG 4.46Å; S883-R886 WeakPolarHBondContact O-CA 3.22Å; S883-R886 PolarHBondContact O-N 2.88Å; S884-R886 VanDerWaalsContact C-N 3.26Å; S884-R886 PolarHBondContact O-N 3.39Å; R886-V889 HydrophobicContact CB-CG2 3.92Å; R886-V889 HydrophobicContact CG-CG2 4.25Å |
| 887 | E | 73.9 | Confident | 86.9 | Confident | 105 Ų | 105 | 42.5 Ų | 42.5 | 49% | 0.491 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -34.8 | 163.7 | -73.2 | -175.6 | 148.2 | 0 | 0 | 111.3 | H809 K810 K811 S883 S884 | H809-E887 WeakPolarHBondContact CA-O 3.47Å; K810-E887 PolarHBondContact N-O 3.44Å; K811-E887 IonicContact NZ-OE1 2.71Å; S883-E887 PolarHBondContact O-N 3.05Å; S884-E887 WeakPolarHBondContact O-CB 3.5Å; S884-E887 WeakPolarHBondContact O-CG 3.47Å; S884-E887 PolarHBondContact O-N 3.3Å; S884-E887 VanDerWaalsContact O-N 3.09Å |
| 888 | E | 79.8 | Confident | 86.9 | Confident | 62 Ų | 62 | 45.2 Ų | 45.2 | 29% | 0.29 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 133.6 | 166 | -50.9 | -167.7 | 122.7 | 0 | 0 | 110.3 | H809 W882 S883 Y890 | H809-E888 IonicContact CE1-OE1 2.69Å; H809-E888 PolarHBondContact CE1-OE1 3.48Å; W882-E888 VanDerWaalsContact CA-O 3.25Å; W882-E888 WeakPolarHBondContact CA-O 3.33Å; W882-E888 WeakPolarHBondContact CB-O 3.41Å; S883-E888 PolarHBondContact N-O 3.38Å; S883-E888 VanDerWaalsContact N-O 3.12Å; E888-Y890 HydrophobicContact CB-CE2 3.95Å; E888-Y890 PolarHBondContact OE2-OH 3.02Å |
| 889 | V | 86.8 | Confident | 86.8 | Confident | 5 Ų | 5 | 45.8 Ų | 45.8 | 3% | 0.03 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 124.5 | 173.9 | -173.3 | 0 | 0 | 0 | 0 | 109.5 | T807 E808 E880 W882 R886 | T807-V889 CarbonylContact C-O 3.54Å; T807-V889 WeakPolarHBondContact CA-O 3.46Å; E808-V889 HydrophobicContact CB-CB 4.38Å; E808-V889 PolarHBondContact N-O 3.04Å; E808-V889 PolarHBondContact O-N 3.02Å; E880-V889 HydrophobicContact CB-CG1 4.17Å; E880-V889 HydrophobicContact CG-CG1 4.49Å; W882-V889 HydrophobicContact CB-CB 4.43Å; W882-V889 HydrophobicContact CB-CG1 4.43Å; W882-V889 HydrophobicContact CB-CG2 4.07Å; R886-V889 HydrophobicContact CB-CG2 3.92Å; R886-V889 HydrophobicContact CG-CG2 4.25Å |
| 890 | Y | 90 | Very high | 86.8 | Confident | 8 Ų | 8 | 46.2 Ų | 46.2 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 108.7 | 175.7 | -57.6 | -88.6 | 0 | 0 | 0 | 108.4 | V805 W806 T807 F838 Q859 L861 E880 I881 E888 | V805-Y890 HydrophobicContact CG1-CD1 4.23Å; W806-Y890 CarbonylContact O-C 3.55Å; W806-Y890 WeakPolarHBondContact O-CA 3.3Å; T807-Y890 HydrophobicContact CG2-CD1 3.73Å; T807-Y890 HydrophobicContact CG2-CE1 3.7Å; F838-Y890 AromaticContact CE1-CD1 3.83Å; F838-Y890 HydrophobicContact CE1-CD1 3.83Å; F838-Y890 HydrophobicContact CE1-CE1 4.3Å; F838-Y890 HydrophobicContact CE1-CG 4.08Å; F838-Y890 HydrophobicContact CZ-CD1 4.18Å; F838-Y890 HydrophobicContact CZ-CD2 4.31Å; F838-Y890 HydrophobicContact CZ-CG 4.08Å; Q859-Y890 PolarHBondContact NE2-OH 3.37Å; L861-Y890 HydrophobicContact CD1-CD2 3.99Å; L861-Y890 HydrophobicContact CD1-CE2 3.74Å; L861-Y890 HydrophobicContact CD2-CE2 4.25Å; E880-Y890 CarbonylContact C-O 3.54Å; E880-Y890 WeakPolarHBondContact CA-O 3.49Å; I881-Y890 PolarHBondContact N-O 3.27Å; I881-Y890 PolarHBondContact O-N 3.08Å; E888-Y890 HydrophobicContact CB-CE2 3.95Å; E888-Y890 PolarHBondContact OE2-OH 3.02Å |
| 891 | I | 91.6 | Very high | 86.8 | Confident | 40 Ų | 40 | 48 Ų | 48 | 21% | 0.205 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 122.2 | 171.3 | -52.2 | 174.4 | 0 | 0 | 0 | 106.8 | V805 W806 A872 K878 | V805-I891 CarbonylContact C-O 3.55Å; V805-I891 VanDerWaalsContact CA-O 3.28Å; V805-I891 WeakPolarHBondContact CA-O 3.34Å; W806-I891 HydrophobicContact CB-CB 4.3Å; W806-I891 HydrophobicContact CE3-CB 4.26Å; W806-I891 HydrophobicContact CE3-CG2 4.2Å; W806-I891 PolarHBondContact N-O 2.89Å; W806-I891 PolarHBondContact O-N 3.29Å; A872-I891 HydrophobicContact CB-CG2 4.17Å; K878-I891 HydrophobicContact CB-CG2 4.41Å; K878-I891 HydrophobicContact CD-CG2 4.11Å |
| 892 | V | 93.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 120.7 | -175.3 | -175.9 | 0 | 0 | 0 | 0 | 109.1 | F803 V805 L829 K878 F879 I881 | F803-V892 HydrophobicContact CB-CG1 3.78Å; F803-V892 HydrophobicContact CD1-CG1 3.42Å; F803-V892 VanDerWaalsContact CD1-CG1 3.42Å; F803-V892 HydrophobicContact CE1-CG1 4.17Å; F803-V892 HydrophobicContact CG-CG1 3.67Å; V805-V892 HydrophobicContact CG1-CG2 4.48Å; V805-V892 HydrophobicContact CG2-CG1 4.47Å; V805-V892 HydrophobicContact CG2-CG2 4.32Å; L829-V892 HydrophobicContact CD1-CG1 4.1Å; L829-V892 HydrophobicContact CD1-CG2 4.46Å; K878-V892 VanDerWaalsContact CA-O 3.32Å; K878-V892 WeakPolarHBondContact CA-O 3.39Å; F879-V892 HydrophobicContact CD1-CB 4.09Å; F879-V892 HydrophobicContact CD1-CG1 4.35Å; F879-V892 WeakPolarHBondContact CD1-O 3.22Å; F879-V892 HydrophobicContact CE1-CB 3.72Å; F879-V892 HydrophobicContact CE1-CG1 3.54Å; F879-V892 HydrophobicContact CE2-CB 4.25Å; F879-V892 HydrophobicContact CZ-CB 3.81Å; F879-V892 HydrophobicContact CZ-CG1 3.64Å; F879-V892 HydrophobicContact CZ-CG2 4.46Å; F879-V892 PolarHBondContact N-O 3.37Å; F879-V892 PolarHBondContact O-N 2.84Å; I881-V892 HydrophobicContact CD1-CG2 3.92Å; I881-V892 HydrophobicContact CG1-CG2 4.08Å |
| 893 | Q | 93.8 | Very high | 86.9 | Confident | 46 Ų | 46 | 48.4 Ų | 48.4 | 22% | 0.215 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 117.8 | 172.5 | 178.5 | -175.4 | 53 | 0 | 0 | 109.6 | S804 W806 D875 K878 | S804-Q893 PolarHBondContact N-O 3.22Å; S804-Q893 PolarHBondContact O-N 3.38Å; W806-Q893 HydrophobicContact CH2-CB 3.98Å; W806-Q893 HydrophobicContact CZ3-CB 3.63Å; D875-Q893 PolarHBondContact OD2-NE2 3.08Å; K878-Q893 HydrophobicContact CD-CB 4.37Å; K878-Q893 HydrophobicContact CG-CB 3.72Å; K878-Q893 HydrophobicContact CG-CG 4.06Å |
| 894 | A | 93.8 | Very high | 87.4 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 2% | 0.017 | 27% | 0.27 | C | S | . | . | trans | -76.1 | 155.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F803 K877 T896 V899 K900 | F803-A894 HydrophobicContact CD1-CB 4.31Å; F803-A894 HydrophobicContact CE1-CB 3.89Å; K877-A894 PolarHBondContact O-N 3.07Å; A894-T896 VanDerWaalsContact C-N 3.27Å; A894-T896 WeakPolarHBondContact CB-O 3.43Å; A894-T896 PolarHBondContact O-N 3.16Å; A894-V899 HydrophobicContact CB-CB 4.18Å; A894-V899 HydrophobicContact CB-CG1 4.13Å; A894-K900 HydrophobicContact CB-CB 3.74Å | ||
| 895 | P | 90.3 | Very high | 88.6 | Confident | 81 Ų | 81 | 47.9 Ų | 47.9 | 53% | 0.526 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -55.8 | -42.3 | 173 | -26 | 35.2 | 0 | 0 | 0 | 112.6 | K877 | K877-P895 WeakPolarHBondContact CD-O 3.48Å; K877-P895 PolarHBondContact NZ-O 2.97Å |
| 896 | T | 91.3 | Very high | 89.8 | Confident | 56 Ų | 56 | 44.3 Ų | 44.3 | 34% | 0.344 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -134.4 | 167.3 | 179.8 | 84.2 | 0 | 0 | 0 | 0 | 111.8 | A894 E898 V899 K900 | A894-T896 VanDerWaalsContact C-N 3.27Å; A894-T896 WeakPolarHBondContact CB-O 3.43Å; A894-T896 PolarHBondContact O-N 3.16Å; T896-E898 VanDerWaalsContact C-N 3.33Å; T896-E898 WeakPolarHBondContact CB-OE2 3.22Å; T896-E898 PolarHBondContact OG1-N 3Å; T896-E898 PolarHBondContact OG1-OE2 3.43Å; T896-V899 PolarHBondContact OG1-N 3.12Å; T896-K900 PolarHBondContact O-N 3.49Å |
| 897 | A | 90.3 | Very high | 90.5 | Very high | 25 Ų | 25 | 41.3 Ų | 41.3 | 21% | 0.207 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -71.9 | -29 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K877 T901 | K877-A897 HydrophobicContact CG-CB 4.36Å; A897-T901 WeakPolarHBondContact O-CB 3.31Å; A897-T901 PolarHBondContact O-N 3.29Å; A897-T901 PolarHBondContact O-OG1 2.83Å |
| 898 | E | 90.6 | Very high | 91.5 | Very high | 125 Ų | 125 | 40.7 Ų | 40.7 | 58% | 0.584 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -66.7 | -48.2 | 177 | -54.3 | 67.2 | -139.6 | 0 | 0 | 109.5 | T896 K900 T901 T902 | T896-E898 VanDerWaalsContact C-N 3.33Å; T896-E898 WeakPolarHBondContact CB-OE2 3.22Å; T896-E898 PolarHBondContact OG1-N 3Å; T896-E898 PolarHBondContact OG1-OE2 3.43Å; E898-K900 VanDerWaalsContact C-N 3.34Å; E898-K900 PolarHBondContact O-N 2.95Å; E898-T901 WeakPolarHBondContact O-CA 3.45Å; E898-T901 WeakPolarHBondContact O-CB 3.34Å; E898-T901 PolarHBondContact O-N 3.08Å; E898-T902 PolarHBondContact O-N 2.94Å; E898-T902 PolarHBondContact O-OG1 3.1Å; E898-T902 VanDerWaalsContact O-OG1 3.12Å |
| 899 | V | 90.9 | Very high | 92.1 | Very high | 50 Ų | 50 | 43 Ų | 43 | 30% | 0.303 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.1 | -43.9 | 176.9 | 176.2 | 0 | 0 | 0 | 0 | 111.3 | F803 A894 T896 T901 T902 W903 | F803-V899 HydrophobicContact CE1-CG1 4.33Å; F803-V899 HydrophobicContact CZ-CG1 4.33Å; A894-V899 HydrophobicContact CB-CB 4.18Å; A894-V899 HydrophobicContact CB-CG1 4.13Å; T896-V899 PolarHBondContact OG1-N 3.12Å; V899-T901 VanDerWaalsContact C-N 3.31Å; V899-T901 PolarHBondContact O-N 3.5Å; V899-T902 PolarHBondContact O-N 2.96Å; V899-W903 VanDerWaalsContact O-CD1 3.31Å; V899-W903 PolarHBondContact O-N 3.45Å |
| 900 | K | 94.3 | Very high | 92.3 | Very high | 9 Ų | 9 | 43.4 Ų | 43.4 | 4% | 0.039 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -55.9 | -47.6 | 171.2 | 163 | -177.6 | 159 | 176.1 | 0 | 111 | E870 N871 N876 K878 F879 A894 T896 E898 T902 W903 V904 | E870-K900 WeakPolarHBondContact O-CE 3.47Å; E870-K900 PolarHBondContact O-NZ 3.47Å; N871-K900 PolarHBondContact OD1-NZ 3.46Å; N876-K900 WeakPolarHBondContact O-CD 3.31Å; N876-K900 WeakPolarHBondContact O-CE 3.5Å; N876-K900 PolarHBondContact O-NZ 2.89Å; K878-K900 WeakPolarHBondContact O-CE 3.38Å; K878-K900 PolarHBondContact O-NZ 2.99Å; F879-K900 HydrophobicContact CB-CD 4.46Å; F879-K900 HydrophobicContact CB-CG 4.48Å; F879-K900 HydrophobicContact CD1-CB 4.43Å; F879-K900 HydrophobicContact CD1-CD 4.44Å; F879-K900 HydrophobicContact CD1-CG 3.94Å; A894-K900 HydrophobicContact CB-CB 3.74Å; T896-K900 PolarHBondContact O-N 3.49Å; E898-K900 VanDerWaalsContact C-N 3.34Å; E898-K900 PolarHBondContact O-N 2.95Å; K900-T902 PolarHBondContact O-N 2.88Å; K900-W903 PolarHBondContact O-N 3.35Å; K900-V904 HydrophobicContact CG-CG2 4.11Å; K900-V904 WeakPolarHBondContact O-CB 3.46Å; K900-V904 WeakPolarHBondContact O-CG2 3.16Å; K900-V904 PolarHBondContact O-N 3.44Å |
| 901 | T | 93 | Very high | 92.3 | Very high | 71 Ų | 71 | 45 Ų | 45 | 44% | 0.436 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.1 | -41 | -174.8 | -57.5 | 0 | 0 | 0 | 0 | 111.1 | A897 E898 V899 N905 | A897-T901 WeakPolarHBondContact O-CB 3.31Å; A897-T901 PolarHBondContact O-N 3.29Å; A897-T901 PolarHBondContact O-OG1 2.83Å; E898-T901 WeakPolarHBondContact O-CA 3.45Å; E898-T901 WeakPolarHBondContact O-CB 3.34Å; E898-T901 PolarHBondContact O-N 3.08Å; V899-T901 VanDerWaalsContact C-N 3.31Å; V899-T901 PolarHBondContact O-N 3.5Å; T901-N905 WeakPolarHBondContact O-CB 3.31Å; T901-N905 VanDerWaalsContact O-CG 3.23Å; T901-N905 PolarHBondContact O-N 3.34Å; T901-N905 PolarHBondContact O-ND2 3.1Å |
| 902 | T | 91 | Very high | 92.2 | Very high | 69 Ų | 69 | 46 Ų | 46 | 42% | 0.423 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.3 | -49.1 | 172.5 | -44.1 | 0 | 0 | 0 | 0 | 111.3 | M799 E898 V899 K900 V904 N905 E906 | M799-T902 HydrophobicContact CE-CG2 3.44Å; M799-T902 VanDerWaalsContact CE-CG2 3.44Å; M799-T902 HydrophobicContact SD-CG2 4.04Å; E898-T902 PolarHBondContact O-N 2.94Å; E898-T902 PolarHBondContact O-OG1 3.1Å; E898-T902 VanDerWaalsContact O-OG1 3.12Å; V899-T902 PolarHBondContact O-N 2.96Å; K900-T902 PolarHBondContact O-N 2.88Å; T902-V904 PolarHBondContact O-N 2.87Å; T902-N905 PolarHBondContact O-N 3.14Å; T902-E906 PolarHBondContact O-N 3.41Å |
| 903 | W | 94.3 | Very high | 91.9 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.008 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 179.5 | -90.1 | 74.3 | 0 | 0 | 0 | 113.4 | M799 F803 L829 L831 L836 F879 V899 K900 N905 E906 I907 | M799-W903 HydrophobicContact CB-CD2 4.42Å; M799-W903 HydrophobicContact CB-CH2 4.14Å; M799-W903 HydrophobicContact CB-CZ2 3.55Å; M799-W903 HydrophobicContact CE-CG 4.19Å; M799-W903 VanDerWaalsContact CE-NE1 3.35Å; M799-W903 HydrophobicContact SD-CB 4.4Å; M799-W903 VanDerWaalsContact SD-CD1 3.6Å; M799-W903 HydrophobicContact SD-CD2 4.07Å; M799-W903 HydrophobicContact SD-CG 3.82Å; F803-W903 HydrophobicContact CE2-CD2 4.21Å; F803-W903 AromaticContact CE2-CE2 3.73Å; F803-W903 HydrophobicContact CE2-CH2 4.11Å; F803-W903 AromaticContact CE2-CZ2 3.68Å; F803-W903 HydrophobicContact CE2-CZ2 3.68Å; F803-W903 AromaticContact CZ-CD1 3.84Å; F803-W903 AromaticContact CZ-CD2 3.74Å; F803-W903 HydrophobicContact CZ-CD2 3.74Å; F803-W903 AromaticContact CZ-CE2 3.48Å; F803-W903 VanDerWaalsContact CZ-CE2 3.48Å; F803-W903 HydrophobicContact CZ-CE3 4.39Å; F803-W903 AromaticContact CZ-CG 3.99Å; F803-W903 HydrophobicContact CZ-CG 3.99Å; F803-W903 AromaticContact CZ-CZ2 3.96Å; F803-W903 HydrophobicContact CZ-CZ2 3.96Å; F803-W903 AromaticContact CZ-NE1 3.53Å; L829-W903 HydrophobicContact CB-CH2 3.62Å; L829-W903 HydrophobicContact CB-CZ3 3.98Å; L829-W903 HydrophobicContact CD1-CZ3 4.34Å; L831-W903 HydrophobicContact CB-CH2 3.98Å; L831-W903 HydrophobicContact CB-CZ3 3.87Å; L836-W903 HydrophobicContact CD1-CZ3 4Å; F879-W903 HydrophobicContact CZ-CB 4.12Å; V899-W903 VanDerWaalsContact O-CD1 3.31Å; V899-W903 PolarHBondContact O-N 3.45Å; K900-W903 PolarHBondContact O-N 3.35Å; W903-N905 VanDerWaalsContact C-N 3.31Å; W903-N905 PolarHBondContact O-N 3.29Å; W903-E906 PolarHBondContact O-N 3.47Å; W903-I907 HydrophobicContact CE3-CD1 4.31Å; W903-I907 WeakPolarHBondContact O-CB 3.42Å; W903-I907 VanDerWaalsContact O-CG1 3.28Å; W903-I907 WeakPolarHBondContact O-CG1 3.41Å; W903-I907 PolarHBondContact O-N 3.21Å |
| 904 | V | 94.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.4 | -41.9 | 174.8 | 161.9 | 0 | 0 | 0 | 0 | 111.1 | F868 E870 F879 K900 T902 R908 | F868-V904 HydrophobicContact CE2-CG1 3.82Å; F868-V904 HydrophobicContact CZ-CG1 4.47Å; E870-V904 HydrophobicContact CB-CG1 4.41Å; E870-V904 HydrophobicContact CG-CG1 3.96Å; F879-V904 HydrophobicContact CB-CG2 4.01Å; F879-V904 HydrophobicContact CD2-CG2 4.1Å; F879-V904 HydrophobicContact CG-CG2 4.01Å; K900-V904 HydrophobicContact CG-CG2 4.11Å; K900-V904 WeakPolarHBondContact O-CB 3.46Å; K900-V904 WeakPolarHBondContact O-CG2 3.16Å; K900-V904 PolarHBondContact O-N 3.44Å; T902-V904 PolarHBondContact O-N 2.87Å; V904-R908 VanDerWaalsContact O-CB 3.26Å; V904-R908 WeakPolarHBondContact O-CB 3.4Å; V904-R908 PolarHBondContact O-N 2.94Å |
| 905 | N | 92.5 | Very high | 90.9 | Very high | 68 Ų | 68 | 55.5 Ų | 55.5 | 36% | 0.364 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -71 | -37.4 | 179.5 | -73.1 | -20.7 | 0 | 0 | 0 | 112.6 | T901 T902 W903 R908 K909 | T901-N905 WeakPolarHBondContact O-CB 3.31Å; T901-N905 VanDerWaalsContact O-CG 3.23Å; T901-N905 PolarHBondContact O-N 3.34Å; T901-N905 PolarHBondContact O-ND2 3.1Å; T902-N905 PolarHBondContact O-N 3.14Å; W903-N905 VanDerWaalsContact C-N 3.31Å; W903-N905 PolarHBondContact O-N 3.29Å; N905-R908 WeakPolarHBondContact O-CB 3.37Å; N905-R908 PolarHBondContact O-N 3.17Å; N905-K909 WeakPolarHBondContact O-CG 3.49Å; N905-K909 PolarHBondContact O-N 3.31Å |
| 906 | E | 92.1 | Very high | 90.8 | Very high | 41 Ų | 41 | 56.3 Ų | 56.3 | 19% | 0.192 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -71 | -42.3 | 177.9 | -138.5 | 62.6 | -148.6 | 0 | 0 | 112 | L798 M799 L831 T902 W903 R908 K909 V910 | L798-E906 HydrophobicContact CB-CG 4.22Å; M799-E906 HydrophobicContact CG-CB 4.2Å; M799-E906 HydrophobicContact CG-CG 4.09Å; M799-E906 HydrophobicContact SD-CB 3.76Å; M799-E906 HydrophobicContact SD-CG 4.24Å; L831-E906 HydrophobicContact CD2-CB 4.03Å; L831-E906 HydrophobicContact CD2-CG 4.43Å; T902-E906 PolarHBondContact O-N 3.41Å; W903-E906 PolarHBondContact O-N 3.47Å; E906-R908 VanDerWaalsContact C-N 3.27Å; E906-R908 PolarHBondContact O-N 3.31Å; E906-K909 WeakPolarHBondContact O-CB 3.38Å; E906-K909 PolarHBondContact O-N 3.31Å; E906-K909 WeakPolarHBondContact OE1-CD 3.12Å; E906-K909 IonicContact OE1-NZ 3.79Å; E906-K909 PolarHBondContact OE1-NZ 2.87Å; E906-K909 IonicContact OE2-NZ 3.37Å; E906-K909 PolarHBondContact OE2-NZ 3.45Å; E906-V910 WeakPolarHBondContact O-CG2 3.3Å; E906-V910 PolarHBondContact O-N 2.93Å; E906-V910 VanDerWaalsContact O-N 3.09Å |
| 907 | I | 93.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.5 | -41.3 | 170.4 | -68.6 | 169 | 0 | 0 | 0 | 110.6 | L831 M863 F868 F879 I881 W903 V910 L911 | L831-I907 HydrophobicContact CD1-CG1 4.08Å; L831-I907 HydrophobicContact CD2-CG1 3.78Å; M863-I907 HydrophobicContact CE-CG2 4.37Å; F868-I907 HydrophobicContact CB-CG2 4.2Å; F868-I907 HydrophobicContact CD1-CG2 3.63Å; F868-I907 HydrophobicContact CE1-CG2 4.23Å; F868-I907 HydrophobicContact CG-CG2 4.04Å; F879-I907 HydrophobicContact CE2-CD1 3.95Å; I881-I907 HydrophobicContact CD1-CD1 4.12Å; W903-I907 HydrophobicContact CE3-CD1 4.31Å; W903-I907 WeakPolarHBondContact O-CB 3.42Å; W903-I907 VanDerWaalsContact O-CG1 3.28Å; W903-I907 WeakPolarHBondContact O-CG1 3.41Å; W903-I907 PolarHBondContact O-N 3.21Å; I907-V910 PolarHBondContact O-N 3Å; I907-L911 HydrophobicContact CG2-CD1 3.96Å; I907-L911 WeakPolarHBondContact O-CG 3.27Å; I907-L911 PolarHBondContact O-N 3.49Å; I907-L911 VanDerWaalsContact O-N 3.14Å |
| 908 | R | 93.9 | Very high | 89.8 | Confident | 93 Ų | 93 | 59.2 Ų | 59.2 | 35% | 0.351 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.2 | -41.6 | 177.1 | -163.1 | -168 | -46.8 | -101.8 | 6.4 | 112.1 | F868 E870 V904 N905 E906 T912 | F868-R908 HydrophobicContact CE1-CB 4.19Å; F868-R908 HydrophobicContact CE1-CG 4.37Å; F868-R908 HydrophobicContact CZ-CB 4.02Å; F868-R908 HydrophobicContact CZ-CG 4.12Å; E870-R908 IonicContact OE1-NH2 3.22Å; E870-R908 PolarHBondContact OE1-NH2 3.44Å; E870-R908 IonicContact OE2-CZ 2.77Å; E870-R908 IonicContact OE2-NH1 2.67Å; E870-R908 PolarHBondContact OE2-NH1 3.28Å; E870-R908 IonicContact OE2-NH2 2.78Å; E870-R908 PolarHBondContact OE2-NH2 2.86Å; V904-R908 VanDerWaalsContact O-CB 3.26Å; V904-R908 WeakPolarHBondContact O-CB 3.4Å; V904-R908 PolarHBondContact O-N 2.94Å; N905-R908 WeakPolarHBondContact O-CB 3.37Å; N905-R908 PolarHBondContact O-N 3.17Å; E906-R908 VanDerWaalsContact C-N 3.27Å; E906-R908 PolarHBondContact O-N 3.31Å; R908-T912 WeakPolarHBondContact O-CB 3.47Å; R908-T912 PolarHBondContact O-N 3.2Å; R908-T912 PolarHBondContact O-OG1 3.36Å |
| 909 | K | 91.8 | Very high | 89.4 | Confident | 111 Ų | 111 | 61.3 Ų | 61.3 | 48% | 0.483 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59 | -53.1 | 174.5 | -73 | 167 | 177.7 | 169.6 | 0 | 111.2 | N905 E906 L911 T912 T913 | N905-K909 WeakPolarHBondContact O-CG 3.49Å; N905-K909 PolarHBondContact O-N 3.31Å; E906-K909 WeakPolarHBondContact O-CB 3.38Å; E906-K909 PolarHBondContact O-N 3.31Å; E906-K909 WeakPolarHBondContact OE1-CD 3.12Å; E906-K909 IonicContact OE1-NZ 3.79Å; E906-K909 PolarHBondContact OE1-NZ 2.87Å; E906-K909 IonicContact OE2-NZ 3.37Å; E906-K909 PolarHBondContact OE2-NZ 3.45Å; K909-L911 VanDerWaalsContact C-N 3.3Å; K909-L911 PolarHBondContact O-N 3.16Å; K909-T912 WeakPolarHBondContact O-CB 3.39Å; K909-T912 PolarHBondContact O-N 2.99Å; K909-T913 PolarHBondContact O-N 2.79Å; K909-T913 PolarHBondContact O-OG1 3.41Å |
| 910 | V | 92 | Very high | 88.9 | Confident | 12 Ų | 12 | 64.3 Ų | 64.3 | 7% | 0.073 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -54.6 | -47.2 | -178.5 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | L798 E833 M863 E906 I907 T912 T913 Q914 | L798-V910 HydrophobicContact CD1-CG2 3.26Å; E833-V910 VanDerWaalsContact O-CG1 3.27Å; E833-V910 WeakPolarHBondContact O-CG1 3.29Å; M863-V910 HydrophobicContact CB-CG1 4.3Å; M863-V910 HydrophobicContact CE-CB 4.06Å; M863-V910 HydrophobicContact CE-CG1 3.68Å; M863-V910 HydrophobicContact CG-CG1 4.3Å; E906-V910 WeakPolarHBondContact O-CG2 3.3Å; E906-V910 PolarHBondContact O-N 2.93Å; E906-V910 VanDerWaalsContact O-N 3.09Å; I907-V910 PolarHBondContact O-N 3Å; V910-T912 PolarHBondContact O-N 3.09Å; V910-T913 PolarHBondContact O-N 2.88Å; V910-Q914 HydrophobicContact CG1-CG 4.49Å; V910-Q914 WeakPolarHBondContact O-CB 3.4Å; V910-Q914 WeakPolarHBondContact O-CG 3.44Å; V910-Q914 PolarHBondContact O-N 2.89Å |
| 911 | L | 89.2 | Confident | 88.1 | Confident | 41 Ų | 41 | 65.8 Ų | 65.8 | 22% | 0.215 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.1 | -31.1 | 179.9 | -65 | 173.3 | 0 | 0 | 0 | 113 | M863 V866 F868 I907 K909 L915 | M863-L911 HydrophobicContact CE-CD2 4.19Å; M863-L911 HydrophobicContact CE-CG 4.27Å; V866-L911 WeakPolarHBondContact O-CD2 3.41Å; F868-L911 HydrophobicContact CD1-CD1 3.77Å; F868-L911 HydrophobicContact CE1-CD1 4.12Å; I907-L911 HydrophobicContact CG2-CD1 3.96Å; I907-L911 WeakPolarHBondContact O-CG 3.27Å; I907-L911 PolarHBondContact O-N 3.49Å; I907-L911 VanDerWaalsContact O-N 3.14Å; K909-L911 VanDerWaalsContact C-N 3.3Å; K909-L911 PolarHBondContact O-N 3.16Å; L911-L915 WeakPolarHBondContact O-CB 3.36Å; L911-L915 PolarHBondContact O-N 3.5Å; L911-L915 VanDerWaalsContact O-N 3.08Å |
| 912 | T | 89.4 | Confident | 87.1 | Confident | 62 Ų | 62 | 66.1 Ų | 66.1 | 38% | 0.38 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.5 | -49.6 | 171.3 | -64 | 0 | 0 | 0 | 0 | 111.2 | R908 K909 V910 Q914 L915 E916 | R908-T912 WeakPolarHBondContact O-CB 3.47Å; R908-T912 PolarHBondContact O-N 3.2Å; R908-T912 PolarHBondContact O-OG1 3.36Å; K909-T912 WeakPolarHBondContact O-CB 3.39Å; K909-T912 PolarHBondContact O-N 2.99Å; V910-T912 PolarHBondContact O-N 3.09Å; T912-Q914 VanDerWaalsContact C-N 3.32Å; T912-Q914 PolarHBondContact O-N 3.05Å; T912-L915 WeakPolarHBondContact O-CA 3.49Å; T912-L915 WeakPolarHBondContact O-CB 3.37Å; T912-L915 PolarHBondContact O-N 3.01Å; T912-E916 HydrophobicContact CG2-CG 4.48Å; T912-E916 WeakPolarHBondContact O-CG 3.45Å; T912-E916 PolarHBondContact O-N 3.48Å |
| 913 | T | 88.1 | Confident | 86.3 | Confident | 85 Ų | 85 | 68.5 Ų | 68.5 | 52% | 0.521 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.8 | -37.5 | 179.2 | -56.1 | 0 | 0 | 0 | 0 | 112 | K909 V910 E916 A917 | K909-T913 PolarHBondContact O-N 2.79Å; K909-T913 PolarHBondContact O-OG1 3.41Å; V910-T913 PolarHBondContact O-N 2.88Å; T913-E916 PolarHBondContact O-N 2.92Å; T913-A917 WeakPolarHBondContact O-CB 3.38Å; T913-A917 PolarHBondContact O-N 2.8Å |
| 914 | Q | 83.6 | Confident | 84.8 | Confident | 36 Ų | 36 | 75.9 Ų | 75.9 | 17% | 0.168 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65.8 | -38.2 | 172.2 | -73.3 | -178.1 | 8.3 | 0 | 0 | 112.5 | E833 M863 N864 V910 T912 C918 | E833-Q914 PolarHBondContact O-NE2 3.27Å; M863-Q914 VanDerWaalsContact CB-NE2 3.27Å; N864-Q914 PolarHBondContact OD1-OE1 2.92Å; V910-Q914 HydrophobicContact CG1-CG 4.49Å; V910-Q914 WeakPolarHBondContact O-CB 3.4Å; V910-Q914 WeakPolarHBondContact O-CG 3.44Å; V910-Q914 PolarHBondContact O-N 2.89Å; T912-Q914 VanDerWaalsContact C-N 3.32Å; T912-Q914 PolarHBondContact O-N 3.05Å; Q914-C918 VanDerWaalsContact O-CB 3.3Å; Q914-C918 WeakPolarHBondContact O-CB 3.43Å; Q914-C918 PolarHBondContact O-N 3.44Å; Q914-C918 PolarHBondContact O-SG 2.83Å |
| 915 | L | 83.4 | Confident | 82.9 | Confident | 126 Ų | 126 | 86.2 Ų | 86.2 | 66% | 0.66 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -66.2 | -38.1 | 175.2 | 179.6 | 64.5 | 0 | 0 | 0 | 111.9 | L911 T912 R919 | L911-L915 WeakPolarHBondContact O-CB 3.36Å; L911-L915 PolarHBondContact O-N 3.5Å; L911-L915 VanDerWaalsContact O-N 3.08Å; T912-L915 WeakPolarHBondContact O-CA 3.49Å; T912-L915 WeakPolarHBondContact O-CB 3.37Å; T912-L915 PolarHBondContact O-N 3.01Å; L915-R919 WeakPolarHBondContact O-CB 3.28Å; L915-R919 PolarHBondContact O-N 3.12Å |
| 916 | E | 86.4 | Confident | 80.6 | Confident | 99 Ų | 99 | 86.6 Ų | 86.6 | 46% | 0.463 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.6 | -50.7 | 175.7 | -72.2 | 165.1 | 161.6 | 0 | 0 | 111 | T912 T913 C918 R919 E920 | T912-E916 HydrophobicContact CG2-CG 4.48Å; T912-E916 WeakPolarHBondContact O-CG 3.45Å; T912-E916 PolarHBondContact O-N 3.48Å; T913-E916 PolarHBondContact O-N 2.92Å; E916-C918 VanDerWaalsContact C-N 3.32Å; E916-C918 PolarHBondContact O-N 2.93Å; E916-R919 WeakPolarHBondContact O-CA 3.49Å; E916-R919 WeakPolarHBondContact O-CB 3.47Å; E916-R919 PolarHBondContact O-N 2.98Å; E916-E920 PolarHBondContact O-N 2.92Å |
| 917 | A | 81.6 | Confident | 78.6 | Confident | 54 Ų | 54 | 89.9 Ų | 89.9 | 45% | 0.446 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59 | -39.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | T913 R919 E920 A921 | T913-A917 WeakPolarHBondContact O-CB 3.38Å; T913-A917 PolarHBondContact O-N 2.8Å; A917-R919 VanDerWaalsContact C-N 3.32Å; A917-R919 PolarHBondContact O-N 3.14Å; A917-E920 PolarHBondContact O-N 3.32Å; A917-A921 VanDerWaalsContact O-CB 3.25Å; A917-A921 WeakPolarHBondContact O-CB 3.41Å; A917-A921 PolarHBondContact O-N 2.91Å |
| 918 | C | 80.3 | Confident | 76.1 | Confident | 87 Ų | 87 | 96.6 Ų | 96.6 | 59% | 0.588 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66 | -32.9 | 173.8 | -72.2 | 0 | 0 | 0 | 0 | 112.7 | Q914 E916 S922 | Q914-C918 VanDerWaalsContact O-CB 3.3Å; Q914-C918 WeakPolarHBondContact O-CB 3.43Å; Q914-C918 PolarHBondContact O-N 3.44Å; Q914-C918 PolarHBondContact O-SG 2.83Å; E916-C918 VanDerWaalsContact C-N 3.32Å; E916-C918 PolarHBondContact O-N 2.93Å; C918-S922 VanDerWaalsContact O-CB 3.26Å; C918-S922 WeakPolarHBondContact O-CB 3.44Å; C918-S922 PolarHBondContact O-N 2.98Å; C918-S922 VanDerWaalsContact O-N 3.14Å |
| 919 | R | 82.4 | Confident | 73.4 | Confident | 169 Ų | 169 | 101.6 Ų | 101.6 | 64% | 0.638 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -70.7 | -46 | 176.3 | -177.5 | -176.5 | -178.8 | -177.5 | 0.2 | 111 | L915 E916 A917 S922 Q923 | L915-R919 WeakPolarHBondContact O-CB 3.28Å; L915-R919 PolarHBondContact O-N 3.12Å; E916-R919 WeakPolarHBondContact O-CA 3.49Å; E916-R919 WeakPolarHBondContact O-CB 3.47Å; E916-R919 PolarHBondContact O-N 2.98Å; A917-R919 VanDerWaalsContact C-N 3.32Å; A917-R919 PolarHBondContact O-N 3.14Å; R919-S922 WeakPolarHBondContact O-CB 3.43Å; R919-S922 PolarHBondContact O-N 3.39Å; R919-Q923 WeakPolarHBondContact O-CG 3.3Å; R919-Q923 PolarHBondContact O-N 3.3Å |
| 920 | E | 80.9 | Confident | 70.9 | Confident | 113 Ų | 113 | 102.6 Ų | 102.6 | 53% | 0.528 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.8 | -48.1 | 176.9 | -69.7 | 176.4 | -178.9 | 0 | 0 | 111.5 | E916 A917 S922 Q923 Q924 | E916-E920 PolarHBondContact O-N 2.92Å; A917-E920 PolarHBondContact O-N 3.32Å; E920-S922 PolarHBondContact O-N 3Å; E920-Q923 PolarHBondContact O-N 3.19Å; E920-Q923 VanDerWaalsContact O-N 3.11Å; E920-Q924 WeakPolarHBondContact O-CG 3.4Å; E920-Q924 PolarHBondContact O-N 2.93Å |
| 921 | A | 75.8 | Confident | 68.1 | Low | 40 Ų | 40 | 112 Ų | 112 | 33% | 0.331 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.9 | -21.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | A917 R925 | A917-A921 VanDerWaalsContact O-CB 3.25Å; A917-A921 WeakPolarHBondContact O-CB 3.41Å; A917-A921 PolarHBondContact O-N 2.91Å; A921-R925 WeakPolarHBondContact O-CD 3.49Å; A921-R925 VanDerWaalsContact O-CG 3.27Å; A921-R925 WeakPolarHBondContact O-CG 3.28Å; A921-R925 PolarHBondContact O-NE 3.4Å |
| 922 | S | 73.4 | Confident | 66.2 | Low | 78 Ų | 78 | 115.4 Ų | 115.4 | 55% | 0.545 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -81.1 | -42.8 | 171.4 | -172.7 | 0 | 0 | 0 | 0 | 111.5 | C918 R919 E920 Q924 R925 | C918-S922 VanDerWaalsContact O-CB 3.26Å; C918-S922 WeakPolarHBondContact O-CB 3.44Å; C918-S922 PolarHBondContact O-N 2.98Å; C918-S922 VanDerWaalsContact O-N 3.14Å; R919-S922 WeakPolarHBondContact O-CB 3.43Å; R919-S922 PolarHBondContact O-N 3.39Å; E920-S922 PolarHBondContact O-N 3Å; S922-Q924 PolarHBondContact O-N 3.09Å; S922-R925 PolarHBondContact O-N 3.41Å |
| 923 | Q | 73.1 | Confident | 63.6 | Low | 119 Ų | 119 | 122.1 Ų | 122.1 | 56% | 0.556 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -65.6 | -36.6 | 177.5 | -73.1 | 174.4 | -46.4 | 0 | 0 | 112.6 | R919 E920 R925 A926 | R919-Q923 WeakPolarHBondContact O-CG 3.3Å; R919-Q923 PolarHBondContact O-N 3.3Å; E920-Q923 PolarHBondContact O-N 3.19Å; E920-Q923 VanDerWaalsContact O-N 3.11Å; Q923-R925 PolarHBondContact O-N 2.84Å; Q923-A926 PolarHBondContact O-N 3.24Å |
| 924 | Q | 63.5 | Low | 61.3 | Low | 158 Ų | 158 | 123.5 Ų | 123.5 | 74% | 0.738 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -13.5 | 175.1 | -70.3 | 175.9 | 7.2 | 0 | 0 | 114 | E920 S922 | E920-Q924 WeakPolarHBondContact O-CG 3.4Å; E920-Q924 PolarHBondContact O-N 2.93Å; S922-Q924 PolarHBondContact O-N 3.09Å |
| 925 | R | 54.4 | Low | 59.7 | Low | 217 Ų | 217 | 127.6 Ų | 127.6 | 82% | 0.819 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | 8.2 | 179.5 | -70.2 | 176.4 | -167.2 | -174 | 4.5 | 114.2 | A921 S922 Q923 | A921-R925 WeakPolarHBondContact O-CD 3.49Å; A921-R925 VanDerWaalsContact O-CG 3.27Å; A921-R925 WeakPolarHBondContact O-CG 3.28Å; A921-R925 PolarHBondContact O-NE 3.4Å; S922-R925 PolarHBondContact O-N 3.41Å; Q923-R925 PolarHBondContact O-N 2.84Å |
| 926 | A | 44.5 | Very low | 57.4 | Low | 76 Ų | 76 | 129.5 Ų | 129.5 | 63% | 0.628 | 69% | 0.687 | S | S | * | * | trans | -128 | 99.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q923 | Q923-A926 PolarHBondContact O-N 3.24Š| ||
| 927 | P | 48.6 | Very low | 55.3 | Low | 111 Ų | 111 | 129.7 Ų | 129.7 | 72% | 0.721 | 70% | 0.697 | S | S | * | * | trans | -129.5 | 171.4 | 130.6 | 37.3 | -29.3 | 0 | 0 | 0 | 113.8 | ||||
| 928 | D | 41.5 | Very low | 52.7 | Low | 142 Ų | 142 | 133.1 Ų | 133.1 | 76% | 0.759 | 71% | 0.712 | S | S | * | * | trans | 61.3 | 89.6 | 162.4 | -60.3 | -13.8 | 0 | 0 | 0 | 120.6 | ||||
| 929 | Q | 38.7 | Very low | 50.1 | Low | 197 Ų | 197 | 132.2 Ų | 132.2 | 92% | 0.921 | 72% | 0.718 | S | S | * | * | -165.1 | 124.8 | 113.6 | -108.2 | 157.5 | 93.5 | 0 | 0 | 113.4 | |||||
| 930 | V | 39.1 | Very low | 47.6 | Very low | 133 Ų | 133 | 130.9 Ų | 130.9 | 81% | 0.806 | 73% | 0.729 | S | S | * | * | trans | -143.4 | 111.3 | 169.2 | 178.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 931 | F | 33 | Very low | 45.1 | Very low | 209 Ų | 209 | 132.1 Ų | 132.1 | 92% | 0.917 | 74% | 0.744 | S | S | * | * | trans | -149.1 | 147.5 | 159.1 | -87.8 | -71.7 | 0 | 0 | 0 | 110.5 | ||||
| 932 | P | 49 | Very low | 42.6 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | trans | -98.8 | 156.2 | -171.7 | 37.5 | -34.3 | 0 | 0 | 0 | 114.8 | ||||
| 933 | F | 34.5 | Very low | 40.4 | Very low | 202 Ų | 202 | 138.9 Ų | 138.9 | 89% | 0.886 | 78% | 0.776 | S | S | * | * | trans | -76.7 | 156.1 | 170 | -76 | -89.2 | 0 | 0 | 0 | 113 | ||||
| 934 | P | 40.1 | Very low | 38.2 | Very low | 114 Ų | 114 | 137.3 Ų | 137.3 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | -133.2 | -162 | 119.7 | 45.1 | -34.7 | 0 | 0 | 0 | 111.1 | |||||
| 935 | P | 50 | Low | 36.9 | Very low | 123 Ų | 123 | 135.4 Ų | 135.4 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | -122.7 | 171.6 | -110 | 26.4 | -2.6 | 0 | 0 | 0 | 116.7 | |||||
| 936 | L | 35.8 | Very low | 35.6 | Very low | 165 Ų | 165 | 133.1 Ų | 133.1 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | -75.6 | 159 | 179.1 | -146.5 | 81 | 0 | 0 | 0 | 113.4 | ||||
| 937 | P | 41.4 | Very low | 34.8 | Very low | 104 Ų | 104 | 137.3 Ų | 137.3 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | -145.6 | 162.4 | 112.6 | 39 | -25.5 | 0 | 0 | 0 | 115.9 | |||||
| 938 | T | 27.3 | Very low | 33.6 | Very low | 125 Ų | 125 | 137.4 Ų | 137.4 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | trans | 35.1 | 115.8 | 153.9 | 54.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 939 | G | 26.1 | Very low | 32.8 | Very low | 68 Ų | 68 | 136.7 Ų | 136.7 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | cis | 82.4 | 142.7 | 24.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 940 | T | 28.1 | Very low | 32.2 | Very low | 141 Ų | 141 | 135.7 Ų | 135.7 | 87% | 0.865 | 78% | 0.779 | S | S | * | * | cis | -167.4 | 159.1 | 9.5 | -40.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 941 | V | 28.3 | Very low | 31.7 | Very low | 139 Ų | 139 | 138.9 Ų | 138.9 | 84% | 0.842 | 78% | 0.783 | S | S | * | * | trans | 177.7 | 148.6 | 135.9 | 149.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 942 | S | 24.9 | Very low | 31.2 | Very low | 103 Ų | 103 | 136 Ų | 136 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | trans | 83.9 | 127.4 | 167.2 | -150.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 943 | L | 25.9 | Very low | 30.2 | Very low | 158 Ų | 158 | 139.9 Ų | 139.9 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | cis | -153.5 | 149.1 | -17.9 | -118.6 | 176.9 | 0 | 0 | 0 | 109.6 | ||||
| 944 | S | 27.1 | Very low | 29.6 | Very low | 85 Ų | 85 | 140.5 Ų | 140.5 | 59% | 0.594 | 79% | 0.789 | S | S | * | * | trans | -148.3 | 157.1 | 167.2 | 73.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 945 | P | 37.5 | Very low | 28.8 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | -142.6 | 172.7 | 81.1 | 34.5 | -15 | 0 | 0 | 0 | 113.8 | |||||
| 946 | F | 26 | Very low | 27.5 | Very low | 169 Ų | 169 | 141 Ų | 141 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | cis | 89.6 | 134.9 | 23.1 | -102.8 | -49.8 | 0 | 0 | 0 | 118.1 | ||||
| 947 | K | 27.4 | Very low | 26.9 | Very low | 163 Ų | 163 | 139.7 Ų | 139.7 | 71% | 0.709 | 78% | 0.776 | S | S | * | * | trans | 77.8 | 159.9 | 153.1 | -68.6 | 166.6 | -172.3 | 171.5 | 0 | 115.3 | ||||
| 948 | T | 24.5 | Very low | 26.1 | Very low | 113 Ų | 113 | 142.5 Ų | 142.5 | 69% | 0.693 | 78% | 0.778 | S | S | * | * | cis | -147.9 | 142.7 | 30.3 | -49.8 | 0 | 0 | 0 | 0 | 116.1 | Q950 | T948-Q950 HydrophobicContact CG2-CB 3.94Š| ||
| 949 | S | 24.2 | Very low | 26 | Very low | 128 Ų | 128 | 146.3 Ų | 146.3 | 90% | 0.895 | 78% | 0.784 | S | S | * | * | trans | -128.8 | 119.4 | 143.7 | -83.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 950 | Q | 25.1 | Very low | 25.9 | Very low | 175 Ų | 175 | 148 Ų | 148 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -152.9 | 144.9 | 175 | -144.4 | 166 | -3.2 | 0 | 0 | 112 | T948 | T948-Q950 HydrophobicContact CG2-CB 3.94Š| ||
| 951 | K | 29 | Very low | 25.7 | Very low | 201 Ų | 201 | 150 Ų | 150 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | -95.2 | 145.9 | -172.3 | -49.3 | 165.3 | -178.1 | 173 | 0 | 111.2 | ||||
| 952 | V | 22.3 | Very low | 26.2 | Very low | 148 Ų | 148 | 148.6 Ų | 148.6 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | trans | -142.9 | 150.1 | 146.3 | 179.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 953 | K | 28.6 | Very low | 26 | Very low | 195 Ų | 195 | 149.4 Ų | 149.4 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | trans | -96.8 | 138.8 | 172.8 | -61.7 | 174.7 | 175.2 | -178.8 | 0 | 111.1 | ||||
| 954 | K | 22.9 | Very low | 25.9 | Very low | 214 Ų | 214 | 147 Ų | 147 | 93% | 0.93 | 79% | 0.785 | S | S | * | * | trans | -177.2 | 148.6 | 133.7 | -115.8 | -174.4 | 174.1 | -170.7 | 0 | 114.1 | ||||
| 955 | G | 21.9 | Very low | 26.7 | Very low | 59 Ų | 59 | 148.2 Ų | 148.2 | 61% | 0.608 | 79% | 0.791 | S | S | * | * | trans | 64.6 | 101.5 | 130.8 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 956 | E | 23.4 | Very low | 26.3 | Very low | 189 Ų | 189 | 148.5 Ų | 148.5 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | 60.5 | 152.8 | 119.7 | -77.6 | 173.2 | 112.3 | 0 | 0 | 124.5 | |||||
| 957 | E | 22.9 | Very low | 26.4 | Very low | 137 Ų | 137 | 146.4 Ų | 146.4 | 64% | 0.64 | 79% | 0.787 | S | S | * | * | trans | 75.1 | 102.8 | 157.2 | -65.4 | -88.4 | 88.1 | 0 | 0 | 121.5 | ||||
| 958 | K | 25.1 | Very low | 26.5 | Very low | 163 Ų | 163 | 145.2 Ų | 145.2 | 71% | 0.709 | 79% | 0.787 | S | S | * | * | 64.3 | 111.7 | 127.2 | -69.8 | 175.3 | -176 | 134.3 | 0 | 122.5 | |||||
| 959 | K | 25.4 | Very low | 26.5 | Very low | 206 Ų | 206 | 144.9 Ų | 144.9 | 90% | 0.896 | 79% | 0.789 | S | S | * | * | 67.7 | 102.3 | 112.4 | -169.2 | -166.5 | -179.3 | -175.2 | 0 | 119.6 | |||||
| 960 | A | 24.3 | Very low | 26.5 | Very low | 102 Ų | 102 | 144.6 Ų | 144.6 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -158.6 | 142.7 | 130.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 961 | E | 23.5 | Very low | 26.5 | Very low | 184 Ų | 184 | 141.6 Ų | 141.6 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | -86.9 | 175.5 | 164.1 | -115.6 | 175.5 | 174.2 | 0 | 0 | 109.1 | ||||
| 962 | P | 37.8 | Very low | 26.3 | Very low | 110 Ų | 110 | 135.9 Ų | 135.9 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | cis | -152.4 | -174.9 | 43.6 | 44.4 | -22.8 | 0 | 0 | 0 | 119.1 | ||||
| 963 | C | 20.9 | Very low | 27 | Very low | 119 Ų | 119 | 135 Ų | 135 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | 80.3 | 87.5 | 156.5 | -65.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 964 | S | 24.4 | Very low | 26.8 | Very low | 109 Ų | 109 | 134 Ų | 134 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | trans | -64 | -156.9 | 136.9 | 58.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 965 | P | 44.5 | Very low | 26.9 | Very low | 110 Ų | 110 | 130.3 Ų | 130.3 | 71% | 0.714 | 75% | 0.747 | S | S | * | * | cis | -135.8 | -174.2 | -1.9 | 47 | -29.8 | 0 | 0 | 0 | 114.5 | ||||
| 966 | D | 27.4 | Very low | 26.9 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 66% | 0.663 | 76% | 0.757 | S | S | * | * | cis | -120.6 | -104.1 | -4.9 | -166.7 | -113.3 | 0 | 0 | 0 | 112.3 | I968 | D966-I968 WeakPolarHBondContact OD1-CG1 3.45Å; D966-I968 PolarHBondContact OD1-N 2.91Å | ||
| 967 | V | 28.5 | Very low | 27.1 | Very low | 125 Ų | 125 | 130.4 Ų | 130.4 | 76% | 0.758 | 75% | 0.749 | S | S | * | * | cis | -138.3 | 116.1 | -1.2 | -177.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 968 | I | 29.3 | Very low | 27.3 | Very low | 139 Ų | 139 | 130.2 Ų | 130.2 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | trans | 15.2 | 127.5 | 144.5 | -55.2 | 176.1 | 0 | 0 | 0 | 117.6 | D966 | D966-I968 WeakPolarHBondContact OD1-CG1 3.45Å; D966-I968 PolarHBondContact OD1-N 2.91Å | ||
| 969 | S | 25.3 | Very low | 27.3 | Very low | 105 Ų | 105 | 128.6 Ų | 128.6 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | cis | -160.1 | -131 | -18.9 | -168 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 970 | T | 24.5 | Very low | 27.4 | Very low | 123 Ų | 123 | 125.7 Ų | 125.7 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | cis | -165 | 165.8 | -8.1 | -5.3 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 971 | C | 23.4 | Very low | 27.4 | Very low | 111 Ų | 111 | 125.1 Ų | 125.1 | 75% | 0.75 | 73% | 0.73 | S | S | * | * | cis | -156.7 | -153.6 | -7 | -158.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 972 | S | 25.5 | Very low | 27.5 | Very low | 82 Ų | 82 | 121.9 Ų | 121.9 | 57% | 0.573 | 72% | 0.722 | S | S | * | * | trans | -161.2 | 170.9 | 165 | -73.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 973 | P | 36.6 | Very low | 27 | Very low | 129 Ų | 129 | 123.4 Ų | 123.4 | 84% | 0.838 | 73% | 0.73 | S | S | * | * | trans | -136 | 154.7 | 133.7 | 37.1 | -26.6 | 0 | 0 | 0 | 115.2 | ||||
| 974 | K | 25.1 | Very low | 27.2 | Very low | 174 Ų | 174 | 122.3 Ų | 122.3 | 76% | 0.757 | 72% | 0.724 | S | S | * | * | trans | -160.2 | 159.8 | -172 | -59.3 | -176.4 | -176.3 | 172.1 | 0 | 108.4 | ||||
| 975 | L | 25.1 | Very low | 27.9 | Very low | 137 Ų | 137 | 123.4 Ų | 123.4 | 72% | 0.717 | 73% | 0.728 | S | S | * | * | cis | -163 | 146.9 | -4.8 | -128.7 | 173.6 | 0 | 0 | 0 | 109.8 | ||||
| 976 | T | 22.7 | Very low | 27 | Very low | 134 Ų | 134 | 124 Ų | 124 | 82% | 0.822 | 73% | 0.73 | S | S | * | * | trans | -142.3 | 111.8 | 158.3 | 40.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 977 | V | 27 | Very low | 27 | Very low | 115 Ų | 115 | 123 Ų | 123 | 70% | 0.697 | 73% | 0.732 | S | S | * | * | 74.2 | 132 | 50.7 | -178.1 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 978 | K | 27.7 | Very low | 26.9 | Very low | 133 Ų | 133 | 123.1 Ų | 123.1 | 58% | 0.578 | 73% | 0.729 | S | S | * | * | cis | -104.5 | -128.5 | 12.9 | -148.9 | -168.4 | 135.7 | -147.9 | 0 | 112.4 | E980 | K978-E980 WeakPolarHBondContact CE-OE1 3.29Å; K978-E980 IonicContact NZ-OE1 3.56Å; K978-E980 PolarHBondContact NZ-OE1 3.35Å; K978-E980 IonicContact NZ-OE2 3.27Å | ||
| 979 | D | 24.5 | Very low | 26.8 | Very low | 129 Ų | 129 | 127.4 Ų | 127.4 | 69% | 0.69 | 74% | 0.736 | S | S | * | * | cis | -151 | -166.6 | 0.1 | -140.5 | -49.7 | 0 | 0 | 0 | 112.4 | ||||
| 980 | E | 26.5 | Very low | 26.8 | Very low | 145 Ų | 145 | 127.1 Ų | 127.1 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | trans | -110.2 | 171.2 | -166.7 | -70 | 161.2 | -155.2 | 0 | 0 | 113.4 | K978 | K978-E980 WeakPolarHBondContact CE-OE1 3.29Å; K978-E980 IonicContact NZ-OE1 3.56Å; K978-E980 PolarHBondContact NZ-OE1 3.35Å; K978-E980 IonicContact NZ-OE2 3.27Å | ||
| 981 | A | 24.2 | Very low | 26.9 | Very low | 91 Ų | 91 | 126.2 Ų | 126.2 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | cis | -157.1 | -179.2 | 15.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 982 | V | 27.5 | Very low | 27 | Very low | 115 Ų | 115 | 126 Ų | 126 | 70% | 0.697 | 75% | 0.752 | S | S | * | * | cis | -175.2 | 145.5 | -38.3 | 138.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 983 | T | 26.5 | Very low | 27.1 | Very low | 142 Ų | 142 | 126.4 Ų | 126.4 | 87% | 0.871 | 76% | 0.76 | S | S | * | * | trans | 70.7 | 155.7 | 168.9 | 41.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 984 | S | 25 | Very low | 26.7 | Very low | 97 Ų | 97 | 129.6 Ų | 129.6 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | trans | -119.1 | -172.5 | -174.8 | 57.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 985 | P | 39.1 | Very low | 26.8 | Very low | 131 Ų | 131 | 130.6 Ų | 130.6 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | -138 | -177.6 | 116.9 | 37.6 | -25.6 | 0 | 0 | 0 | 115.9 | |||||
| 986 | T | 25.9 | Very low | 26.8 | Very low | 124 Ų | 124 | 135.1 Ų | 135.1 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | trans | -107.4 | 178 | -152.2 | 48.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 987 | S | 27.7 | Very low | 26.9 | Very low | 102 Ų | 102 | 137.4 Ų | 137.4 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | trans | 81.4 | 151.8 | 161 | -94.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 988 | D | 24.9 | Very low | 26.8 | Very low | 128 Ų | 128 | 137.8 Ų | 137.8 | 68% | 0.684 | 77% | 0.774 | S | S | * | * | cis | -150.9 | 163.2 | 4.1 | -138.6 | -60.5 | 0 | 0 | 0 | 114.8 | ||||
| 989 | R | 27.9 | Very low | 26.8 | Very low | 228 Ų | 228 | 140 Ų | 140 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | 50.7 | 134.5 | 147.6 | -107.5 | 166.7 | 173.2 | 165.5 | -1.6 | 125.5 | ||||
| 990 | A | 25.7 | Very low | 27 | Very low | 100 Ų | 100 | 143.5 Ų | 143.5 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | 105.3 | 150.9 | 129.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 991 | A | 26.2 | Very low | 26.9 | Very low | 103 Ų | 103 | 140 Ų | 140 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | -143 | 149.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 992 | A | 26.1 | Very low | 27 | Very low | 108 Ų | 108 | 145.3 Ų | 145.3 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | trans | 179.6 | 164.9 | 150.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 993 | A | 26.9 | Very low | 26.9 | Very low | 90 Ų | 90 | 144.1 Ų | 144.1 | 74% | 0.744 | 81% | 0.81 | S | S | * | * | trans | -143.2 | 162.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 994 | K | 28.5 | Very low | 26.7 | Very low | 195 Ų | 195 | 143.9 Ų | 143.9 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | trans | 63.5 | 108.8 | 163 | -61.7 | 177.5 | 178.1 | 178 | 0 | 118.8 | ||||
| 995 | K | 26.7 | Very low | 26.8 | Very low | 195 Ų | 195 | 146.1 Ų | 146.1 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | trans | 173.5 | 132.2 | 138.7 | -91.2 | 149.8 | -173.4 | -176.6 | 0 | 105.4 | ||||
| 996 | R | 25.6 | Very low | 26.2 | Very low | 233 Ų | 233 | 148.3 Ų | 148.3 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | cis | 60.2 | 92.1 | 34.3 | -164.3 | -177.6 | -166 | 172.3 | 6.6 | 112.7 | ||||
| 997 | F | 24.4 | Very low | 26.2 | Very low | 182 Ų | 182 | 148.6 Ų | 148.6 | 80% | 0.798 | 81% | 0.805 | S | S | * | * | trans | -170 | 125.2 | 144 | -103.3 | -70 | 0 | 0 | 0 | 111.2 | ||||
| 998 | T | 26.3 | Very low | 26.1 | Very low | 123 Ų | 123 | 152.4 Ų | 152.4 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | trans | 45 | 145.4 | 138.4 | 49.2 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 999 | L | 26.8 | Very low | 26.1 | Very low | 180 Ų | 180 | 156 Ų | 156 | 94% | 0.942 | 82% | 0.821 | S | S | * | * | trans | -98.4 | 110.2 | 170.8 | -81.2 | 164.3 | 0 | 0 | 0 | 112.7 | ||||
| 1000 | Q | 27.9 | Very low | 26 | Very low | 201 Ų | 201 | 149 Ų | 149 | 94% | 0.939 | 82% | 0.82 | S | S | * | * | trans | -152.8 | 143.6 | 155.3 | -76.1 | -177.6 | -36.2 | 0 | 0 | 105.3 | ||||
| 1001 | G | 25.5 | Very low | 26.1 | Very low | 73 Ų | 73 | 149.8 Ų | 149.8 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | cis | -169.3 | 166.9 | -5.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1002 | F | 25.5 | Very low | 26.7 | Very low | 201 Ų | 201 | 150.4 Ų | 150.4 | 88% | 0.882 | 82% | 0.815 | S | S | * | * | trans | -40.5 | 149 | -172.7 | -78.3 | -91.2 | 0 | 0 | 0 | 120.7 | ||||
| 1003 | S | 25.3 | Very low | 26.7 | Very low | 90 Ų | 90 | 152 Ų | 152 | 63% | 0.629 | 81% | 0.814 | S | S | * | * | trans | 64.3 | 122.8 | 145.4 | -54.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1004 | N | 24 | Very low | 26.8 | Very low | 138 Ų | 138 | 152.6 Ų | 152.6 | 74% | 0.738 | 81% | 0.812 | S | S | * | * | -179.9 | 152.8 | 74 | -100.7 | -58.2 | 0 | 0 | 0 | 115.7 | |||||
| 1005 | L | 25.8 | Very low | 27.4 | Very low | 144 Ų | 144 | 148.4 Ų | 148.4 | 75% | 0.754 | 81% | 0.805 | S | S | * | * | trans | 62.9 | 139 | 140.7 | -73.5 | 162.4 | 0 | 0 | 0 | 125.2 | ||||
| 1006 | K | 26 | Very low | 27.6 | Very low | 176 Ų | 176 | 145.5 Ų | 145.5 | 77% | 0.765 | 80% | 0.799 | S | S | * | * | trans | 83.8 | 91.8 | 143.8 | -79.5 | 175.2 | 177.6 | 177.5 | 0 | 122.4 | ||||
| 1007 | T | 25.8 | Very low | 28.1 | Very low | 130 Ų | 130 | 140.9 Ų | 140.9 | 80% | 0.798 | 79% | 0.787 | S | S | * | * | -2.5 | 128.4 | 124.4 | 49.5 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 1008 | Q | 26.7 | Very low | 28.4 | Very low | 182 Ų | 182 | 136 Ų | 136 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | -170.9 | 135.5 | 112.8 | -96 | 179.7 | 12.3 | 0 | 0 | 107.8 | |||||
| 1009 | K | 25.8 | Very low | 28.6 | Very low | 203 Ų | 203 | 136.3 Ų | 136.3 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | 89.4 | 110 | 51.9 | -165.7 | -175.2 | -173.4 | -176.1 | 0 | 112.2 | |||||
| 1010 | G | 25.1 | Very low | 28.8 | Very low | 82 Ų | 82 | 134.4 Ų | 134.4 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | trans | 166.9 | 110.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1011 | S | 27.7 | Very low | 28.7 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | -133.1 | 140.9 | -177.7 | 55.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1012 | P | 38.7 | Very low | 28.8 | Very low | 115 Ų | 115 | 141.8 Ų | 141.8 | 75% | 0.747 | 76% | 0.759 | S | S | * | * | trans | -137.5 | 159.4 | 147.5 | 37.9 | -25.1 | 0 | 0 | 0 | 112.3 | ||||
| 1013 | T | 25.4 | Very low | 29.1 | Very low | 143 Ų | 143 | 137.7 Ų | 137.7 | 88% | 0.877 | 76% | 0.755 | S | S | * | * | cis | -165.9 | 162.1 | -19.3 | 23.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1014 | S | 28.8 | Very low | 29.3 | Very low | 101 Ų | 101 | 140.8 Ų | 140.8 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | -115.9 | 171.7 | 170.4 | -142.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1015 | P | 42.9 | Very low | 30.2 | Very low | 108 Ų | 108 | 139.9 Ų | 139.9 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | -124.9 | 159.7 | 110.2 | 31.2 | -21 | 0 | 0 | 0 | 111.4 | |||||
| 1016 | D | 30.6 | Very low | 30.3 | Very low | 134 Ų | 134 | 139 Ų | 139 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | cis | 80.6 | 144.1 | 34.3 | -77.6 | -46 | 0 | 0 | 0 | 115.1 | ||||
| 1017 | H | 36.1 | Very low | 31 | Very low | 135 Ų | 135 | 136.4 Ų | 136.4 | 63% | 0.625 | 77% | 0.768 | S | S | * | * | cis | -152.4 | 168.3 | 7.3 | -140.2 | 33.1 | 0 | 0 | 0 | 109.1 | ||||
| 1018 | N | 29.7 | Very low | 31.1 | Very low | 79 Ų | 79 | 140.4 Ų | 140.4 | 42% | 0.422 | 78% | 0.775 | S | S | . | * | cis | -127.7 | -92.5 | 1.6 | -155.7 | -25.4 | 0 | 0 | 0 | 111.4 | K1020 | N1018-K1020 PolarHBondContact ND2-NZ 2.93Å; N1018-K1020 VanDerWaalsContact OD1-CD 3.3Å; N1018-K1020 WeakPolarHBondContact OD1-CD 3.49Å; N1018-K1020 WeakPolarHBondContact OD1-CE 3.38Å; N1018-K1020 PolarHBondContact OD1-NZ 3.48Å | ||
| 1019 | T | 31 | Very low | 31.1 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 80% | 0.798 | 77% | 0.766 | S | S | * | * | cis | -162.7 | 152.8 | -18.6 | -31 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1020 | K | 31.4 | Very low | 31.2 | Very low | 141 Ų | 141 | 135 Ų | 135 | 61% | 0.613 | 77% | 0.767 | S | S | * | * | -154.8 | 122.1 | -88.5 | -112.8 | 176.1 | 178.8 | 147 | 0 | 113.5 | N1018 | N1018-K1020 PolarHBondContact ND2-NZ 2.93Å; N1018-K1020 VanDerWaalsContact OD1-CD 3.3Å; N1018-K1020 WeakPolarHBondContact OD1-CD 3.49Å; N1018-K1020 WeakPolarHBondContact OD1-CE 3.38Å; N1018-K1020 PolarHBondContact OD1-NZ 3.48Å | |||
| 1021 | R | 25.8 | Very low | 31.2 | Very low | 258 Ų | 258 | 141.3 Ų | 141.3 | 97% | 0.974 | 77% | 0.771 | S | S | * | * | trans | -161.2 | 146 | 148.9 | -108 | 173.7 | -164.7 | -151.8 | 2 | 110.5 | ||||
| 1022 | Q | 27.1 | Very low | 31.1 | Very low | 171 Ų | 171 | 139.2 Ų | 139.2 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | trans | -170.5 | 144.8 | -154.5 | 174.2 | -170.4 | 12.2 | 0 | 0 | 110.9 | ||||
| 1023 | S | 30.7 | Very low | 30.7 | Very low | 114 Ų | 114 | 139.8 Ų | 139.8 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | 171.6 | 123.8 | 141.4 | 52.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1024 | D | 29.4 | Very low | 31.1 | Very low | 155 Ų | 155 | 138.5 Ų | 138.5 | 83% | 0.829 | 77% | 0.766 | S | S | * | * | trans | -88.5 | 170.9 | 153.6 | -53.9 | -69.2 | 0 | 0 | 0 | 110.1 | ||||
| 1025 | P | 43.1 | Very low | 31.1 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | -156.2 | 170 | 94.2 | 40.1 | -20.5 | 0 | 0 | 0 | 118.3 | |||||
| 1026 | T | 29.6 | Very low | 30.5 | Very low | 126 Ų | 126 | 142.5 Ų | 142.5 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | 12.7 | 152.5 | 155.6 | -12.8 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1027 | P | 40.3 | Very low | 30.2 | Very low | 121 Ų | 121 | 145.4 Ų | 145.4 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | -151.2 | 172 | 101.7 | 40.3 | -24 | 0 | 0 | 0 | 117.5 | |||||
| 1028 | F | 27.3 | Very low | 29.8 | Very low | 215 Ų | 215 | 147 Ų | 147 | 94% | 0.943 | 80% | 0.8 | S | S | * | * | trans | -152.1 | 141.2 | 166.5 | -122.6 | -77.5 | 0 | 0 | 0 | 108.5 | ||||
| 1029 | G | 27 | Very low | 29.6 | Very low | 64 Ų | 64 | 149.5 Ų | 149.5 | 66% | 0.66 | 82% | 0.819 | S | S | * | * | trans | 130 | 91.6 | 158.8 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1030 | F | 26.7 | Very low | 29.7 | Very low | 207 Ų | 207 | 155.2 Ų | 155.2 | 91% | 0.908 | 83% | 0.826 | S | S | * | * | trans | 42.1 | 128 | 140.6 | -73.9 | -82.3 | 0 | 0 | 0 | 125.4 | ||||
| 1031 | K | 26.7 | Very low | 29.3 | Very low | 214 Ų | 214 | 152 Ų | 152 | 93% | 0.93 | 83% | 0.826 | S | S | * | * | -165.2 | 145.1 | 122.3 | -104.4 | 170.8 | -176.2 | 179.9 | 0 | 110.9 | |||||
| 1032 | G | 24.8 | Very low | 29.4 | Very low | 73 Ų | 73 | 150.9 Ų | 150.9 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | trans | -117.2 | -156.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1033 | P | 30.8 | Very low | 29.3 | Very low | 127 Ų | 127 | 154.2 Ų | 154.2 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | cis | -125.9 | -175.3 | -1.2 | 43.1 | -28 | 0 | 0 | 0 | 113.6 | ||||
| 1034 | P | 34.5 | Very low | 29.1 | Very low | 116 Ų | 116 | 157.7 Ų | 157.7 | 75% | 0.753 | 83% | 0.828 | S | S | * | * | trans | -105.1 | 161.2 | -178.7 | 39 | -33.4 | 0 | 0 | 0 | 115.3 | ||||
| 1035 | P | 28.7 | Very low | 28.9 | Very low | 126 Ų | 126 | 154.5 Ų | 154.5 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -89.4 | 147.9 | 159.4 | 35.3 | -31.2 | 0 | 0 | 0 | 112.1 | ||||
| 1036 | L | 29.1 | Very low | 28.1 | Very low | 168 Ų | 168 | 154.5 Ų | 154.5 | 88% | 0.88 | 82% | 0.816 | S | S | * | * | trans | -79.3 | 145.4 | 176.9 | -66.5 | 162 | 0 | 0 | 0 | 112.1 | ||||
| 1037 | H | 25.2 | Very low | 28 | Very low | 195 Ų | 195 | 151.7 Ų | 151.7 | 90% | 0.903 | 80% | 0.802 | S | S | * | * | trans | -156.4 | 133.4 | 138.1 | -115.4 | -77.2 | 0 | 0 | 0 | 111.5 | ||||
| 1038 | L | 27.9 | Very low | 27.4 | Very low | 167 Ų | 167 | 151.1 Ų | 151.1 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | -104.1 | 116.8 | -168.3 | -170.6 | 81 | 0 | 0 | 0 | 111.7 | ||||
| 1039 | T | 25.5 | Very low | 27.4 | Very low | 133 Ų | 133 | 148.8 Ų | 148.8 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | trans | -141.6 | 92.5 | 171 | 37.3 | 0 | 0 | 0 | 0 | 114.1 | A1041 | T1039-A1041 PolarHBondContact O-N 3.33Š| ||
| 1040 | R | 31.1 | Very low | 27.6 | Very low | 250 Ų | 250 | 152.8 Ų | 152.8 | 94% | 0.943 | 80% | 0.802 | S | S | * | * | trans | 35.2 | 75.8 | 141 | -160 | 179.8 | -164.9 | 168 | 5.7 | 118.1 | ||||
| 1041 | A | 24.5 | Very low | 27.8 | Very low | 74 Ų | 74 | 150.6 Ų | 150.6 | 61% | 0.612 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 133.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112 | T1039 | T1039-A1041 PolarHBondContact O-N 3.33Š|
| 1042 | R | 26.9 | Very low | 27.7 | Very low | 233 Ų | 233 | 146.7 Ų | 146.7 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -77 | 121.7 | 161 | -89 | 177.4 | 164.4 | 165.6 | -6.2 | 108.5 | ||
| 1043 | W | 25.9 | Very low | 27.9 | Very low | 242 Ų | 242 | 152.2 Ų | 152.2 | 92% | 0.917 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 123.9 | 173.1 | -72 | 75.7 | 0 | 0 | 0 | 110.5 | ||
| 1044 | F | 25.5 | Very low | 27.6 | Very low | 187 Ų | 187 | 153.2 Ų | 153.2 | 82% | 0.82 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 145.7 | 175 | -79.7 | -96.4 | 0 | 0 | 0 | 110.8 | T1046 | F1044-T1046 PolarHBondContact O-N 2.73Š|
| 1045 | S | 26.2 | Very low | 27.2 | Very low | 87 Ų | 87 | 158.4 Ų | 158.4 | 61% | 0.608 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 116.9 | -171.8 | -168.9 | 0 | 0 | 0 | 0 | 113.2 | S1047 | S1045-S1047 PolarHBondContact O-N 2.98Å; S1045-S1047 PolarHBondContact O-OG 2.93Å |
| 1046 | T | 25.6 | Very low | 26.9 | Very low | 119 Ų | 119 | 155.4 Ų | 155.4 | 73% | 0.73 | 78% | 0.777 | S | S | * | * | trans | -73 | 92.2 | 173.4 | 36.7 | 0 | 0 | 0 | 0 | 111.3 | F1044 | F1044-T1046 PolarHBondContact O-N 2.73Š| ||
| 1047 | S | 28 | Very low | 26.6 | Very low | 68 Ų | 68 | 158.6 Ų | 158.6 | 48% | 0.476 | 78% | 0.777 | S | S | . | * | trans | -126.3 | 18.9 | -177.5 | 52.9 | 0 | 0 | 0 | 0 | 114 | S1045 L1049 | S1045-S1047 PolarHBondContact O-N 2.98Å; S1045-S1047 PolarHBondContact O-OG 2.93Å; S1047-L1049 VanDerWaalsContact C-N 3.34Å; S1047-L1049 PolarHBondContact O-N 2.98Å | ||
| 1048 | S | 26.8 | Very low | 26.6 | Very low | 108 Ų | 108 | 157.1 Ų | 157.1 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | 9.7 | -167.2 | 57.1 | 0 | 0 | 0 | 0 | 116.9 | ||
| 1049 | L | 27.8 | Very low | 26.4 | Very low | 166 Ų | 166 | 158.7 Ų | 158.7 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | 2 | -177.7 | -80.5 | 170.5 | 0 | 0 | 0 | 115.5 | S1047 | S1047-L1049 VanDerWaalsContact C-N 3.34Å; S1047-L1049 PolarHBondContact O-N 2.98Å |
| 1050 | L | 30.7 | Very low | 26.3 | Very low | 149 Ų | 149 | 158.8 Ų | 158.8 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -127.3 | 13.9 | 174.5 | -70.6 | 174.4 | 0 | 0 | 0 | 113.8 | ||
| 1051 | Q | 31 | Very low | 26 | Very low | 160 Ų | 160 | 152.3 Ų | 152.3 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | -112.8 | 56.3 | -178.4 | -72.9 | -164.9 | -20.5 | 0 | 0 | 114.4 | ||||
| 1052 | T | 24.9 | Very low | 25.9 | Very low | 133 Ų | 133 | 157 Ų | 157 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | trans | -135.9 | 135.4 | 150.7 | 62.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1053 | K | 29 | Very low | 25.7 | Very low | 189 Ų | 189 | 150.6 Ų | 150.6 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | S | Bend | cis | -126.1 | 98.7 | 1.8 | -63.6 | 174.5 | 176.7 | -179.4 | 0 | 111.2 | ||
| 1054 | W | 24.8 | Very low | 25.6 | Very low | 148 Ų | 148 | 146.8 Ų | 146.8 | 56% | 0.561 | 77% | 0.771 | S | S | * | * | trans | -136.2 | 90.2 | 169.4 | -76.6 | 72.5 | 0 | 0 | 0 | 111.3 | K851 A852 | K851-W1054 HydrophobicContact CB-CE3 4.26Å; K851-W1054 HydrophobicContact CB-CH2 3.44Å; K851-W1054 VanDerWaalsContact CB-CH2 3.44Å; K851-W1054 HydrophobicContact CB-CZ2 3.77Å; K851-W1054 HydrophobicContact CB-CZ3 3.7Å; K851-W1054 HydrophobicContact CD-CD2 3.89Å; K851-W1054 HydrophobicContact CD-CE3 3.73Å; K851-W1054 HydrophobicContact CD-CG 4.49Å; K851-W1054 HydrophobicContact CD-CH2 4.44Å; K851-W1054 HydrophobicContact CD-CZ3 4.02Å; K851-W1054 HydrophobicContact CG-CD2 4.08Å; K851-W1054 HydrophobicContact CG-CE3 4.12Å; K851-W1054 HydrophobicContact CG-CH2 3.98Å; K851-W1054 HydrophobicContact CG-CZ2 3.91Å; K851-W1054 HydrophobicContact CG-CZ3 4.07Å; K851-W1054 VanDerWaalsContact O-CZ2 3.24Å; K851-W1054 WeakPolarHBondContact O-CZ2 3.39Å; A852-W1054 HydrophobicContact CB-CZ2 4.43Å | ||
| 1055 | R | 27.1 | Very low | 25.5 | Very low | 225 Ų | 225 | 144.9 Ų | 144.9 | 85% | 0.849 | 77% | 0.769 | S | S | * | * | trans | -138.5 | 135.3 | 156 | -68.7 | -163.8 | -158.9 | -99.6 | 6.7 | 109.7 | ||||
| 1056 | G | 22 | Very low | 25.4 | Very low | 63 Ų | 63 | 148.2 Ų | 148.2 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | trans | -119.3 | 153.5 | 143.3 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 1057 | W | 23.4 | Very low | 25.4 | Very low | 234 Ų | 234 | 149.7 Ų | 149.7 | 89% | 0.886 | 77% | 0.774 | S | S | * | * | trans | -81.6 | 144.8 | 179.1 | -64.8 | -41.6 | 0 | 0 | 0 | 111.5 | ||||
| 1058 | N | 23.3 | Very low | 25.2 | Very low | 165 Ų | 165 | 153.6 Ų | 153.6 | 88% | 0.882 | 79% | 0.789 | S | S | * | * | trans | -123.3 | 129.6 | 135.3 | -91 | -20.7 | 0 | 0 | 0 | 106.8 | ||||
| 1059 | K | 24.1 | Very low | 25.1 | Very low | 199 Ų | 199 | 151.7 Ų | 151.7 | 87% | 0.865 | 79% | 0.786 | S | S | * | * | trans | -122.7 | 109.5 | 173.5 | -109.8 | -167.9 | 175.7 | -172 | 0 | 107.1 | ||||
| 1060 | T | 23.4 | Very low | 25 | Very low | 135 Ų | 135 | 154.5 Ų | 154.5 | 83% | 0.828 | 79% | 0.787 | S | S | * | * | trans | -135.7 | 106.7 | 163.9 | -41 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1061 | S | 24.4 | Very low | 24.8 | Very low | 114 Ų | 114 | 152 Ų | 152 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | -88.6 | 115.2 | -176.4 | 45.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1062 | L | 22.8 | Very low | 24.6 | Very low | 172 Ų | 172 | 150 Ų | 150 | 90% | 0.901 | 79% | 0.785 | S | S | * | * | trans | -110.4 | 97.8 | 160.8 | -78.1 | 166.7 | 0 | 0 | 0 | 107.7 | ||||
| 1063 | S | 23.5 | Very low | 24.7 | Very low | 99 Ų | 99 | 147.2 Ų | 147.2 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | trans | -91 | 125 | 162 | 45.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1064 | L | 22.9 | Very low | 24.5 | Very low | 163 Ų | 163 | 146.8 Ų | 146.8 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | trans | -91 | 116 | 168.2 | -173.3 | 76.1 | 0 | 0 | 0 | 107.4 | ||||
| 1065 | D | 24.3 | Very low | 24.4 | Very low | 146 Ų | 146 | 147.9 Ų | 147.9 | 78% | 0.781 | 79% | 0.788 | S | S | * | * | trans | -85.3 | 149.2 | 169.5 | -72.4 | -45.8 | 0 | 0 | 0 | 110.5 | ||||
| 1066 | E | 23.3 | Very low | 25 | Very low | 158 Ų | 158 | 142 Ų | 142 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | trans | -137.5 | 119.3 | 165.6 | -95.8 | -167.1 | 166.3 | 0 | 0 | 110.2 | ||||
| 1067 | H | 25.9 | Very low | 25.1 | Very low | 150 Ų | 150 | 145.7 Ų | 145.7 | 69% | 0.694 | 78% | 0.783 | S | S | * | * | trans | 63.2 | 140.4 | 155.6 | -64.2 | -71.7 | 0 | 0 | 0 | 119.2 | ||||
| 1068 | D | 24.8 | Very low | 25.2 | Very low | 150 Ų | 150 | 141 Ų | 141 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | cis | -160.7 | 160.6 | 5.1 | -121.9 | -17.7 | 0 | 0 | 0 | 112.6 | ||||
| 1069 | G | 24.2 | Very low | 25.2 | Very low | 67 Ų | 67 | 138.6 Ų | 138.6 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | trans | 123.7 | 104 | 144.6 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 1070 | Y | 25.8 | Very low | 25.5 | Very low | 225 Ų | 225 | 136.5 Ų | 136.5 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | trans | 62.2 | 112.9 | 149.5 | -107.7 | -118.5 | 0 | 0 | 0 | 119.3 | ||||
| 1071 | S | 25.5 | Very low | 26.4 | Very low | 98 Ų | 98 | 135.7 Ų | 135.7 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | 74.7 | 124.7 | 65.1 | -175.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1072 | S | 27.1 | Very low | 27.1 | Very low | 117 Ų | 117 | 139.3 Ų | 139.3 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | cis | -154.2 | -146.5 | -10.7 | -156.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1073 | A | 26.3 | Very low | 27.3 | Very low | 75 Ų | 75 | 140.7 Ų | 140.7 | 62% | 0.62 | 77% | 0.773 | S | S | * | * | cis | -165.1 | 177.6 | 11.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1074 | E | 25.6 | Very low | 27.6 | Very low | 179 Ų | 179 | 143.7 Ų | 143.7 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | trans | 51.3 | 96.1 | 157.4 | -49.8 | -60.5 | 104.5 | 0 | 0 | 121.5 | ||||
| 1075 | E | 23.4 | Very low | 27.9 | Very low | 172 Ų | 172 | 143.5 Ų | 143.5 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | 4.6 | 176.4 | 117.5 | -86 | -174.1 | -144.3 | 0 | 0 | 122.3 | |||||
| 1076 | P | 38.4 | Very low | 28.5 | Very low | 102 Ų | 102 | 144.2 Ų | 144.2 | 66% | 0.662 | 77% | 0.774 | S | S | * | * | cis | -141.5 | 166.8 | 12.7 | 16.6 | 12.2 | 0 | 0 | 0 | 120.8 | ||||
| 1077 | L | 24.8 | Very low | 29.6 | Very low | 139 Ų | 139 | 145.3 Ų | 145.3 | 73% | 0.728 | 78% | 0.777 | S | S | * | * | trans | 65.4 | 121.6 | 138.2 | -68.1 | 166.9 | 0 | 0 | 0 | 125 | ||||
| 1078 | N | 24.6 | Very low | 31 | Very low | 135 Ų | 135 | 145.8 Ų | 145.8 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | 131 | 141.1 | 107.5 | -95.7 | -17.3 | 0 | 0 | 0 | 121.5 | |||||
| 1079 | S | 24.7 | Very low | 33 | Very low | 115 Ų | 115 | 139.8 Ų | 139.8 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | trans | 82 | 133 | 154.7 | 25.6 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1080 | D | 30 | Very low | 35 | Very low | 155 Ų | 155 | 141 Ų | 141 | 83% | 0.829 | 74% | 0.741 | S | S | * | * | trans | -49.1 | 170.5 | 163.7 | -79.2 | -57.4 | 0 | 0 | 0 | 116.5 | ||||
| 1081 | P | 41.5 | Very low | 36.8 | Very low | 118 Ų | 118 | 134.8 Ų | 134.8 | 77% | 0.766 | 74% | 0.737 | S | S | * | * | cis | -145.5 | -159.6 | 33.7 | 45.9 | -24.8 | 0 | 0 | 0 | 118.4 | ||||
| 1082 | E | 39.1 | Very low | 39.1 | Very low | 190 Ų | 190 | 131.6 Ų | 131.6 | 89% | 0.888 | 72% | 0.719 | S | S | * | * | trans | -53.7 | 151.3 | 178.8 | -50.8 | 173.8 | 124.9 | 0 | 0 | 115.4 | ||||
| 1083 | E | 28.6 | Very low | 41.8 | Very low | 201 Ų | 201 | 131.8 Ų | 131.8 | 94% | 0.939 | 71% | 0.705 | S | S | * | * | trans | -149.8 | 156.7 | 156.6 | -146.8 | 169.5 | -131.7 | 0 | 0 | 111.7 | ||||
| 1084 | E | 29.3 | Very low | 44.7 | Very low | 163 Ų | 163 | 128.7 Ų | 128.7 | 76% | 0.762 | 68% | 0.678 | S | S | * | * | trans | -84.7 | 144.2 | -159.7 | -65.7 | -169.7 | 101.3 | 0 | 0 | 116.1 | H1086 | E1084-H1086 PolarHBondContact O-N 2.87Š| ||
| 1085 | N | 30 | Very low | 47.6 | Very low | 159 Ų | 159 | 121.8 Ų | 121.8 | 85% | 0.85 | 65% | 0.648 | S | S | * | * | trans | -87.3 | 72 | -174.9 | -162.8 | -9.1 | 0 | 0 | 0 | 112.4 | K1087 | N1085-K1087 PolarHBondContact O-N 3.07Š| ||
| 1086 | H | 35.2 | Very low | 50.6 | Low | 160 Ų | 160 | 113.6 Ų | 113.6 | 74% | 0.741 | 61% | 0.609 | S | S | * | * | trans | -62.4 | 104.2 | 179.7 | -71.1 | -71.9 | 0 | 0 | 0 | 112.8 | E1084 K1088 | E1084-H1086 PolarHBondContact O-N 2.87Å; H1086-K1088 PolarHBondContact O-N 3.43Å; H1086-K1088 VanDerWaalsContact O-N 3.09Å | ||
| 1087 | K | 47.5 | Very low | 52.7 | Low | 182 Ų | 182 | 113.6 Ų | 113.6 | 79% | 0.791 | 60% | 0.602 | S | S | * | * | trans | -69 | 102.8 | 170.8 | -71.7 | -178.6 | -180 | 174.7 | 0 | 110.9 | N1085 L1089 | N1085-K1087 PolarHBondContact O-N 3.07Å; K1087-L1089 PolarHBondContact O-N 3.1Å | ||
| 1088 | K | 55.5 | Low | 55.2 | Low | 159 Ų | 159 | 109 Ų | 109 | 69% | 0.691 | 58% | 0.584 | S | S | * | * | trans | -68.6 | 122.5 | 173 | -166.6 | 155.6 | -168.1 | 156.5 | 0 | 110.8 | H1086 E1121 | H1086-K1088 PolarHBondContact O-N 3.43Å; H1086-K1088 VanDerWaalsContact O-N 3.09Å; K1088-E1121 WeakPolarHBondContact CE-OE2 3.49Å; K1088-E1121 IonicContact NZ-OE2 2.87Å | ||
| 1089 | L | 66.3 | Low | 57.9 | Low | 25 Ų | 25 | 107.9 Ų | 107.9 | 13% | 0.131 | 58% | 0.578 | C | S | . | * | trans | -80 | 149.8 | 177.1 | -55.6 | -174.6 | 0 | 0 | 0 | 110.7 | K1087 Y1094 L1118 W1127 A1142 L1145 | K1087-L1089 PolarHBondContact O-N 3.1Å; L1089-Y1094 HydrophobicContact CD1-CE1 4.39Å; L1089-Y1094 HydrophobicContact CD2-CE1 4.04Å; L1089-L1118 HydrophobicContact CB-CD1 3.82Å; L1089-L1118 HydrophobicContact CD1-CD1 4.25Å; L1089-W1127 HydrophobicContact CB-CH2 4.34Å; L1089-W1127 HydrophobicContact CB-CZ2 3.76Å; L1089-W1127 HydrophobicContact CD1-CG 4.48Å; L1089-A1142 HydrophobicContact CD1-CB 3.9Å; L1089-A1142 HydrophobicContact CG-CB 4.4Å; L1089-L1145 HydrophobicContact CD1-CB 4.37Å; L1089-L1145 HydrophobicContact CD1-CD1 4.31Å | ||
| 1090 | C | 65.4 | Low | 60.2 | Low | 91 Ų | 91 | 104.8 Ų | 104.8 | 62% | 0.615 | 55% | 0.549 | S | S | * | . | trans | -112 | 148.1 | 177.7 | -66.5 | 0 | 0 | 0 | 0 | 110.9 | G1092 Y1094 L1118 | C1090-G1092 PolarHBondContact O-N 3.4Å; C1090-Y1094 PolarHBondContact N-OH 3.48Å; C1090-Y1094 VanDerWaalsContact N-OH 3.13Å; C1090-Y1094 VanDerWaalsContact O-CE2 3.28Å; C1090-Y1094 WeakPolarHBondContact O-CE2 3.47Å; C1090-Y1094 PolarHBondContact O-OH 3.26Å; C1090-L1118 WeakPolarHBondContact O-CD1 3.13Å | ||
| 1091 | A | 65.2 | Low | 62 | Low | 96 Ų | 96 | 105 Ų | 105 | 79% | 0.793 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -53.2 | 125.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 1092 | G | 72.3 | Confident | 62.9 | Low | 30 Ų | 30 | 103.3 Ų | 103.3 | 31% | 0.309 | 53% | 0.53 | S | S | . | . | S | Bend | trans | 171.2 | -169.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | C1090 L1118 | C1090-G1092 PolarHBondContact O-N 3.4Å; G1092-L1118 PolarHBondContact O-N 3.31Å |
| 1093 | K | 84.8 | Confident | 63.6 | Low | 122 Ų | 122 | 98.4 Ų | 98.4 | 53% | 0.53 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 134.7 | 175.2 | -63.7 | -174.7 | 179.5 | -178.6 | 0 | 110.7 | V1116 L1132 | K1093-V1116 WeakPolarHBondContact CA-O 3.46Å; K1093-L1132 HydrophobicContact CD-CD1 3.69Å; K1093-L1132 HydrophobicContact CG-CD1 4Å |
| 1094 | Y | 85.9 | Confident | 64.6 | Low | 9 Ų | 9 | 91.1 Ų | 91.1 | 4% | 0.035 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 152.1 | -175.1 | -70.6 | -104.5 | 0 | 0 | 0 | 109.9 | L1089 C1090 M1115 V1116 L1118 L1145 M1146 T1147 | L1089-Y1094 HydrophobicContact CD1-CE1 4.39Å; L1089-Y1094 HydrophobicContact CD2-CE1 4.04Å; C1090-Y1094 PolarHBondContact N-OH 3.48Å; C1090-Y1094 VanDerWaalsContact N-OH 3.13Å; C1090-Y1094 VanDerWaalsContact O-CE2 3.28Å; C1090-Y1094 WeakPolarHBondContact O-CE2 3.47Å; C1090-Y1094 PolarHBondContact O-OH 3.26Å; Y1094-M1115 WeakPolarHBondContact O-CA 3.32Å; Y1094-V1116 PolarHBondContact N-O 3.2Å; Y1094-V1116 PolarHBondContact O-N 2.83Å; Y1094-L1118 HydrophobicContact CD2-CD1 3.88Å; Y1094-L1118 HydrophobicContact CD2-CD2 4.17Å; Y1094-L1118 HydrophobicContact CD2-CG 3.63Å; Y1094-L1118 HydrophobicContact CE2-CD1 3.35Å; Y1094-L1118 HydrophobicContact CE2-CD2 4.46Å; Y1094-L1118 HydrophobicContact CE2-CG 3.6Å; Y1094-L1145 HydrophobicContact CD1-CB 4.11Å; Y1094-L1145 HydrophobicContact CG-CB 4.45Å; Y1094-M1146 WeakPolarHBondContact CA-O 3.5Å; Y1094-T1147 HydrophobicContact CE1-CG2 4.34Å; Y1094-T1147 WeakPolarHBondContact CE1-OG1 3.48Å |
| 1095 | T | 88.1 | Confident | 65.5 | Low | 34 Ų | 34 | 89 Ų | 89 | 21% | 0.209 | 51% | 0.514 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 132 | 170.7 | -59.5 | 0 | 0 | 0 | 0 | 109.3 | D1114 M1146 | T1095-D1114 WeakPolarHBondContact CA-O 3.32Å; T1095-M1146 PolarHBondContact N-O 3.27Å; T1095-M1146 PolarHBondContact O-N 3.44Å |
| 1096 | V | 86.3 | Confident | 66.6 | Low | 0 Ų | 0 | 87.6 Ų | 87.6 | 0% | 0 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 130.1 | 173.7 | 177.3 | 0 | 0 | 0 | 0 | 109.2 | A1098 V1110 S1112 G1113 D1114 V1116 M1140 L1145 | V1096-A1098 WeakPolarHBondContact CG1-O 3.25Å; V1096-V1110 HydrophobicContact CG1-CB 4.34Å; V1096-V1110 HydrophobicContact CG1-CG2 4.28Å; V1096-V1110 HydrophobicContact CG2-CB 4.27Å; V1096-V1110 HydrophobicContact CG2-CG1 4.31Å; V1096-S1112 CarbonylContact O-C 3.49Å; V1096-S1112 WeakPolarHBondContact O-CA 3.26Å; V1096-G1113 PolarHBondContact O-N 2.91Å; V1096-D1114 HydrophobicContact CB-CB 4.49Å; V1096-D1114 HydrophobicContact CG2-CB 4.36Å; V1096-D1114 PolarHBondContact N-O 2.94Å; V1096-V1116 HydrophobicContact CG2-CB 4.38Å; V1096-V1116 HydrophobicContact CG2-CG1 3.56Å; V1096-V1116 HydrophobicContact CG2-CG2 3.91Å; V1096-M1140 HydrophobicContact CG1-SD 4.22Å; V1096-M1140 HydrophobicContact CG2-CE 3.97Å; V1096-M1140 HydrophobicContact CG2-SD 4.11Å; V1096-L1145 HydrophobicContact CG2-CD2 4.09Å |
| 1097 | M | 82.4 | Confident | 68.1 | Low | 102 Ų | 102 | 84 Ų | 84 | 50% | 0.502 | 49% | 0.491 | S | S | . | . | trans | -94.5 | -19.6 | -171.7 | -69.6 | -61.5 | -62.5 | 0 | 0 | 114.5 | S1112 N1144 M1146 | M1097-S1112 PolarHBondContact O-OG 3.48Å; M1097-N1144 WeakPolarHBondContact CB-O 3.45Å; M1097-N1144 PolarHBondContact N-O 2.88Å; M1097-M1146 HydrophobicContact CE-CG 4.23Å; M1097-M1146 HydrophobicContact CG-CB 3.9Å; M1097-M1146 HydrophobicContact CG-CG 3.57Å; M1097-M1146 HydrophobicContact SD-CB 3.69Å; M1097-M1146 HydrophobicContact SD-CG 3.55Å; M1097-M1146 VanDerWaalsContact SD-CG 3.55Å | ||
| 1098 | A | 77.6 | Confident | 69.2 | Low | 44 Ų | 44 | 75.5 Ų | 75.5 | 36% | 0.364 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -143.5 | 149.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | V1096 Y1100 | V1096-A1098 WeakPolarHBondContact CG1-O 3.25Å; A1098-Y1100 PolarHBondContact O-N 2.83Å |
| 1099 | D | 79.9 | Confident | 70.3 | Confident | 111 Ų | 111 | 72.9 Ų | 72.9 | 59% | 0.594 | 45% | 0.447 | S | S | * | . | trans | -59.8 | 132.1 | 172.3 | -69.6 | 3.7 | 0 | 0 | 0 | 109.5 | K1111 S1112 | D1099-K1111 VanDerWaalsContact OD1-CA 3.27Å; D1099-K1111 WeakPolarHBondContact OD1-CA 3.33Å; D1099-K1111 WeakPolarHBondContact OD1-CB 3.46Å; D1099-S1112 PolarHBondContact OD1-N 3.09Å | ||
| 1100 | Y | 72.9 | Confident | 70.8 | Confident | 50 Ų | 50 | 71.9 Ų | 71.9 | 20% | 0.196 | 44% | 0.442 | C | S | . | . | B | Isolated β-bridge | trans | -136.3 | 117.5 | -175.4 | 178.6 | -91.9 | 0 | 0 | 0 | 110.2 | A1098 N1102 V1110 W1139 M1140 | A1098-Y1100 PolarHBondContact O-N 2.83Å; Y1100-N1102 HydrophobicContact CE1-CB 4.45Å; Y1100-V1110 HydrophobicContact CD1-CG2 4.17Å; Y1100-V1110 HydrophobicContact CG-CG2 4.47Å; Y1100-V1110 PolarHBondContact N-O 2.95Å; Y1100-V1110 VanDerWaalsContact N-O 3.11Å; Y1100-V1110 PolarHBondContact O-N 2.94Å; Y1100-W1139 VanDerWaalsContact CE1-O 3.23Å; Y1100-W1139 WeakPolarHBondContact CE1-O 3.33Å; Y1100-W1139 PolarHBondContact OH-O 3.14Å; Y1100-W1139 VanDerWaalsContact OH-O 3.08Å; Y1100-M1140 HydrophobicContact CD1-CE 4.49Å; Y1100-M1140 HydrophobicContact CD1-CG 4.36Å; Y1100-M1140 HydrophobicContact CE1-CG 4.4Å; Y1100-M1140 HydrophobicContact CG-CG 4.46Å |
| 1101 | E | 69.3 | Low | 71.5 | Confident | 159 Ų | 159 | 74.1 Ų | 74.1 | 74% | 0.743 | 44% | 0.441 | S | S | * | . | trans | -118.7 | 118.6 | 173.5 | -75.7 | -174.1 | 156.1 | 0 | 0 | 108.2 | L1109 | E1101-L1109 HydrophobicContact CG-CD2 3.67Å; E1101-L1109 WeakPolarHBondContact OE1-CD2 3.27Å | ||
| 1102 | N | 60.4 | Low | 72.3 | Confident | 83 Ų | 83 | 73 Ų | 73 | 44% | 0.444 | 43% | 0.427 | S | S | . | . | trans | -88.2 | 138.1 | 164.2 | -160.7 | 16.2 | 0 | 0 | 0 | 109.4 | Y1100 A1104 E1107 | Y1100-N1102 HydrophobicContact CE1-CB 4.45Å; N1102-A1104 PolarHBondContact O-N 3.05Å; N1102-E1107 PolarHBondContact ND2-OE2 3.18Å | ||
| 1103 | G | 53.3 | Low | 72.5 | Confident | 87 Ų | 87 | 73.9 Ų | 73.9 | 90% | 0.897 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -73.2 | 20.6 | -163.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 1104 | A | 49.1 | Very low | 72.4 | Confident | 48 Ų | 48 | 69.5 Ų | 69.5 | 40% | 0.397 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -111.7 | 139.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | N1102 D1106 E1107 | N1102-A1104 PolarHBondContact O-N 3.05Å; A1104-D1106 PolarHBondContact O-N 3.3Å; A1104-E1107 HydrophobicContact CB-CG 4.07Å; A1104-E1107 PolarHBondContact O-N 3.3Å |
| 1105 | A | 48.8 | Very low | 72.5 | Confident | 117 Ų | 117 | 72.9 Ų | 72.9 | 97% | 0.967 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | 7.3 | -159.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 1106 | D | 52.8 | Low | 72.4 | Confident | 131 Ų | 131 | 71.2 Ų | 71.2 | 70% | 0.701 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143.9 | 11.2 | 176 | -147.8 | -4.7 | 0 | 0 | 0 | 114.5 | A1104 K1136 | A1104-D1106 PolarHBondContact O-N 3.3Å; D1106-K1136 PolarHBondContact O-NZ 3.42Å; D1106-K1136 IonicContact OD1-NZ 2.68Å; D1106-K1136 PolarHBondContact OD1-NZ 2.9Å |
| 1107 | E | 65.9 | Low | 72.6 | Confident | 84 Ų | 84 | 75 Ų | 75 | 39% | 0.393 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -86 | -172.3 | -173.9 | -70.1 | -161.8 | 177.4 | 0 | 0 | 114.8 | N1102 A1104 L1109 | N1102-E1107 PolarHBondContact ND2-OE2 3.18Å; A1104-E1107 HydrophobicContact CB-CG 4.07Å; A1104-E1107 PolarHBondContact O-N 3.3Å; E1107-L1109 PolarHBondContact O-N 3.46Å |
| 1108 | L | 71.1 | Confident | 72.8 | Confident | 4 Ų | 4 | 70.7 Ų | 70.7 | 2% | 0.021 | 42% | 0.422 | C | S | . | . | trans | -71.1 | 103.2 | -172.8 | -177.8 | 66.2 | 0 | 0 | 0 | 112.6 | V1110 V1129 N1131 K1136 M1140 | L1108-V1110 HydrophobicContact CD1-CG1 3.94Å; L1108-V1110 HydrophobicContact CD2-CG1 4.17Å; L1108-V1110 HydrophobicContact CG-CG1 3.91Å; L1108-V1110 HydrophobicContact CG-CG2 4.48Å; L1108-V1129 HydrophobicContact CD2-CG2 3.66Å; L1108-N1131 HydrophobicContact CD1-CB 3.86Å; L1108-K1136 HydrophobicContact CD1-CB 3.98Å; L1108-M1140 HydrophobicContact CD2-CE 3.96Å | ||
| 1109 | L | 77.7 | Confident | 73 | Confident | 104 Ų | 104 | 72 Ų | 72 | 55% | 0.545 | 43% | 0.426 | S | S | . | . | trans | -80.9 | 123.7 | 160.7 | -82.8 | 147 | 0 | 0 | 0 | 110.2 | E1101 E1107 | E1101-L1109 HydrophobicContact CG-CD2 3.67Å; E1101-L1109 WeakPolarHBondContact OE1-CD2 3.27Å; E1107-L1109 PolarHBondContact O-N 3.46Å | ||
| 1110 | V | 76.9 | Confident | 73 | Confident | 4 Ų | 4 | 72.6 Ų | 72.6 | 2% | 0.024 | 42% | 0.423 | C | S | . | . | B | Isolated β-bridge | trans | -140.2 | 147.6 | 174.2 | -81.7 | 0 | 0 | 0 | 0 | 110.8 | V1096 Y1100 L1108 D1114 V1116 N1131 M1140 | V1096-V1110 HydrophobicContact CG1-CB 4.34Å; V1096-V1110 HydrophobicContact CG1-CG2 4.28Å; V1096-V1110 HydrophobicContact CG2-CB 4.27Å; V1096-V1110 HydrophobicContact CG2-CG1 4.31Å; Y1100-V1110 HydrophobicContact CD1-CG2 4.17Å; Y1100-V1110 HydrophobicContact CG-CG2 4.47Å; Y1100-V1110 PolarHBondContact N-O 2.95Å; Y1100-V1110 VanDerWaalsContact N-O 3.11Å; Y1100-V1110 PolarHBondContact O-N 2.94Å; L1108-V1110 HydrophobicContact CD1-CG1 3.94Å; L1108-V1110 HydrophobicContact CD2-CG1 4.17Å; L1108-V1110 HydrophobicContact CG-CG1 3.91Å; L1108-V1110 HydrophobicContact CG-CG2 4.48Å; V1110-D1114 WeakPolarHBondContact CA-OD2 3.26Å; V1110-D1114 HydrophobicContact CG1-CB 4.47Å; V1110-V1116 HydrophobicContact CG1-CG1 4.01Å; V1110-N1131 HydrophobicContact CG1-CB 4.02Å; V1110-N1131 WeakPolarHBondContact CG1-ND2 3.33Å; V1110-M1140 HydrophobicContact CB-CE 4.27Å; V1110-M1140 HydrophobicContact CG1-CE 4.16Å; V1110-M1140 HydrophobicContact CG2-CE 3.44Å; V1110-M1140 VanDerWaalsContact CG2-CE 3.44Å |
| 1111 | K | 80.3 | Confident | 73.5 | Confident | 138 Ų | 138 | 73.9 Ų | 73.9 | 60% | 0.6 | 43% | 0.431 | S | S | * | . | trans | -115.4 | 157.5 | 175.2 | -63 | -167.8 | 177.1 | -168.6 | 0 | 112.2 | D1099 G1113 D1114 | D1099-K1111 VanDerWaalsContact OD1-CA 3.27Å; D1099-K1111 WeakPolarHBondContact OD1-CA 3.33Å; D1099-K1111 WeakPolarHBondContact OD1-CB 3.46Å; K1111-G1113 PolarHBondContact O-N 3.3Å; K1111-G1113 VanDerWaalsContact O-N 3.17Å; K1111-D1114 PolarHBondContact N-OD2 3.1Å; K1111-D1114 WeakPolarHBondContact O-CB 3.45Å; K1111-D1114 PolarHBondContact O-N 3.15Å | ||
| 1112 | S | 82 | Confident | 73.7 | Confident | 72 Ų | 72 | 66.7 Ų | 66.7 | 50% | 0.503 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 120.2 | 170.9 | -171.8 | 0 | 0 | 0 | 0 | 109.8 | V1096 M1097 D1099 | V1096-S1112 CarbonylContact O-C 3.49Å; V1096-S1112 WeakPolarHBondContact O-CA 3.26Å; M1097-S1112 PolarHBondContact O-OG 3.48Å; D1099-S1112 PolarHBondContact OD1-N 3.09Å |
| 1113 | G | 76.9 | Confident | 74 | Confident | 49 Ų | 49 | 70.4 Ų | 70.4 | 51% | 0.505 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.8 | -13 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | V1096 K1111 | V1096-G1113 PolarHBondContact O-N 2.91Å; K1111-G1113 PolarHBondContact O-N 3.3Å; K1111-G1113 VanDerWaalsContact O-N 3.17Å |
| 1114 | D | 83.5 | Confident | 74.4 | Confident | 30 Ų | 30 | 73.2 Ų | 73.2 | 16% | 0.16 | 41% | 0.414 | C | S | . | . | trans | -63 | 144.2 | 174 | -91.8 | -37.7 | 0 | 0 | 0 | 111.5 | T1095 V1096 V1110 K1111 N1131 N1133 | T1095-D1114 WeakPolarHBondContact CA-O 3.32Å; V1096-D1114 HydrophobicContact CB-CB 4.49Å; V1096-D1114 HydrophobicContact CG2-CB 4.36Å; V1096-D1114 PolarHBondContact N-O 2.94Å; V1110-D1114 WeakPolarHBondContact CA-OD2 3.26Å; V1110-D1114 HydrophobicContact CG1-CB 4.47Å; K1111-D1114 PolarHBondContact N-OD2 3.1Å; K1111-D1114 WeakPolarHBondContact O-CB 3.45Å; K1111-D1114 PolarHBondContact O-N 3.15Å; D1114-N1131 PolarHBondContact OD2-ND2 3.49Å; D1114-N1133 PolarHBondContact OD1-ND2 3.47Å | ||
| 1115 | M | 87.1 | Confident | 75.1 | Confident | 79 Ų | 79 | 73 Ų | 73 | 39% | 0.389 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 120.8 | 173.1 | -72 | -174.6 | -71.6 | 0 | 0 | 110.2 | Y1094 L1132 | Y1094-M1115 WeakPolarHBondContact O-CA 3.32Å; M1115-L1132 HydrophobicContact CB-CB 4.47Å; M1115-L1132 HydrophobicContact CB-CD1 4.35Å; M1115-L1132 WeakPolarHBondContact O-CB 3.42Å; M1115-L1132 PolarHBondContact O-N 2.91Å |
| 1116 | V | 87.3 | Confident | 76.4 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 151.8 | 173.2 | -62.3 | 0 | 0 | 0 | 0 | 111 | K1093 Y1094 V1096 V1110 V1129 R1130 N1131 L1145 | K1093-V1116 WeakPolarHBondContact CA-O 3.46Å; Y1094-V1116 PolarHBondContact N-O 3.2Å; Y1094-V1116 PolarHBondContact O-N 2.83Å; V1096-V1116 HydrophobicContact CG2-CB 4.38Å; V1096-V1116 HydrophobicContact CG2-CG1 3.56Å; V1096-V1116 HydrophobicContact CG2-CG2 3.91Å; V1110-V1116 HydrophobicContact CG1-CG1 4.01Å; V1116-V1129 HydrophobicContact CB-CB 4.06Å; V1116-V1129 HydrophobicContact CB-CG2 3.98Å; V1116-V1129 HydrophobicContact CG1-CG2 4.02Å; V1116-V1129 HydrophobicContact CG2-CB 4.29Å; V1116-V1129 HydrophobicContact CG2-CG2 4.25Å; V1116-R1130 CarbonylContact C-O 3.55Å; V1116-R1130 VanDerWaalsContact CA-O 3.27Å; V1116-R1130 WeakPolarHBondContact CA-O 3.17Å; V1116-N1131 HydrophobicContact CG1-CB 4.21Å; V1116-L1145 HydrophobicContact CG2-CD2 3.53Å |
| 1117 | Q | 88.5 | Confident | 77.9 | Confident | 80 Ų | 80 | 65.7 Ų | 65.7 | 37% | 0.374 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 132 | 170.3 | 178.8 | 172.2 | -1.9 | 0 | 0 | 109.4 | V1119 V1129 R1130 L1132 | Q1117-V1119 PolarHBondContact O-N 3.14Å; Q1117-V1129 VanDerWaalsContact O-CA 3.27Å; Q1117-V1129 WeakPolarHBondContact O-CA 3.45Å; Q1117-R1130 PolarHBondContact N-O 2.99Å; Q1117-R1130 PolarHBondContact O-N 3.33Å; Q1117-L1132 HydrophobicContact CB-CD1 4.45Å; Q1117-L1132 HydrophobicContact CB-CD2 3.97Å; Q1117-L1132 HydrophobicContact CB-CG 4.34Å |
| 1118 | L | 86.8 | Confident | 78.9 | Confident | 10 Ų | 10 | 64.1 Ų | 64.1 | 5% | 0.052 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 129.2 | 171.9 | -58.4 | -174.3 | 0 | 0 | 0 | 109.6 | L1089 C1090 G1092 Y1094 W1127 V1129 L1145 | L1089-L1118 HydrophobicContact CB-CD1 3.82Å; L1089-L1118 HydrophobicContact CD1-CD1 4.25Å; C1090-L1118 WeakPolarHBondContact O-CD1 3.13Å; G1092-L1118 PolarHBondContact O-N 3.31Å; Y1094-L1118 HydrophobicContact CD2-CD1 3.88Å; Y1094-L1118 HydrophobicContact CD2-CD2 4.17Å; Y1094-L1118 HydrophobicContact CD2-CG 3.63Å; Y1094-L1118 HydrophobicContact CE2-CD1 3.35Å; Y1094-L1118 HydrophobicContact CE2-CD2 4.46Å; Y1094-L1118 HydrophobicContact CE2-CG 3.6Å; L1118-W1127 HydrophobicContact CB-CE3 3.9Å; L1118-W1127 HydrophobicContact CB-CZ3 4.15Å; L1118-W1127 HydrophobicContact CD1-CD2 4.11Å; L1118-W1127 HydrophobicContact CD1-CE3 3.72Å; L1118-W1127 HydrophobicContact CD1-CH2 4.26Å; L1118-W1127 HydrophobicContact CD1-CZ3 3.8Å; L1118-W1127 HydrophobicContact CD2-CB 4.03Å; L1118-W1127 HydrophobicContact CD2-CD2 4.17Å; L1118-W1127 HydrophobicContact CD2-CE3 4.03Å; L1118-W1127 HydrophobicContact CD2-CG 4.2Å; L1118-W1127 HydrophobicContact CG-CE3 4.09Å; L1118-W1127 HydrophobicContact CG-CZ3 4.48Å; L1118-V1129 HydrophobicContact CD2-CG1 3.6Å; L1118-L1145 HydrophobicContact CD2-CD1 3.68Å |
| 1119 | V | 82.7 | Confident | 79.7 | Confident | 73 Ų | 73 | 64 Ų | 64 | 44% | 0.442 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | -45.2 | 179 | -176.8 | 0 | 0 | 0 | 0 | 110.8 | Q1117 F1128 R1130 | Q1117-V1119 PolarHBondContact O-N 3.14Å; V1119-F1128 WeakPolarHBondContact CA-O 3.49Å; V1119-F1128 HydrophobicContact CB-CD1 4Å; V1119-F1128 WeakPolarHBondContact CB-O 3.48Å; V1119-F1128 HydrophobicContact CG1-CD1 4.07Å; V1119-F1128 PolarHBondContact N-O 2.94Å; V1119-R1130 HydrophobicContact CG2-CB 4.03Å |
| 1120 | K | 80.5 | Confident | 80.2 | Confident | 123 Ų | 123 | 63.9 Ų | 63.9 | 54% | 0.535 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 145.7 | 177.4 | -158 | -149.8 | 168.2 | -155.8 | 0 | 112 | W1127 F1128 | K1120-W1127 WeakPolarHBondContact O-CA 3.47Å; K1120-F1128 HydrophobicContact CB-CB 4.3Å; K1120-F1128 PolarHBondContact N-O 3.16Å; K1120-F1128 PolarHBondContact O-N 3.48Å |
| 1121 | E | 82.4 | Confident | 80.6 | Confident | 76 Ų | 76 | 63.7 Ų | 63.7 | 36% | 0.355 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 140.3 | 163.3 | -162.8 | 161.7 | -142.8 | 0 | 0 | 109.3 | K1088 W1127 | K1088-E1121 WeakPolarHBondContact CE-OE2 3.49Å; K1088-E1121 IonicContact NZ-OE2 2.87Å; E1121-W1127 HydrophobicContact CB-CD2 4.24Å; E1121-W1127 HydrophobicContact CB-CE3 4.1Å; E1121-W1127 HydrophobicContact CB-CH2 3.69Å; E1121-W1127 HydrophobicContact CB-CZ2 3.78Å; E1121-W1127 HydrophobicContact CB-CZ3 3.84Å; E1121-W1127 HydrophobicContact CG-CD2 4.35Å; E1121-W1127 HydrophobicContact CG-CH2 4.01Å; E1121-W1127 HydrophobicContact CG-CZ2 3.56Å; E1121-W1127 VanDerWaalsContact OE1-CZ2 3.23Å; E1121-W1127 WeakPolarHBondContact OE1-CZ2 3.49Å |
| 1122 | G | 74.6 | Confident | 80.7 | Confident | 9 Ų | 9 | 59.7 Ų | 59.7 | 9% | 0.093 | 33% | 0.325 | C | S | . | . | trans | -117.2 | 158 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | D1124 G1125 Q1126 | G1122-D1124 VanDerWaalsContact C-N 3.26Å; G1122-D1124 PolarHBondContact O-N 3.23Å; G1122-G1125 PolarHBondContact O-N 2.9Å; G1122-Q1126 WeakPolarHBondContact CA-O 3.42Å; G1122-Q1126 PolarHBondContact N-O 2.93Å | ||
| 1123 | D | 65.3 | Low | 80.5 | Confident | 160 Ų | 160 | 60.9 Ų | 60.9 | 86% | 0.856 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -21.7 | -161.7 | -49.8 | -63.8 | 0 | 0 | 0 | 113.6 | G1125 | D1123-G1125 PolarHBondContact O-N 2.9Š|
| 1124 | D | 63.3 | Low | 80.7 | Confident | 146 Ų | 146 | 62.1 Ų | 62.1 | 78% | 0.781 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 24.7 | -179.6 | -58.9 | -43.6 | 0 | 0 | 0 | 114.1 | G1122 Q1126 | G1122-D1124 VanDerWaalsContact C-N 3.26Å; G1122-D1124 PolarHBondContact O-N 3.23Å; D1124-Q1126 PolarHBondContact O-N 3.36Å; D1124-Q1126 VanDerWaalsContact O-N 3.16Å |
| 1125 | G | 63.1 | Low | 80.5 | Confident | 44 Ų | 44 | 65.1 Ų | 65.1 | 45% | 0.454 | 35% | 0.347 | S | S | . | . | S | Bend | trans | 69.8 | 9.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | G1122 D1123 A1142 | G1122-G1125 PolarHBondContact O-N 2.9Å; D1123-G1125 PolarHBondContact O-N 2.9Å; G1125-A1142 PolarHBondContact O-N 2.92Å |
| 1126 | Q | 76.8 | Confident | 80.1 | Confident | 74 Ų | 74 | 65 Ų | 65 | 35% | 0.346 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 148.5 | 170.2 | -58 | -170.3 | 28.3 | 0 | 0 | 110.5 | G1122 D1124 W1139 M1140 | G1122-Q1126 WeakPolarHBondContact CA-O 3.42Å; G1122-Q1126 PolarHBondContact N-O 2.93Å; D1124-Q1126 PolarHBondContact O-N 3.36Å; D1124-Q1126 VanDerWaalsContact O-N 3.16Å; Q1126-W1139 HydrophobicContact CB-CE3 4.06Å; Q1126-M1140 WeakPolarHBondContact CA-O 3.25Å |
| 1127 | W | 84.1 | Confident | 80.1 | Confident | 20 Ų | 20 | 68.5 Ų | 68.5 | 8% | 0.076 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 136.7 | 175.4 | -75.3 | 74.1 | 0 | 0 | 0 | 110 | L1089 L1118 K1120 E1121 V1129 W1139 M1140 | L1089-W1127 HydrophobicContact CB-CH2 4.34Å; L1089-W1127 HydrophobicContact CB-CZ2 3.76Å; L1089-W1127 HydrophobicContact CD1-CG 4.48Å; L1118-W1127 HydrophobicContact CB-CE3 3.9Å; L1118-W1127 HydrophobicContact CB-CZ3 4.15Å; L1118-W1127 HydrophobicContact CD1-CD2 4.11Å; L1118-W1127 HydrophobicContact CD1-CE3 3.72Å; L1118-W1127 HydrophobicContact CD1-CH2 4.26Å; L1118-W1127 HydrophobicContact CD1-CZ3 3.8Å; L1118-W1127 HydrophobicContact CD2-CB 4.03Å; L1118-W1127 HydrophobicContact CD2-CD2 4.17Å; L1118-W1127 HydrophobicContact CD2-CE3 4.03Å; L1118-W1127 HydrophobicContact CD2-CG 4.2Å; L1118-W1127 HydrophobicContact CG-CE3 4.09Å; L1118-W1127 HydrophobicContact CG-CZ3 4.48Å; K1120-W1127 WeakPolarHBondContact O-CA 3.47Å; E1121-W1127 HydrophobicContact CB-CD2 4.24Å; E1121-W1127 HydrophobicContact CB-CE3 4.1Å; E1121-W1127 HydrophobicContact CB-CH2 3.69Å; E1121-W1127 HydrophobicContact CB-CZ2 3.78Å; E1121-W1127 HydrophobicContact CB-CZ3 3.84Å; E1121-W1127 HydrophobicContact CG-CD2 4.35Å; E1121-W1127 HydrophobicContact CG-CH2 4.01Å; E1121-W1127 HydrophobicContact CG-CZ2 3.56Å; E1121-W1127 VanDerWaalsContact OE1-CZ2 3.23Å; E1121-W1127 WeakPolarHBondContact OE1-CZ2 3.49Å; W1127-V1129 HydrophobicContact CB-CG1 3.96Å; W1127-W1139 VanDerWaalsContact C-CE3 3.47Å; W1127-W1139 WeakPolarHBondContact O-CA 3.41Å; W1127-M1140 PolarHBondContact N-O 3.1Å; W1127-M1140 PolarHBondContact O-N 2.91Å |
| 1128 | F | 86.1 | Confident | 79.9 | Confident | 52 Ų | 52 | 65 Ų | 65 | 23% | 0.228 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 122.1 | 167.6 | -164.1 | -114.1 | 0 | 0 | 0 | 107.8 | V1119 K1120 E1137 G1138 W1139 | V1119-F1128 WeakPolarHBondContact CA-O 3.49Å; V1119-F1128 HydrophobicContact CB-CD1 4Å; V1119-F1128 WeakPolarHBondContact CB-O 3.48Å; V1119-F1128 HydrophobicContact CG1-CD1 4.07Å; V1119-F1128 PolarHBondContact N-O 2.94Å; K1120-F1128 HydrophobicContact CB-CB 4.3Å; K1120-F1128 PolarHBondContact N-O 3.16Å; K1120-F1128 PolarHBondContact O-N 3.48Å; F1128-E1137 HydrophobicContact CE1-CB 3.88Å; F1128-E1137 HydrophobicContact CE1-CG 4.47Å; F1128-E1137 WeakPolarHBondContact CE1-OE2 3.26Å; F1128-E1137 HydrophobicContact CE2-CB 4.33Å; F1128-E1137 HydrophobicContact CZ-CB 3.57Å; F1128-G1138 WeakPolarHBondContact CA-O 3.47Å; F1128-W1139 HydrophobicContact CB-CD2 4.1Å; F1128-W1139 HydrophobicContact CB-CE3 3.88Å; F1128-W1139 HydrophobicContact CB-CH2 3.84Å; F1128-W1139 HydrophobicContact CB-CZ2 4.06Å; F1128-W1139 HydrophobicContact CB-CZ3 3.74Å; F1128-W1139 AromaticContact CD2-CD1 3.9Å; F1128-W1139 AromaticContact CD2-CD2 3.81Å; F1128-W1139 HydrophobicContact CD2-CD2 3.81Å; F1128-W1139 AromaticContact CD2-CE2 3.61Å; F1128-W1139 HydrophobicContact CD2-CE3 4.45Å; F1128-W1139 AromaticContact CD2-CG 3.99Å; F1128-W1139 HydrophobicContact CD2-CG 3.99Å; F1128-W1139 HydrophobicContact CD2-CZ2 4.1Å; F1128-W1139 AromaticContact CD2-NE1 3.65Å; F1128-W1139 HydrophobicContact CG-CD2 4.45Å; F1128-W1139 HydrophobicContact CG-CZ2 4.34Å; F1128-W1139 VanDerWaalsContact N-CE3 3.32Å |
| 1129 | V | 87.9 | Confident | 79.8 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 147.7 | -172.8 | -49.5 | 0 | 0 | 0 | 0 | 111.8 | L1108 V1116 Q1117 L1118 W1127 E1137 G1138 M1140 L1145 | L1108-V1129 HydrophobicContact CD2-CG2 3.66Å; V1116-V1129 HydrophobicContact CB-CB 4.06Å; V1116-V1129 HydrophobicContact CB-CG2 3.98Å; V1116-V1129 HydrophobicContact CG1-CG2 4.02Å; V1116-V1129 HydrophobicContact CG2-CB 4.29Å; V1116-V1129 HydrophobicContact CG2-CG2 4.25Å; Q1117-V1129 VanDerWaalsContact O-CA 3.27Å; Q1117-V1129 WeakPolarHBondContact O-CA 3.45Å; L1118-V1129 HydrophobicContact CD2-CG1 3.6Å; W1127-V1129 HydrophobicContact CB-CG1 3.96Å; V1129-E1137 VanDerWaalsContact O-CA 3.31Å; V1129-E1137 WeakPolarHBondContact O-CA 3.46Å; V1129-G1138 PolarHBondContact N-O 3.25Å; V1129-G1138 PolarHBondContact O-N 3.33Å; V1129-M1140 HydrophobicContact CG2-CB 4.34Å; V1129-M1140 HydrophobicContact CG2-CE 3.85Å; V1129-L1145 HydrophobicContact CG1-CD1 4.08Å |
| 1130 | R | 87.6 | Confident | 79.7 | Confident | 103 Ų | 103 | 65.8 Ų | 65.8 | 39% | 0.389 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 122.1 | 174 | -176.6 | -176.3 | -64.7 | 163 | -1.2 | 109.6 | V1116 Q1117 V1119 L1132 K1136 E1137 | V1116-R1130 CarbonylContact C-O 3.55Å; V1116-R1130 VanDerWaalsContact CA-O 3.27Å; V1116-R1130 WeakPolarHBondContact CA-O 3.17Å; Q1117-R1130 PolarHBondContact N-O 2.99Å; Q1117-R1130 PolarHBondContact O-N 3.33Å; V1119-R1130 HydrophobicContact CG2-CB 4.03Å; R1130-L1132 PolarHBondContact O-N 2.91Å; R1130-K1136 WeakPolarHBondContact CA-O 3.38Å; R1130-E1137 HydrophobicContact CB-CG 4.06Å; R1130-E1137 HydrophobicContact CG-CG 3.99Å; R1130-E1137 IonicContact CZ-OE1 3.15Å; R1130-E1137 IonicContact NE-OE1 2.7Å; R1130-E1137 PolarHBondContact NE-OE1 3.31Å; R1130-E1137 IonicContact NH2-OE1 2.6Å; R1130-E1137 PolarHBondContact NH2-OE1 2.75Å |
| 1131 | N | 85.7 | Confident | 79.7 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 121 | 171.4 | 178.3 | -19.6 | 0 | 0 | 0 | 109 | L1108 V1110 D1114 V1116 N1133 T1134 S1135 K1136 | L1108-N1131 HydrophobicContact CD1-CB 3.86Å; V1110-N1131 HydrophobicContact CG1-CB 4.02Å; V1110-N1131 WeakPolarHBondContact CG1-ND2 3.33Å; D1114-N1131 PolarHBondContact OD2-ND2 3.49Å; V1116-N1131 HydrophobicContact CG1-CB 4.21Å; N1131-N1133 VanDerWaalsContact C-N 3.29Å; N1131-N1133 PolarHBondContact O-N 3.08Å; N1131-N1133 WeakPolarHBondContact OD1-CB 3.34Å; N1131-N1133 PolarHBondContact OD1-N 3.19Å; N1131-T1134 WeakPolarHBondContact CB-OG1 3.29Å; N1131-T1134 VanDerWaalsContact CG-OG1 3.24Å; N1131-T1134 PolarHBondContact ND2-OG1 3.44Å; N1131-T1134 PolarHBondContact OD1-N 2.82Å; N1131-S1135 WeakPolarHBondContact O-CA 3.32Å; N1131-S1135 PolarHBondContact O-N 3.06Å; N1131-K1136 PolarHBondContact N-O 3.49Å |
| 1132 | L | 82.6 | Confident | 79.4 | Confident | 54 Ų | 54 | 59.4 Ų | 59.4 | 28% | 0.283 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -17.5 | -175.2 | -62.6 | 179.5 | 0 | 0 | 0 | 113.2 | K1093 M1115 Q1117 R1130 | K1093-L1132 HydrophobicContact CD-CD1 3.69Å; K1093-L1132 HydrophobicContact CG-CD1 4Å; M1115-L1132 HydrophobicContact CB-CB 4.47Å; M1115-L1132 HydrophobicContact CB-CD1 4.35Å; M1115-L1132 WeakPolarHBondContact O-CB 3.42Å; M1115-L1132 PolarHBondContact O-N 2.91Å; Q1117-L1132 HydrophobicContact CB-CD1 4.45Å; Q1117-L1132 HydrophobicContact CB-CD2 3.97Å; Q1117-L1132 HydrophobicContact CB-CG 4.34Å; R1130-L1132 PolarHBondContact O-N 2.91Å |
| 1133 | N | 78.6 | Confident | 79.6 | Confident | 96 Ų | 96 | 63.4 Ų | 63.4 | 51% | 0.513 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -32.9 | 177.3 | -61.3 | -26 | 0 | 0 | 0 | 112 | D1114 N1131 | D1114-N1133 PolarHBondContact OD1-ND2 3.47Å; N1131-N1133 VanDerWaalsContact C-N 3.29Å; N1131-N1133 PolarHBondContact O-N 3.08Å; N1131-N1133 WeakPolarHBondContact OD1-CB 3.34Å; N1131-N1133 PolarHBondContact OD1-N 3.19Å |
| 1134 | T | 81 | Confident | 80.2 | Confident | 76 Ų | 76 | 57.8 Ų | 57.8 | 47% | 0.466 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | -11.9 | -174.5 | 63.4 | 0 | 0 | 0 | 0 | 114.5 | N1131 K1136 | N1131-T1134 WeakPolarHBondContact CB-OG1 3.29Å; N1131-T1134 VanDerWaalsContact CG-OG1 3.24Å; N1131-T1134 PolarHBondContact ND2-OG1 3.44Å; N1131-T1134 PolarHBondContact OD1-N 2.82Å; T1134-K1136 PolarHBondContact O-N 3.04Å; T1134-K1136 VanDerWaalsContact O-N 3.08Å |
| 1135 | S | 78.1 | Confident | 81 | Confident | 93 Ų | 93 | 51.3 Ų | 51.3 | 65% | 0.65 | 29% | 0.291 | S | S | * | . | trans | 57.6 | 8.8 | -172.1 | -58 | 0 | 0 | 0 | 0 | 115.9 | N1131 | N1131-S1135 WeakPolarHBondContact O-CA 3.32Å; N1131-S1135 PolarHBondContact O-N 3.06Å | ||
| 1136 | K | 79.9 | Confident | 81.7 | Confident | 76 Ų | 76 | 54.4 Ų | 54.4 | 33% | 0.33 | 29% | 0.294 | S | S | . | . | trans | -73.4 | 154.6 | 168.9 | -80.2 | -155.5 | 163.1 | -152.4 | 0 | 111.3 | D1106 L1108 R1130 N1131 T1134 | D1106-K1136 PolarHBondContact O-NZ 3.42Å; D1106-K1136 IonicContact OD1-NZ 2.68Å; D1106-K1136 PolarHBondContact OD1-NZ 2.9Å; L1108-K1136 HydrophobicContact CD1-CB 3.98Å; R1130-K1136 WeakPolarHBondContact CA-O 3.38Å; N1131-K1136 PolarHBondContact N-O 3.49Å; T1134-K1136 PolarHBondContact O-N 3.04Å; T1134-K1136 VanDerWaalsContact O-N 3.08Å | ||
| 1137 | E | 85.8 | Confident | 81 | Confident | 74 Ų | 74 | 54.6 Ų | 54.6 | 35% | 0.346 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 153.2 | -179.8 | -55.3 | -172.3 | 150.5 | 0 | 0 | 111 | F1128 V1129 R1130 | F1128-E1137 HydrophobicContact CE1-CB 3.88Å; F1128-E1137 HydrophobicContact CE1-CG 4.47Å; F1128-E1137 WeakPolarHBondContact CE1-OE2 3.26Å; F1128-E1137 HydrophobicContact CE2-CB 4.33Å; F1128-E1137 HydrophobicContact CZ-CB 3.57Å; V1129-E1137 VanDerWaalsContact O-CA 3.31Å; V1129-E1137 WeakPolarHBondContact O-CA 3.46Å; R1130-E1137 HydrophobicContact CB-CG 4.06Å; R1130-E1137 HydrophobicContact CG-CG 3.99Å; R1130-E1137 IonicContact CZ-OE1 3.15Å; R1130-E1137 IonicContact NE-OE1 2.7Å; R1130-E1137 PolarHBondContact NE-OE1 3.31Å; R1130-E1137 IonicContact NH2-OE1 2.6Å; R1130-E1137 PolarHBondContact NH2-OE1 2.75Å |
| 1138 | G | 84.3 | Confident | 79.3 | Confident | 5 Ų | 5 | 58.1 Ų | 58.1 | 5% | 0.052 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.3 | 176.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | F1128 V1129 | F1128-G1138 WeakPolarHBondContact CA-O 3.47Å; V1129-G1138 PolarHBondContact N-O 3.25Å; V1129-G1138 PolarHBondContact O-N 3.33Å |
| 1139 | W | 84.7 | Confident | 77 | Confident | 100 Ų | 100 | 63.8 Ų | 63.8 | 38% | 0.379 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 140.7 | 179.9 | -67.1 | 99.3 | 0 | 0 | 0 | 112.2 | Y1100 Q1126 W1127 F1128 | Y1100-W1139 VanDerWaalsContact CE1-O 3.23Å; Y1100-W1139 WeakPolarHBondContact CE1-O 3.33Å; Y1100-W1139 PolarHBondContact OH-O 3.14Å; Y1100-W1139 VanDerWaalsContact OH-O 3.08Å; Q1126-W1139 HydrophobicContact CB-CE3 4.06Å; W1127-W1139 VanDerWaalsContact C-CE3 3.47Å; W1127-W1139 WeakPolarHBondContact O-CA 3.41Å; F1128-W1139 HydrophobicContact CB-CD2 4.1Å; F1128-W1139 HydrophobicContact CB-CE3 3.88Å; F1128-W1139 HydrophobicContact CB-CH2 3.84Å; F1128-W1139 HydrophobicContact CB-CZ2 4.06Å; F1128-W1139 HydrophobicContact CB-CZ3 3.74Å; F1128-W1139 AromaticContact CD2-CD1 3.9Å; F1128-W1139 AromaticContact CD2-CD2 3.81Å; F1128-W1139 HydrophobicContact CD2-CD2 3.81Å; F1128-W1139 AromaticContact CD2-CE2 3.61Å; F1128-W1139 HydrophobicContact CD2-CE3 4.45Å; F1128-W1139 AromaticContact CD2-CG 3.99Å; F1128-W1139 HydrophobicContact CD2-CG 3.99Å; F1128-W1139 HydrophobicContact CD2-CZ2 4.1Å; F1128-W1139 AromaticContact CD2-NE1 3.65Å; F1128-W1139 HydrophobicContact CG-CD2 4.45Å; F1128-W1139 HydrophobicContact CG-CZ2 4.34Å; F1128-W1139 VanDerWaalsContact N-CE3 3.32Å |
| 1140 | M | 80.8 | Confident | 74.1 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 139.4 | 179.2 | -165.7 | -176.1 | -51.4 | 0 | 0 | 111.3 | V1096 Y1100 L1108 V1110 Q1126 W1127 V1129 N1144 L1145 | V1096-M1140 HydrophobicContact CG1-SD 4.22Å; V1096-M1140 HydrophobicContact CG2-CE 3.97Å; V1096-M1140 HydrophobicContact CG2-SD 4.11Å; Y1100-M1140 HydrophobicContact CD1-CE 4.49Å; Y1100-M1140 HydrophobicContact CD1-CG 4.36Å; Y1100-M1140 HydrophobicContact CE1-CG 4.4Å; Y1100-M1140 HydrophobicContact CG-CG 4.46Å; L1108-M1140 HydrophobicContact CD2-CE 3.96Å; V1110-M1140 HydrophobicContact CB-CE 4.27Å; V1110-M1140 HydrophobicContact CG1-CE 4.16Å; V1110-M1140 HydrophobicContact CG2-CE 3.44Å; V1110-M1140 VanDerWaalsContact CG2-CE 3.44Å; Q1126-M1140 WeakPolarHBondContact CA-O 3.25Å; W1127-M1140 PolarHBondContact N-O 3.1Å; W1127-M1140 PolarHBondContact O-N 2.91Å; V1129-M1140 HydrophobicContact CG2-CB 4.34Å; V1129-M1140 HydrophobicContact CG2-CE 3.85Å; M1140-N1144 HydrophobicContact CG-CB 4.16Å; M1140-N1144 HydrophobicContact SD-CB 4.04Å; M1140-L1145 HydrophobicContact SD-CD2 3.56Å; M1140-L1145 VanDerWaalsContact SD-CD2 3.56Å; M1140-L1145 HydrophobicContact SD-CG 4.15Å |
| 1141 | A | 81.2 | Confident | 71.2 | Confident | 37 Ų | 37 | 77.2 Ų | 77.2 | 31% | 0.306 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 138.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1143 N1144 | A1141-A1143 PolarHBondContact O-N 2.89Å; A1141-A1143 VanDerWaalsContact O-N 3.09Å; A1141-N1144 PolarHBondContact O-N 3.21Å |
| 1142 | A | 76.9 | Confident | 68.3 | Low | 28 Ų | 28 | 82.7 Ų | 82.7 | 23% | 0.231 | 45% | 0.452 | C | S | . | . | G | 310 helix | trans | -54.8 | -31.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1089 G1125 N1144 L1145 | L1089-A1142 HydrophobicContact CD1-CB 3.9Å; L1089-A1142 HydrophobicContact CG-CB 4.4Å; G1125-A1142 PolarHBondContact O-N 2.92Å; A1142-N1144 PolarHBondContact O-N 2.73Å; A1142-L1145 PolarHBondContact O-N 3.49Å |
| 1143 | A | 77.7 | Confident | 65.9 | Low | 94 Ų | 94 | 90.4 Ų | 90.4 | 78% | 0.777 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -62.1 | -21.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | A1141 L1145 | A1141-A1143 PolarHBondContact O-N 2.89Å; A1141-A1143 VanDerWaalsContact O-N 3.09Å; A1143-L1145 VanDerWaalsContact C-N 3.31Å |
| 1144 | N | 79.1 | Confident | 63.3 | Low | 42 Ų | 42 | 91 Ų | 91 | 23% | 0.225 | 50% | 0.495 | C | S | . | . | G | 310 helix | trans | -87.6 | 3.8 | -179.8 | -66.6 | -6 | 0 | 0 | 0 | 113.1 | M1097 M1140 A1141 A1142 | M1097-N1144 WeakPolarHBondContact CB-O 3.45Å; M1097-N1144 PolarHBondContact N-O 2.88Å; M1140-N1144 HydrophobicContact CG-CB 4.16Å; M1140-N1144 HydrophobicContact SD-CB 4.04Å; A1141-N1144 PolarHBondContact O-N 3.21Å; A1142-N1144 PolarHBondContact O-N 2.73Å |
| 1145 | L | 79.6 | Confident | 60.6 | Low | 10 Ų | 10 | 93.6 Ų | 93.6 | 5% | 0.052 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 128 | -170.7 | -61.4 | 178.7 | 0 | 0 | 0 | 111.9 | L1089 Y1094 V1096 V1116 L1118 V1129 M1140 A1142 A1143 | L1089-L1145 HydrophobicContact CD1-CB 4.37Å; L1089-L1145 HydrophobicContact CD1-CD1 4.31Å; Y1094-L1145 HydrophobicContact CD1-CB 4.11Å; Y1094-L1145 HydrophobicContact CG-CB 4.45Å; V1096-L1145 HydrophobicContact CG2-CD2 4.09Å; V1116-L1145 HydrophobicContact CG2-CD2 3.53Å; L1118-L1145 HydrophobicContact CD2-CD1 3.68Å; V1129-L1145 HydrophobicContact CG1-CD1 4.08Å; M1140-L1145 HydrophobicContact SD-CD2 3.56Å; M1140-L1145 VanDerWaalsContact SD-CD2 3.56Å; M1140-L1145 HydrophobicContact SD-CG 4.15Å; A1142-L1145 PolarHBondContact O-N 3.49Å; A1143-L1145 VanDerWaalsContact C-N 3.31Å |
| 1146 | M | 77.2 | Confident | 58.1 | Low | 108 Ų | 108 | 98.8 Ų | 98.8 | 53% | 0.532 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 135.1 | 175.5 | -84.7 | -71.1 | -70.2 | 0 | 0 | 112.2 | Y1094 T1095 M1097 | Y1094-M1146 WeakPolarHBondContact CA-O 3.5Å; T1095-M1146 PolarHBondContact N-O 3.27Å; T1095-M1146 PolarHBondContact O-N 3.44Å; M1097-M1146 HydrophobicContact CE-CG 4.23Å; M1097-M1146 HydrophobicContact CG-CB 3.9Å; M1097-M1146 HydrophobicContact CG-CG 3.57Å; M1097-M1146 HydrophobicContact SD-CB 3.69Å; M1097-M1146 HydrophobicContact SD-CG 3.55Å; M1097-M1146 VanDerWaalsContact SD-CG 3.55Å |
| 1147 | T | 63.2 | Low | 55.6 | Low | 78 Ų | 78 | 100.6 Ų | 100.6 | 48% | 0.479 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -69.4 | 130.3 | 178.2 | -44.5 | 0 | 0 | 0 | 0 | 110.8 | Y1094 M1149 | Y1094-T1147 HydrophobicContact CE1-CG2 4.34Å; Y1094-T1147 WeakPolarHBondContact CE1-OG1 3.48Å; T1147-M1149 PolarHBondContact O-N 3.11Å; T1147-M1149 VanDerWaalsContact O-N 3.1Å |
| 1148 | L | 48 | Very low | 52.7 | Low | 95 Ų | 95 | 105.3 Ų | 105.3 | 50% | 0.497 | 58% | 0.578 | S | S | . | * | trans | -71.6 | 100.1 | 166.6 | -88 | 159.7 | 0 | 0 | 0 | 109.7 | E1150 | L1148-E1150 PolarHBondContact O-N 3.18Š| ||
| 1149 | M | 37.3 | Very low | 49.9 | Very low | 170 Ų | 170 | 109.6 Ų | 109.6 | 84% | 0.837 | 61% | 0.607 | S | S | * | * | trans | -67 | 120.1 | 164.8 | -61.6 | -162.6 | -53 | 0 | 0 | 109.1 | T1147 K1151 | T1147-M1149 PolarHBondContact O-N 3.11Å; T1147-M1149 VanDerWaalsContact O-N 3.1Å; M1149-K1151 PolarHBondContact O-N 3.2Å | ||
| 1150 | E | 27.1 | Very low | 47.1 | Very low | 183 Ų | 183 | 110.6 Ų | 110.6 | 86% | 0.855 | 63% | 0.629 | S | S | * | * | trans | -62.1 | 132.5 | 172.7 | -67.8 | -164.9 | 125.8 | 0 | 0 | 110.2 | L1148 S1152 | L1148-E1150 PolarHBondContact O-N 3.18Å; E1150-S1152 PolarHBondContact O-N 2.6Å | ||
| 1151 | K | 26.6 | Very low | 44.5 | Very low | 203 Ų | 203 | 114.8 Ų | 114.8 | 88% | 0.883 | 66% | 0.659 | S | S | * | * | trans | -74.9 | 88.7 | -170.4 | -70.8 | -177.9 | 178 | 177 | 0 | 111.8 | M1149 K1153 | M1149-K1151 PolarHBondContact O-N 3.2Å; K1151-K1153 PolarHBondContact O-N 3.17Å | ||
| 1152 | S | 24.7 | Very low | 41.9 | Very low | 115 Ų | 115 | 121.9 Ų | 121.9 | 80% | 0.804 | 69% | 0.685 | S | S | * | * | trans | -52.9 | 121.9 | 164.5 | -44.5 | 0 | 0 | 0 | 0 | 110 | E1150 S1154 | E1150-S1152 PolarHBondContact O-N 2.6Å; S1152-S1154 PolarHBondContact O-N 3.26Å | ||
| 1153 | K | 32.2 | Very low | 39.4 | Very low | 216 Ų | 216 | 124 Ų | 124 | 94% | 0.939 | 71% | 0.71 | S | S | * | * | trans | -77.6 | 85.7 | 177.2 | -75.9 | -175.2 | 177.6 | 177.2 | 0 | 110.9 | K1151 | K1151-K1153 PolarHBondContact O-N 3.17Š| ||
| 1154 | S | 23.9 | Very low | 37 | Very low | 107 Ų | 107 | 125.9 Ų | 125.9 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | trans | -147.7 | 120 | 164.8 | -172.9 | 0 | 0 | 0 | 0 | 111.7 | S1152 | S1152-S1154 PolarHBondContact O-N 3.26Š| ||
| 1155 | C | 24.5 | Very low | 34.4 | Very low | 131 Ų | 131 | 127.2 Ų | 127.2 | 89% | 0.885 | 74% | 0.741 | S | S | * | * | trans | -165.9 | 121.1 | 155.4 | -96.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1156 | Q | 26.2 | Very low | 32 | Very low | 203 Ų | 203 | 134.3 Ų | 134.3 | 95% | 0.949 | 78% | 0.779 | S | S | * | * | trans | -94.3 | 161 | 158.9 | -76.9 | -174.5 | -23.4 | 0 | 0 | 109.5 | ||||
| 1157 | S | 26.4 | Very low | 29.6 | Very low | 114 Ų | 114 | 137.4 Ų | 137.4 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -109.6 | 145.3 | -161.4 | 48 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1158 | L | 26.3 | Very low | 27.8 | Very low | 172 Ų | 172 | 138.7 Ų | 138.7 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | trans | -154.1 | 146.2 | 158.4 | -71.3 | -176.8 | 0 | 0 | 0 | 107.4 | ||||
| 1159 | S | 24.1 | Very low | 26.8 | Very low | 96 Ų | 96 | 141.4 Ų | 141.4 | 67% | 0.671 | 83% | 0.83 | S | S | * | * | cis | -169.2 | 157.4 | -7.9 | 50.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1160 | S | 26 | Very low | 26.3 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 85% | 0.846 | 83% | 0.825 | S | S | * | * | trans | 69.3 | 153.5 | 169.9 | 77.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1161 | S | 26.3 | Very low | 26.4 | Very low | 88 Ų | 88 | 134.6 Ų | 134.6 | 62% | 0.615 | 82% | 0.819 | S | S | * | * | cis | -145.7 | 160.5 | -2.3 | -168.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1162 | E | 26.7 | Very low | 26.5 | Very low | 185 Ų | 185 | 129.7 Ų | 129.7 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | trans | 58.4 | 150.9 | 169.3 | -71.3 | 137.6 | -107 | 0 | 0 | 118.2 | ||||
| 1163 | G | 25 | Very low | 26.6 | Very low | 72 Ų | 72 | 129.6 Ų | 129.6 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | cis | -162.1 | -180 | -0.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1164 | S | 27.3 | Very low | 26.4 | Very low | 134 Ų | 134 | 124.2 Ų | 124.2 | 94% | 0.937 | 80% | 0.798 | S | S | * | * | trans | -66.6 | 144.6 | -172.3 | -177.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1165 | G | 24.8 | Very low | 26.6 | Very low | 71 Ų | 71 | 128.3 Ų | 128.3 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | trans | -177.6 | 95.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1166 | N | 28.6 | Very low | 27.1 | Very low | 158 Ų | 158 | 130.8 Ų | 130.8 | 85% | 0.845 | 84% | 0.835 | S | S | * | * | trans | -78.6 | 142.7 | 162.8 | -70.4 | -35.5 | 0 | 0 | 0 | 110 | ||||
| 1167 | L | 26.5 | Very low | 27.2 | Very low | 174 Ų | 174 | 127.2 Ų | 127.2 | 91% | 0.911 | 83% | 0.829 | S | S | * | * | -177.8 | 155.6 | 125.2 | -101.3 | 163.7 | 0 | 0 | 0 | 113.1 | |||||
| 1168 | S | 26.3 | Very low | 27.2 | Very low | 104 Ų | 104 | 127.8 Ų | 127.8 | 73% | 0.727 | 83% | 0.831 | S | S | * | * | trans | -95.3 | 147 | 175 | -38.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 1169 | T | 26.1 | Very low | 27.3 | Very low | 152 Ų | 152 | 125.4 Ų | 125.4 | 93% | 0.933 | 83% | 0.827 | S | S | * | * | trans | -156.5 | 153.9 | 147.1 | 16.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1170 | S | 27 | Very low | 27.5 | Very low | 105 Ų | 105 | 127.1 Ų | 127.1 | 73% | 0.734 | 84% | 0.836 | S | S | * | * | trans | -125.4 | 162.4 | 176.6 | 55.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1171 | S | 28.9 | Very low | 27.5 | Very low | 105 Ų | 105 | 127.5 Ų | 127.5 | 73% | 0.734 | 84% | 0.836 | S | S | * | * | trans | 86.9 | 141.6 | 153.8 | 82.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 1172 | S | 28.3 | Very low | 27.6 | Very low | 100 Ų | 100 | 130.1 Ų | 130.1 | 70% | 0.699 | 85% | 0.85 | S | S | * | * | trans | 88.8 | 106 | 138.6 | -60.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1173 | C | 27.6 | Very low | 27.7 | Very low | 113 Ų | 113 | 126.2 Ų | 126.2 | 76% | 0.764 | 85% | 0.849 | S | S | * | * | 86.8 | 119.4 | 116.2 | -67.9 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 1174 | S | 27.9 | Very low | 27.9 | Very low | 104 Ų | 104 | 130.4 Ų | 130.4 | 73% | 0.727 | 86% | 0.858 | S | S | * | * | 101.6 | 143.3 | 127.2 | -65.7 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 1175 | E | 28.9 | Very low | 28 | Very low | 193 Ų | 193 | 130.1 Ų | 130.1 | 90% | 0.902 | 85% | 0.851 | S | S | * | * | trans | 65.7 | 84.8 | 155.3 | -71.3 | 169.1 | -153.3 | 0 | 0 | 119.4 | ||||
| 1176 | A | 34.7 | Very low | 28.3 | Very low | 182 Ų | 182 | 135.5 Ų | 135.5 | 100% | 1.504 | 86% | 0.862 | S | S | * | * | -155.8 | 0 | 108.2 | 0 | 0 | 0 | 0 | 0 | 110.8 |
Retrieved 1,176 of 1,176 residues in 964.7 ms
(Link to these results)