| 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 | 40.1 | Very low | 54 | Low | 188 Ų | 188 | 113.3 Ų | 113.3 | 93% | 0.926 | 58% | 0.575 | S | S | * | * | 0 | 120.5 | 0 | -60.8 | -167 | -27 | 0 | 0 | 107.5 | E5 | M1-E5 WeakPolarHBondContact CA-OE2 3.47Å; M1-E5 VanDerWaalsContact CB-OE2 3.3Å; M1-E5 WeakPolarHBondContact CB-OE2 3.36Å | |||
| 2 | S | 34.5 | Very low | 56.5 | Low | 66 Ų | 66 | 108 Ų | 108 | 46% | 0.462 | 56% | 0.561 | S | S | . | * | trans | -76.7 | 155.7 | -178.7 | 52.6 | 0 | 0 | 0 | 0 | 110.9 | S4 E5 | S2-S4 PolarHBondContact O-N 3.47Å; S2-S4 VanDerWaalsContact O-N 3.13Å; S2-E5 PolarHBondContact N-OE2 3.16Å; S2-E5 WeakPolarHBondContact O-CB 3.44Å; S2-E5 PolarHBondContact O-N 3.16Å | ||
| 3 | E | 36.1 | Very low | 58.8 | Low | 169 Ų | 169 | 100.4 Ų | 100.4 | 79% | 0.79 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -60.3 | -21.6 | -177.5 | -80 | 173.8 | 142.8 | 0 | 0 | 114 | E5 | E3-E5 VanDerWaalsContact C-N 3.28Å; E3-E5 PolarHBondContact O-N 3.42Å |
| 4 | S | 45.6 | Very low | 60.8 | Low | 88 Ų | 88 | 96.7 Ų | 96.7 | 62% | 0.615 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -74 | -16.9 | 173 | 89.6 | 0 | 0 | 0 | 0 | 113.4 | S2 | S2-S4 PolarHBondContact O-N 3.47Å; S2-S4 VanDerWaalsContact O-N 3.13Å |
| 5 | E | 44.6 | Very low | 62.6 | Low | 97 Ų | 97 | 97.1 Ų | 97.1 | 45% | 0.453 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -83 | -17.2 | 178.8 | -65.8 | 179.2 | 132.6 | 0 | 0 | 112.6 | M1 S2 E3 Q7 | M1-E5 WeakPolarHBondContact CA-OE2 3.47Å; M1-E5 VanDerWaalsContact CB-OE2 3.3Å; M1-E5 WeakPolarHBondContact CB-OE2 3.36Å; S2-E5 PolarHBondContact N-OE2 3.16Å; S2-E5 WeakPolarHBondContact O-CB 3.44Å; S2-E5 PolarHBondContact O-N 3.16Å; E3-E5 VanDerWaalsContact C-N 3.28Å; E3-E5 PolarHBondContact O-N 3.42Å; E5-Q7 VanDerWaalsContact C-N 3.27Å; E5-Q7 PolarHBondContact O-N 3.25Å |
| 6 | R | 47.3 | Very low | 64.2 | Low | 190 Ų | 190 | 95.1 Ų | 95.1 | 72% | 0.717 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -80.1 | -3.4 | 175.9 | -67.6 | -171.2 | -158.1 | -171.8 | 7.5 | 113.9 | ||
| 7 | Q | 49.8 | Very low | 65.6 | Low | 166 Ų | 166 | 89.5 Ų | 89.5 | 78% | 0.776 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -108.4 | 5.6 | -171 | -87.2 | 175.1 | -14.9 | 0 | 0 | 115.3 | E5 D9 | E5-Q7 VanDerWaalsContact C-N 3.27Å; E5-Q7 PolarHBondContact O-N 3.25Å; Q7-D9 PolarHBondContact O-N 2.8Å |
| 8 | K | 60.3 | Low | 66.9 | Low | 100 Ų | 100 | 86.4 Ų | 86.4 | 44% | 0.435 | 44% | 0.442 | S | S | . | . | trans | -86.9 | 113.2 | 171.8 | -78.5 | -169.1 | 172.2 | -171.4 | 0 | 110.1 | L13 E16 | K8-L13 HydrophobicContact CB-CD1 4.18Å; K8-L13 HydrophobicContact CB-CD2 4.14Å; K8-L13 HydrophobicContact CB-CG 3.95Å; K8-L13 HydrophobicContact CD-CD2 3.76Å; K8-L13 HydrophobicContact CD-CG 4.42Å; K8-E16 VanDerWaalsContact NZ-CD 3.34Å; K8-E16 IonicContact NZ-OE1 2.79Å; K8-E16 PolarHBondContact NZ-OE1 3.01Å; K8-E16 VanDerWaalsContact NZ-OE1 3.1Å; K8-E16 IonicContact NZ-OE2 3.77Å; K8-E16 PolarHBondContact NZ-OE2 3.16Å | ||
| 9 | D | 76.8 | Confident | 68.2 | Low | 100 Ų | 100 | 86.2 Ų | 86.2 | 54% | 0.535 | 45% | 0.445 | S | S | . | . | trans | -51.8 | 133.4 | 171.5 | -174 | -26.4 | 0 | 0 | 0 | 110.4 | Q7 A11 A12 L13 | Q7-D9 PolarHBondContact O-N 2.8Å; D9-A11 PolarHBondContact O-N 2.95Å; D9-A11 VanDerWaalsContact O-N 3.09Å; D9-A11 PolarHBondContact OD1-N 2.78Å; D9-A12 HydrophobicContact CB-CB 4.28Å; D9-A12 WeakPolarHBondContact O-CB 3.38Å; D9-A12 PolarHBondContact O-N 3.48Å; D9-L13 PolarHBondContact O-N 3.4Å; D9-L13 VanDerWaalsContact O-N 3.11Å | ||
| 10 | P | 78.3 | Confident | 69.2 | Low | 35 Ų | 35 | 84.1 Ų | 84.1 | 23% | 0.227 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -47.8 | -34.7 | 173.6 | -24.6 | 27.1 | 0 | 0 | 0 | 114.2 | L13 K14 L39 T40 | P10-L13 PolarHBondContact O-N 2.99Å; P10-K14 WeakPolarHBondContact O-CB 3.39Å; P10-K14 PolarHBondContact O-N 3.35Å; P10-L39 HydrophobicContact CG-CB 3.78Å; P10-L39 WeakPolarHBondContact CG-O 3.24Å; P10-T40 WeakPolarHBondContact CB-OG1 3.48Å |
| 11 | A | 81.2 | Confident | 70.1 | Confident | 47 Ų | 47 | 83 Ų | 83 | 39% | 0.388 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -67 | -39.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | D9 K14 E15 | D9-A11 PolarHBondContact O-N 2.95Å; D9-A11 VanDerWaalsContact O-N 3.09Å; D9-A11 PolarHBondContact OD1-N 2.78Å; A11-K14 WeakPolarHBondContact O-CB 3.39Å; A11-K14 PolarHBondContact O-N 3.48Å; A11-E15 PolarHBondContact O-N 3.47Å; A11-E15 VanDerWaalsContact O-N 3.1Å |
| 12 | A | 84 | Confident | 72.4 | Confident | 50 Ų | 50 | 82.7 Ų | 82.7 | 41% | 0.413 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -67.6 | -41 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D9 K14 E15 E16 | D9-A12 HydrophobicContact CB-CB 4.28Å; D9-A12 WeakPolarHBondContact O-CB 3.38Å; D9-A12 PolarHBondContact O-N 3.48Å; A12-K14 VanDerWaalsContact C-N 3.33Å; A12-K14 PolarHBondContact O-N 3.23Å; A12-E15 PolarHBondContact O-N 3.38Å; A12-E16 WeakPolarHBondContact O-CB 3.39Å; A12-E16 PolarHBondContact O-N 2.93Å |
| 13 | L | 85.5 | Confident | 74.7 | Confident | 9 Ų | 9 | 83.4 Ų | 83.4 | 5% | 0.047 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -65.5 | -34.8 | 175.3 | -72.5 | 168.9 | 0 | 0 | 0 | 112.6 | K8 D9 P10 G17 K35 A36 L39 | K8-L13 HydrophobicContact CB-CD1 4.18Å; K8-L13 HydrophobicContact CB-CD2 4.14Å; K8-L13 HydrophobicContact CB-CG 3.95Å; K8-L13 HydrophobicContact CD-CD2 3.76Å; K8-L13 HydrophobicContact CD-CG 4.42Å; D9-L13 PolarHBondContact O-N 3.4Å; D9-L13 VanDerWaalsContact O-N 3.11Å; P10-L13 PolarHBondContact O-N 2.99Å; L13-G17 PolarHBondContact O-N 2.74Å; L13-K35 HydrophobicContact CD1-CB 4.22Å; L13-A36 HydrophobicContact CB-CB 3.95Å; L13-L39 HydrophobicContact CD1-CD1 3.66Å |
| 14 | K | 86.7 | Confident | 76.9 | Confident | 49 Ų | 49 | 77.6 Ų | 77.6 | 21% | 0.213 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -63.1 | -46.8 | 172.9 | -179.1 | -172.1 | 70.1 | -173.7 | 0 | 111.2 | P10 A11 A12 G17 N18 L49 | P10-K14 WeakPolarHBondContact O-CB 3.39Å; P10-K14 PolarHBondContact O-N 3.35Å; A11-K14 WeakPolarHBondContact O-CB 3.39Å; A11-K14 PolarHBondContact O-N 3.48Å; A12-K14 VanDerWaalsContact C-N 3.33Å; A12-K14 PolarHBondContact O-N 3.23Å; K14-G17 PolarHBondContact O-N 3.25Å; K14-N18 PolarHBondContact O-N 3.32Å; K14-N18 PolarHBondContact O-ND2 3.47Å; K14-N18 PolarHBondContact O-OD1 3.44Å; K14-L49 HydrophobicContact CB-CD2 4Å; K14-L49 HydrophobicContact CD-CD2 4.42Å; K14-L49 HydrophobicContact CG-CD2 3.9Å |
| 15 | E | 88.3 | Confident | 78.8 | Confident | 102 Ų | 102 | 76.7 Ų | 76.7 | 48% | 0.477 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.8 | -39.1 | 178.6 | -70.3 | -50.5 | 139.4 | 0 | 0 | 112.3 | A11 A12 G17 N18 T19 | A11-E15 PolarHBondContact O-N 3.47Å; A11-E15 VanDerWaalsContact O-N 3.1Å; A12-E15 PolarHBondContact O-N 3.38Å; E15-G17 VanDerWaalsContact C-N 3.32Å; E15-G17 PolarHBondContact O-N 2.98Å; E15-N18 WeakPolarHBondContact O-CB 3.42Å; E15-N18 PolarHBondContact O-N 3.14Å; E15-N18 VanDerWaalsContact O-N 3.1Å; E15-N18 PolarHBondContact OE1-ND2 3.42Å; E15-N18 PolarHBondContact OE2-ND2 3.08Å; E15-T19 WeakPolarHBondContact O-CG2 3.41Å; E15-T19 PolarHBondContact O-N 3.43Å; E15-T19 PolarHBondContact O-OG1 2.86Å |
| 16 | E | 87.9 | Confident | 80.7 | Confident | 66 Ų | 66 | 73.8 Ų | 73.8 | 31% | 0.308 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61 | -40.6 | 171.6 | -171.8 | 173.7 | -171.4 | 0 | 0 | 111.7 | K8 A12 N18 T19 L20 | K8-E16 VanDerWaalsContact NZ-CD 3.34Å; K8-E16 IonicContact NZ-OE1 2.79Å; K8-E16 PolarHBondContact NZ-OE1 3.01Å; K8-E16 VanDerWaalsContact NZ-OE1 3.1Å; K8-E16 IonicContact NZ-OE2 3.77Å; K8-E16 PolarHBondContact NZ-OE2 3.16Å; A12-E16 WeakPolarHBondContact O-CB 3.39Å; A12-E16 PolarHBondContact O-N 2.93Å; E16-N18 VanDerWaalsContact C-N 3.34Å; E16-N18 PolarHBondContact O-N 3.15Å; E16-T19 WeakPolarHBondContact CA-OG1 3.48Å; E16-T19 PolarHBondContact O-N 3Å; E16-T19 PolarHBondContact O-OG1 3.38Å; E16-L20 HydrophobicContact CG-CD1 4.36Å; E16-L20 WeakPolarHBondContact O-CB 3.42Å; E16-L20 VanDerWaalsContact O-CG 3.26Å; E16-L20 WeakPolarHBondContact O-CG 3.36Å; E16-L20 PolarHBondContact O-N 3.16Å |
| 17 | G | 88.3 | Confident | 82.4 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.2 | -39.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L13 K14 E15 F21 A29 Y33 | L13-G17 PolarHBondContact O-N 2.74Å; K14-G17 PolarHBondContact O-N 3.25Å; E15-G17 VanDerWaalsContact C-N 3.32Å; E15-G17 PolarHBondContact O-N 2.98Å; G17-F21 VanDerWaalsContact O-CB 3.31Å; G17-F21 WeakPolarHBondContact O-CB 3.27Å; G17-F21 PolarHBondContact O-N 3.3Å; G17-A29 WeakPolarHBondContact O-CB 3.47Å; G17-Y33 PolarHBondContact O-OH 3.28Å |
| 18 | N | 89.8 | Confident | 83.9 | Confident | 33 Ų | 33 | 64.4 Ų | 64.4 | 18% | 0.176 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67.5 | -39 | 177.8 | -65.3 | -20.5 | 0 | 0 | 0 | 112.4 | K14 E15 E16 K22 Y33 N52 | K14-N18 PolarHBondContact O-N 3.32Å; K14-N18 PolarHBondContact O-ND2 3.47Å; K14-N18 PolarHBondContact O-OD1 3.44Å; E15-N18 WeakPolarHBondContact O-CB 3.42Å; E15-N18 PolarHBondContact O-N 3.14Å; E15-N18 VanDerWaalsContact O-N 3.1Å; E15-N18 PolarHBondContact OE1-ND2 3.42Å; E15-N18 PolarHBondContact OE2-ND2 3.08Å; E16-N18 VanDerWaalsContact C-N 3.34Å; E16-N18 PolarHBondContact O-N 3.15Å; N18-K22 WeakPolarHBondContact O-CG 3.38Å; N18-K22 PolarHBondContact O-N 3.16Å; N18-K22 VanDerWaalsContact O-N 3.08Å; N18-Y33 WeakPolarHBondContact CA-OH 3.41Å; N18-Y33 PolarHBondContact N-OH 2.91Å; N18-Y33 PolarHBondContact OD1-OH 3.32Å; N18-N52 PolarHBondContact OD1-ND2 3.46Å |
| 19 | T | 90.8 | Very high | 85.1 | Confident | 82 Ų | 82 | 59.7 Ų | 59.7 | 50% | 0.503 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67.5 | -44.1 | 176.9 | 55.6 | 0 | 0 | 0 | 0 | 110.7 | E15 E16 F21 K22 A23 | E15-T19 WeakPolarHBondContact O-CG2 3.41Å; E15-T19 PolarHBondContact O-N 3.43Å; E15-T19 PolarHBondContact O-OG1 2.86Å; E16-T19 WeakPolarHBondContact CA-OG1 3.48Å; E16-T19 PolarHBondContact O-N 3Å; E16-T19 PolarHBondContact O-OG1 3.38Å; T19-F21 PolarHBondContact O-N 3.08Å; T19-K22 PolarHBondContact O-N 3.39Å; T19-A23 WeakPolarHBondContact O-CB 3.5Å; T19-A23 PolarHBondContact O-N 2.9Å |
| 20 | L | 87.4 | Confident | 85.7 | Confident | 45 Ų | 45 | 56.4 Ų | 56.4 | 24% | 0.236 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.2 | -41.4 | 175 | -69.9 | 170.4 | 0 | 0 | 0 | 112.1 | E16 K22 A23 G24 D25 A29 | E16-L20 HydrophobicContact CG-CD1 4.36Å; E16-L20 WeakPolarHBondContact O-CB 3.42Å; E16-L20 VanDerWaalsContact O-CG 3.26Å; E16-L20 WeakPolarHBondContact O-CG 3.36Å; E16-L20 PolarHBondContact O-N 3.16Å; L20-K22 VanDerWaalsContact C-N 3.32Å; L20-K22 PolarHBondContact O-N 3.41Å; L20-A23 CarbonylContact O-C 3.45Å; L20-A23 PolarHBondContact O-N 3.2Å; L20-A23 VanDerWaalsContact O-N 3.12Å; L20-G24 PolarHBondContact O-N 3.08Å; L20-G24 VanDerWaalsContact O-N 3.08Å; L20-D25 HydrophobicContact CD2-CB 4.34Å; L20-D25 PolarHBondContact O-N 3.43Å; L20-A29 HydrophobicContact CB-CB 4.06Å |
| 21 | F | 88.6 | Confident | 86.1 | Confident | 61 Ų | 61 | 57.4 Ų | 57.4 | 27% | 0.268 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.1 | -40.7 | 175.6 | -174.1 | -91.4 | 0 | 0 | 0 | 112.1 | G17 T19 G24 M26 A29 A55 C56 | G17-F21 VanDerWaalsContact O-CB 3.31Å; G17-F21 WeakPolarHBondContact O-CB 3.27Å; G17-F21 PolarHBondContact O-N 3.3Å; T19-F21 PolarHBondContact O-N 3.08Å; F21-G24 PolarHBondContact O-N 3.31Å; F21-M26 HydrophobicContact CD2-SD 3.74Å; F21-M26 HydrophobicContact CE2-CE 4.46Å; F21-M26 HydrophobicContact CE2-SD 3.7Å; F21-A29 HydrophobicContact CB-CB 4.09Å; F21-A55 HydrophobicContact CE2-CB 4.02Å; F21-A55 HydrophobicContact CZ-CB 3.98Å; F21-C56 VanDerWaalsContact CD2-SG 3.55Å |
| 22 | K | 87.8 | Confident | 86.4 | Confident | 181 Ų | 181 | 55.8 Ų | 55.8 | 79% | 0.787 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -69.3 | -32.9 | 174.5 | -72.7 | 174.9 | -177.6 | 176.5 | 0 | 112.5 | N18 T19 L20 G24 | N18-K22 WeakPolarHBondContact O-CG 3.38Å; N18-K22 PolarHBondContact O-N 3.16Å; N18-K22 VanDerWaalsContact O-N 3.08Å; T19-K22 PolarHBondContact O-N 3.39Å; L20-K22 VanDerWaalsContact C-N 3.32Å; L20-K22 PolarHBondContact O-N 3.41Å; K22-G24 PolarHBondContact O-N 2.94Å |
| 23 | A | 83.6 | Confident | 86.6 | Confident | 82 Ų | 82 | 53.6 Ų | 53.6 | 68% | 0.678 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -74.9 | -8.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | T19 L20 | T19-A23 WeakPolarHBondContact O-CB 3.5Å; T19-A23 PolarHBondContact O-N 2.9Å; L20-A23 CarbonylContact O-C 3.45Å; L20-A23 PolarHBondContact O-N 3.2Å; L20-A23 VanDerWaalsContact O-N 3.12Å |
| 24 | G | 81.9 | Confident | 86.7 | Confident | 46 Ų | 46 | 55 Ų | 55 | 47% | 0.474 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92 | -4.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L20 F21 K22 M26 | L20-G24 PolarHBondContact O-N 3.08Å; L20-G24 VanDerWaalsContact O-N 3.08Å; F21-G24 PolarHBondContact O-N 3.31Å; K22-G24 PolarHBondContact O-N 2.94Å; G24-M26 PolarHBondContact O-N 3.49Å; G24-M26 VanDerWaalsContact O-N 3.1Å |
| 25 | D | 85.3 | Confident | 86.7 | Confident | 70 Ų | 70 | 57.6 Ų | 57.6 | 37% | 0.374 | 32% | 0.315 | S | S | . | . | trans | -81.6 | 87.7 | 176 | -178.3 | 6.3 | 0 | 0 | 0 | 111.1 | L20 Q27 G28 A29 | L20-D25 HydrophobicContact CD2-CB 4.34Å; L20-D25 PolarHBondContact O-N 3.43Å; D25-Q27 PolarHBondContact OD1-N 3.46Å; D25-G28 PolarHBondContact OD1-N 3.11Å; D25-G28 WeakPolarHBondContact OD2-CA 3.44Å; D25-A29 WeakPolarHBondContact O-CB 3.2Å; D25-A29 PolarHBondContact O-N 3.37Å; D25-A29 VanDerWaalsContact O-N 3.12Å | ||
| 26 | M | 84.3 | Confident | 86.5 | Confident | 36 Ų | 36 | 52.7 Ų | 52.7 | 18% | 0.177 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -69.9 | -31 | -177.9 | -56.7 | -61.2 | 157 | 0 | 0 | 112.8 | F21 G24 L30 K59 L60 | F21-M26 HydrophobicContact CD2-SD 3.74Å; F21-M26 HydrophobicContact CE2-CE 4.46Å; F21-M26 HydrophobicContact CE2-SD 3.7Å; G24-M26 PolarHBondContact O-N 3.49Å; G24-M26 VanDerWaalsContact O-N 3.1Å; M26-L30 VanDerWaalsContact O-CB 3.27Å; M26-L30 WeakPolarHBondContact O-CB 3.42Å; M26-L30 PolarHBondContact O-N 3.15Å; M26-K59 HydrophobicContact CE-CB 4.33Å; M26-K59 HydrophobicContact CE-CG 4.21Å; M26-K59 HydrophobicContact CG-CB 4Å; M26-K59 HydrophobicContact SD-CB 3.77Å; M26-K59 HydrophobicContact SD-CG 4.02Å; M26-L60 HydrophobicContact CB-CD1 4.18Å; M26-L60 HydrophobicContact CB-CD2 3.81Å; M26-L60 HydrophobicContact CB-CG 3.83Å |
| 27 | Q | 83.9 | Confident | 86.4 | Confident | 143 Ų | 143 | 50.7 Ų | 50.7 | 67% | 0.668 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -78.6 | -42.2 | -178.1 | -80.6 | 164.5 | -14.2 | 0 | 0 | 111.4 | D25 L30 C31 L60 | D25-Q27 PolarHBondContact OD1-N 3.46Å; Q27-L30 PolarHBondContact O-N 2.96Å; Q27-C31 PolarHBondContact O-N 3.46Å; Q27-L60 HydrophobicContact CG-CD1 4.37Å; Q27-L60 HydrophobicContact CG-CD2 4.24Å |
| 28 | G | 81.3 | Confident | 86.2 | Confident | 16 Ų | 16 | 58.8 Ų | 58.8 | 17% | 0.165 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59 | -47.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D25 L30 C31 C32 | D25-G28 PolarHBondContact OD1-N 3.11Å; D25-G28 WeakPolarHBondContact OD2-CA 3.44Å; G28-L30 PolarHBondContact O-N 3.49Å; G28-C31 WeakPolarHBondContact O-CB 3.33Å; G28-C31 PolarHBondContact O-N 2.89Å; G28-C32 PolarHBondContact O-N 3.2Å; G28-C32 PolarHBondContact O-SG 3.37Å; G28-C32 VanDerWaalsContact O-SG 3.37Å |
| 29 | A | 86.3 | Confident | 85.8 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.1 | -43.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G17 L20 F21 D25 C31 C32 Y33 | G17-A29 WeakPolarHBondContact O-CB 3.47Å; L20-A29 HydrophobicContact CB-CB 4.06Å; F21-A29 HydrophobicContact CB-CB 4.09Å; D25-A29 WeakPolarHBondContact O-CB 3.2Å; D25-A29 PolarHBondContact O-N 3.37Å; D25-A29 VanDerWaalsContact O-N 3.12Å; A29-C31 PolarHBondContact O-N 2.97Å; A29-C32 PolarHBondContact O-N 3.32Å; A29-Y33 HydrophobicContact CB-CE2 4.16Å; A29-Y33 WeakPolarHBondContact O-CD2 3.32Å; A29-Y33 PolarHBondContact O-N 3.19Å |
| 30 | L | 88.8 | Confident | 85.3 | Confident | 31 Ų | 31 | 58.3 Ų | 58.3 | 16% | 0.162 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 178.3 | -167.4 | 164.1 | 0 | 0 | 0 | 111.9 | M26 Q27 G28 T34 R53 C56 Y57 L60 | M26-L30 VanDerWaalsContact O-CB 3.27Å; M26-L30 WeakPolarHBondContact O-CB 3.42Å; M26-L30 PolarHBondContact O-N 3.15Å; Q27-L30 PolarHBondContact O-N 2.96Å; G28-L30 PolarHBondContact O-N 3.49Å; L30-T34 VanDerWaalsContact O-CB 3.3Å; L30-T34 WeakPolarHBondContact O-CB 3.47Å; L30-T34 PolarHBondContact O-N 3Å; L30-T34 PolarHBondContact O-OG1 3.25Å; L30-R53 HydrophobicContact CG-CG 4.22Å; L30-C56 HydrophobicContact CB-CB 4.34Å; L30-Y57 HydrophobicContact CD1-CD1 3.75Å; L30-Y57 HydrophobicContact CD1-CE1 3.38Å; L30-Y57 HydrophobicContact CD2-CE1 4.43Å; L30-Y57 HydrophobicContact CG-CE1 4.2Å; L30-L60 HydrophobicContact CD1-CD1 3.55Å |
| 31 | C | 87.1 | Confident | 84.6 | Confident | 57 Ų | 57 | 63.9 Ų | 63.9 | 39% | 0.385 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61 | -47.9 | 174.1 | -172.6 | 0 | 0 | 0 | 0 | 111.1 | Q27 G28 A29 T34 K35 | Q27-C31 PolarHBondContact O-N 3.46Å; G28-C31 WeakPolarHBondContact O-CB 3.33Å; G28-C31 PolarHBondContact O-N 2.89Å; A29-C31 PolarHBondContact O-N 2.97Å; C31-T34 PolarHBondContact O-N 3.38Å; C31-K35 WeakPolarHBondContact O-CB 3.45Å; C31-K35 WeakPolarHBondContact O-CG 3.29Å; C31-K35 PolarHBondContact O-N 3.36Å; C31-K35 VanDerWaalsContact SG-CE 3.57Å |
| 32 | C | 85.9 | Confident | 84.2 | Confident | 13 Ų | 13 | 63.3 Ų | 63.3 | 9% | 0.088 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.7 | -46.9 | 177.7 | -68.7 | 0 | 0 | 0 | 0 | 112.3 | G28 A29 T34 K35 A36 | G28-C32 PolarHBondContact O-N 3.2Å; G28-C32 PolarHBondContact O-SG 3.37Å; G28-C32 VanDerWaalsContact O-SG 3.37Å; A29-C32 PolarHBondContact O-N 3.32Å; C32-T34 VanDerWaalsContact C-N 3.34Å; C32-T34 PolarHBondContact O-N 2.94Å; C32-K35 PolarHBondContact O-N 3.49Å; C32-A36 WeakPolarHBondContact O-CB 3.34Å; C32-A36 PolarHBondContact O-N 2.97Å |
| 33 | Y | 88.9 | Confident | 83.7 | Confident | 4 Ų | 4 | 61.2 Ų | 61.2 | 2% | 0.016 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.8 | -36.3 | 176.7 | -65 | -42.2 | 0 | 0 | 0 | 112.9 | G17 N18 A29 A36 L37 L49 N52 R53 | G17-Y33 PolarHBondContact O-OH 3.28Å; N18-Y33 WeakPolarHBondContact CA-OH 3.41Å; N18-Y33 PolarHBondContact N-OH 2.91Å; N18-Y33 PolarHBondContact OD1-OH 3.32Å; A29-Y33 HydrophobicContact CB-CE2 4.16Å; A29-Y33 WeakPolarHBondContact O-CD2 3.32Å; A29-Y33 PolarHBondContact O-N 3.19Å; Y33-A36 PolarHBondContact O-N 3.48Å; Y33-L37 WeakPolarHBondContact O-CB 3.19Å; Y33-L37 WeakPolarHBondContact O-CG 3.11Å; Y33-L37 PolarHBondContact O-N 2.97Å; Y33-L49 HydrophobicContact CD1-CD2 3.79Å; Y33-N52 HydrophobicContact CD1-CB 4.46Å; Y33-N52 HydrophobicContact CD2-CB 4.35Å; Y33-N52 HydrophobicContact CE1-CB 3.99Å; Y33-N52 HydrophobicContact CE2-CB 3.86Å; Y33-R53 HydrophobicContact CD2-CB 4.37Å |
| 34 | T | 88.6 | Confident | 83.5 | Confident | 38 Ų | 38 | 60.5 Ų | 60.5 | 23% | 0.233 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -71.2 | -35 | 177.4 | -58.6 | 0 | 0 | 0 | 0 | 111.9 | L30 C31 C32 K38 R53 | L30-T34 VanDerWaalsContact O-CB 3.3Å; L30-T34 WeakPolarHBondContact O-CB 3.47Å; L30-T34 PolarHBondContact O-N 3Å; L30-T34 PolarHBondContact O-OG1 3.25Å; C31-T34 PolarHBondContact O-N 3.38Å; C32-T34 VanDerWaalsContact C-N 3.34Å; C32-T34 PolarHBondContact O-N 2.94Å; T34-K38 WeakPolarHBondContact O-CG 3.5Å; T34-K38 PolarHBondContact O-N 2.95Å; T34-R53 WeakPolarHBondContact OG1-CD 3.38Å; T34-R53 PolarHBondContact OG1-NH1 3.39Å |
| 35 | K | 85.4 | Confident | 83.4 | Confident | 103 Ų | 103 | 61.7 Ų | 61.7 | 45% | 0.448 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.9 | -44.7 | 171.2 | -73.4 | 175.9 | 178.4 | -179 | 0 | 111.1 | L13 C31 C32 L37 K38 L39 | L13-K35 HydrophobicContact CD1-CB 4.22Å; C31-K35 WeakPolarHBondContact O-CB 3.45Å; C31-K35 WeakPolarHBondContact O-CG 3.29Å; C31-K35 PolarHBondContact O-N 3.36Å; C31-K35 VanDerWaalsContact SG-CE 3.57Å; C32-K35 PolarHBondContact O-N 3.49Å; K35-L37 VanDerWaalsContact C-N 3.34Å; K35-L37 PolarHBondContact O-N 3.25Å; K35-K38 PolarHBondContact O-N 3.47Å; K35-K38 VanDerWaalsContact O-N 3.13Å; K35-L39 PolarHBondContact O-N 3.22Å |
| 36 | A | 84.8 | Confident | 83.4 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.3 | -45.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L13 C32 Y33 K38 L39 T40 L49 | L13-A36 HydrophobicContact CB-CB 3.95Å; C32-A36 WeakPolarHBondContact O-CB 3.34Å; C32-A36 PolarHBondContact O-N 2.97Å; Y33-A36 PolarHBondContact O-N 3.48Å; A36-K38 PolarHBondContact O-N 2.88Å; A36-K38 VanDerWaalsContact O-N 3.16Å; A36-L39 PolarHBondContact O-N 3.39Å; A36-T40 PolarHBondContact O-N 2.76Å; A36-T40 PolarHBondContact O-OG1 2.91Å; A36-L49 HydrophobicContact CB-CD1 3.74Å; A36-L49 HydrophobicContact CB-CD2 3.78Å; A36-L49 HydrophobicContact CB-CG 4.44Å |
| 37 | L | 85.8 | Confident | 83.4 | Confident | 23 Ų | 23 | 57.7 Ų | 57.7 | 12% | 0.12 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.1 | -25.2 | 177.1 | -80.6 | 166.8 | 0 | 0 | 0 | 114.4 | Y33 K35 S46 L49 Y50 R53 | Y33-L37 WeakPolarHBondContact O-CB 3.19Å; Y33-L37 WeakPolarHBondContact O-CG 3.11Å; Y33-L37 PolarHBondContact O-N 2.97Å; K35-L37 VanDerWaalsContact C-N 3.34Å; K35-L37 PolarHBondContact O-N 3.25Å; L37-S46 WeakPolarHBondContact CD2-OG 3.34Å; L37-L49 HydrophobicContact CD1-CB 4.35Å; L37-L49 HydrophobicContact CD2-CB 3.61Å; L37-L49 HydrophobicContact CD2-CD1 4.03Å; L37-L49 HydrophobicContact CD2-CG 4.49Å; L37-L49 HydrophobicContact CG-CB 3.73Å; L37-L49 HydrophobicContact CG-CD1 4.05Å; L37-Y50 HydrophobicContact CD1-CD1 3.94Å; L37-Y50 HydrophobicContact CD1-CE1 3.84Å; L37-Y50 HydrophobicContact CD2-CD1 4.33Å; L37-Y50 HydrophobicContact CD2-CD2 4.07Å; L37-Y50 HydrophobicContact CD2-CE1 4.14Å; L37-Y50 HydrophobicContact CD2-CE2 3.87Å; L37-Y50 HydrophobicContact CD2-CG 4.28Å; L37-R53 VanDerWaalsContact CD1-CZ 3.42Å; L37-R53 VanDerWaalsContact CD1-NH1 3.35Å |
| 38 | K | 84.6 | Confident | 83.7 | Confident | 170 Ų | 170 | 53 Ų | 53 | 74% | 0.739 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -81.1 | -20.4 | 176.2 | -71.7 | 179.2 | -179.4 | -175.8 | 0 | 113.3 | T34 K35 A36 | T34-K38 WeakPolarHBondContact O-CG 3.5Å; T34-K38 PolarHBondContact O-N 2.95Å; K35-K38 PolarHBondContact O-N 3.47Å; K35-K38 VanDerWaalsContact O-N 3.13Å; A36-K38 PolarHBondContact O-N 2.88Å; A36-K38 VanDerWaalsContact O-N 3.16Å |
| 39 | L | 80.9 | Confident | 84 | Confident | 83 Ų | 83 | 52.4 Ų | 52.4 | 44% | 0.435 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -106.7 | -10.5 | -174.7 | -63.5 | 170.6 | 0 | 0 | 0 | 112.4 | P10 L13 K35 A36 | P10-L39 HydrophobicContact CG-CB 3.78Å; P10-L39 WeakPolarHBondContact CG-O 3.24Å; L13-L39 HydrophobicContact CD1-CD1 3.66Å; K35-L39 PolarHBondContact O-N 3.22Å; A36-L39 PolarHBondContact O-N 3.39Å |
| 40 | T | 79.6 | Confident | 84.2 | Confident | 22 Ų | 22 | 54.9 Ų | 54.9 | 14% | 0.135 | 30% | 0.296 | C | S | . | . | trans | -90.9 | 121.4 | 179.7 | -64 | 0 | 0 | 0 | 0 | 111.4 | P10 A36 S42 D45 | P10-T40 WeakPolarHBondContact CB-OG1 3.48Å; A36-T40 PolarHBondContact O-N 2.76Å; A36-T40 PolarHBondContact O-OG1 2.91Å; T40-S42 WeakPolarHBondContact CG2-O 3.29Å; T40-D45 HydrophobicContact CG2-CB 3.57Å | ||
| 41 | D | 73.8 | Confident | 84.4 | Confident | 162 Ų | 162 | 55.9 Ų | 55.9 | 87% | 0.866 | 30% | 0.297 | S | S | * | . | trans | -94 | -11.2 | 172 | -64.5 | -37.1 | 0 | 0 | 0 | 113.2 | ||||
| 42 | S | 80 | Confident | 84.6 | Confident | 50 Ų | 50 | 54 Ų | 54 | 35% | 0.35 | 28% | 0.283 | S | S | . | . | trans | -82.1 | 121.7 | 179.5 | 167.6 | 0 | 0 | 0 | 0 | 111.8 | T40 A44 D45 S46 | T40-S42 WeakPolarHBondContact CG2-O 3.29Å; S42-A44 VanDerWaalsContact C-N 3.31Å; S42-A44 PolarHBondContact O-N 3.41Å; S42-D45 WeakPolarHBondContact CB-OD2 3.44Å; S42-D45 PolarHBondContact O-N 2.7Å; S42-D45 PolarHBondContact OG-N 3.26Å; S42-D45 PolarHBondContact OG-OD2 3.19Å; S42-S46 WeakPolarHBondContact O-CB 3.37Å; S42-S46 PolarHBondContact O-N 2.91Å | ||
| 43 | Q | 77.3 | Confident | 84.9 | Confident | 136 Ų | 136 | 54.6 Ų | 54.6 | 64% | 0.636 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -61.8 | -37.9 | 177.9 | -67.8 | -65.5 | -23.7 | 0 | 0 | 112.3 | S46 A47 T76 | Q43-S46 WeakPolarHBondContact O-CB 3.37Å; Q43-S46 PolarHBondContact O-N 3.19Å; Q43-A47 PolarHBondContact O-N 2.75Å; Q43-T76 HydrophobicContact CB-CG2 4.24Å |
| 44 | A | 78.3 | Confident | 85 | Confident | 67 Ų | 67 | 54.4 Ų | 54.4 | 55% | 0.554 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -67.2 | -41.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S42 S46 A47 V48 | S42-A44 VanDerWaalsContact C-N 3.31Å; S42-A44 PolarHBondContact O-N 3.41Å; A44-S46 VanDerWaalsContact C-N 3.34Å; A44-A47 PolarHBondContact O-N 2.87Å; A44-V48 PolarHBondContact O-N 2.88Å |
| 45 | D | 80.9 | Confident | 85.1 | Confident | 72 Ų | 72 | 53.1 Ų | 53.1 | 39% | 0.385 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -69.7 | -35.5 | 176.4 | -69 | -56.7 | 0 | 0 | 0 | 111.6 | T40 S42 A47 V48 L49 | T40-D45 HydrophobicContact CG2-CB 3.57Å; S42-D45 WeakPolarHBondContact CB-OD2 3.44Å; S42-D45 PolarHBondContact O-N 2.7Å; S42-D45 PolarHBondContact OG-N 3.26Å; S42-D45 PolarHBondContact OG-OD2 3.19Å; D45-A47 PolarHBondContact O-N 3.19Å; D45-V48 PolarHBondContact O-N 3.45Å; D45-L49 VanDerWaalsContact O-CG 3.3Å; D45-L49 WeakPolarHBondContact O-CG 3.46Å; D45-L49 PolarHBondContact O-N 3.01Å |
| 46 | S | 84.4 | Confident | 85.4 | Confident | 15 Ų | 15 | 48.2 Ų | 48.2 | 11% | 0.105 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 173.5 | -163.8 | 0 | 0 | 0 | 0 | 111.7 | L37 S42 Q43 A44 V48 L49 Y50 | L37-S46 WeakPolarHBondContact CD2-OG 3.34Å; S42-S46 WeakPolarHBondContact O-CB 3.37Å; S42-S46 PolarHBondContact O-N 2.91Å; Q43-S46 WeakPolarHBondContact O-CB 3.37Å; Q43-S46 PolarHBondContact O-N 3.19Å; A44-S46 VanDerWaalsContact C-N 3.34Å; S46-V48 PolarHBondContact O-N 2.98Å; S46-L49 PolarHBondContact O-N 3.27Å; S46-Y50 WeakPolarHBondContact O-CD2 3.47Å; S46-Y50 PolarHBondContact O-N 2.85Å; S46-Y50 WeakPolarHBondContact OG-CE2 3.41Å |
| 47 | A | 86.1 | Confident | 85.6 | Confident | 7 Ų | 7 | 49.3 Ų | 49.3 | 6% | 0.058 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.8 | -44.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q43 A44 D45 L49 Y50 R51 T76 | Q43-A47 PolarHBondContact O-N 2.75Å; A44-A47 PolarHBondContact O-N 2.87Å; D45-A47 PolarHBondContact O-N 3.19Å; A47-L49 VanDerWaalsContact C-N 3.33Å; A47-L49 PolarHBondContact O-N 3.22Å; A47-Y50 PolarHBondContact O-N 3.48Å; A47-R51 VanDerWaalsContact O-CB 3.27Å; A47-R51 WeakPolarHBondContact O-CB 3.32Å; A47-R51 PolarHBondContact O-N 3.42Å; A47-T76 HydrophobicContact CB-CG2 3.92Å |
| 48 | V | 88.1 | Confident | 85.7 | Confident | 45 Ų | 45 | 49.5 Ų | 49.5 | 27% | 0.273 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.5 | -38.9 | 176.5 | 176 | 0 | 0 | 0 | 0 | 111.6 | A44 D45 S46 R51 N52 | A44-V48 PolarHBondContact O-N 2.88Å; D45-V48 PolarHBondContact O-N 3.45Å; S46-V48 PolarHBondContact O-N 2.98Å; V48-R51 WeakPolarHBondContact O-CB 3.25Å; V48-R51 PolarHBondContact O-N 3.34Å; V48-N52 VanDerWaalsContact O-CG 3.28Å; V48-N52 PolarHBondContact O-N 2.95Å; V48-N52 PolarHBondContact O-OD1 2.85Å |
| 49 | L | 88.5 | Confident | 85.8 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.8 | -45.2 | 177.4 | -71.4 | 169.9 | 0 | 0 | 0 | 112.2 | K14 Y33 A36 L37 D45 S46 A47 R51 N52 R53 | K14-L49 HydrophobicContact CB-CD2 4Å; K14-L49 HydrophobicContact CD-CD2 4.42Å; K14-L49 HydrophobicContact CG-CD2 3.9Å; Y33-L49 HydrophobicContact CD1-CD2 3.79Å; A36-L49 HydrophobicContact CB-CD1 3.74Å; A36-L49 HydrophobicContact CB-CD2 3.78Å; A36-L49 HydrophobicContact CB-CG 4.44Å; L37-L49 HydrophobicContact CD1-CB 4.35Å; L37-L49 HydrophobicContact CD2-CB 3.61Å; L37-L49 HydrophobicContact CD2-CD1 4.03Å; L37-L49 HydrophobicContact CD2-CG 4.49Å; L37-L49 HydrophobicContact CG-CB 3.73Å; L37-L49 HydrophobicContact CG-CD1 4.05Å; D45-L49 VanDerWaalsContact O-CG 3.3Å; D45-L49 WeakPolarHBondContact O-CG 3.46Å; D45-L49 PolarHBondContact O-N 3.01Å; S46-L49 PolarHBondContact O-N 3.27Å; A47-L49 VanDerWaalsContact C-N 3.33Å; A47-L49 PolarHBondContact O-N 3.22Å; L49-R51 VanDerWaalsContact C-N 3.3Å; L49-R51 PolarHBondContact O-N 3.32Å; L49-N52 PolarHBondContact O-N 3.43Å; L49-R53 WeakPolarHBondContact O-CB 3.46Å; L49-R53 PolarHBondContact O-N 3.43Å |
| 50 | Y | 90.6 | Very high | 86 | Confident | 52 Ų | 52 | 46.7 Ų | 46.7 | 20% | 0.204 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.2 | -42.4 | 172.9 | -77.2 | -57.6 | 0 | 0 | 0 | 111.6 | L37 S46 A47 N52 R53 S54 D69 K72 | L37-Y50 HydrophobicContact CD1-CD1 3.94Å; L37-Y50 HydrophobicContact CD1-CE1 3.84Å; L37-Y50 HydrophobicContact CD2-CD1 4.33Å; L37-Y50 HydrophobicContact CD2-CD2 4.07Å; L37-Y50 HydrophobicContact CD2-CE1 4.14Å; L37-Y50 HydrophobicContact CD2-CE2 3.87Å; L37-Y50 HydrophobicContact CD2-CG 4.28Å; S46-Y50 WeakPolarHBondContact O-CD2 3.47Å; S46-Y50 PolarHBondContact O-N 2.85Å; S46-Y50 WeakPolarHBondContact OG-CE2 3.41Å; A47-Y50 PolarHBondContact O-N 3.48Å; Y50-N52 PolarHBondContact O-N 3.24Å; Y50-R53 PolarHBondContact O-N 3.02Å; Y50-S54 PolarHBondContact O-N 2.99Å; Y50-S54 PolarHBondContact O-OG 3.11Å; Y50-D69 HydrophobicContact CD1-CB 4.36Å; Y50-D69 WeakPolarHBondContact CD1-OD1 3.34Å; Y50-K72 HydrophobicContact CD1-CB 4.4Å; Y50-K72 HydrophobicContact CD1-CD 4.17Å; Y50-K72 HydrophobicContact CD2-CB 4.1Å; Y50-K72 HydrophobicContact CE1-CD 3.79Å; Y50-K72 HydrophobicContact CE2-CB 4.37Å; Y50-K72 HydrophobicContact CE2-CD 4.41Å; Y50-K72 HydrophobicContact CG-CB 4.14Å |
| 51 | R | 92.9 | Very high | 86.3 | Confident | 51 Ų | 51 | 52.3 Ų | 52.3 | 19% | 0.192 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.5 | -45.5 | 174.4 | -168.8 | -158.1 | 70.6 | -173.7 | -11.6 | 111.6 | A47 V48 L49 S54 A73 D80 A83 R86 | A47-R51 VanDerWaalsContact O-CB 3.27Å; A47-R51 WeakPolarHBondContact O-CB 3.32Å; A47-R51 PolarHBondContact O-N 3.42Å; V48-R51 WeakPolarHBondContact O-CB 3.25Å; V48-R51 PolarHBondContact O-N 3.34Å; L49-R51 VanDerWaalsContact C-N 3.3Å; L49-R51 PolarHBondContact O-N 3.32Å; R51-S54 PolarHBondContact O-OG 3.38Å; R51-A73 HydrophobicContact CB-CB 4.13Å; R51-D80 WeakPolarHBondContact CD-OD2 3.32Å; R51-D80 IonicContact NH1-OD2 3.28Å; R51-A83 HydrophobicContact CG-CB 4Å; R51-R86 VanDerWaalsContact C-NH1 3.32Å; R51-R86 PolarHBondContact O-NH1 2.68Å |
| 52 | N | 91.2 | Very high | 86.8 | Confident | 17 Ų | 17 | 48 Ų | 48 | 9% | 0.091 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -71.8 | -37.4 | -179.8 | -70.4 | -4.1 | 0 | 0 | 0 | 112.2 | N18 Y33 V48 L49 Y50 A55 C56 | N18-N52 PolarHBondContact OD1-ND2 3.46Å; Y33-N52 HydrophobicContact CD1-CB 4.46Å; Y33-N52 HydrophobicContact CD2-CB 4.35Å; Y33-N52 HydrophobicContact CE1-CB 3.99Å; Y33-N52 HydrophobicContact CE2-CB 3.86Å; V48-N52 VanDerWaalsContact O-CG 3.28Å; V48-N52 PolarHBondContact O-N 2.95Å; V48-N52 PolarHBondContact O-OD1 2.85Å; L49-N52 PolarHBondContact O-N 3.43Å; Y50-N52 PolarHBondContact O-N 3.24Å; N52-A55 VanDerWaalsContact O-CB 3.3Å; N52-A55 WeakPolarHBondContact O-CB 3.25Å; N52-A55 PolarHBondContact O-N 3.26Å; N52-A55 VanDerWaalsContact O-N 3.16Å; N52-C56 PolarHBondContact O-N 3Å |
| 53 | R | 91.9 | Very high | 86.9 | Confident | 27 Ų | 27 | 48 Ų | 48 | 10% | 0.102 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68 | -35.5 | 176.8 | -162.8 | 173 | 66.6 | 176.8 | 0.5 | 112.8 | L30 Y33 T34 L37 L49 Y50 A55 C56 Y57 D69 | L30-R53 HydrophobicContact CG-CG 4.22Å; Y33-R53 HydrophobicContact CD2-CB 4.37Å; T34-R53 WeakPolarHBondContact OG1-CD 3.38Å; T34-R53 PolarHBondContact OG1-NH1 3.39Å; L37-R53 VanDerWaalsContact CD1-CZ 3.42Å; L37-R53 VanDerWaalsContact CD1-NH1 3.35Å; L49-R53 WeakPolarHBondContact O-CB 3.46Å; L49-R53 PolarHBondContact O-N 3.43Å; Y50-R53 PolarHBondContact O-N 3.02Å; R53-A55 PolarHBondContact O-N 3.38Å; R53-C56 WeakPolarHBondContact O-CB 3.33Å; R53-C56 PolarHBondContact O-N 3.16Å; R53-C56 VanDerWaalsContact O-N 3.09Å; R53-Y57 HydrophobicContact CG-CD2 4.12Å; R53-Y57 HydrophobicContact CG-CE2 3.74Å; R53-Y57 WeakPolarHBondContact O-CD2 3.25Å; R53-Y57 PolarHBondContact O-N 3.47Å; R53-D69 IonicContact CZ-OD1 3.45Å; R53-D69 IonicContact CZ-OD2 2.76Å; R53-D69 VanDerWaalsContact CZ-OD2 3.31Å; R53-D69 IonicContact NE-OD1 3.29Å; R53-D69 IonicContact NE-OD2 2.75Å; R53-D69 PolarHBondContact NE-OD2 3.3Å; R53-D69 VanDerWaalsContact NH2-CG 3.34Å; R53-D69 IonicContact NH2-OD1 3.5Å; R53-D69 PolarHBondContact NH2-OD1 3Å; R53-D69 IonicContact NH2-OD2 3.16Å; R53-D69 PolarHBondContact NH2-OD2 3.46Å; R53-D69 VanDerWaalsContact NH2-OD2 3.11Å |
| 54 | S | 91.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.1 | -31.5 | 171.7 | 63.7 | 0 | 0 | 0 | 0 | 112.6 | Y50 R51 Y57 L58 A66 | Y50-S54 PolarHBondContact O-N 2.99Å; Y50-S54 PolarHBondContact O-OG 3.11Å; R51-S54 PolarHBondContact O-OG 3.38Å; S54-Y57 PolarHBondContact O-N 3.18Å; S54-L58 WeakPolarHBondContact O-CG 3.26Å; S54-L58 PolarHBondContact O-N 3.02Å; S54-A66 VanDerWaalsContact CB-O 3.3Å; S54-A66 WeakPolarHBondContact CB-O 3.46Å |
| 55 | A | 90.4 | Very high | 87.3 | Confident | 10 Ų | 10 | 46.6 Ų | 46.6 | 8% | 0.083 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.3 | -39.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F21 N52 R53 L58 K59 | F21-A55 HydrophobicContact CE2-CB 4.02Å; F21-A55 HydrophobicContact CZ-CB 3.98Å; N52-A55 VanDerWaalsContact O-CB 3.3Å; N52-A55 WeakPolarHBondContact O-CB 3.25Å; N52-A55 PolarHBondContact O-N 3.26Å; N52-A55 VanDerWaalsContact O-N 3.16Å; R53-A55 PolarHBondContact O-N 3.38Å; A55-L58 PolarHBondContact O-N 3.24Å; A55-K59 WeakPolarHBondContact O-CG 3.34Å; A55-K59 PolarHBondContact O-N 2.97Å |
| 56 | C | 90.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.8 | -46.7 | 172.3 | -58.3 | 0 | 0 | 0 | 0 | 110.9 | F21 L30 N52 R53 L58 K59 L60 | F21-C56 VanDerWaalsContact CD2-SG 3.55Å; L30-C56 HydrophobicContact CB-CB 4.34Å; N52-C56 PolarHBondContact O-N 3Å; R53-C56 WeakPolarHBondContact O-CB 3.33Å; R53-C56 PolarHBondContact O-N 3.16Å; R53-C56 VanDerWaalsContact O-N 3.09Å; C56-L58 VanDerWaalsContact C-N 3.34Å; C56-L58 PolarHBondContact O-N 3.18Å; C56-K59 PolarHBondContact O-N 3.43Å; C56-K59 VanDerWaalsContact O-N 3.09Å; C56-L60 WeakPolarHBondContact O-CB 3.46Å; C56-L60 WeakPolarHBondContact O-CG 3.38Å; C56-L60 PolarHBondContact O-N 3.47Å |
| 57 | Y | 89.2 | Confident | 87.9 | Confident | 23 Ų | 23 | 44.3 Ų | 44.3 | 9% | 0.09 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.9 | -37.2 | 178.5 | -75 | -52.5 | 0 | 0 | 0 | 113.1 | L30 R53 S54 K59 L60 E61 E62 K65 D69 | L30-Y57 HydrophobicContact CD1-CD1 3.75Å; L30-Y57 HydrophobicContact CD1-CE1 3.38Å; L30-Y57 HydrophobicContact CD2-CE1 4.43Å; L30-Y57 HydrophobicContact CG-CE1 4.2Å; R53-Y57 HydrophobicContact CG-CD2 4.12Å; R53-Y57 HydrophobicContact CG-CE2 3.74Å; R53-Y57 WeakPolarHBondContact O-CD2 3.25Å; R53-Y57 PolarHBondContact O-N 3.47Å; S54-Y57 PolarHBondContact O-N 3.18Å; Y57-K59 VanDerWaalsContact C-N 3.3Å; Y57-K59 PolarHBondContact O-N 3.12Å; Y57-L60 CarbonylContact O-C 3.5Å; Y57-L60 PolarHBondContact O-N 3.39Å; Y57-E61 PolarHBondContact O-N 2.91Å; Y57-E61 VanDerWaalsContact O-N 3.16Å; Y57-E62 HydrophobicContact CD1-CB 3.84Å; Y57-E62 HydrophobicContact CD1-CG 4.45Å; Y57-E62 WeakPolarHBondContact CE1-OE2 3.47Å; Y57-E62 HydrophobicContact CG-CB 4.49Å; Y57-E62 PolarHBondContact O-N 3.41Å; Y57-K65 HydrophobicContact CD1-CB 3.95Å; Y57-K65 HydrophobicContact CD1-CD 4.24Å; Y57-K65 HydrophobicContact CD2-CB 3.85Å; Y57-K65 HydrophobicContact CE1-CB 4.03Å; Y57-K65 HydrophobicContact CE1-CD 3.64Å; Y57-K65 HydrophobicContact CE2-CB 3.94Å; Y57-K65 HydrophobicContact CG-CB 3.87Å; Y57-D69 VanDerWaalsContact CE2-OD2 3.26Å; Y57-D69 WeakPolarHBondContact CE2-OD2 3.41Å |
| 58 | L | 88.3 | Confident | 88 | Confident | 27 Ų | 27 | 45.9 Ų | 45.9 | 14% | 0.141 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.3 | -38.4 | 172.2 | -78.2 | 174.2 | 0 | 0 | 0 | 112.4 | S54 A55 C56 E61 Y63 A66 R86 Q89 A90 | S54-L58 WeakPolarHBondContact O-CG 3.26Å; S54-L58 PolarHBondContact O-N 3.02Å; A55-L58 PolarHBondContact O-N 3.24Å; C56-L58 VanDerWaalsContact C-N 3.34Å; C56-L58 PolarHBondContact O-N 3.18Å; L58-E61 PolarHBondContact O-N 3.29Å; L58-Y63 HydrophobicContact CD2-CD1 4.11Å; L58-A66 HydrophobicContact CD2-CB 3.9Å; L58-A66 HydrophobicContact CG-CB 3.79Å; L58-R86 HydrophobicContact CD1-CB 3.82Å; L58-R86 HydrophobicContact CD1-CG 3.92Å; L58-Q89 HydrophobicContact CD1-CB 4.3Å; L58-Q89 HydrophobicContact CD2-CB 4.4Å; L58-A90 HydrophobicContact CD2-CB 3.91Å |
| 59 | K | 87.4 | Confident | 88 | Confident | 146 Ų | 146 | 44.1 Ų | 44.1 | 64% | 0.635 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -75.2 | -29.2 | 178 | -71.1 | -68.6 | -175.1 | 177.1 | 0 | 113.2 | M26 A55 C56 Y57 E61 | M26-K59 HydrophobicContact CE-CB 4.33Å; M26-K59 HydrophobicContact CE-CG 4.21Å; M26-K59 HydrophobicContact CG-CB 4Å; M26-K59 HydrophobicContact SD-CB 3.77Å; M26-K59 HydrophobicContact SD-CG 4.02Å; A55-K59 WeakPolarHBondContact O-CG 3.34Å; A55-K59 PolarHBondContact O-N 2.97Å; C56-K59 PolarHBondContact O-N 3.43Å; C56-K59 VanDerWaalsContact O-N 3.09Å; Y57-K59 VanDerWaalsContact C-N 3.3Å; Y57-K59 PolarHBondContact O-N 3.12Å; K59-E61 VanDerWaalsContact C-N 3.26Å |
| 60 | L | 84.3 | Confident | 88.1 | Confident | 49 Ų | 49 | 44 Ų | 44 | 26% | 0.257 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 5.7 | 174.5 | -69 | 171.9 | 0 | 0 | 0 | 113.5 | M26 Q27 L30 C56 Y57 E62 | M26-L60 HydrophobicContact CB-CD1 4.18Å; M26-L60 HydrophobicContact CB-CD2 3.81Å; M26-L60 HydrophobicContact CB-CG 3.83Å; Q27-L60 HydrophobicContact CG-CD1 4.37Å; Q27-L60 HydrophobicContact CG-CD2 4.24Å; L30-L60 HydrophobicContact CD1-CD1 3.55Å; C56-L60 WeakPolarHBondContact O-CB 3.46Å; C56-L60 WeakPolarHBondContact O-CG 3.38Å; C56-L60 PolarHBondContact O-N 3.47Å; Y57-L60 CarbonylContact O-C 3.5Å; Y57-L60 PolarHBondContact O-N 3.39Å; L60-E62 HydrophobicContact CB-CG 4.44Å; L60-E62 PolarHBondContact O-N 3.05Å; L60-E62 VanDerWaalsContact O-N 3.16Å |
| 61 | E | 86.5 | Confident | 88 | Confident | 139 Ų | 139 | 42.4 Ų | 42.4 | 65% | 0.65 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61 | 17.7 | -177.9 | -51.5 | -170.8 | 159.3 | 0 | 0 | 114.9 | Y57 L58 K59 Y63 | Y57-E61 PolarHBondContact O-N 2.91Å; Y57-E61 VanDerWaalsContact O-N 3.16Å; L58-E61 PolarHBondContact O-N 3.29Å; K59-E61 VanDerWaalsContact C-N 3.26Å; E61-Y63 VanDerWaalsContact C-N 3.28Å; E61-Y63 HydrophobicContact CB-CE1 4.25Å; E61-Y63 HydrophobicContact CB-CE2 4.21Å; E61-Y63 PolarHBondContact O-N 3.36Å; E61-Y63 VanDerWaalsContact O-N 3.1Å |
| 62 | E | 83.4 | Confident | 87.8 | Confident | 71 Ų | 71 | 44.1 Ų | 44.1 | 33% | 0.332 | 22% | 0.219 | S | C | . | . | trans | -88.7 | 63.7 | 174.8 | -63.6 | -166.4 | -170.6 | 0 | 0 | 110.6 | Y57 L60 S64 K65 A66 | Y57-E62 HydrophobicContact CD1-CB 3.84Å; Y57-E62 HydrophobicContact CD1-CG 4.45Å; Y57-E62 WeakPolarHBondContact CE1-OE2 3.47Å; Y57-E62 HydrophobicContact CG-CB 4.49Å; Y57-E62 PolarHBondContact O-N 3.41Å; L60-E62 HydrophobicContact CB-CG 4.44Å; L60-E62 PolarHBondContact O-N 3.05Å; L60-E62 VanDerWaalsContact O-N 3.16Å; E62-S64 VanDerWaalsContact C-N 3.3Å; E62-S64 PolarHBondContact O-N 3.44Å; E62-K65 PolarHBondContact O-N 3.24Å; E62-K65 VanDerWaalsContact O-N 3.16Å; E62-K65 IonicContact OE1-NZ 2.68Å; E62-K65 WeakPolarHBondContact OE2-CD 3.36Å; E62-K65 WeakPolarHBondContact OE2-CE 3.39Å; E62-K65 IonicContact OE2-NZ 3.31Å; E62-K65 PolarHBondContact OE2-NZ 3.48Å; E62-A66 PolarHBondContact O-N 2.95Å | ||
| 63 | Y | 83.9 | Confident | 87.7 | Confident | 50 Ų | 50 | 43.3 Ų | 43.3 | 20% | 0.196 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.7 | -31.4 | -168.4 | -50.2 | -56.1 | 0 | 0 | 0 | 114.4 | L58 E61 A66 E67 K93 | L58-Y63 HydrophobicContact CD2-CD1 4.11Å; E61-Y63 VanDerWaalsContact C-N 3.28Å; E61-Y63 HydrophobicContact CB-CE1 4.25Å; E61-Y63 HydrophobicContact CB-CE2 4.21Å; E61-Y63 PolarHBondContact O-N 3.36Å; E61-Y63 VanDerWaalsContact O-N 3.1Å; Y63-A66 PolarHBondContact O-N 3.35Å; Y63-E67 WeakPolarHBondContact O-CB 3.35Å; Y63-E67 PolarHBondContact O-N 3.3Å; Y63-K93 HydrophobicContact CD1-CB 3.64Å; Y63-K93 HydrophobicContact CD1-CG 4.06Å; Y63-K93 HydrophobicContact CD2-CB 3.73Å; Y63-K93 HydrophobicContact CE1-CB 3.74Å; Y63-K93 HydrophobicContact CE1-CD 4.34Å; Y63-K93 HydrophobicContact CE1-CG 3.77Å; Y63-K93 HydrophobicContact CE2-CB 3.81Å; Y63-K93 HydrophobicContact CE2-CG 4.45Å; Y63-K93 HydrophobicContact CG-CB 3.64Å |
| 64 | S | 80.9 | Confident | 87.5 | Confident | 77 Ų | 77 | 42.5 Ų | 42.5 | 54% | 0.538 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -67.6 | -39.9 | 177.1 | 54.6 | 0 | 0 | 0 | 0 | 112.7 | E62 E67 A68 | E62-S64 VanDerWaalsContact C-N 3.3Å; E62-S64 PolarHBondContact O-N 3.44Å; S64-E67 PolarHBondContact O-N 3.47Å; S64-A68 PolarHBondContact O-N 2.93Å; S64-A68 VanDerWaalsContact O-N 3.14Å |
| 65 | K | 82.8 | Confident | 87.3 | Confident | 98 Ų | 98 | 48.6 Ų | 48.6 | 43% | 0.426 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -72.8 | -35.4 | 175.7 | -61.8 | -169 | -162.5 | 156.8 | 0 | 111.3 | Y57 E62 E67 A68 D69 | Y57-K65 HydrophobicContact CD1-CB 3.95Å; Y57-K65 HydrophobicContact CD1-CD 4.24Å; Y57-K65 HydrophobicContact CD2-CB 3.85Å; Y57-K65 HydrophobicContact CE1-CB 4.03Å; Y57-K65 HydrophobicContact CE1-CD 3.64Å; Y57-K65 HydrophobicContact CE2-CB 3.94Å; Y57-K65 HydrophobicContact CG-CB 3.87Å; E62-K65 PolarHBondContact O-N 3.24Å; E62-K65 VanDerWaalsContact O-N 3.16Å; E62-K65 IonicContact OE1-NZ 2.68Å; E62-K65 WeakPolarHBondContact OE2-CD 3.36Å; E62-K65 WeakPolarHBondContact OE2-CE 3.39Å; E62-K65 IonicContact OE2-NZ 3.31Å; E62-K65 PolarHBondContact OE2-NZ 3.48Å; K65-E67 VanDerWaalsContact C-N 3.31Å; K65-E67 PolarHBondContact O-N 3.47Å; K65-A68 PolarHBondContact O-N 2.95Å; K65-D69 WeakPolarHBondContact O-CB 3.34Å; K65-D69 PolarHBondContact O-N 3.45Å |
| 66 | A | 87.4 | Confident | 87 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.4 | -43.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | S54 L58 E62 Y63 A70 A90 | S54-A66 VanDerWaalsContact CB-O 3.3Å; S54-A66 WeakPolarHBondContact CB-O 3.46Å; L58-A66 HydrophobicContact CD2-CB 3.9Å; L58-A66 HydrophobicContact CG-CB 3.79Å; E62-A66 PolarHBondContact O-N 2.95Å; Y63-A66 PolarHBondContact O-N 3.35Å; A66-A70 WeakPolarHBondContact O-CB 3.37Å; A66-A70 PolarHBondContact O-N 3.26Å; A66-A90 HydrophobicContact CB-CB 4.26Å |
| 67 | E | 90.7 | Very high | 86.6 | Confident | 39 Ų | 39 | 54.7 Ų | 54.7 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.4 | -49.8 | 176.2 | -174.8 | -81.5 | 146.4 | 0 | 0 | 111.7 | Y63 S64 K65 D69 A70 S71 R87 A90 Y91 L94 | Y63-E67 WeakPolarHBondContact O-CB 3.35Å; Y63-E67 PolarHBondContact O-N 3.3Å; S64-E67 PolarHBondContact O-N 3.47Å; K65-E67 VanDerWaalsContact C-N 3.31Å; K65-E67 PolarHBondContact O-N 3.47Å; E67-D69 PolarHBondContact O-N 3.36Å; E67-A70 PolarHBondContact O-N 2.61Å; E67-S71 WeakPolarHBondContact O-CB 3.28Å; E67-S71 PolarHBondContact O-N 3.47Å; E67-S71 PolarHBondContact O-OG 3.27Å; E67-S71 PolarHBondContact OE1-OG 3.33Å; E67-R87 HydrophobicContact CG-CG 4.37Å; E67-A90 HydrophobicContact CB-CB 4.04Å; E67-Y91 HydrophobicContact CG-CD1 3.96Å; E67-Y91 HydrophobicContact CG-CE1 3.3Å; E67-Y91 PolarHBondContact OE1-OH 2.99Å; E67-L94 HydrophobicContact CB-CD1 4.16Å; E67-L94 HydrophobicContact CG-CD1 4.43Å |
| 68 | A | 87.4 | Confident | 86.3 | Confident | 40 Ų | 40 | 57.6 Ų | 57.6 | 33% | 0.331 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S64 K65 S71 K72 | S64-A68 PolarHBondContact O-N 2.93Å; S64-A68 VanDerWaalsContact O-N 3.14Å; K65-A68 PolarHBondContact O-N 2.95Å; A68-S71 PolarHBondContact O-N 3.28Å; A68-K72 WeakPolarHBondContact O-CG 3.5Å; A68-K72 PolarHBondContact O-N 2.93Å |
| 69 | D | 88.4 | Confident | 86 | Confident | 7 Ų | 7 | 58.5 Ų | 58.5 | 4% | 0.037 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -70.1 | -38.5 | 178 | -86 | -1.1 | 0 | 0 | 0 | 112.2 | Y50 R53 Y57 K65 E67 S71 K72 A73 | Y50-D69 HydrophobicContact CD1-CB 4.36Å; Y50-D69 WeakPolarHBondContact CD1-OD1 3.34Å; R53-D69 IonicContact CZ-OD1 3.45Å; R53-D69 IonicContact CZ-OD2 2.76Å; R53-D69 VanDerWaalsContact CZ-OD2 3.31Å; R53-D69 IonicContact NE-OD1 3.29Å; R53-D69 IonicContact NE-OD2 2.75Å; R53-D69 PolarHBondContact NE-OD2 3.3Å; R53-D69 VanDerWaalsContact NH2-CG 3.34Å; R53-D69 IonicContact NH2-OD1 3.5Å; R53-D69 PolarHBondContact NH2-OD1 3Å; R53-D69 IonicContact NH2-OD2 3.16Å; R53-D69 PolarHBondContact NH2-OD2 3.46Å; R53-D69 VanDerWaalsContact NH2-OD2 3.11Å; Y57-D69 VanDerWaalsContact CE2-OD2 3.26Å; Y57-D69 WeakPolarHBondContact CE2-OD2 3.41Å; K65-D69 WeakPolarHBondContact O-CB 3.34Å; K65-D69 PolarHBondContact O-N 3.45Å; E67-D69 PolarHBondContact O-N 3.36Å; D69-S71 VanDerWaalsContact C-N 3.32Å; D69-K72 PolarHBondContact O-N 2.94Å; D69-A73 PolarHBondContact O-N 3.31Å; D69-A73 VanDerWaalsContact O-N 3.07Å |
| 70 | A | 89.1 | Confident | 85.9 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.1 | -36.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A66 E67 A73 L74 R87 | A66-A70 WeakPolarHBondContact O-CB 3.37Å; A66-A70 PolarHBondContact O-N 3.26Å; E67-A70 PolarHBondContact O-N 2.61Å; A70-A73 PolarHBondContact O-N 3.08Å; A70-L74 VanDerWaalsContact O-CG 3.32Å; A70-L74 WeakPolarHBondContact O-CG 3.27Å; A70-L74 PolarHBondContact O-N 3.32Å; A70-L74 VanDerWaalsContact O-N 3.14Å; A70-R87 HydrophobicContact CB-CB 3.76Å; A70-R87 HydrophobicContact CB-CG 4.37Å |
| 71 | S | 90.3 | Very high | 86.1 | Confident | 19 Ų | 19 | 51.2 Ų | 51.2 | 13% | 0.133 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.6 | -44.5 | 173.5 | -70.9 | 0 | 0 | 0 | 0 | 111.9 | E67 A68 D69 A73 L74 D75 R87 | E67-S71 WeakPolarHBondContact O-CB 3.28Å; E67-S71 PolarHBondContact O-N 3.47Å; E67-S71 PolarHBondContact O-OG 3.27Å; E67-S71 PolarHBondContact OE1-OG 3.33Å; A68-S71 PolarHBondContact O-N 3.28Å; D69-S71 VanDerWaalsContact C-N 3.32Å; S71-A73 VanDerWaalsContact C-N 3.3Å; S71-A73 PolarHBondContact O-N 2.98Å; S71-L74 CarbonylContact O-C 3.58Å; S71-L74 PolarHBondContact O-N 3.45Å; S71-D75 PolarHBondContact O-N 3.04Å; S71-R87 WeakPolarHBondContact OG-CD 3.48Å; S71-R87 PolarHBondContact OG-NH1 3.5Å; S71-R87 VanDerWaalsContact OG-NH1 3.13Å |
| 72 | K | 87.8 | Confident | 86.2 | Confident | 88 Ų | 88 | 50.6 Ų | 50.6 | 38% | 0.383 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.8 | -36.7 | 175 | -73.7 | 174.6 | -177.3 | 175.1 | 0 | 113.5 | Y50 A68 D69 L74 T76 | Y50-K72 HydrophobicContact CD1-CB 4.4Å; Y50-K72 HydrophobicContact CD1-CD 4.17Å; Y50-K72 HydrophobicContact CD2-CB 4.1Å; Y50-K72 HydrophobicContact CE1-CD 3.79Å; Y50-K72 HydrophobicContact CE2-CB 4.37Å; Y50-K72 HydrophobicContact CE2-CD 4.41Å; Y50-K72 HydrophobicContact CG-CB 4.14Å; A68-K72 WeakPolarHBondContact O-CG 3.5Å; A68-K72 PolarHBondContact O-N 2.93Å; D69-K72 PolarHBondContact O-N 2.94Å; K72-L74 VanDerWaalsContact C-N 3.33Å; K72-T76 PolarHBondContact O-OG1 3.35Å |
| 73 | A | 88.6 | Confident | 86.4 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64 | -41.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | R51 D69 A70 S71 T76 D77 A83 | R51-A73 HydrophobicContact CB-CB 4.13Å; D69-A73 PolarHBondContact O-N 3.31Å; D69-A73 VanDerWaalsContact O-N 3.07Å; A70-A73 PolarHBondContact O-N 3.08Å; S71-A73 VanDerWaalsContact C-N 3.3Å; S71-A73 PolarHBondContact O-N 2.98Å; A73-T76 PolarHBondContact O-N 3.34Å; A73-D77 PolarHBondContact O-N 3.37Å; A73-A83 HydrophobicContact CB-CB 3.95Å |
| 74 | L | 88 | Confident | 86.8 | Confident | 9 Ų | 9 | 46.5 Ų | 46.5 | 5% | 0.047 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -73.4 | -27 | 178.8 | -68.8 | 167 | 0 | 0 | 0 | 114.1 | A70 S71 K72 T76 D77 P78 D80 A83 R84 | A70-L74 VanDerWaalsContact O-CG 3.32Å; A70-L74 WeakPolarHBondContact O-CG 3.27Å; A70-L74 PolarHBondContact O-N 3.32Å; A70-L74 VanDerWaalsContact O-N 3.14Å; S71-L74 CarbonylContact O-C 3.58Å; S71-L74 PolarHBondContact O-N 3.45Å; K72-L74 VanDerWaalsContact C-N 3.33Å; L74-T76 PolarHBondContact O-N 3.11Å; L74-D77 CarbonylContact O-C 3.48Å; L74-P78 VanDerWaalsContact O-CA 3.3Å; L74-P78 WeakPolarHBondContact O-CA 3.44Å; L74-P78 WeakPolarHBondContact O-CG 3.27Å; L74-P78 VanDerWaalsContact O-N 3.14Å; L74-D80 HydrophobicContact CD2-CB 4.47Å; L74-A83 HydrophobicContact CD2-CB 3.89Å; L74-A83 HydrophobicContact CG-CB 3.89Å; L74-R84 HydrophobicContact CD1-CB 4.33Å; L74-R84 HydrophobicContact CD1-CG 4.5Å; L74-R84 HydrophobicContact CD2-CB 4.05Å |
| 75 | D | 87.1 | Confident | 87.2 | Confident | 129 Ų | 129 | 44.4 Ų | 44.4 | 69% | 0.69 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -62.7 | -30 | 172.1 | -69.1 | -22.4 | 0 | 0 | 0 | 111.3 | S71 | S71-D75 PolarHBondContact O-N 3.04Å |
| 76 | T | 84.2 | Confident | 87.6 | Confident | 59 Ų | 59 | 42.2 Ų | 42.2 | 36% | 0.362 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -92.1 | -45.8 | 179.6 | -48 | 0 | 0 | 0 | 0 | 112 | Q43 A47 K72 A73 L74 | Q43-T76 HydrophobicContact CB-CG2 4.24Å; A47-T76 HydrophobicContact CB-CG2 3.92Å; K72-T76 PolarHBondContact O-OG1 3.35Å; A73-T76 PolarHBondContact O-N 3.34Å; L74-T76 PolarHBondContact O-N 3.11Å |
| 77 | D | 82.1 | Confident | 87.9 | Confident | 78 Ų | 78 | 43.9 Ų | 43.9 | 42% | 0.417 | 24% | 0.238 | S | C | . | . | trans | -123.5 | 91.2 | 174.1 | -178.1 | 5.4 | 0 | 0 | 0 | 110.6 | A73 L74 G79 D80 | A73-D77 PolarHBondContact O-N 3.37Å; L74-D77 CarbonylContact O-C 3.48Å; D77-G79 PolarHBondContact O-N 3.21Å; D77-G79 VanDerWaalsContact O-N 3.08Å; D77-G79 WeakPolarHBondContact OD1-CA 3.39Å; D77-G79 PolarHBondContact OD1-N 3.11Å; D77-D80 HydrophobicContact CB-CB 4.33Å; D77-D80 PolarHBondContact O-N 3.23Å; D77-D80 PolarHBondContact OD1-N 3.13Å | ||
| 78 | P | 83.1 | Confident | 87.8 | Confident | 84 Ų | 84 | 42 Ų | 42 | 55% | 0.545 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -14.9 | 178 | -23.7 | 34 | 0 | 0 | 0 | 114.2 | L74 R84 | L74-P78 VanDerWaalsContact O-CA 3.3Å; L74-P78 WeakPolarHBondContact O-CA 3.44Å; L74-P78 WeakPolarHBondContact O-CG 3.27Å; L74-P78 VanDerWaalsContact O-N 3.14Å; P78-R84 PolarHBondContact O-NH1 3.24Å |
| 79 | G | 81.6 | Confident | 88 | Confident | 46 Ų | 46 | 43.3 Ų | 43.3 | 47% | 0.474 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -6.8 | 180 | 0 | 0 | 0 | 0 | 0 | 114.5 | D77 V81 | D77-G79 PolarHBondContact O-N 3.21Å; D77-G79 VanDerWaalsContact O-N 3.08Å; D77-G79 WeakPolarHBondContact OD1-CA 3.39Å; D77-G79 PolarHBondContact OD1-N 3.11Å; G79-V81 PolarHBondContact O-N 2.84Å |
| 80 | D | 86.1 | Confident | 88 | Confident | 21 Ų | 21 | 43 Ų | 43 | 11% | 0.112 | 23% | 0.227 | C | C | . | . | trans | -70.6 | 95.7 | -176.6 | -170.7 | -16.2 | 0 | 0 | 0 | 112.2 | R51 L74 D77 K82 A83 R84 | R51-D80 WeakPolarHBondContact CD-OD2 3.32Å; R51-D80 IonicContact NH1-OD2 3.28Å; L74-D80 HydrophobicContact CD2-CB 4.47Å; D77-D80 HydrophobicContact CB-CB 4.33Å; D77-D80 PolarHBondContact O-N 3.23Å; D77-D80 PolarHBondContact OD1-N 3.13Å; D80-K82 PolarHBondContact O-N 3.25Å; D80-K82 WeakPolarHBondContact OD1-CA 3.2Å; D80-K82 WeakPolarHBondContact OD1-CB 3.32Å; D80-K82 PolarHBondContact OD1-N 3.35Å; D80-A83 HydrophobicContact CB-CB 3.88Å; D80-A83 PolarHBondContact O-N 3.46Å; D80-A83 PolarHBondContact OD1-N 3.12Å; D80-A83 VanDerWaalsContact OD1-N 3.07Å; D80-R84 WeakPolarHBondContact O-CB 3.46Å; D80-R84 PolarHBondContact O-N 3.08Å | ||
| 81 | V | 88.2 | Confident | 87.9 | Confident | 21 Ų | 21 | 43.9 Ų | 43.9 | 13% | 0.127 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.3 | -32.2 | 177.9 | -175 | 0 | 0 | 0 | 0 | 111.8 | G79 F85 C107 L110 E111 F117 | G79-V81 PolarHBondContact O-N 2.84Å; V81-F85 VanDerWaalsContact O-CB 3.29Å; V81-F85 WeakPolarHBondContact O-CB 3.42Å; V81-F85 PolarHBondContact O-N 3.23Å; V81-C107 HydrophobicContact CG1-CB 4.2Å; V81-L110 HydrophobicContact CG2-CB 4.06Å; V81-L110 HydrophobicContact CG2-CD1 3.87Å; V81-E111 HydrophobicContact CG1-CG 4.33Å; V81-F117 HydrophobicContact CG1-CE2 3.76Å; V81-F117 HydrophobicContact CG1-CZ 3.74Å |
| 82 | K | 88.3 | Confident | 87.8 | Confident | 126 Ų | 126 | 44.6 Ų | 44.6 | 55% | 0.548 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -75.2 | -42 | -179.6 | -66 | 179.8 | -178.1 | 174.5 | 0 | 111.5 | D80 R84 R86 | D80-K82 PolarHBondContact O-N 3.25Å; D80-K82 WeakPolarHBondContact OD1-CA 3.2Å; D80-K82 WeakPolarHBondContact OD1-CB 3.32Å; D80-K82 PolarHBondContact OD1-N 3.35Å; K82-R84 VanDerWaalsContact C-N 3.31Å; K82-R86 WeakPolarHBondContact O-CB 2.95Å; K82-R86 VanDerWaalsContact O-CG 3.25Å; K82-R86 WeakPolarHBondContact O-CG 3.24Å; K82-R86 PolarHBondContact O-N 3.45Å |
| 83 | A | 88.5 | Confident | 87.6 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.8 | -44.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | R51 A73 L74 D80 F85 R86 R87 | R51-A83 HydrophobicContact CG-CB 4Å; A73-A83 HydrophobicContact CB-CB 3.95Å; L74-A83 HydrophobicContact CD2-CB 3.89Å; L74-A83 HydrophobicContact CG-CB 3.89Å; D80-A83 HydrophobicContact CB-CB 3.88Å; D80-A83 PolarHBondContact O-N 3.46Å; D80-A83 PolarHBondContact OD1-N 3.12Å; D80-A83 VanDerWaalsContact OD1-N 3.07Å; A83-F85 PolarHBondContact O-N 3.38Å; A83-R86 PolarHBondContact O-N 3.36Å; A83-R87 PolarHBondContact O-N 2.93Å |
| 84 | R | 91.2 | Very high | 87.1 | Confident | 35 Ų | 35 | 49.5 Ų | 49.5 | 13% | 0.132 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.2 | -44.7 | 178.5 | -161.4 | 174 | -121.8 | 113.5 | 1.5 | 112.9 | L74 P78 D80 K82 R87 A88 E103 | L74-R84 HydrophobicContact CD1-CB 4.33Å; L74-R84 HydrophobicContact CD1-CG 4.5Å; L74-R84 HydrophobicContact CD2-CB 4.05Å; P78-R84 PolarHBondContact O-NH1 3.24Å; D80-R84 WeakPolarHBondContact O-CB 3.46Å; D80-R84 PolarHBondContact O-N 3.08Å; K82-R84 VanDerWaalsContact C-N 3.31Å; R84-R87 WeakPolarHBondContact O-CB 3.23Å; R84-R87 PolarHBondContact O-N 3.2Å; R84-A88 PolarHBondContact O-N 2.92Å; R84-E103 WeakPolarHBondContact CD-OE2 3.36Å; R84-E103 HydrophobicContact CG-CB 4.34Å; R84-E103 WeakPolarHBondContact CG-OE2 3.35Å; R84-E103 IonicContact CZ-OE2 3.89Å; R84-E103 IonicContact NE-OE1 2.78Å; R84-E103 IonicContact NE-OE2 2.71Å; R84-E103 PolarHBondContact NE-OE2 3.18Å; R84-E103 IonicContact NH2-OE2 3.76Å |
| 85 | F | 91.1 | Very high | 86.6 | Confident | 34 Ų | 34 | 50.8 Ų | 50.8 | 15% | 0.149 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.5 | -38.9 | 176.8 | -173.2 | -120.3 | 0 | 0 | 0 | 112.6 | V81 A83 R87 A88 Q89 A116 F117 L120 | V81-F85 VanDerWaalsContact O-CB 3.29Å; V81-F85 WeakPolarHBondContact O-CB 3.42Å; V81-F85 PolarHBondContact O-N 3.23Å; A83-F85 PolarHBondContact O-N 3.38Å; F85-R87 VanDerWaalsContact C-N 3.32Å; F85-R87 PolarHBondContact O-N 3.1Å; F85-A88 PolarHBondContact O-N 3.41Å; F85-Q89 HydrophobicContact CE1-CG 4.33Å; F85-Q89 HydrophobicContact CZ-CG 4.33Å; F85-Q89 WeakPolarHBondContact O-CG 3.46Å; F85-Q89 PolarHBondContact O-N 3.41Å; F85-A116 HydrophobicContact CZ-CB 4.32Å; F85-F117 HydrophobicContact CB-CE1 3.95Å; F85-F117 HydrophobicContact CB-CZ 4.39Å; F85-F117 AromaticContact CD1-CE1 3.82Å; F85-F117 HydrophobicContact CD1-CE1 3.82Å; F85-F117 AromaticContact CD2-CD1 3.39Å; F85-F117 HydrophobicContact CD2-CD1 3.39Å; F85-F117 AromaticContact CD2-CE1 3.26Å; F85-F117 HydrophobicContact CD2-CE1 3.26Å; F85-F117 HydrophobicContact CD2-CZ 4.36Å; F85-F117 HydrophobicContact CE1-CD1 4.47Å; F85-F117 HydrophobicContact CE1-CE1 4.04Å; F85-F117 AromaticContact CE2-CD1 3.31Å; F85-F117 HydrophobicContact CE2-CD1 3.31Å; F85-F117 AromaticContact CE2-CE1 3.54Å; F85-F117 HydrophobicContact CE2-CE1 3.54Å; F85-F117 HydrophobicContact CG-CD1 4.05Å; F85-F117 AromaticContact CG-CE1 3.4Å; F85-F117 HydrophobicContact CG-CE1 3.4Å; F85-F117 VanDerWaalsContact CG-CE1 3.4Å; F85-F117 HydrophobicContact CG-CZ 4.29Å; F85-F117 AromaticContact CZ-CD1 3.89Å; F85-F117 HydrophobicContact CZ-CD1 3.89Å; F85-F117 AromaticContact CZ-CE1 3.92Å; F85-F117 HydrophobicContact CZ-CE1 3.92Å; F85-L120 HydrophobicContact CD2-CD2 4.22Å; F85-L120 HydrophobicContact CE2-CD2 3.47Å; F85-L120 VanDerWaalsContact CE2-CD2 3.47Å; F85-L120 HydrophobicContact CZ-CD2 4.19Å |
| 86 | R | 91.2 | Very high | 86.4 | Confident | 52 Ų | 52 | 50.6 Ų | 50.6 | 20% | 0.196 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.6 | -39.7 | 173.8 | -73.8 | 171.1 | -171.6 | 167.6 | 5.8 | 111.6 | R51 L58 K82 A83 Q89 A90 | R51-R86 VanDerWaalsContact C-NH1 3.32Å; R51-R86 PolarHBondContact O-NH1 2.68Å; L58-R86 HydrophobicContact CD1-CB 3.82Å; L58-R86 HydrophobicContact CD1-CG 3.92Å; K82-R86 WeakPolarHBondContact O-CB 2.95Å; K82-R86 VanDerWaalsContact O-CG 3.25Å; K82-R86 WeakPolarHBondContact O-CG 3.24Å; K82-R86 PolarHBondContact O-N 3.45Å; A83-R86 PolarHBondContact O-N 3.36Å; R86-Q89 PolarHBondContact O-N 2.92Å; R86-A90 WeakPolarHBondContact O-CB 3.3Å; R86-A90 PolarHBondContact O-N 2.79Å |
| 87 | R | 91.9 | Very high | 86.3 | Confident | 34 Ų | 34 | 48.7 Ų | 48.7 | 13% | 0.128 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64 | -42.5 | 173.1 | -167 | 169 | 67 | 173.1 | 1.7 | 112.1 | E67 A70 S71 A83 R84 F85 Q89 A90 Y91 E103 | E67-R87 HydrophobicContact CG-CG 4.37Å; A70-R87 HydrophobicContact CB-CB 3.76Å; A70-R87 HydrophobicContact CB-CG 4.37Å; S71-R87 WeakPolarHBondContact OG-CD 3.48Å; S71-R87 PolarHBondContact OG-NH1 3.5Å; S71-R87 VanDerWaalsContact OG-NH1 3.13Å; A83-R87 PolarHBondContact O-N 2.93Å; R84-R87 WeakPolarHBondContact O-CB 3.23Å; R84-R87 PolarHBondContact O-N 3.2Å; F85-R87 VanDerWaalsContact C-N 3.32Å; F85-R87 PolarHBondContact O-N 3.1Å; R87-Q89 PolarHBondContact O-N 3.41Å; R87-A90 WeakPolarHBondContact O-CB 3.32Å; R87-A90 PolarHBondContact O-N 2.92Å; R87-Y91 HydrophobicContact CG-CD2 4.05Å; R87-Y91 HydrophobicContact CG-CE2 3.57Å; R87-Y91 PolarHBondContact O-N 3.47Å; R87-E103 IonicContact CZ-OE2 3.51Å; R87-E103 IonicContact NE-OE2 2.79Å; R87-E103 IonicContact NH2-OE1 3.75Å; R87-E103 IonicContact NH2-OE2 3.91Å; R87-E103 PolarHBondContact NH2-OE2 3.1Å |
| 88 | A | 90.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R84 F85 Y91 Q92 A100 E103 T104 | R84-A88 PolarHBondContact O-N 2.92Å; F85-A88 PolarHBondContact O-N 3.41Å; A88-Y91 PolarHBondContact O-N 2.89Å; A88-Q92 PolarHBondContact O-N 3.24Å; A88-A100 WeakPolarHBondContact O-CB 3.46Å; A88-E103 HydrophobicContact CB-CB 4Å; A88-T104 WeakPolarHBondContact CB-OG1 3.48Å |
| 89 | Q | 90.4 | Very high | 86.3 | Confident | 67 Ų | 67 | 50.2 Ų | 50.2 | 31% | 0.313 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.1 | -41 | 173.1 | -72 | -178.4 | -25.2 | 0 | 0 | 112 | L58 F85 R86 R87 Q92 K93 | L58-Q89 HydrophobicContact CD1-CB 4.3Å; L58-Q89 HydrophobicContact CD2-CB 4.4Å; F85-Q89 HydrophobicContact CE1-CG 4.33Å; F85-Q89 HydrophobicContact CZ-CG 4.33Å; F85-Q89 WeakPolarHBondContact O-CG 3.46Å; F85-Q89 PolarHBondContact O-N 3.41Å; R86-Q89 PolarHBondContact O-N 2.92Å; R87-Q89 PolarHBondContact O-N 3.41Å; Q89-Q92 PolarHBondContact O-N 3.22Å; Q89-K93 WeakPolarHBondContact O-CG 3.27Å; Q89-K93 PolarHBondContact O-N 2.97Å |
| 90 | A | 89.3 | Confident | 86.6 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.2 | -46.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | L58 A66 E67 R86 R87 Q92 K93 L94 | L58-A90 HydrophobicContact CD2-CB 3.91Å; A66-A90 HydrophobicContact CB-CB 4.26Å; E67-A90 HydrophobicContact CB-CB 4.04Å; R86-A90 WeakPolarHBondContact O-CB 3.3Å; R86-A90 PolarHBondContact O-N 2.79Å; R87-A90 WeakPolarHBondContact O-CB 3.32Å; R87-A90 PolarHBondContact O-N 2.92Å; A90-Q92 PolarHBondContact O-N 3.08Å; A90-K93 PolarHBondContact O-N 2.95Å; A90-L94 WeakPolarHBondContact O-CB 3.39Å; A90-L94 WeakPolarHBondContact O-CG 3.39Å; A90-L94 PolarHBondContact O-N 2.88Å |
| 91 | Y | 86.9 | Confident | 86.7 | Confident | 20 Ų | 20 | 50 Ų | 50 | 8% | 0.078 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.1 | -39.8 | 176.7 | -73.8 | -34.1 | 0 | 0 | 0 | 113.3 | E67 R87 A88 K93 L94 G95 R96 Q99 E103 | E67-Y91 HydrophobicContact CG-CD1 3.96Å; E67-Y91 HydrophobicContact CG-CE1 3.3Å; E67-Y91 PolarHBondContact OE1-OH 2.99Å; R87-Y91 HydrophobicContact CG-CD2 4.05Å; R87-Y91 HydrophobicContact CG-CE2 3.57Å; R87-Y91 PolarHBondContact O-N 3.47Å; A88-Y91 PolarHBondContact O-N 2.89Å; Y91-K93 VanDerWaalsContact C-N 3.34Å; Y91-K93 PolarHBondContact O-N 3.22Å; Y91-L94 CarbonylContact O-C 3.57Å; Y91-L94 PolarHBondContact O-N 3.17Å; Y91-G95 PolarHBondContact O-N 3.46Å; Y91-G95 VanDerWaalsContact O-N 3.1Å; Y91-R96 HydrophobicContact CD1-CB 4.24Å; Y91-R96 HydrophobicContact CG-CB 4.45Å; Y91-R96 PolarHBondContact O-N 2.87Å; Y91-Q99 HydrophobicContact CD2-CB 3.78Å; Y91-Q99 HydrophobicContact CE2-CB 4.05Å; Y91-Q99 HydrophobicContact CG-CB 4.13Å; Y91-E103 HydrophobicContact CE2-CG 4.39Å |
| 92 | Q | 87 | Confident | 86.7 | Confident | 34 Ų | 34 | 53.3 Ų | 53.3 | 16% | 0.159 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.3 | -47.4 | 173.8 | -177.3 | -173.4 | 27.2 | 0 | 0 | 110.8 | A88 Q89 A90 L94 G95 A100 L120 L124 | A88-Q92 PolarHBondContact O-N 3.24Å; Q89-Q92 PolarHBondContact O-N 3.22Å; A90-Q92 PolarHBondContact O-N 3.08Å; Q92-L94 VanDerWaalsContact C-N 3.3Å; Q92-L94 PolarHBondContact O-N 3.37Å; Q92-G95 PolarHBondContact O-N 3.38Å; Q92-G95 VanDerWaalsContact O-N 3.13Å; Q92-A100 HydrophobicContact CB-CB 4.28Å; Q92-L120 VanDerWaalsContact CD-CD1 3.46Å; Q92-L124 HydrophobicContact CB-CD2 4.11Å; Q92-L124 HydrophobicContact CG-CD2 3.79Å |
| 93 | K | 84.8 | Confident | 86.6 | Confident | 127 Ų | 127 | 47.9 Ų | 47.9 | 55% | 0.552 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -70.9 | -25.3 | 179.6 | -66.5 | -66.8 | -177.9 | 176.7 | 0 | 113.4 | Y63 Q89 A90 Y91 G95 | Y63-K93 HydrophobicContact CD1-CB 3.64Å; Y63-K93 HydrophobicContact CD1-CG 4.06Å; Y63-K93 HydrophobicContact CD2-CB 3.73Å; Y63-K93 HydrophobicContact CE1-CB 3.74Å; Y63-K93 HydrophobicContact CE1-CD 4.34Å; Y63-K93 HydrophobicContact CE1-CG 3.77Å; Y63-K93 HydrophobicContact CE2-CB 3.81Å; Y63-K93 HydrophobicContact CE2-CG 4.45Å; Y63-K93 HydrophobicContact CG-CB 3.64Å; Q89-K93 WeakPolarHBondContact O-CG 3.27Å; Q89-K93 PolarHBondContact O-N 2.97Å; A90-K93 PolarHBondContact O-N 2.95Å; Y91-K93 VanDerWaalsContact C-N 3.34Å; Y91-K93 PolarHBondContact O-N 3.22Å; K93-G95 VanDerWaalsContact C-N 3.29Å |
| 94 | L | 78.1 | Confident | 86.6 | Confident | 64 Ų | 64 | 47.9 Ų | 47.9 | 34% | 0.335 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 1.7 | 171.3 | -68.7 | 169.1 | 0 | 0 | 0 | 113.3 | E67 A90 Y91 Q92 R96 | E67-L94 HydrophobicContact CB-CD1 4.16Å; E67-L94 HydrophobicContact CG-CD1 4.43Å; A90-L94 WeakPolarHBondContact O-CB 3.39Å; A90-L94 WeakPolarHBondContact O-CG 3.39Å; A90-L94 PolarHBondContact O-N 2.88Å; Y91-L94 CarbonylContact O-C 3.57Å; Y91-L94 PolarHBondContact O-N 3.17Å; Q92-L94 VanDerWaalsContact C-N 3.3Å; Q92-L94 PolarHBondContact O-N 3.37Å; L94-R96 HydrophobicContact CB-CG 4.49Å; L94-R96 PolarHBondContact O-N 3.28Å |
| 95 | G | 77.3 | Confident | 86.4 | Confident | 36 Ų | 36 | 49.9 Ų | 49.9 | 37% | 0.371 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | 6.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y91 Q92 K93 L97 | Y91-G95 PolarHBondContact O-N 3.46Å; Y91-G95 VanDerWaalsContact O-N 3.1Å; Q92-G95 PolarHBondContact O-N 3.38Å; Q92-G95 VanDerWaalsContact O-N 3.13Å; K93-G95 VanDerWaalsContact C-N 3.29Å; G95-L97 VanDerWaalsContact C-N 3.28Å; G95-L97 PolarHBondContact O-N 3.2Å; G95-L97 VanDerWaalsContact O-N 3.08Å |
| 96 | R | 81.7 | Confident | 86.2 | Confident | 125 Ų | 125 | 53.8 Ų | 53.8 | 47% | 0.472 | 25% | 0.252 | S | S | . | . | trans | -85.6 | 66.2 | 177.2 | -59.4 | -170.4 | -172.4 | 177 | -0.8 | 110.8 | Y91 L94 D98 Q99 A100 | Y91-R96 HydrophobicContact CD1-CB 4.24Å; Y91-R96 HydrophobicContact CG-CB 4.45Å; Y91-R96 PolarHBondContact O-N 2.87Å; L94-R96 HydrophobicContact CB-CG 4.49Å; L94-R96 PolarHBondContact O-N 3.28Å; R96-D98 PolarHBondContact O-N 3.49Å; R96-Q99 HydrophobicContact CB-CB 4.41Å; R96-Q99 PolarHBondContact O-N 3.48Å; R96-A100 WeakPolarHBondContact O-CB 3.47Å; R96-A100 PolarHBondContact O-N 3.44Å | ||
| 97 | L | 83.8 | Confident | 86 | Confident | 18 Ų | 18 | 51.3 Ų | 51.3 | 9% | 0.094 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.5 | -37.4 | -169.7 | -57.8 | 177.7 | 0 | 0 | 0 | 113.6 | G95 A100 F101 L124 Q127 I128 K131 | G95-L97 VanDerWaalsContact C-N 3.28Å; G95-L97 PolarHBondContact O-N 3.2Å; G95-L97 VanDerWaalsContact O-N 3.08Å; L97-A100 PolarHBondContact O-N 3.21Å; L97-F101 WeakPolarHBondContact O-CB 3.39Å; L97-F101 PolarHBondContact O-N 3.19Å; L97-L124 HydrophobicContact CD2-CD2 3.76Å; L97-Q127 HydrophobicContact CD1-CB 3.8Å; L97-Q127 HydrophobicContact CD2-CB 4.48Å; L97-I128 HydrophobicContact CB-CD1 4.18Å; L97-I128 HydrophobicContact CB-CG1 3.66Å; L97-I128 HydrophobicContact CD1-CG1 4.26Å; L97-K131 HydrophobicContact CD1-CD 4.1Å |
| 98 | D | 80.7 | Confident | 85.7 | Confident | 111 Ų | 111 | 50.6 Ų | 50.6 | 59% | 0.594 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -65.8 | -44.2 | -179.1 | -55.6 | -39.6 | 0 | 0 | 0 | 111.5 | R96 F101 L102 | R96-D98 PolarHBondContact O-N 3.49Å; D98-F101 PolarHBondContact O-N 3.19Å; D98-L102 WeakPolarHBondContact O-CG 3.39Å; D98-L102 PolarHBondContact O-N 3.14Å |
| 99 | Q | 84.5 | Confident | 85.5 | Confident | 83 Ų | 83 | 56.9 Ų | 56.9 | 39% | 0.388 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.3 | -42 | 175.6 | -66 | -177.9 | -19.1 | 0 | 0 | 111 | Y91 R96 F101 L102 E103 | Y91-Q99 HydrophobicContact CD2-CB 3.78Å; Y91-Q99 HydrophobicContact CE2-CB 4.05Å; Y91-Q99 HydrophobicContact CG-CB 4.13Å; R96-Q99 HydrophobicContact CB-CB 4.41Å; R96-Q99 PolarHBondContact O-N 3.48Å; Q99-F101 VanDerWaalsContact C-N 3.28Å; Q99-F101 PolarHBondContact O-N 3.26Å; Q99-L102 PolarHBondContact O-N 3.43Å; Q99-E103 WeakPolarHBondContact O-CB 3.38Å; Q99-E103 WeakPolarHBondContact O-CG 3.21Å; Q99-E103 PolarHBondContact O-N 2.92Å |
| 100 | A | 87.6 | Confident | 85.1 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.9 | -40.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A88 Q92 R96 L97 T104 L124 | A88-A100 WeakPolarHBondContact O-CB 3.46Å; Q92-A100 HydrophobicContact CB-CB 4.28Å; R96-A100 WeakPolarHBondContact O-CB 3.47Å; R96-A100 PolarHBondContact O-N 3.44Å; L97-A100 PolarHBondContact O-N 3.21Å; A100-T104 VanDerWaalsContact O-CB 3.29Å; A100-T104 WeakPolarHBondContact O-CB 3.47Å; A100-T104 PolarHBondContact O-N 3.44Å; A100-T104 PolarHBondContact O-OG1 2.64Å; A100-L124 HydrophobicContact CB-CD1 3.82Å; A100-L124 HydrophobicContact CB-CD2 3.88Å |
| 101 | F | 87.9 | Confident | 84.9 | Confident | 62 Ų | 62 | 62.2 Ų | 62.2 | 27% | 0.272 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.5 | -48.7 | 179.8 | -172.8 | -87.8 | 0 | 0 | 0 | 111.2 | L97 D98 Q99 E103 T104 Q105 L121 L124 I128 | L97-F101 WeakPolarHBondContact O-CB 3.39Å; L97-F101 PolarHBondContact O-N 3.19Å; D98-F101 PolarHBondContact O-N 3.19Å; Q99-F101 VanDerWaalsContact C-N 3.28Å; Q99-F101 PolarHBondContact O-N 3.26Å; F101-E103 PolarHBondContact O-N 2.95Å; F101-T104 PolarHBondContact O-N 3.43Å; F101-Q105 WeakPolarHBondContact O-CB 3.37Å; F101-Q105 PolarHBondContact O-N 3.44Å; F101-L121 HydrophobicContact CD1-CD2 4.45Å; F101-L121 HydrophobicContact CD2-CD2 3.7Å; F101-L121 HydrophobicContact CE1-CD2 4.38Å; F101-L121 HydrophobicContact CE2-CD2 3.62Å; F101-L121 HydrophobicContact CG-CD2 4.13Å; F101-L121 HydrophobicContact CZ-CD2 3.98Å; F101-L124 HydrophobicContact CB-CD1 4.45Å; F101-L124 HydrophobicContact CD2-CB 4Å; F101-I128 HydrophobicContact CB-CD1 3.87Å; F101-I128 HydrophobicContact CD2-CD1 4.1Å; F101-I128 HydrophobicContact CG-CD1 4.12Å |
| 102 | L | 87.4 | Confident | 84.5 | Confident | 92 Ų | 92 | 65.2 Ų | 65.2 | 48% | 0.482 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.2 | -45 | 177.5 | -72.2 | 168.7 | 0 | 0 | 0 | 112.2 | D98 Q99 Q105 R106 | D98-L102 WeakPolarHBondContact O-CG 3.39Å; D98-L102 PolarHBondContact O-N 3.14Å; Q99-L102 PolarHBondContact O-N 3.43Å; L102-Q105 PolarHBondContact O-N 3.38Å; L102-R106 WeakPolarHBondContact O-CG 3.33Å; L102-R106 PolarHBondContact O-N 3.31Å |
| 103 | E | 86.9 | Confident | 84.3 | Confident | 12 Ų | 12 | 73.2 Ų | 73.2 | 6% | 0.056 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -69.9 | -39.5 | 179.9 | -68.8 | -63.1 | 119.3 | 0 | 0 | 111.8 | R84 R87 A88 Y91 Q99 F101 Q105 R106 C107 | R84-E103 WeakPolarHBondContact CD-OE2 3.36Å; R84-E103 HydrophobicContact CG-CB 4.34Å; R84-E103 WeakPolarHBondContact CG-OE2 3.35Å; R84-E103 IonicContact CZ-OE2 3.89Å; R84-E103 IonicContact NE-OE1 2.78Å; R84-E103 IonicContact NE-OE2 2.71Å; R84-E103 PolarHBondContact NE-OE2 3.18Å; R84-E103 IonicContact NH2-OE2 3.76Å; R87-E103 IonicContact CZ-OE2 3.51Å; R87-E103 IonicContact NE-OE2 2.79Å; R87-E103 IonicContact NH2-OE1 3.75Å; R87-E103 IonicContact NH2-OE2 3.91Å; R87-E103 PolarHBondContact NH2-OE2 3.1Å; A88-E103 HydrophobicContact CB-CB 4Å; Y91-E103 HydrophobicContact CE2-CG 4.39Å; Q99-E103 WeakPolarHBondContact O-CB 3.38Å; Q99-E103 WeakPolarHBondContact O-CG 3.21Å; Q99-E103 PolarHBondContact O-N 2.92Å; F101-E103 PolarHBondContact O-N 2.95Å; E103-Q105 VanDerWaalsContact C-N 3.33Å; E103-R106 PolarHBondContact O-N 3.48Å; E103-R106 IonicContact OE1-CZ 2.69Å; E103-R106 IonicContact OE1-NH1 3.5Å; E103-R106 PolarHBondContact OE1-NH1 3.39Å; E103-C107 PolarHBondContact O-N 3.39Å; E103-C107 PolarHBondContact O-SG 3.01Å |
| 104 | T | 87.9 | Confident | 84.3 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.6 | -34.8 | 174.3 | -49.5 | 0 | 0 | 0 | 0 | 111.5 | A88 A100 F101 C107 A108 F117 L120 L121 | A88-T104 WeakPolarHBondContact CB-OG1 3.48Å; A100-T104 VanDerWaalsContact O-CB 3.29Å; A100-T104 WeakPolarHBondContact O-CB 3.47Å; A100-T104 PolarHBondContact O-N 3.44Å; A100-T104 PolarHBondContact O-OG1 2.64Å; F101-T104 PolarHBondContact O-N 3.43Å; T104-C107 WeakPolarHBondContact O-CB 3.18Å; T104-C107 PolarHBondContact O-N 3Å; T104-A108 WeakPolarHBondContact O-CB 3.34Å; T104-A108 PolarHBondContact O-N 2.85Å; T104-F117 HydrophobicContact CG2-CB 4.29Å; T104-F117 WeakPolarHBondContact CG2-O 3.09Å; T104-L120 HydrophobicContact CG2-CB 4.02Å; T104-L120 HydrophobicContact CG2-CD2 3.85Å; T104-L120 HydrophobicContact CG2-CG 4Å; T104-L120 WeakPolarHBondContact OG1-CD2 3.2Å; T104-L121 HydrophobicContact CG2-CD1 4.44Å; T104-L121 HydrophobicContact CG2-CD2 4.1Å; T104-L121 HydrophobicContact CG2-CG 3.72Å |
| 105 | Q | 88.5 | Confident | 84.7 | Confident | 76 Ų | 76 | 76.2 Ų | 76.2 | 36% | 0.355 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 175.9 | -174.8 | -177.2 | 36.6 | 0 | 0 | 110.7 | F101 L102 E103 A108 Q109 L121 | F101-Q105 WeakPolarHBondContact O-CB 3.37Å; F101-Q105 PolarHBondContact O-N 3.44Å; L102-Q105 PolarHBondContact O-N 3.38Å; E103-Q105 VanDerWaalsContact C-N 3.33Å; Q105-A108 PolarHBondContact O-N 2.85Å; Q105-Q109 WeakPolarHBondContact O-CG 3.35Å; Q105-Q109 PolarHBondContact O-N 3.45Å; Q105-L121 HydrophobicContact CB-CD2 4.16Å |
| 106 | R | 86 | Confident | 85 | Confident | 117 Ų | 117 | 76.7 Ų | 76.7 | 44% | 0.442 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 172 | -72.7 | 172.2 | 176.5 | 173.1 | -5.5 | 111.7 | L102 E103 A108 Q109 L110 | L102-R106 WeakPolarHBondContact O-CG 3.33Å; L102-R106 PolarHBondContact O-N 3.31Å; E103-R106 PolarHBondContact O-N 3.48Å; E103-R106 IonicContact OE1-CZ 2.69Å; E103-R106 IonicContact OE1-NH1 3.5Å; E103-R106 PolarHBondContact OE1-NH1 3.39Å; R106-A108 VanDerWaalsContact C-N 3.33Å; R106-A108 PolarHBondContact O-N 3.33Å; R106-Q109 PolarHBondContact O-N 3.29Å; R106-L110 WeakPolarHBondContact O-CG 3.47Å; R106-L110 PolarHBondContact O-N 3.29Å; R106-L110 VanDerWaalsContact O-N 3.09Å |
| 107 | C | 86.9 | Confident | 85.2 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.2 | -41.8 | 173.6 | -66 | 0 | 0 | 0 | 0 | 112.2 | V81 E103 T104 Q109 L110 E111 F117 | V81-C107 HydrophobicContact CG1-CB 4.2Å; E103-C107 PolarHBondContact O-N 3.39Å; E103-C107 PolarHBondContact O-SG 3.01Å; T104-C107 WeakPolarHBondContact O-CB 3.18Å; T104-C107 PolarHBondContact O-N 3Å; C107-Q109 VanDerWaalsContact C-N 3.34Å; C107-L110 PolarHBondContact O-N 3.19Å; C107-E111 PolarHBondContact O-N 2.94Å; C107-F117 HydrophobicContact CB-CD1 4.4Å; C107-F117 HydrophobicContact CB-CD2 3.82Å; C107-F117 HydrophobicContact CB-CE1 4.44Å; C107-F117 HydrophobicContact CB-CE2 3.82Å; C107-F117 HydrophobicContact CB-CG 4.12Å; C107-F117 HydrophobicContact CB-CZ 4.15Å |
| 108 | A | 86.3 | Confident | 85.3 | Confident | 19 Ų | 19 | 74.6 Ų | 74.6 | 16% | 0.157 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -69.5 | -29.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | T104 Q105 R106 E111 P112 F117 L121 | T104-A108 WeakPolarHBondContact O-CB 3.34Å; T104-A108 PolarHBondContact O-N 2.85Å; Q105-A108 PolarHBondContact O-N 2.85Å; R106-A108 VanDerWaalsContact C-N 3.33Å; R106-A108 PolarHBondContact O-N 3.33Å; A108-E111 CarbonylContact O-C 3.52Å; A108-P112 WeakPolarHBondContact O-CA 3.49Å; A108-F117 HydrophobicContact CB-CB 4.16Å; A108-L121 HydrophobicContact CB-CD1 3.69Å |
| 109 | Q | 85.4 | Confident | 85.5 | Confident | 132 Ų | 132 | 72.6 Ų | 72.6 | 62% | 0.617 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -68.8 | -38.1 | 171.5 | -73.8 | 171 | -2.3 | 0 | 0 | 111.7 | Q105 R106 C107 | Q105-Q109 WeakPolarHBondContact O-CG 3.35Å; Q105-Q109 PolarHBondContact O-N 3.45Å; R106-Q109 PolarHBondContact O-N 3.29Å; C107-Q109 VanDerWaalsContact C-N 3.34Å |
| 110 | L | 82.8 | Confident | 85.6 | Confident | 99 Ų | 99 | 69.1 Ų | 69.1 | 52% | 0.518 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -76.2 | -38.5 | 178.7 | -66.3 | 170.9 | 0 | 0 | 0 | 112.4 | V81 R106 C107 | V81-L110 HydrophobicContact CG2-CB 4.06Å; V81-L110 HydrophobicContact CG2-CD1 3.87Å; R106-L110 WeakPolarHBondContact O-CG 3.47Å; R106-L110 PolarHBondContact O-N 3.29Å; R106-L110 VanDerWaalsContact O-N 3.09Å; C107-L110 PolarHBondContact O-N 3.19Å |
| 111 | E | 85.4 | Confident | 85.6 | Confident | 80 Ų | 80 | 70.6 Ų | 70.6 | 37% | 0.374 | 34% | 0.341 | S | S | . | . | trans | -128 | 80.6 | 176.8 | -61.2 | -177.7 | 178.6 | 0 | 0 | 112.2 | V81 C107 A108 K113 N114 F117 | V81-E111 HydrophobicContact CG1-CG 4.33Å; C107-E111 PolarHBondContact O-N 2.94Å; A108-E111 CarbonylContact O-C 3.52Å; E111-K113 PolarHBondContact O-N 3.41Å; E111-K113 VanDerWaalsContact O-N 3.13Å; E111-N114 HydrophobicContact CB-CB 4.2Å; E111-N114 PolarHBondContact O-N 3.09Å; E111-N114 PolarHBondContact OE2-ND2 2.89Å; E111-N114 VanDerWaalsContact OE2-ND2 3.08Å; E111-F117 HydrophobicContact CB-CD2 4.28Å; E111-F117 HydrophobicContact CB-CE2 3.89Å; E111-F117 HydrophobicContact CG-CE2 4.38Å; E111-F117 WeakPolarHBondContact OE2-CE2 3.39Å | ||
| 112 | P | 78.6 | Confident | 85.6 | Confident | 83 Ų | 83 | 75.6 Ų | 75.6 | 54% | 0.539 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -22.3 | -172.7 | -22.8 | 33.2 | 0 | 0 | 0 | 115.1 | A108 Q118 | A108-P112 WeakPolarHBondContact O-CA 3.49Å; P112-Q118 PolarHBondContact O-NE2 3.25Å |
| 113 | K | 81.5 | Confident | 85.5 | Confident | 202 Ų | 202 | 76.2 Ų | 76.2 | 88% | 0.878 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -6.2 | -176.8 | -66.9 | -175.7 | 179 | 179.4 | 0 | 113.8 | E111 R115 | E111-K113 PolarHBondContact O-N 3.41Å; E111-K113 VanDerWaalsContact O-N 3.13Å; K113-R115 PolarHBondContact O-N 3.06Å |
| 114 | N | 86 | Confident | 85.5 | Confident | 53 Ų | 53 | 75.6 Ų | 75.6 | 28% | 0.283 | 36% | 0.355 | S | S | . | . | trans | -80.1 | 108.1 | -176.1 | -165.5 | -24.7 | 0 | 0 | 0 | 111 | E111 A116 F117 | E111-N114 HydrophobicContact CB-CB 4.2Å; E111-N114 PolarHBondContact O-N 3.09Å; E111-N114 PolarHBondContact OE2-ND2 2.89Å; E111-N114 VanDerWaalsContact OE2-ND2 3.08Å; N114-A116 PolarHBondContact O-N 3.26Å; N114-A116 WeakPolarHBondContact OD1-CB 3.29Å; N114-A116 PolarHBondContact OD1-N 2.76Å; N114-F117 HydrophobicContact CB-CD2 3.68Å; N114-F117 HydrophobicContact CB-CE2 3.89Å; N114-F117 HydrophobicContact CB-CG 4.17Å; N114-F117 WeakPolarHBondContact ND2-CZ 3.44Å; N114-F117 PolarHBondContact O-N 3.46Å | ||
| 115 | R | 85.2 | Confident | 85.4 | Confident | 200 Ų | 200 | 76.9 Ų | 76.9 | 76% | 0.755 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -58.2 | -34.3 | -178.6 | -73.1 | -175.7 | 177.6 | 173.9 | -1 | 112.8 | K113 F117 Q118 D119 | K113-R115 PolarHBondContact O-N 3.06Å; R115-F117 VanDerWaalsContact C-N 3.26Å; R115-F117 PolarHBondContact O-N 3.05Å; R115-Q118 PolarHBondContact O-N 2.72Å; R115-D119 PolarHBondContact O-N 3.32Å |
| 116 | A | 83.6 | Confident | 85.2 | Confident | 46 Ų | 46 | 76 Ų | 76 | 38% | 0.38 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.7 | -33.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F85 N114 L120 | F85-A116 HydrophobicContact CZ-CB 4.32Å; N114-A116 PolarHBondContact O-N 3.26Å; N114-A116 WeakPolarHBondContact OD1-CB 3.29Å; N114-A116 PolarHBondContact OD1-N 2.76Å; A116-L120 VanDerWaalsContact O-CB 3.31Å; A116-L120 WeakPolarHBondContact O-CB 3.49Å; A116-L120 PolarHBondContact O-N 2.71Å; A116-L120 VanDerWaalsContact O-N 3.12Å |
| 117 | F | 86.4 | Confident | 85 | Confident | 7 Ų | 7 | 74 Ų | 74 | 3% | 0.031 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -75.4 | -39.1 | 178.6 | -57.2 | -18.5 | 0 | 0 | 0 | 111.3 | V81 F85 T104 C107 A108 E111 N114 R115 L120 L121 | V81-F117 HydrophobicContact CG1-CE2 3.76Å; V81-F117 HydrophobicContact CG1-CZ 3.74Å; F85-F117 HydrophobicContact CB-CE1 3.95Å; F85-F117 HydrophobicContact CB-CZ 4.39Å; F85-F117 AromaticContact CD1-CE1 3.82Å; F85-F117 HydrophobicContact CD1-CE1 3.82Å; F85-F117 AromaticContact CD2-CD1 3.39Å; F85-F117 HydrophobicContact CD2-CD1 3.39Å; F85-F117 AromaticContact CD2-CE1 3.26Å; F85-F117 HydrophobicContact CD2-CE1 3.26Å; F85-F117 HydrophobicContact CD2-CZ 4.36Å; F85-F117 HydrophobicContact CE1-CD1 4.47Å; F85-F117 HydrophobicContact CE1-CE1 4.04Å; F85-F117 AromaticContact CE2-CD1 3.31Å; F85-F117 HydrophobicContact CE2-CD1 3.31Å; F85-F117 AromaticContact CE2-CE1 3.54Å; F85-F117 HydrophobicContact CE2-CE1 3.54Å; F85-F117 HydrophobicContact CG-CD1 4.05Å; F85-F117 AromaticContact CG-CE1 3.4Å; F85-F117 HydrophobicContact CG-CE1 3.4Å; F85-F117 VanDerWaalsContact CG-CE1 3.4Å; F85-F117 HydrophobicContact CG-CZ 4.29Å; F85-F117 AromaticContact CZ-CD1 3.89Å; F85-F117 HydrophobicContact CZ-CD1 3.89Å; F85-F117 AromaticContact CZ-CE1 3.92Å; F85-F117 HydrophobicContact CZ-CE1 3.92Å; T104-F117 HydrophobicContact CG2-CB 4.29Å; T104-F117 WeakPolarHBondContact CG2-O 3.09Å; C107-F117 HydrophobicContact CB-CD1 4.4Å; C107-F117 HydrophobicContact CB-CD2 3.82Å; C107-F117 HydrophobicContact CB-CE1 4.44Å; C107-F117 HydrophobicContact CB-CE2 3.82Å; C107-F117 HydrophobicContact CB-CG 4.12Å; C107-F117 HydrophobicContact CB-CZ 4.15Å; A108-F117 HydrophobicContact CB-CB 4.16Å; E111-F117 HydrophobicContact CB-CD2 4.28Å; E111-F117 HydrophobicContact CB-CE2 3.89Å; E111-F117 HydrophobicContact CG-CE2 4.38Å; E111-F117 WeakPolarHBondContact OE2-CE2 3.39Å; N114-F117 HydrophobicContact CB-CD2 3.68Å; N114-F117 HydrophobicContact CB-CE2 3.89Å; N114-F117 HydrophobicContact CB-CG 4.17Å; N114-F117 WeakPolarHBondContact ND2-CZ 3.44Å; N114-F117 PolarHBondContact O-N 3.46Å; R115-F117 VanDerWaalsContact C-N 3.26Å; R115-F117 PolarHBondContact O-N 3.05Å; F117-L120 PolarHBondContact O-N 3.48Å; F117-L121 WeakPolarHBondContact O-CB 3.24Å; F117-L121 WeakPolarHBondContact O-CG 3.46Å; F117-L121 PolarHBondContact O-N 3.31Å |
| 118 | Q | 85 | Confident | 84.8 | Confident | 92 Ų | 92 | 76.1 Ų | 76.1 | 43% | 0.43 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67.1 | -42.2 | 177.6 | -62.3 | -177.6 | -0.9 | 0 | 0 | 111.9 | P112 R115 L121 R122 | P112-Q118 PolarHBondContact O-NE2 3.25Å; R115-Q118 PolarHBondContact O-N 2.72Å; Q118-L121 PolarHBondContact O-N 3.03Å; Q118-R122 PolarHBondContact O-N 2.9Å |
| 119 | D | 86.2 | Confident | 84.5 | Confident | 69 Ų | 69 | 82.2 Ų | 82.2 | 37% | 0.369 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -67 | -40.8 | 177 | -71.1 | -31.1 | 0 | 0 | 0 | 111.2 | R115 R122 Q123 | R115-D119 PolarHBondContact O-N 3.32Å; D119-R122 PolarHBondContact O-N 2.94Å; D119-R122 IonicContact OD1-CZ 2.76Å; D119-R122 IonicContact OD1-NH1 2.84Å; D119-R122 PolarHBondContact OD1-NH1 2.82Å; D119-Q123 WeakPolarHBondContact O-CB 3.47Å; D119-Q123 VanDerWaalsContact O-CG 3.3Å; D119-Q123 WeakPolarHBondContact O-CG 3.23Å; D119-Q123 PolarHBondContact O-N 3.2Å |
| 120 | L | 86.3 | Confident | 84.2 | Confident | 10 Ų | 10 | 82.4 Ų | 82.4 | 5% | 0.052 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 174.8 | -177.1 | 59.7 | 0 | 0 | 0 | 111.9 | F85 Q92 T104 A116 F117 R122 Q123 L124 | F85-L120 HydrophobicContact CD2-CD2 4.22Å; F85-L120 HydrophobicContact CE2-CD2 3.47Å; F85-L120 VanDerWaalsContact CE2-CD2 3.47Å; F85-L120 HydrophobicContact CZ-CD2 4.19Å; Q92-L120 VanDerWaalsContact CD-CD1 3.46Å; T104-L120 HydrophobicContact CG2-CB 4.02Å; T104-L120 HydrophobicContact CG2-CD2 3.85Å; T104-L120 HydrophobicContact CG2-CG 4Å; T104-L120 WeakPolarHBondContact OG1-CD2 3.2Å; A116-L120 VanDerWaalsContact O-CB 3.31Å; A116-L120 WeakPolarHBondContact O-CB 3.49Å; A116-L120 PolarHBondContact O-N 2.71Å; A116-L120 VanDerWaalsContact O-N 3.12Å; F117-L120 PolarHBondContact O-N 3.48Å; L120-R122 PolarHBondContact O-N 3.48Å; L120-Q123 PolarHBondContact O-N 3.4Å; L120-L124 HydrophobicContact CD1-CD1 4.11Å; L120-L124 HydrophobicContact CD1-CG 4.03Å; L120-L124 HydrophobicContact CD2-CD1 4.45Å; L120-L124 HydrophobicContact CG-CD1 3.83Å; L120-L124 HydrophobicContact CG-CG 4.23Å; L120-L124 VanDerWaalsContact O-CB 3.32Å; L120-L124 WeakPolarHBondContact O-CB 3.38Å; L120-L124 VanDerWaalsContact O-CG 3.22Å; L120-L124 WeakPolarHBondContact O-CG 3.39Å; L120-L124 PolarHBondContact O-N 2.96Å |
| 121 | L | 87.8 | Confident | 83.7 | Confident | 31 Ų | 31 | 82 Ų | 82 | 16% | 0.162 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 174.4 | -78.6 | 168.6 | 0 | 0 | 0 | 112.6 | F101 T104 Q105 A108 F117 Q118 G125 | F101-L121 HydrophobicContact CD1-CD2 4.45Å; F101-L121 HydrophobicContact CD2-CD2 3.7Å; F101-L121 HydrophobicContact CE1-CD2 4.38Å; F101-L121 HydrophobicContact CE2-CD2 3.62Å; F101-L121 HydrophobicContact CG-CD2 4.13Å; F101-L121 HydrophobicContact CZ-CD2 3.98Å; T104-L121 HydrophobicContact CG2-CD1 4.44Å; T104-L121 HydrophobicContact CG2-CD2 4.1Å; T104-L121 HydrophobicContact CG2-CG 3.72Å; Q105-L121 HydrophobicContact CB-CD2 4.16Å; A108-L121 HydrophobicContact CB-CD1 3.69Å; F117-L121 WeakPolarHBondContact O-CB 3.24Å; F117-L121 WeakPolarHBondContact O-CG 3.46Å; F117-L121 PolarHBondContact O-N 3.31Å; Q118-L121 PolarHBondContact O-N 3.03Å; L121-G125 PolarHBondContact O-N 3.15Å |
| 122 | R | 86.9 | Confident | 82.9 | Confident | 167 Ų | 167 | 80.7 Ų | 80.7 | 63% | 0.63 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -64.8 | -43.8 | 176.3 | -167.5 | -173 | -61.9 | 126.8 | 4.5 | 111.1 | Q118 D119 L120 A126 | Q118-R122 PolarHBondContact O-N 2.9Å; D119-R122 PolarHBondContact O-N 2.94Å; D119-R122 IonicContact OD1-CZ 2.76Å; D119-R122 IonicContact OD1-NH1 2.84Å; D119-R122 PolarHBondContact OD1-NH1 2.82Å; L120-R122 PolarHBondContact O-N 3.48Å; R122-A126 WeakPolarHBondContact O-CB 3.31Å; R122-A126 PolarHBondContact O-N 3.29Å |
| 123 | Q | 85.9 | Confident | 82.6 | Confident | 105 Ų | 105 | 79.8 Ų | 79.8 | 49% | 0.491 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.1 | -47.9 | 176.1 | -72.7 | 175.6 | 6.2 | 0 | 0 | 111.8 | D119 L120 A126 Q127 | D119-Q123 WeakPolarHBondContact O-CB 3.47Å; D119-Q123 VanDerWaalsContact O-CG 3.3Å; D119-Q123 WeakPolarHBondContact O-CG 3.23Å; D119-Q123 PolarHBondContact O-N 3.2Å; L120-Q123 PolarHBondContact O-N 3.4Å; Q123-A126 PolarHBondContact O-N 3.42Å; Q123-Q127 WeakPolarHBondContact O-CB 3.3Å; Q123-Q127 VanDerWaalsContact O-CG 3.25Å; Q123-Q127 WeakPolarHBondContact O-CG 3.48Å; Q123-Q127 PolarHBondContact O-N 3.46Å |
| 124 | L | 87 | Confident | 82 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 177.7 | -72.6 | 172.4 | 0 | 0 | 0 | 111.4 | Q92 L97 A100 F101 L120 Q127 I128 | Q92-L124 HydrophobicContact CB-CD2 4.11Å; Q92-L124 HydrophobicContact CG-CD2 3.79Å; L97-L124 HydrophobicContact CD2-CD2 3.76Å; A100-L124 HydrophobicContact CB-CD1 3.82Å; A100-L124 HydrophobicContact CB-CD2 3.88Å; F101-L124 HydrophobicContact CB-CD1 4.45Å; F101-L124 HydrophobicContact CD2-CB 4Å; L120-L124 HydrophobicContact CD1-CD1 4.11Å; L120-L124 HydrophobicContact CD1-CG 4.03Å; L120-L124 HydrophobicContact CD2-CD1 4.45Å; L120-L124 HydrophobicContact CG-CD1 3.83Å; L120-L124 HydrophobicContact CG-CG 4.23Å; L120-L124 VanDerWaalsContact O-CB 3.32Å; L120-L124 WeakPolarHBondContact O-CB 3.38Å; L120-L124 VanDerWaalsContact O-CG 3.22Å; L120-L124 WeakPolarHBondContact O-CG 3.39Å; L120-L124 PolarHBondContact O-N 2.96Å; L124-Q127 PolarHBondContact O-N 3.34Å; L124-I128 WeakPolarHBondContact O-CB 3.37Å; L124-I128 WeakPolarHBondContact O-CG1 3.49Å; L124-I128 PolarHBondContact O-N 3.11Å |
| 125 | G | 85.6 | Confident | 80.8 | Confident | 26 Ų | 26 | 75.5 Ų | 75.5 | 27% | 0.268 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61 | -44.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L121 I128 Q129 | L121-G125 PolarHBondContact O-N 3.15Å; G125-I128 PolarHBondContact O-N 3.49Å; G125-Q129 WeakPolarHBondContact O-CB 3.43Å; G125-Q129 PolarHBondContact O-N 3.33Å |
| 126 | A | 84.4 | Confident | 79.9 | Confident | 58 Ų | 58 | 71 Ų | 71 | 48% | 0.479 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.2 | -42.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | R122 Q123 Q129 Q130 | R122-A126 WeakPolarHBondContact O-CB 3.31Å; R122-A126 PolarHBondContact O-N 3.29Å; Q123-A126 PolarHBondContact O-N 3.42Å; A126-Q129 PolarHBondContact O-N 2.89Å; A126-Q130 VanDerWaalsContact O-CB 3.28Å; A126-Q130 WeakPolarHBondContact O-CB 3.37Å; A126-Q130 PolarHBondContact O-N 3.49Å |
| 127 | Q | 81.3 | Confident | 79.2 | Confident | 75 Ų | 75 | 71.3 Ų | 71.3 | 35% | 0.35 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.4 | -40.7 | 176.2 | -72.8 | 175.1 | -3.4 | 0 | 0 | 112.1 | L97 Q123 L124 K131 | L97-Q127 HydrophobicContact CD1-CB 3.8Å; L97-Q127 HydrophobicContact CD2-CB 4.48Å; Q123-Q127 WeakPolarHBondContact O-CB 3.3Å; Q123-Q127 VanDerWaalsContact O-CG 3.25Å; Q123-Q127 WeakPolarHBondContact O-CG 3.48Å; Q123-Q127 PolarHBondContact O-N 3.46Å; L124-Q127 PolarHBondContact O-N 3.34Å; Q127-K131 WeakPolarHBondContact O-CB 3.44Å; Q127-K131 PolarHBondContact O-N 3.46Å |
| 128 | I | 83.1 | Confident | 78.3 | Confident | 44 Ų | 44 | 72.1 Ų | 72.1 | 23% | 0.226 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66.3 | -44.2 | 176.8 | -70.2 | 165.2 | 0 | 0 | 0 | 110.6 | L97 F101 L124 G125 K131 S132 | L97-I128 HydrophobicContact CB-CD1 4.18Å; L97-I128 HydrophobicContact CB-CG1 3.66Å; L97-I128 HydrophobicContact CD1-CG1 4.26Å; F101-I128 HydrophobicContact CB-CD1 3.87Å; F101-I128 HydrophobicContact CD2-CD1 4.1Å; F101-I128 HydrophobicContact CG-CD1 4.12Å; L124-I128 WeakPolarHBondContact O-CB 3.37Å; L124-I128 WeakPolarHBondContact O-CG1 3.49Å; L124-I128 PolarHBondContact O-N 3.11Å; G125-I128 PolarHBondContact O-N 3.49Å; I128-K131 PolarHBondContact O-N 3.2Å; I128-S132 VanDerWaalsContact O-CB 3.3Å; I128-S132 WeakPolarHBondContact O-CB 3.36Å; I128-S132 PolarHBondContact O-N 3.39Å |
| 129 | Q | 80.7 | Confident | 77.6 | Confident | 147 Ų | 147 | 69.3 Ų | 69.3 | 69% | 0.687 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -66.8 | -42 | 179.3 | -169.8 | 173.4 | 12.8 | 0 | 0 | 111.9 | G125 A126 S132 A133 | G125-Q129 WeakPolarHBondContact O-CB 3.43Å; G125-Q129 PolarHBondContact O-N 3.33Å; A126-Q129 PolarHBondContact O-N 2.89Å; Q129-S132 PolarHBondContact O-N 3.01Å; Q129-A133 WeakPolarHBondContact O-CB 3.41Å; Q129-A133 PolarHBondContact O-N 3.02Å |
| 130 | Q | 78.5 | Confident | 76.9 | Confident | 136 Ų | 136 | 69 Ų | 69 | 64% | 0.636 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -61.6 | -45.6 | 173.7 | -174 | 179.3 | 16.8 | 0 | 0 | 111.1 | A126 A133 Q134 | A126-Q130 VanDerWaalsContact O-CB 3.28Å; A126-Q130 WeakPolarHBondContact O-CB 3.37Å; A126-Q130 PolarHBondContact O-N 3.49Å; Q130-A133 PolarHBondContact O-N 3.02Å; Q130-Q134 WeakPolarHBondContact O-CB 3.42Å; Q130-Q134 PolarHBondContact O-N 3.2Å |
| 131 | K | 71.9 | Confident | 76.3 | Confident | 91 Ų | 91 | 74.9 Ų | 74.9 | 40% | 0.396 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.2 | -47.3 | 176.8 | -165.3 | 175.8 | -177 | -177.1 | 0 | 110.6 | L97 Q127 I128 A133 Q134 L135 | L97-K131 HydrophobicContact CD1-CD 4.1Å; Q127-K131 WeakPolarHBondContact O-CB 3.44Å; Q127-K131 PolarHBondContact O-N 3.46Å; I128-K131 PolarHBondContact O-N 3.2Å; K131-A133 PolarHBondContact O-N 3.16Å; K131-Q134 PolarHBondContact O-N 3.31Å; K131-L135 HydrophobicContact CG-CD1 4.13Å; K131-L135 HydrophobicContact CG-CG 4.34Å; K131-L135 WeakPolarHBondContact O-CB 3.48Å; K131-L135 WeakPolarHBondContact O-CG 3.38Å; K131-L135 PolarHBondContact O-N 3.02Å |
| 132 | S | 69.6 | Low | 75.8 | Confident | 53 Ų | 53 | 73.4 Ų | 73.4 | 37% | 0.371 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.8 | -41.6 | 178.3 | 179.3 | 0 | 0 | 0 | 0 | 113.2 | I128 Q129 L135 N136 | I128-S132 VanDerWaalsContact O-CB 3.3Å; I128-S132 WeakPolarHBondContact O-CB 3.36Å; I128-S132 PolarHBondContact O-N 3.39Å; Q129-S132 PolarHBondContact O-N 3.01Å; S132-L135 PolarHBondContact O-N 3.44Å; S132-N136 PolarHBondContact O-N 3.23Å |
| 133 | A | 71.8 | Confident | 75.3 | Confident | 63 Ų | 63 | 71 Ų | 71 | 52% | 0.521 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.4 | -39.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q129 Q130 K131 S137 | Q129-A133 WeakPolarHBondContact O-CB 3.41Å; Q129-A133 PolarHBondContact O-N 3.02Å; Q130-A133 PolarHBondContact O-N 3.02Å; K131-A133 PolarHBondContact O-N 3.16Å; A133-S137 PolarHBondContact O-N 3.33Å |
| 134 | Q | 67.9 | Low | 75 | Confident | 123 Ų | 123 | 71.5 Ų | 71.5 | 58% | 0.575 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -65.1 | -42.3 | 174 | -170.9 | 173.1 | -1.7 | 0 | 0 | 111.4 | Q130 K131 S137 T138 | Q130-Q134 WeakPolarHBondContact O-CB 3.42Å; Q130-Q134 PolarHBondContact O-N 3.2Å; K131-Q134 PolarHBondContact O-N 3.31Å; Q134-S137 PolarHBondContact O-N 3.46Å; Q134-T138 PolarHBondContact O-N 3.29Å; Q134-T138 VanDerWaalsContact O-N 3.09Å; Q134-T138 PolarHBondContact O-OG1 3.23Å; Q134-T138 VanDerWaalsContact O-OG1 3.13Å |
| 135 | L | 61.2 | Low | 74.6 | Confident | 42 Ų | 42 | 72.9 Ų | 72.9 | 22% | 0.22 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.2 | -48.3 | 179.4 | -74.1 | 177.1 | 0 | 0 | 0 | 112.4 | K131 S132 S137 T138 D139 Q179 | K131-L135 HydrophobicContact CG-CD1 4.13Å; K131-L135 HydrophobicContact CG-CG 4.34Å; K131-L135 WeakPolarHBondContact O-CB 3.48Å; K131-L135 WeakPolarHBondContact O-CG 3.38Å; K131-L135 PolarHBondContact O-N 3.02Å; S132-L135 PolarHBondContact O-N 3.44Å; L135-S137 VanDerWaalsContact C-N 3.28Å; L135-S137 PolarHBondContact O-N 3.49Å; L135-T138 WeakPolarHBondContact CA-OG1 3.43Å; L135-T138 PolarHBondContact O-N 3.35Å; L135-T138 VanDerWaalsContact O-N 3.09Å; L135-T138 PolarHBondContact O-OG1 2.87Å; L135-D139 PolarHBondContact O-N 2.76Å; L135-Q179 HydrophobicContact CD2-CG 4.16Å |
| 136 | N | 66.3 | Low | 74.3 | Confident | 105 Ų | 105 | 71.9 Ų | 71.9 | 56% | 0.561 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -63.3 | -33.5 | 179.1 | -67.9 | -16.1 | 0 | 0 | 0 | 112.4 | S132 | S132-N136 PolarHBondContact O-N 3.23Å |
| 137 | S | 68.5 | Low | 74 | Confident | 53 Ų | 53 | 72.4 Ų | 72.4 | 37% | 0.371 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -71.8 | -33 | 175.3 | -172.2 | 0 | 0 | 0 | 0 | 112.5 | A133 Q134 L135 R141 | A133-S137 PolarHBondContact O-N 3.33Å; Q134-S137 PolarHBondContact O-N 3.46Å; L135-S137 VanDerWaalsContact C-N 3.28Å; L135-S137 PolarHBondContact O-N 3.49Å; S137-R141 WeakPolarHBondContact O-CG 3.28Å; S137-R141 PolarHBondContact O-NE 3.48Å; S137-R141 PolarHBondContact OG-NH2 3.42Å |
| 138 | T | 68.4 | Low | 74 | Confident | 24 Ų | 24 | 69.9 Ų | 69.9 | 15% | 0.147 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -75.4 | -35.6 | 176.9 | 45.2 | 0 | 0 | 0 | 0 | 112.7 | Q134 L135 R141 V142 | Q134-T138 PolarHBondContact O-N 3.29Å; Q134-T138 VanDerWaalsContact O-N 3.09Å; Q134-T138 PolarHBondContact O-OG1 3.23Å; Q134-T138 VanDerWaalsContact O-OG1 3.13Å; L135-T138 WeakPolarHBondContact CA-OG1 3.43Å; L135-T138 PolarHBondContact O-N 3.35Å; L135-T138 VanDerWaalsContact O-N 3.09Å; L135-T138 PolarHBondContact O-OG1 2.87Å; T138-R141 WeakPolarHBondContact O-CB 3.22Å; T138-R141 PolarHBondContact O-N 3.29Å; T138-V142 WeakPolarHBondContact O-CG2 3.47Å; T138-V142 PolarHBondContact O-N 3.24Å |
| 139 | D | 70.3 | Confident | 73.6 | Confident | 34 Ų | 34 | 68.4 Ų | 68.4 | 18% | 0.182 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61 | -47.2 | 178.4 | -79.3 | -30.2 | 0 | 0 | 0 | 112.5 | L135 R141 V142 Q143 Q179 N183 | L135-D139 PolarHBondContact O-N 2.76Å; D139-R141 VanDerWaalsContact C-N 3.26Å; D139-R141 PolarHBondContact O-N 3.22Å; D139-V142 PolarHBondContact O-N 2.84Å; D139-Q143 WeakPolarHBondContact O-CG 3.39Å; D139-Q143 PolarHBondContact O-N 2.9Å; D139-Q179 WeakPolarHBondContact OD1-CB 3.32Å; D139-Q179 WeakPolarHBondContact OD1-CG 3.47Å; D139-Q179 PolarHBondContact OD1-OE1 3.18Å; D139-N183 PolarHBondContact OD1-ND2 2.98Å |
| 140 | A | 71.5 | Confident | 73.2 | Confident | 61 Ų | 61 | 64.7 Ų | 64.7 | 50% | 0.504 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60 | -37.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q144 | A140-Q144 WeakPolarHBondContact O-CB 3.22Å; A140-Q144 PolarHBondContact O-N 3.45Å; A140-Q144 VanDerWaalsContact O-N 3.09Å |
| 141 | R | 73.7 | Confident | 73.1 | Confident | 134 Ų | 134 | 61.7 Ų | 61.7 | 51% | 0.506 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -68.7 | -43.5 | 176.8 | -69.3 | 178.8 | -142.7 | -169.1 | 3.3 | 112 | S137 T138 D139 Q144 M145 | S137-R141 WeakPolarHBondContact O-CG 3.28Å; S137-R141 PolarHBondContact O-NE 3.48Å; S137-R141 PolarHBondContact OG-NH2 3.42Å; T138-R141 WeakPolarHBondContact O-CB 3.22Å; T138-R141 PolarHBondContact O-N 3.29Å; D139-R141 VanDerWaalsContact C-N 3.26Å; D139-R141 PolarHBondContact O-N 3.22Å; R141-Q144 PolarHBondContact O-N 3.02Å; R141-M145 HydrophobicContact CB-CE 4.35Å; R141-M145 VanDerWaalsContact O-CG 3.26Å; R141-M145 WeakPolarHBondContact O-CG 3.47Å; R141-M145 PolarHBondContact O-N 3.16Å |
| 142 | V | 77.3 | Confident | 72.5 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.006 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63 | -45.6 | 179.5 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | T138 D139 Q144 M145 F146 L170 I180 | T138-V142 WeakPolarHBondContact O-CG2 3.47Å; T138-V142 PolarHBondContact O-N 3.24Å; D139-V142 PolarHBondContact O-N 2.84Å; V142-Q144 PolarHBondContact O-N 3.48Å; V142-M145 PolarHBondContact O-N 3.28Å; V142-F146 HydrophobicContact CG1-CD2 3.76Å; V142-F146 HydrophobicContact CG1-CE2 3.63Å; V142-F146 WeakPolarHBondContact O-CD2 3.39Å; V142-F146 PolarHBondContact O-N 3.01Å; V142-L170 HydrophobicContact CG2-CD1 4.09Å; V142-I180 HydrophobicContact CG1-CG1 3.91Å; V142-I180 HydrophobicContact CG2-CG1 4.22Å |
| 143 | Q | 77 | Confident | 71.9 | Confident | 116 Ų | 116 | 65.3 Ų | 65.3 | 54% | 0.542 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 176.8 | -69.8 | -179.1 | -3.6 | 0 | 0 | 112.3 | D139 M145 F146 S147 | D139-Q143 WeakPolarHBondContact O-CG 3.39Å; D139-Q143 PolarHBondContact O-N 2.9Å; Q143-M145 VanDerWaalsContact C-N 3.32Å; Q143-M145 PolarHBondContact O-N 3.26Å; Q143-F146 PolarHBondContact O-N 2.96Å; Q143-S147 PolarHBondContact O-N 3.47Å; Q143-S147 PolarHBondContact O-OG 3.12Å |
| 144 | Q | 78.4 | Confident | 70.9 | Confident | 116 Ų | 116 | 64.2 Ų | 64.2 | 54% | 0.542 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.3 | -34.7 | 174.9 | -171 | -177.8 | 15.3 | 0 | 0 | 112.5 | A140 R141 V142 S147 V148 | A140-Q144 WeakPolarHBondContact O-CB 3.22Å; A140-Q144 PolarHBondContact O-N 3.45Å; A140-Q144 VanDerWaalsContact O-N 3.09Å; R141-Q144 PolarHBondContact O-N 3.02Å; V142-Q144 PolarHBondContact O-N 3.48Å; Q144-S147 PolarHBondContact O-OG 3.4Å; Q144-V148 VanDerWaalsContact O-CG2 3.29Å; Q144-V148 WeakPolarHBondContact O-CG2 3.42Å; Q144-V148 PolarHBondContact O-N 3.48Å |
| 145 | M | 80.1 | Confident | 70.2 | Confident | 28 Ų | 28 | 68.2 Ų | 68.2 | 14% | 0.138 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -69.7 | -43.4 | 176.1 | -71.4 | 173 | -168.1 | 0 | 0 | 111.6 | R141 V142 Q143 S147 V148 L149 N166 L170 | R141-M145 HydrophobicContact CB-CE 4.35Å; R141-M145 VanDerWaalsContact O-CG 3.26Å; R141-M145 WeakPolarHBondContact O-CG 3.47Å; R141-M145 PolarHBondContact O-N 3.16Å; V142-M145 PolarHBondContact O-N 3.28Å; Q143-M145 VanDerWaalsContact C-N 3.32Å; Q143-M145 PolarHBondContact O-N 3.26Å; M145-S147 PolarHBondContact O-N 3.33Å; M145-V148 PolarHBondContact O-N 3.31Å; M145-L149 WeakPolarHBondContact O-CG 3.49Å; M145-L149 PolarHBondContact O-N 2.85Å; M145-L149 VanDerWaalsContact O-N 3.1Å; M145-N166 HydrophobicContact CE-CB 3.56Å; M145-N166 HydrophobicContact SD-CB 3.79Å; M145-L170 HydrophobicContact CE-CD1 3.94Å; M145-L170 HydrophobicContact SD-CD1 3.71Å |
| 146 | F | 78.4 | Confident | 70.2 | Confident | 5 Ų | 5 | 71.4 Ų | 71.4 | 2% | 0.022 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65.3 | -36.6 | 176.5 | -81.9 | -63.7 | 0 | 0 | 0 | 113 | V142 Q143 V148 L149 L150 L167 I180 L188 I189 L192 | V142-F146 HydrophobicContact CG1-CD2 3.76Å; V142-F146 HydrophobicContact CG1-CE2 3.63Å; V142-F146 WeakPolarHBondContact O-CD2 3.39Å; V142-F146 PolarHBondContact O-N 3.01Å; Q143-F146 PolarHBondContact O-N 2.96Å; F146-V148 VanDerWaalsContact C-N 3.34Å; F146-V148 PolarHBondContact O-N 2.87Å; F146-L149 PolarHBondContact O-N 3.14Å; F146-L150 WeakPolarHBondContact O-CB 3.33Å; F146-L150 WeakPolarHBondContact O-CG 3.08Å; F146-L150 PolarHBondContact O-N 2.92Å; F146-L167 HydrophobicContact CD1-CD2 4.48Å; F146-L167 HydrophobicContact CE1-CD2 3.83Å; F146-L167 HydrophobicContact CE2-CD1 4.04Å; F146-L167 HydrophobicContact CZ-CD1 4.05Å; F146-L167 HydrophobicContact CZ-CD2 3.92Å; F146-I180 HydrophobicContact CE2-CG2 4.18Å; F146-I180 HydrophobicContact CZ-CG2 4.02Å; F146-L188 HydrophobicContact CB-CD1 3.92Å; F146-L188 HydrophobicContact CD1-CB 3.81Å; F146-L188 HydrophobicContact CD1-CD1 3.95Å; F146-L188 HydrophobicContact CD2-CD1 3.93Å; F146-L188 HydrophobicContact CE1-CB 3.88Å; F146-L188 HydrophobicContact CE1-CD1 4.45Å; F146-L188 HydrophobicContact CE2-CD1 4.42Å; F146-L188 HydrophobicContact CG-CB 4.41Å; F146-L188 HydrophobicContact CG-CD1 3.67Å; F146-I189 HydrophobicContact CE1-CG1 3.99Å; F146-I189 HydrophobicContact CZ-CD1 4.48Å; F146-I189 HydrophobicContact CZ-CG1 4.21Å; F146-L192 HydrophobicContact CE1-CD1 4.45Å |
| 147 | S | 79.1 | Confident | 70.2 | Confident | 69 Ų | 69 | 69.2 Ų | 69.2 | 48% | 0.483 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.1 | -39.8 | 176.1 | 66.6 | 0 | 0 | 0 | 0 | 112 | Q143 Q144 M145 L149 D151 | Q143-S147 PolarHBondContact O-N 3.47Å; Q143-S147 PolarHBondContact O-OG 3.12Å; Q144-S147 PolarHBondContact O-OG 3.4Å; M145-S147 PolarHBondContact O-N 3.33Å; S147-L149 PolarHBondContact O-N 3.05Å; S147-D151 WeakPolarHBondContact O-CB 3.36Å; S147-D151 PolarHBondContact O-N 3.35Å; S147-D151 VanDerWaalsContact O-N 3.15Å |
| 148 | V | 80.4 | Confident | 70.4 | Confident | 22 Ų | 22 | 72.6 Ų | 72.6 | 13% | 0.133 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65.4 | -36.8 | 175.1 | 171.7 | 0 | 0 | 0 | 0 | 112.2 | Q144 M145 F146 R159 Q160 A163 | Q144-V148 VanDerWaalsContact O-CG2 3.29Å; Q144-V148 WeakPolarHBondContact O-CG2 3.42Å; Q144-V148 PolarHBondContact O-N 3.48Å; M145-V148 PolarHBondContact O-N 3.31Å; F146-V148 VanDerWaalsContact C-N 3.34Å; F146-V148 PolarHBondContact O-N 2.87Å; V148-R159 HydrophobicContact CG1-CG 4.23Å; V148-Q160 HydrophobicContact CG1-CG 4.3Å; V148-A163 HydrophobicContact CB-CB 4.24Å; V148-A163 HydrophobicContact CG1-CB 3.86Å |
| 149 | L | 73.8 | Confident | 70.8 | Confident | 14 Ų | 14 | 78.3 Ų | 78.3 | 7% | 0.073 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -77 | -28.4 | -178.7 | -69.8 | 172.2 | 0 | 0 | 0 | 113.8 | M145 F146 S147 Q160 A163 A164 L167 L192 | M145-L149 WeakPolarHBondContact O-CG 3.49Å; M145-L149 PolarHBondContact O-N 2.85Å; M145-L149 VanDerWaalsContact O-N 3.1Å; F146-L149 PolarHBondContact O-N 3.14Å; S147-L149 PolarHBondContact O-N 3.05Å; L149-Q160 WeakPolarHBondContact CD2-O 3.23Å; L149-A163 HydrophobicContact CD2-CB 4.34Å; L149-A163 HydrophobicContact CG-CB 4.31Å; L149-A164 HydrophobicContact CD2-CB 3.89Å; L149-L167 HydrophobicContact CD1-CD2 3.88Å; L149-L192 HydrophobicContact CB-CD2 4.13Å; L149-L192 HydrophobicContact CD1-CD1 4.35Å |
| 150 | L | 73.8 | Confident | 71 | Confident | 69 Ų | 69 | 77.8 Ų | 77.8 | 36% | 0.361 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -92.3 | -11.9 | -179.9 | -66.9 | 167.8 | 0 | 0 | 0 | 113.2 | F146 S152 L188 K191 L192 | F146-L150 WeakPolarHBondContact O-CB 3.33Å; F146-L150 WeakPolarHBondContact O-CG 3.08Å; F146-L150 PolarHBondContact O-N 2.92Å; L150-S152 PolarHBondContact O-N 3.02Å; L150-L188 HydrophobicContact CD1-CB 4.34Å; L150-L188 HydrophobicContact CD1-CD2 3.75Å; L150-L188 HydrophobicContact CD1-CG 4.44Å; L150-K191 HydrophobicContact CD2-CB 4.16Å; L150-L192 HydrophobicContact CD2-CD2 3.67Å; L150-L192 HydrophobicContact CD2-CG 4.35Å; L150-L192 HydrophobicContact CG-CD2 4.3Å |
| 151 | D | 76.3 | Confident | 71.2 | Confident | 73 Ų | 73 | 79.6 Ų | 79.6 | 39% | 0.39 | 41% | 0.414 | S | S | . | . | trans | -75.2 | 105.5 | 175.9 | -167.4 | -7.3 | 0 | 0 | 0 | 110.8 | S147 S153 Q160 | S147-D151 WeakPolarHBondContact O-CB 3.36Å; S147-D151 PolarHBondContact O-N 3.35Å; S147-D151 VanDerWaalsContact O-N 3.15Å; D151-S153 PolarHBondContact O-N 3.08Å; D151-S153 WeakPolarHBondContact OD1-CB 3.28Å; D151-S153 PolarHBondContact OD1-N 3.19Å; D151-S153 PolarHBondContact OD1-OG 3.09Å; D151-S153 PolarHBondContact OD2-OG 3.43Å; D151-Q160 PolarHBondContact O-NE2 3.05Å | ||
| 152 | S | 58.1 | Low | 71.4 | Confident | 128 Ų | 128 | 79.3 Ų | 79.3 | 90% | 0.895 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -4.1 | 178 | 46.8 | 0 | 0 | 0 | 0 | 113.6 | L150 | L150-S152 PolarHBondContact O-N 3.02Š|
| 153 | S | 57.4 | Low | 71.6 | Confident | 92 Ų | 92 | 79.7 Ų | 79.7 | 64% | 0.643 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -7.5 | -178.6 | 76.5 | 0 | 0 | 0 | 0 | 114.5 | D151 K155 | D151-S153 PolarHBondContact O-N 3.08Å; D151-S153 WeakPolarHBondContact OD1-CB 3.28Å; D151-S153 PolarHBondContact OD1-N 3.19Å; D151-S153 PolarHBondContact OD1-OG 3.09Å; D151-S153 PolarHBondContact OD2-OG 3.43Å; S153-K155 PolarHBondContact O-N 3.03Å |
| 154 | A | 51.9 | Low | 71.6 | Confident | 39 Ų | 39 | 74.4 Ų | 74.4 | 32% | 0.322 | 40% | 0.398 | S | S | . | . | trans | -73.2 | 109.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | D156 | A154-D156 PolarHBondContact O-N 3.17Š| ||
| 155 | K | 52.3 | Low | 71.8 | Confident | 208 Ų | 208 | 73.5 Ų | 73.5 | 90% | 0.904 | 39% | 0.394 | S | S | * | . | trans | -69.5 | -8.4 | 172.6 | -73.3 | -180 | 176.1 | 178.2 | 0 | 114 | S153 S157 | S153-K155 PolarHBondContact O-N 3.03Å; K155-S157 PolarHBondContact O-N 2.97Å | ||
| 156 | D | 61.7 | Low | 71.9 | Confident | 108 Ų | 108 | 75.3 Ų | 75.3 | 58% | 0.578 | 40% | 0.404 | S | S | * | . | trans | -95 | 90.7 | -178.1 | -79.2 | -29.6 | 0 | 0 | 0 | 112.4 | A154 D158 R159 Q160 | A154-D156 PolarHBondContact O-N 3.17Å; D156-D158 PolarHBondContact O-N 3.48Å; D156-R159 HydrophobicContact CB-CB 4.01Å; D156-R159 PolarHBondContact O-N 3.46Å; D156-Q160 PolarHBondContact O-N 3.36Å | ||
| 157 | S | 65.8 | Low | 72.1 | Confident | 59 Ų | 59 | 75.1 Ų | 75.1 | 41% | 0.413 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -54.5 | -33.7 | 173.2 | -176.1 | 0 | 0 | 0 | 0 | 112.5 | K155 K161 | K155-S157 PolarHBondContact O-N 2.97Å; S157-K161 WeakPolarHBondContact O-CB 3.41Å; S157-K161 VanDerWaalsContact O-CG 3.24Å; S157-K161 WeakPolarHBondContact O-CG 3.39Å; S157-K161 PolarHBondContact O-N 3.49Å; S157-K161 WeakPolarHBondContact OG-CE 3.12Å; S157-K161 PolarHBondContact OG-NZ 3.24Å |
| 158 | D | 72.9 | Confident | 72.3 | Confident | 124 Ų | 124 | 72.1 Ų | 72.1 | 66% | 0.663 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -72.8 | -37.2 | -176.6 | -66.9 | -25 | 0 | 0 | 0 | 112.9 | D156 K161 Q162 | D156-D158 PolarHBondContact O-N 3.48Å; D158-K161 PolarHBondContact O-N 3.41Å; D158-Q162 WeakPolarHBondContact O-CB 3.47Å; D158-Q162 PolarHBondContact O-N 3.11Å |
| 159 | R | 76.6 | Confident | 72.5 | Confident | 144 Ų | 144 | 74.9 Ų | 74.9 | 54% | 0.543 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -68.6 | -38.4 | 177 | -171 | 176.4 | 178.2 | 173.2 | -1.3 | 111.4 | V148 D156 A163 | V148-R159 HydrophobicContact CG1-CG 4.23Å; D156-R159 HydrophobicContact CB-CB 4.01Å; D156-R159 PolarHBondContact O-N 3.46Å; R159-A163 WeakPolarHBondContact O-CB 3.42Å; R159-A163 PolarHBondContact O-N 3.38Å |
| 160 | Q | 74.4 | Confident | 72.9 | Confident | 24 Ų | 24 | 76 Ų | 76 | 11% | 0.112 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65 | -44.9 | 173.1 | -74.5 | -178.7 | -27.4 | 0 | 0 | 111.6 | V148 L149 D151 D156 Q162 A163 A164 | V148-Q160 HydrophobicContact CG1-CG 4.3Å; L149-Q160 WeakPolarHBondContact CD2-O 3.23Å; D151-Q160 PolarHBondContact O-NE2 3.05Å; D156-Q160 PolarHBondContact O-N 3.36Å; Q160-Q162 VanDerWaalsContact C-N 3.34Å; Q160-Q162 PolarHBondContact O-N 3.26Å; Q160-A163 PolarHBondContact O-N 2.93Å; Q160-A164 WeakPolarHBondContact O-CB 3.23Å; Q160-A164 PolarHBondContact O-N 3.4Å |
| 161 | K | 75.3 | Confident | 73.3 | Confident | 99 Ų | 99 | 72.8 Ų | 72.8 | 43% | 0.43 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.7 | -41.2 | 175.4 | -75.7 | 170.1 | 179.9 | 169.7 | 0 | 112.5 | S157 D158 A164 Q165 D199 | S157-K161 WeakPolarHBondContact O-CB 3.41Å; S157-K161 VanDerWaalsContact O-CG 3.24Å; S157-K161 WeakPolarHBondContact O-CG 3.39Å; S157-K161 PolarHBondContact O-N 3.49Å; S157-K161 WeakPolarHBondContact OG-CE 3.12Å; S157-K161 PolarHBondContact OG-NZ 3.24Å; D158-K161 PolarHBondContact O-N 3.41Å; K161-A164 PolarHBondContact O-N 2.8Å; K161-Q165 WeakPolarHBondContact O-CB 3.23Å; K161-Q165 PolarHBondContact O-N 3.02Å; K161-D199 WeakPolarHBondContact CE-OD2 3.41Å |
| 162 | Q | 79.3 | Confident | 73.5 | Confident | 127 Ų | 127 | 78.2 Ų | 78.2 | 59% | 0.593 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -67.9 | -42.2 | 177.7 | -167.9 | 179.3 | 17.9 | 0 | 0 | 112 | D158 Q160 A164 Q165 N166 | D158-Q162 WeakPolarHBondContact O-CB 3.47Å; D158-Q162 PolarHBondContact O-N 3.11Å; Q160-Q162 VanDerWaalsContact C-N 3.34Å; Q160-Q162 PolarHBondContact O-N 3.26Å; Q162-A164 VanDerWaalsContact C-N 3.35Å; Q162-Q165 PolarHBondContact O-N 3.4Å; Q162-N166 WeakPolarHBondContact O-CB 3.4Å; Q162-N166 PolarHBondContact O-N 2.7Å; Q162-N166 PolarHBondContact O-ND2 3.37Å |
| 163 | A | 80.8 | Confident | 74.6 | Confident | 9 Ų | 9 | 76.7 Ų | 76.7 | 7% | 0.074 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V148 L149 R159 Q160 N166 L167 | V148-A163 HydrophobicContact CB-CB 4.24Å; V148-A163 HydrophobicContact CG1-CB 3.86Å; L149-A163 HydrophobicContact CD2-CB 4.34Å; L149-A163 HydrophobicContact CG-CB 4.31Å; R159-A163 WeakPolarHBondContact O-CB 3.42Å; R159-A163 PolarHBondContact O-N 3.38Å; Q160-A163 PolarHBondContact O-N 2.93Å; A163-N166 PolarHBondContact O-N 3.28Å; A163-L167 WeakPolarHBondContact O-CB 3.45Å; A163-L167 PolarHBondContact O-N 3.47Å |
| 164 | A | 77.9 | Confident | 75.3 | Confident | 5 Ų | 5 | 78.2 Ų | 78.2 | 4% | 0.041 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59.8 | -48.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | L149 Q160 K161 Q162 N166 L167 V168 S203 | L149-A164 HydrophobicContact CD2-CB 3.89Å; Q160-A164 WeakPolarHBondContact O-CB 3.23Å; Q160-A164 PolarHBondContact O-N 3.4Å; K161-A164 PolarHBondContact O-N 2.8Å; Q162-A164 VanDerWaalsContact C-N 3.35Å; A164-N166 PolarHBondContact O-N 2.98Å; A164-L167 PolarHBondContact O-N 3.48Å; A164-V168 WeakPolarHBondContact O-CG2 3.44Å; A164-V168 PolarHBondContact O-N 3.03Å; A164-V168 VanDerWaalsContact O-N 3.1Å; A164-S203 WeakPolarHBondContact CB-OG 3.38Å |
| 165 | Q | 81.8 | Confident | 76.2 | Confident | 98 Ų | 98 | 77.6 Ų | 77.6 | 46% | 0.458 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.9 | -41.3 | 179.5 | -176.6 | 59.3 | 36.4 | 0 | 0 | 111.9 | K161 Q162 L167 V168 V169 | K161-Q165 WeakPolarHBondContact O-CB 3.23Å; K161-Q165 PolarHBondContact O-N 3.02Å; Q162-Q165 PolarHBondContact O-N 3.4Å; Q165-L167 VanDerWaalsContact C-N 3.33Å; Q165-L167 PolarHBondContact O-N 2.97Å; Q165-V168 PolarHBondContact O-N 3.44Å; Q165-V169 WeakPolarHBondContact O-CG2 3.5Å; Q165-V169 PolarHBondContact O-N 3.28Å |
| 166 | N | 83.1 | Confident | 77.3 | Confident | 66 Ų | 66 | 67.8 Ų | 67.8 | 35% | 0.353 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.2 | -39.4 | 176.9 | -71.8 | -19 | 0 | 0 | 0 | 111.8 | M145 Q162 A163 A164 V168 V169 L170 | M145-N166 HydrophobicContact CE-CB 3.56Å; M145-N166 HydrophobicContact SD-CB 3.79Å; Q162-N166 WeakPolarHBondContact O-CB 3.4Å; Q162-N166 PolarHBondContact O-N 2.7Å; Q162-N166 PolarHBondContact O-ND2 3.37Å; A163-N166 PolarHBondContact O-N 3.28Å; A164-N166 PolarHBondContact O-N 2.98Å; N166-V168 VanDerWaalsContact C-N 3.34Å; N166-V168 PolarHBondContact O-N 3.12Å; N166-V169 PolarHBondContact O-N 3.39Å; N166-L170 WeakPolarHBondContact O-CG 3.46Å; N166-L170 PolarHBondContact O-N 3.01Å |
| 167 | L | 82.4 | Confident | 78.3 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 175.8 | -171 | 68.9 | 0 | 0 | 0 | 111.6 | F146 L149 A163 A164 Q165 V169 L170 S171 I180 T207 | F146-L167 HydrophobicContact CD1-CD2 4.48Å; F146-L167 HydrophobicContact CE1-CD2 3.83Å; F146-L167 HydrophobicContact CE2-CD1 4.04Å; F146-L167 HydrophobicContact CZ-CD1 4.05Å; F146-L167 HydrophobicContact CZ-CD2 3.92Å; L149-L167 HydrophobicContact CD1-CD2 3.88Å; A163-L167 WeakPolarHBondContact O-CB 3.45Å; A163-L167 PolarHBondContact O-N 3.47Å; A164-L167 PolarHBondContact O-N 3.48Å; Q165-L167 VanDerWaalsContact C-N 3.33Å; Q165-L167 PolarHBondContact O-N 2.97Å; L167-V169 PolarHBondContact O-N 2.78Å; L167-L170 PolarHBondContact O-N 3.37Å; L167-S171 WeakPolarHBondContact O-CB 3.24Å; L167-S171 PolarHBondContact O-N 2.91Å; L167-I180 HydrophobicContact CD1-CD1 3.73Å; L167-I180 HydrophobicContact CD1-CG1 4.04Å; L167-I180 HydrophobicContact CG-CD1 4.41Å; L167-T207 HydrophobicContact CD2-CG2 3.94Å; L167-T207 HydrophobicContact CG-CG2 3.82Å |
| 168 | V | 83.4 | Confident | 78.9 | Confident | 5 Ų | 5 | 63.1 Ų | 63.1 | 3% | 0.03 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 175.3 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | A164 Q165 N166 S171 R172 R206 | A164-V168 WeakPolarHBondContact O-CG2 3.44Å; A164-V168 PolarHBondContact O-N 3.03Å; A164-V168 VanDerWaalsContact O-N 3.1Å; Q165-V168 PolarHBondContact O-N 3.44Å; N166-V168 VanDerWaalsContact C-N 3.34Å; N166-V168 PolarHBondContact O-N 3.12Å; V168-S171 PolarHBondContact O-N 3.22Å; V168-S171 PolarHBondContact O-OG 3.08Å; V168-R172 PolarHBondContact O-N 3.28Å; V168-R206 HydrophobicContact CG1-CB 4.09Å; V168-R206 HydrophobicContact CG2-CB 3.67Å |
| 169 | V | 83.1 | Confident | 79 | Confident | 81 Ų | 81 | 57.5 Ų | 57.5 | 49% | 0.491 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 177.6 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | Q165 N166 L167 S171 R172 | Q165-V169 WeakPolarHBondContact O-CG2 3.5Å; Q165-V169 PolarHBondContact O-N 3.28Å; N166-V169 PolarHBondContact O-N 3.39Å; L167-V169 PolarHBondContact O-N 2.78Å; V169-S171 VanDerWaalsContact C-N 3.29Å; V169-S171 PolarHBondContact O-N 2.62Å; V169-R172 PolarHBondContact O-N 3.44Å |
| 170 | L | 82.6 | Confident | 79.3 | Confident | 37 Ų | 37 | 50.7 Ų | 50.7 | 19% | 0.194 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.8 | -35.7 | 176.6 | -71.1 | 171.1 | 0 | 0 | 0 | 112.4 | V142 M145 N166 L167 R172 D173 G176 A177 I180 | V142-L170 HydrophobicContact CG2-CD1 4.09Å; M145-L170 HydrophobicContact CE-CD1 3.94Å; M145-L170 HydrophobicContact SD-CD1 3.71Å; N166-L170 WeakPolarHBondContact O-CG 3.46Å; N166-L170 PolarHBondContact O-N 3.01Å; L167-L170 PolarHBondContact O-N 3.37Å; L170-R172 PolarHBondContact O-N 3.08Å; L170-D173 PolarHBondContact O-N 2.88Å; L170-G176 CarbonylContact O-C 3.55Å; L170-G176 WeakPolarHBondContact O-CA 3.33Å; L170-A177 PolarHBondContact O-N 3.25Å; L170-I180 HydrophobicContact CB-CD1 4.4Å |
| 171 | S | 82.6 | Confident | 79.6 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.007 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.2 | -17.1 | 179.1 | 74.6 | 0 | 0 | 0 | 0 | 114.1 | L167 V168 V169 G210 | L167-S171 WeakPolarHBondContact O-CB 3.24Å; L167-S171 PolarHBondContact O-N 2.91Å; V168-S171 PolarHBondContact O-N 3.22Å; V168-S171 PolarHBondContact O-OG 3.08Å; V169-S171 VanDerWaalsContact C-N 3.29Å; V169-S171 PolarHBondContact O-N 2.62Å; S171-G210 CarbonylContact O-C 3.55Å; S171-G210 VanDerWaalsContact O-CA 3.24Å; S171-G210 WeakPolarHBondContact O-CA 3.49Å |
| 172 | R | 80.6 | Confident | 79.8 | Confident | 188 Ų | 188 | 55.4 Ų | 55.4 | 71% | 0.709 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -82.8 | -23.5 | 176.1 | -68.5 | 177.4 | 179.3 | -171.9 | -2.1 | 112.7 | V168 V169 L170 | V168-R172 PolarHBondContact O-N 3.28Å; V169-R172 PolarHBondContact O-N 3.44Å; L170-R172 PolarHBondContact O-N 3.08Å |
| 173 | D | 80.1 | Confident | 79.7 | Confident | 95 Ų | 95 | 51.5 Ų | 51.5 | 51% | 0.508 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -84.3 | 136.3 | 174.6 | -176.4 | 28.7 | 0 | 0 | 0 | 109.8 | L170 G175 G176 A177 | L170-D173 PolarHBondContact O-N 2.88Å; D173-G175 VanDerWaalsContact C-N 3.27Å; D173-G175 PolarHBondContact O-N 3.28Å; D173-G176 PolarHBondContact O-N 3.39Å; D173-A177 VanDerWaalsContact O-CB 3.31Å; D173-A177 WeakPolarHBondContact O-CB 3.41Å; D173-A177 PolarHBondContact O-N 3.24Å |
| 174 | E | 72.2 | Confident | 79.6 | Confident | 125 Ų | 125 | 55.5 Ų | 55.5 | 58% | 0.584 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -60.7 | -40.3 | -175.5 | -171.1 | 176.4 | -176.3 | 0 | 0 | 111 | E178 H215 | E174-E178 WeakPolarHBondContact O-CB 3.38Å; E174-E178 PolarHBondContact O-N 3.4Å; E174-H215 IonicContact OE1-CE1 3.63Å; E174-H215 PolarHBondContact OE1-CE1 3.42Å; E174-H215 IonicContact OE1-NE2 2.77Å |
| 175 | G | 71.4 | Confident | 79.7 | Confident | 25 Ų | 25 | 55.2 Ų | 55.2 | 26% | 0.258 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.5 | -42.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | D173 Q179 | D173-G175 VanDerWaalsContact C-N 3.27Å; D173-G175 PolarHBondContact O-N 3.28Å; G175-Q179 WeakPolarHBondContact O-CG 3.41Å; G175-Q179 PolarHBondContact O-N 3.4Å |
| 176 | G | 76.4 | Confident | 79.8 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.1 | -40.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | L170 D173 E178 Q179 I180 | L170-G176 CarbonylContact O-C 3.55Å; L170-G176 WeakPolarHBondContact O-CA 3.33Å; D173-G176 PolarHBondContact O-N 3.39Å; G176-E178 VanDerWaalsContact C-N 3.34Å; G176-E178 PolarHBondContact O-N 3.41Å; G176-Q179 PolarHBondContact O-N 3.09Å; G176-I180 WeakPolarHBondContact O-CG1 3.48Å; G176-I180 PolarHBondContact O-N 2.97Å |
| 177 | A | 81.1 | Confident | 79.8 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.5 | -40.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L170 D173 Q179 I180 F181 L211 R218 | L170-A177 PolarHBondContact O-N 3.25Å; D173-A177 VanDerWaalsContact O-CB 3.31Å; D173-A177 WeakPolarHBondContact O-CB 3.41Å; D173-A177 PolarHBondContact O-N 3.24Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; A177-Q179 PolarHBondContact O-N 3.29Å; A177-I180 PolarHBondContact O-N 2.49Å; A177-F181 WeakPolarHBondContact O-CB 3.4Å; A177-F181 PolarHBondContact O-N 3.02Å; A177-F181 VanDerWaalsContact O-N 3.09Å; A177-L211 HydrophobicContact CB-CD2 3.76Å; A177-L211 VanDerWaalsContact O-CD2 3.28Å; A177-L211 WeakPolarHBondContact O-CD2 3.38Å; A177-R218 VanDerWaalsContact CB-NH1 3.29Å |
| 178 | E | 78.4 | Confident | 79.8 | Confident | 70 Ų | 70 | 54 Ų | 54 | 33% | 0.327 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.4 | -40.1 | 175.5 | -172.7 | 170.6 | -161 | 0 | 0 | 112 | E174 G176 F181 R182 | E174-E178 WeakPolarHBondContact O-CB 3.38Å; E174-E178 PolarHBondContact O-N 3.4Å; G176-E178 VanDerWaalsContact C-N 3.34Å; G176-E178 PolarHBondContact O-N 3.41Å; E178-F181 PolarHBondContact O-N 3.05Å; E178-R182 WeakPolarHBondContact O-CG 3.37Å; E178-R182 PolarHBondContact O-N 3.44Å; E178-R182 IonicContact OE1-CZ 3.56Å; E178-R182 IonicContact OE1-NE 2.9Å; E178-R182 PolarHBondContact OE1-NE 3.31Å; E178-R182 IonicContact OE1-NH2 3.6Å; E178-R182 PolarHBondContact OE1-NH2 3.35Å |
| 179 | Q | 76.1 | Confident | 79.9 | Confident | 6 Ų | 6 | 53.8 Ų | 53.8 | 3% | 0.028 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70 | -40.3 | 178.4 | -65.9 | -34.5 | -47.8 | 0 | 0 | 113.5 | L135 D139 G175 G176 A177 F181 R182 N183 | L135-Q179 HydrophobicContact CD2-CG 4.16Å; D139-Q179 WeakPolarHBondContact OD1-CB 3.32Å; D139-Q179 WeakPolarHBondContact OD1-CG 3.47Å; D139-Q179 PolarHBondContact OD1-OE1 3.18Å; G175-Q179 WeakPolarHBondContact O-CG 3.41Å; G175-Q179 PolarHBondContact O-N 3.4Å; G176-Q179 PolarHBondContact O-N 3.09Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; A177-Q179 PolarHBondContact O-N 3.29Å; Q179-F181 PolarHBondContact O-N 3.1Å; Q179-R182 PolarHBondContact O-N 3.47Å; Q179-N183 WeakPolarHBondContact O-CB 3.34Å; Q179-N183 PolarHBondContact O-N 2.94Å; Q179-N183 VanDerWaalsContact O-N 3.09Å; Q179-N183 PolarHBondContact O-ND2 3.42Å |
| 180 | I | 81.6 | Confident | 80 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.9 | -42.1 | 174.6 | -66.4 | 164.9 | 0 | 0 | 0 | 109.8 | V142 F146 L167 L170 G176 A177 G185 I189 T207 L211 | V142-I180 HydrophobicContact CG1-CG1 3.91Å; V142-I180 HydrophobicContact CG2-CG1 4.22Å; F146-I180 HydrophobicContact CE2-CG2 4.18Å; F146-I180 HydrophobicContact CZ-CG2 4.02Å; L167-I180 HydrophobicContact CD1-CD1 3.73Å; L167-I180 HydrophobicContact CD1-CG1 4.04Å; L167-I180 HydrophobicContact CG-CD1 4.41Å; L170-I180 HydrophobicContact CB-CD1 4.4Å; G176-I180 WeakPolarHBondContact O-CG1 3.48Å; G176-I180 PolarHBondContact O-N 2.97Å; A177-I180 PolarHBondContact O-N 2.49Å; I180-G185 WeakPolarHBondContact O-CA 3.49Å; I180-G185 PolarHBondContact O-N 3.35Å; I180-I189 HydrophobicContact CG2-CD1 4.44Å; I180-T207 HydrophobicContact CD1-CG2 4.27Å; I180-T207 HydrophobicContact CG2-CG2 4.48Å; I180-L211 HydrophobicContact CB-CD2 3.95Å; I180-L211 HydrophobicContact CD1-CD2 4.46Å; I180-L211 HydrophobicContact CG2-CD1 3.9Å; I180-L211 HydrophobicContact CG2-CD2 3.98Å; I180-L211 HydrophobicContact CG2-CG 4.48Å |
| 181 | F | 81.9 | Confident | 80 | Confident | 66 Ų | 66 | 57.2 Ų | 57.2 | 29% | 0.289 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.4 | -40.9 | 179.5 | -171.1 | -97.2 | 0 | 0 | 0 | 112.9 | A177 E178 Q179 V186 R218 A221 I222 | A177-F181 WeakPolarHBondContact O-CB 3.4Å; A177-F181 PolarHBondContact O-N 3.02Å; A177-F181 VanDerWaalsContact O-N 3.09Å; E178-F181 PolarHBondContact O-N 3.05Å; Q179-F181 PolarHBondContact O-N 3.1Å; F181-V186 HydrophobicContact CD2-CG2 3.82Å; F181-V186 HydrophobicContact CE2-CG2 4.03Å; F181-R218 HydrophobicContact CD2-CB 4.46Å; F181-R218 HydrophobicContact CD2-CG 4.33Å; F181-R218 HydrophobicContact CE2-CB 4.38Å; F181-R218 HydrophobicContact CE2-CG 4.46Å; F181-R218 HydrophobicContact CG-CG 4.38Å; F181-A221 HydrophobicContact CE2-CB 3.95Å; F181-A221 HydrophobicContact CZ-CB 3.61Å; F181-I222 HydrophobicContact CE2-CG1 4.19Å |
| 182 | R | 79.7 | Confident | 80 | Confident | 157 Ų | 157 | 57.4 Ų | 57.4 | 59% | 0.592 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -68.6 | -33.1 | 179.5 | -73.5 | 176.8 | -178 | -159.1 | 1.6 | 113.7 | E178 Q179 D184 | E178-R182 WeakPolarHBondContact O-CG 3.37Å; E178-R182 PolarHBondContact O-N 3.44Å; E178-R182 IonicContact OE1-CZ 3.56Å; E178-R182 IonicContact OE1-NE 2.9Å; E178-R182 PolarHBondContact OE1-NE 3.31Å; E178-R182 IonicContact OE1-NH2 3.6Å; E178-R182 PolarHBondContact OE1-NH2 3.35Å; Q179-R182 PolarHBondContact O-N 3.47Å; R182-D184 VanDerWaalsContact C-N 3.25Å; R182-D184 PolarHBondContact O-N 3.46Å |
| 183 | N | 77.2 | Confident | 80.1 | Confident | 44 Ų | 44 | 48.9 Ų | 48.9 | 24% | 0.235 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 35.7 | -176.3 | -71.2 | -48.8 | 0 | 0 | 0 | 113.6 | D139 Q179 G185 | D139-N183 PolarHBondContact OD1-ND2 2.98Å; Q179-N183 WeakPolarHBondContact O-CB 3.34Å; Q179-N183 PolarHBondContact O-N 2.94Å; Q179-N183 VanDerWaalsContact O-N 3.09Å; Q179-N183 PolarHBondContact O-ND2 3.42Å; N183-G185 PolarHBondContact O-N 3.46Å |
| 184 | D | 78.1 | Confident | 80.2 | Confident | 93 Ų | 93 | 48.7 Ų | 48.7 | 50% | 0.497 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 25.2 | -175 | -78.3 | -58.2 | 0 | 0 | 0 | 113.8 | R182 V186 K187 L188 | R182-D184 VanDerWaalsContact C-N 3.25Å; R182-D184 PolarHBondContact O-N 3.46Å; D184-V186 PolarHBondContact O-N 3.02Å; D184-V186 VanDerWaalsContact O-N 3.12Å; D184-K187 HydrophobicContact CB-CD 4.5Å; D184-K187 PolarHBondContact O-N 2.92Å; D184-K187 VanDerWaalsContact O-N 3.14Å; D184-K187 IonicContact OD1-NZ 3.46Å; D184-K187 PolarHBondContact OD1-NZ 2.95Å; D184-L188 PolarHBondContact O-N 3.28Å |
| 185 | G | 79.4 | Confident | 80.7 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61 | -28.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | I180 N183 L188 I189 | I180-G185 WeakPolarHBondContact O-CA 3.49Å; I180-G185 PolarHBondContact O-N 3.35Å; N183-G185 PolarHBondContact O-N 3.46Å; G185-L188 PolarHBondContact O-N 3.37Å; G185-I189 WeakPolarHBondContact O-CB 3.34Å; G185-I189 WeakPolarHBondContact O-CD1 3.38Å; G185-I189 WeakPolarHBondContact O-CG1 3.4Å; G185-I189 PolarHBondContact O-N 3.29Å |
| 186 | V | 83.6 | Confident | 80.8 | Confident | 3 Ų | 3 | 53.7 Ų | 53.7 | 2% | 0.018 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.5 | -45.2 | 177.3 | -174.8 | 0 | 0 | 0 | 0 | 111.3 | F181 D184 L188 I189 Q190 I222 E225 L226 | F181-V186 HydrophobicContact CD2-CG2 3.82Å; F181-V186 HydrophobicContact CE2-CG2 4.03Å; D184-V186 PolarHBondContact O-N 3.02Å; D184-V186 VanDerWaalsContact O-N 3.12Å; V186-L188 VanDerWaalsContact C-N 3.33Å; V186-L188 PolarHBondContact O-N 3.44Å; V186-I189 PolarHBondContact O-N 3.02Å; V186-Q190 PolarHBondContact O-N 3.36Å; V186-I222 HydrophobicContact CG1-CG1 4.23Å; V186-I222 HydrophobicContact CG2-CG1 3.88Å; V186-E225 WeakPolarHBondContact CB-OE2 3.43Å; V186-E225 HydrophobicContact CG1-CB 4.26Å; V186-E225 HydrophobicContact CG1-CG 4.09Å; V186-E225 VanDerWaalsContact CG1-OE2 3.31Å; V186-E225 WeakPolarHBondContact CG1-OE2 3.47Å; V186-L226 HydrophobicContact CG1-CD1 3.42Å; V186-L226 VanDerWaalsContact CG1-CD1 3.42Å |
| 187 | K | 84.6 | Confident | 80.9 | Confident | 96 Ų | 96 | 58.6 Ų | 58.6 | 42% | 0.417 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.4 | -38.8 | 174.8 | -61.3 | -179.1 | -175.3 | 140.6 | 0 | 112.3 | D184 Q190 K191 E225 | D184-K187 HydrophobicContact CB-CD 4.5Å; D184-K187 PolarHBondContact O-N 2.92Å; D184-K187 VanDerWaalsContact O-N 3.14Å; D184-K187 IonicContact OD1-NZ 3.46Å; D184-K187 PolarHBondContact OD1-NZ 2.95Å; K187-Q190 WeakPolarHBondContact O-CB 3.49Å; K187-Q190 PolarHBondContact O-N 3Å; K187-K191 PolarHBondContact O-N 3.43Å; K187-E225 WeakPolarHBondContact CE-OE1 3.37Å; K187-E225 WeakPolarHBondContact CG-OE1 3.42Å |
| 188 | L | 82.3 | Confident | 80.9 | Confident | 41 Ų | 41 | 63.7 Ų | 63.7 | 22% | 0.215 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.4 | -42.9 | 177.2 | -59.7 | 178.8 | 0 | 0 | 0 | 110.3 | F146 L150 D184 G185 V186 Q190 K191 L192 | F146-L188 HydrophobicContact CB-CD1 3.92Å; F146-L188 HydrophobicContact CD1-CB 3.81Å; F146-L188 HydrophobicContact CD1-CD1 3.95Å; F146-L188 HydrophobicContact CD2-CD1 3.93Å; F146-L188 HydrophobicContact CE1-CB 3.88Å; F146-L188 HydrophobicContact CE1-CD1 4.45Å; F146-L188 HydrophobicContact CE2-CD1 4.42Å; F146-L188 HydrophobicContact CG-CB 4.41Å; F146-L188 HydrophobicContact CG-CD1 3.67Å; L150-L188 HydrophobicContact CD1-CB 4.34Å; L150-L188 HydrophobicContact CD1-CD2 3.75Å; L150-L188 HydrophobicContact CD1-CG 4.44Å; D184-L188 PolarHBondContact O-N 3.28Å; G185-L188 PolarHBondContact O-N 3.37Å; V186-L188 VanDerWaalsContact C-N 3.33Å; V186-L188 PolarHBondContact O-N 3.44Å; L188-Q190 VanDerWaalsContact C-N 3.32Å; L188-Q190 PolarHBondContact O-N 3.36Å; L188-K191 WeakPolarHBondContact O-CB 3.35Å; L188-K191 PolarHBondContact O-N 3.04Å; L188-L192 WeakPolarHBondContact O-CG 3.47Å; L188-L192 PolarHBondContact O-N 3.18Å; L188-L192 VanDerWaalsContact O-N 3.16Å |
| 189 | I | 84.5 | Confident | 81 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.8 | -36.9 | 175.3 | -63.7 | 160.5 | 0 | 0 | 0 | 111.2 | F146 I180 G185 V186 K191 L192 L193 T207 L208 L211 | F146-I189 HydrophobicContact CE1-CG1 3.99Å; F146-I189 HydrophobicContact CZ-CD1 4.48Å; F146-I189 HydrophobicContact CZ-CG1 4.21Å; I180-I189 HydrophobicContact CG2-CD1 4.44Å; G185-I189 WeakPolarHBondContact O-CB 3.34Å; G185-I189 WeakPolarHBondContact O-CD1 3.38Å; G185-I189 WeakPolarHBondContact O-CG1 3.4Å; G185-I189 PolarHBondContact O-N 3.29Å; V186-I189 PolarHBondContact O-N 3.02Å; I189-K191 PolarHBondContact O-N 3.18Å; I189-L192 CarbonylContact O-C 3.36Å; I189-L192 WeakPolarHBondContact O-CA 3.37Å; I189-L192 WeakPolarHBondContact O-CB 3.42Å; I189-L192 PolarHBondContact O-N 3.29Å; I189-L193 HydrophobicContact CG2-CG 4.29Å; I189-L193 WeakPolarHBondContact O-CG 3.43Å; I189-L193 PolarHBondContact O-N 2.92Å; I189-T207 HydrophobicContact CD1-CG2 3.76Å; I189-L208 HydrophobicContact CB-CD2 4.38Å; I189-L208 HydrophobicContact CD1-CD2 3.88Å; I189-L208 HydrophobicContact CD1-CG 4.3Å; I189-L208 HydrophobicContact CG2-CD1 3.8Å; I189-L208 HydrophobicContact CG2-CD2 4.03Å; I189-L208 HydrophobicContact CG2-CG 3.74Å; I189-L211 HydrophobicContact CD1-CD1 4.08Å |
| 190 | Q | 85.5 | Confident | 81.2 | Confident | 60 Ų | 60 | 65 Ų | 65 | 28% | 0.28 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -56.9 | -38 | 174.2 | -168 | -178 | 16.2 | 0 | 0 | 112.1 | V186 K187 L188 L193 S194 | V186-Q190 PolarHBondContact O-N 3.36Å; K187-Q190 WeakPolarHBondContact O-CB 3.49Å; K187-Q190 PolarHBondContact O-N 3Å; L188-Q190 VanDerWaalsContact C-N 3.32Å; L188-Q190 PolarHBondContact O-N 3.36Å; Q190-L193 PolarHBondContact O-N 3.1Å; Q190-S194 PolarHBondContact O-N 3.45Å |
| 191 | K | 83.2 | Confident | 81.3 | Confident | 129 Ų | 129 | 65.4 Ų | 65.4 | 56% | 0.561 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -69.2 | -31.1 | 172.5 | -64.3 | 175.8 | -178.3 | 177.8 | 0 | 112.9 | L150 K187 L188 I189 S194 | L150-K191 HydrophobicContact CD2-CB 4.16Å; K187-K191 PolarHBondContact O-N 3.43Å; L188-K191 WeakPolarHBondContact O-CB 3.35Å; L188-K191 PolarHBondContact O-N 3.04Å; I189-K191 PolarHBondContact O-N 3.18Å; K191-S194 PolarHBondContact O-OG 2.94Å |
| 192 | L | 82 | Confident | 81.4 | Confident | 5 Ų | 5 | 63.1 Ų | 63.1 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -70.1 | -36.1 | 174.4 | -60.5 | 178.1 | 0 | 0 | 0 | 111.5 | F146 L149 L150 L188 I189 S194 S195 V200 | F146-L192 HydrophobicContact CE1-CD1 4.45Å; L149-L192 HydrophobicContact CB-CD2 4.13Å; L149-L192 HydrophobicContact CD1-CD1 4.35Å; L150-L192 HydrophobicContact CD2-CD2 3.67Å; L150-L192 HydrophobicContact CD2-CG 4.35Å; L150-L192 HydrophobicContact CG-CD2 4.3Å; L188-L192 WeakPolarHBondContact O-CG 3.47Å; L188-L192 PolarHBondContact O-N 3.18Å; L188-L192 VanDerWaalsContact O-N 3.16Å; I189-L192 CarbonylContact O-C 3.36Å; I189-L192 WeakPolarHBondContact O-CA 3.37Å; I189-L192 WeakPolarHBondContact O-CB 3.42Å; I189-L192 PolarHBondContact O-N 3.29Å; L192-S194 VanDerWaalsContact C-N 3.28Å; L192-S194 PolarHBondContact O-N 3.2Å; L192-S195 WeakPolarHBondContact O-CB 3.35Å; L192-S195 PolarHBondContact O-N 3.42Å; L192-S195 VanDerWaalsContact O-N 3.14Å; L192-V200 HydrophobicContact CB-CG1 3.98Å; L192-V200 HydrophobicContact CD2-CG1 3.67Å; L192-V200 HydrophobicContact CG-CG1 4.3Å |
| 193 | L | 83.1 | Confident | 81.6 | Confident | 10 Ų | 10 | 56.5 Ų | 56.5 | 5% | 0.052 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.4 | -24.2 | 178.7 | -65.8 | -179.4 | 0 | 0 | 0 | 113.6 | I189 Q190 S195 V201 L205 L208 L226 | I189-L193 HydrophobicContact CG2-CG 4.29Å; I189-L193 WeakPolarHBondContact O-CG 3.43Å; I189-L193 PolarHBondContact O-N 2.92Å; Q190-L193 PolarHBondContact O-N 3.1Å; L193-S195 VanDerWaalsContact C-N 3.31Å; L193-V201 HydrophobicContact CD2-CG1 4.07Å; L193-L205 HydrophobicContact CD2-CD2 3.64Å; L193-L205 HydrophobicContact CD2-CG 3.67Å; L193-L208 HydrophobicContact CD1-CD1 4.02Å; L193-L226 HydrophobicContact CD1-CD2 3.41Å; L193-L226 VanDerWaalsContact CD1-CD2 3.41Å |
| 194 | S | 82.4 | Confident | 82 | Confident | 90 Ų | 90 | 54.4 Ų | 54.4 | 63% | 0.629 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | 0.3 | 173.9 | 59.8 | 0 | 0 | 0 | 0 | 113.6 | Q190 K191 L192 | Q190-S194 PolarHBondContact O-N 3.45Å; K191-S194 PolarHBondContact O-OG 2.94Å; L192-S194 VanDerWaalsContact C-N 3.28Å; L192-S194 PolarHBondContact O-N 3.2Å |
| 195 | S | 81.5 | Confident | 82.5 | Confident | 45 Ų | 45 | 50 Ų | 50 | 32% | 0.315 | 25% | 0.25 | S | S | . | . | trans | -68.7 | 150.7 | 175.2 | -173.9 | 0 | 0 | 0 | 0 | 111.8 | L192 L193 Q197 V201 | L192-S195 WeakPolarHBondContact O-CB 3.35Å; L192-S195 PolarHBondContact O-N 3.42Å; L192-S195 VanDerWaalsContact O-N 3.14Å; L193-S195 VanDerWaalsContact C-N 3.31Å; S195-Q197 VanDerWaalsContact C-N 3.32Å; S195-Q197 PolarHBondContact OG-N 2.94Å; S195-V201 WeakPolarHBondContact O-CG2 3.31Å | ||
| 196 | K | 73.7 | Confident | 82.8 | Confident | 210 Ų | 210 | 55.8 Ų | 55.8 | 91% | 0.913 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -80.3 | -11.3 | 173.6 | -66.2 | -172.8 | 178.3 | -176.5 | 0 | 113.4 | ||
| 197 | Q | 79.6 | Confident | 82.9 | Confident | 105 Ų | 105 | 55.7 Ų | 55.7 | 49% | 0.491 | 27% | 0.271 | S | S | . | . | trans | -87.5 | 115.2 | -178.3 | -69.8 | -177.9 | -15.7 | 0 | 0 | 111.2 | S195 D199 V200 V201 | S195-Q197 VanDerWaalsContact C-N 3.32Å; S195-Q197 PolarHBondContact OG-N 2.94Å; Q197-D199 VanDerWaalsContact C-N 3.34Å; Q197-D199 PolarHBondContact O-N 3.23Å; Q197-V200 HydrophobicContact CB-CB 4.21Å; Q197-V200 HydrophobicContact CB-CG2 3.97Å; Q197-V200 PolarHBondContact O-N 2.97Å; Q197-V201 WeakPolarHBondContact O-CG2 3.37Å; Q197-V201 PolarHBondContact O-N 2.74Å; Q197-V201 VanDerWaalsContact O-N 3.16Å | ||
| 198 | E | 81.4 | Confident | 83.1 | Confident | 107 Ų | 107 | 51.1 Ų | 51.1 | 50% | 0.5 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -57.1 | -43.1 | -177.9 | -63.4 | -177.7 | -173.8 | 0 | 0 | 112.9 | V200 V201 L202 V242 | E198-V200 VanDerWaalsContact C-N 3.27Å; E198-V200 PolarHBondContact O-N 3.27Å; E198-V201 PolarHBondContact O-N 3.16Å; E198-L202 WeakPolarHBondContact O-CB 3.28Å; E198-L202 VanDerWaalsContact O-CG 3.26Å; E198-L202 WeakPolarHBondContact O-CG 3.38Å; E198-L202 PolarHBondContact O-N 3.45Å; E198-V242 HydrophobicContact CB-CG2 4.27Å; E198-V242 HydrophobicContact CG-CG2 4.36Å |
| 199 | D | 79.4 | Confident | 83.3 | Confident | 91 Ų | 91 | 50.1 Ų | 50.1 | 49% | 0.487 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.2 | -37.1 | 179.8 | -74.5 | -21.6 | 0 | 0 | 0 | 112.8 | K161 Q197 S203 | K161-D199 WeakPolarHBondContact CE-OD2 3.41Å; Q197-D199 VanDerWaalsContact C-N 3.34Å; Q197-D199 PolarHBondContact O-N 3.23Å; D199-S203 WeakPolarHBondContact O-CB 3.24Å; D199-S203 PolarHBondContact O-N 3.12Å; D199-S203 VanDerWaalsContact O-N 3.09Å; D199-S203 PolarHBondContact O-OG 2.97Å |
| 200 | V | 81.1 | Confident | 83.3 | Confident | 12 Ų | 12 | 50.4 Ų | 50.4 | 7% | 0.073 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -74.2 | -43 | -179.7 | 176.6 | 0 | 0 | 0 | 0 | 110.3 | L192 Q197 E198 S203 G204 | L192-V200 HydrophobicContact CB-CG1 3.98Å; L192-V200 HydrophobicContact CD2-CG1 3.67Å; L192-V200 HydrophobicContact CG-CG1 4.3Å; Q197-V200 HydrophobicContact CB-CB 4.21Å; Q197-V200 HydrophobicContact CB-CG2 3.97Å; Q197-V200 PolarHBondContact O-N 2.97Å; E198-V200 VanDerWaalsContact C-N 3.27Å; E198-V200 PolarHBondContact O-N 3.27Å; V200-S203 PolarHBondContact O-N 2.99Å; V200-G204 PolarHBondContact O-N 2.94Å |
| 201 | V | 84 | Confident | 83.2 | Confident | 10 Ų | 10 | 47.6 Ų | 47.6 | 6% | 0.061 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.9 | -45.6 | 175.2 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | L193 S195 Q197 E198 S203 G204 L205 V234 V242 | L193-V201 HydrophobicContact CD2-CG1 4.07Å; S195-V201 WeakPolarHBondContact O-CG2 3.31Å; Q197-V201 WeakPolarHBondContact O-CG2 3.37Å; Q197-V201 PolarHBondContact O-N 2.74Å; Q197-V201 VanDerWaalsContact O-N 3.16Å; E198-V201 PolarHBondContact O-N 3.16Å; V201-S203 VanDerWaalsContact C-N 3.29Å; V201-S203 PolarHBondContact O-N 3.28Å; V201-G204 PolarHBondContact O-N 3.15Å; V201-L205 HydrophobicContact CG1-CD1 4.06Å; V201-L205 HydrophobicContact CG1-CG 4.43Å; V201-L205 WeakPolarHBondContact O-CG 3.42Å; V201-L205 PolarHBondContact O-N 3.49Å; V201-V234 HydrophobicContact CG1-CG1 4.22Å; V201-V242 HydrophobicContact CG1-CG1 3.74Å |
| 202 | L | 83.8 | Confident | 83.3 | Confident | 17 Ų | 17 | 41.4 Ų | 41.4 | 9% | 0.089 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.7 | -41.5 | 176.7 | -75.2 | 173.4 | 0 | 0 | 0 | 112.2 | E198 L205 R206 T241 V242 A245 | E198-L202 WeakPolarHBondContact O-CB 3.28Å; E198-L202 VanDerWaalsContact O-CG 3.26Å; E198-L202 WeakPolarHBondContact O-CG 3.38Å; E198-L202 PolarHBondContact O-N 3.45Å; L202-L205 PolarHBondContact O-N 3.13Å; L202-R206 WeakPolarHBondContact O-CB 3.35Å; L202-R206 VanDerWaalsContact O-CG 3.24Å; L202-R206 WeakPolarHBondContact O-CG 3.23Å; L202-R206 PolarHBondContact O-N 3.36Å; L202-T241 WeakPolarHBondContact CD2-O 3.3Å; L202-V242 HydrophobicContact CD2-CG2 4.21Å; L202-V242 HydrophobicContact CG-CG2 4.22Å; L202-A245 HydrophobicContact CD2-CB 3.62Å |
| 203 | S | 83.3 | Confident | 83.2 | Confident | 18 Ų | 18 | 44.9 Ų | 44.9 | 13% | 0.126 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -70.2 | -38.6 | 179.4 | -58 | 0 | 0 | 0 | 0 | 111.9 | A164 D199 V200 V201 R206 T207 | A164-S203 WeakPolarHBondContact CB-OG 3.38Å; D199-S203 WeakPolarHBondContact O-CB 3.24Å; D199-S203 PolarHBondContact O-N 3.12Å; D199-S203 VanDerWaalsContact O-N 3.09Å; D199-S203 PolarHBondContact O-OG 2.97Å; V200-S203 PolarHBondContact O-N 2.99Å; V201-S203 VanDerWaalsContact C-N 3.29Å; V201-S203 PolarHBondContact O-N 3.28Å; S203-R206 PolarHBondContact O-N 3.43Å; S203-T207 WeakPolarHBondContact O-CB 3.32Å; S203-T207 PolarHBondContact O-N 3.48Å; S203-T207 PolarHBondContact O-OG1 3.25Å |
| 204 | G | 86.3 | Confident | 82.7 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59 | -50.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112 | V200 V201 R206 T207 L208 | V200-G204 PolarHBondContact O-N 2.94Å; V201-G204 PolarHBondContact O-N 3.15Å; G204-R206 PolarHBondContact O-N 3.5Å; G204-T207 WeakPolarHBondContact O-CB 3.32Å; G204-T207 PolarHBondContact O-N 3.28Å; G204-L208 WeakPolarHBondContact O-CG 3.41Å; G204-L208 PolarHBondContact O-N 3.29Å |
| 205 | L | 87.1 | Confident | 82.6 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.1 | -45.2 | 177.3 | -69.3 | 171.2 | 0 | 0 | 0 | 112.3 | L193 V201 L202 T207 L208 V209 V234 V242 A245 A246 L249 | L193-L205 HydrophobicContact CD2-CD2 3.64Å; L193-L205 HydrophobicContact CD2-CG 3.67Å; V201-L205 HydrophobicContact CG1-CD1 4.06Å; V201-L205 HydrophobicContact CG1-CG 4.43Å; V201-L205 WeakPolarHBondContact O-CG 3.42Å; V201-L205 PolarHBondContact O-N 3.49Å; L202-L205 PolarHBondContact O-N 3.13Å; L205-T207 VanDerWaalsContact C-N 3.32Å; L205-T207 PolarHBondContact O-N 3.01Å; L205-L208 PolarHBondContact O-N 3.32Å; L205-V209 WeakPolarHBondContact O-CG2 3.39Å; L205-V209 PolarHBondContact O-N 3.05Å; L205-V234 HydrophobicContact CD1-CG1 4.09Å; L205-V234 HydrophobicContact CD2-CG1 4.33Å; L205-V242 HydrophobicContact CD1-CG1 4.13Å; L205-A245 HydrophobicContact CB-CB 4.25Å; L205-A245 HydrophobicContact CD1-CB 3.82Å; L205-A246 HydrophobicContact CD1-CB 4.13Å; L205-A246 HydrophobicContact CD2-CB 4.29Å; L205-L249 HydrophobicContact CD2-CD2 3.79Å |
| 206 | R | 86.5 | Confident | 82.4 | Confident | 122 Ų | 122 | 46.4 Ų | 46.4 | 46% | 0.46 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.7 | -32.7 | 177.1 | -73.8 | 171.5 | -178.3 | 166.4 | 4.3 | 113.2 | V168 L202 S203 G204 V209 G210 | V168-R206 HydrophobicContact CG1-CB 4.09Å; V168-R206 HydrophobicContact CG2-CB 3.67Å; L202-R206 WeakPolarHBondContact O-CB 3.35Å; L202-R206 VanDerWaalsContact O-CG 3.24Å; L202-R206 WeakPolarHBondContact O-CG 3.23Å; L202-R206 PolarHBondContact O-N 3.36Å; S203-R206 PolarHBondContact O-N 3.43Å; G204-R206 PolarHBondContact O-N 3.5Å; R206-V209 WeakPolarHBondContact O-CB 3.45Å; R206-V209 PolarHBondContact O-N 3.14Å; R206-G210 PolarHBondContact O-N 3.48Å |
| 207 | T | 86.6 | Confident | 82.7 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.7 | -46 | 174.2 | -56.6 | 0 | 0 | 0 | 0 | 109.9 | L167 I180 I189 S203 G204 L205 V209 G210 L211 | L167-T207 HydrophobicContact CD2-CG2 3.94Å; L167-T207 HydrophobicContact CG-CG2 3.82Å; I180-T207 HydrophobicContact CD1-CG2 4.27Å; I180-T207 HydrophobicContact CG2-CG2 4.48Å; I189-T207 HydrophobicContact CD1-CG2 3.76Å; S203-T207 WeakPolarHBondContact O-CB 3.32Å; S203-T207 PolarHBondContact O-N 3.48Å; S203-T207 PolarHBondContact O-OG1 3.25Å; G204-T207 WeakPolarHBondContact O-CB 3.32Å; G204-T207 PolarHBondContact O-N 3.28Å; L205-T207 VanDerWaalsContact C-N 3.32Å; L205-T207 PolarHBondContact O-N 3.01Å; T207-V209 VanDerWaalsContact C-N 3.27Å; T207-V209 PolarHBondContact O-N 3.37Å; T207-G210 PolarHBondContact O-N 3.28Å; T207-G210 VanDerWaalsContact O-N 3.12Å; T207-L211 WeakPolarHBondContact O-CG 3.47Å; T207-L211 PolarHBondContact O-N 3.41Å; T207-L211 VanDerWaalsContact O-N 3.08Å |
| 208 | L | 88.3 | Confident | 82.9 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.3 | -38.4 | 175.1 | -67.3 | 171.9 | 0 | 0 | 0 | 112.2 | I189 L193 G204 L205 G210 L211 C212 I222 L226 L249 | I189-L208 HydrophobicContact CB-CD2 4.38Å; I189-L208 HydrophobicContact CD1-CD2 3.88Å; I189-L208 HydrophobicContact CD1-CG 4.3Å; I189-L208 HydrophobicContact CG2-CD1 3.8Å; I189-L208 HydrophobicContact CG2-CD2 4.03Å; I189-L208 HydrophobicContact CG2-CG 3.74Å; L193-L208 HydrophobicContact CD1-CD1 4.02Å; G204-L208 WeakPolarHBondContact O-CG 3.41Å; G204-L208 PolarHBondContact O-N 3.29Å; L205-L208 PolarHBondContact O-N 3.32Å; L208-G210 VanDerWaalsContact C-N 3.33Å; L208-G210 PolarHBondContact O-N 2.99Å; L208-L211 HydrophobicContact CD2-CD1 4.27Å; L208-L211 PolarHBondContact O-N 3.33Å; L208-C212 PolarHBondContact O-N 2.9Å; L208-C212 PolarHBondContact O-SG 3.43Å; L208-C212 VanDerWaalsContact O-SG 3.39Å; L208-I222 HydrophobicContact CD2-CG2 4.09Å; L208-L226 HydrophobicContact CD1-CD2 3.93Å; L208-L226 HydrophobicContact CD2-CD1 4.49Å; L208-L249 HydrophobicContact CB-CD1 3.51Å; L208-L249 HydrophobicContact CB-CD2 3.86Å; L208-L249 HydrophobicContact CB-CG 4.35Å; L208-L249 HydrophobicContact CD1-CD2 3.69Å; L208-L249 HydrophobicContact CG-CD2 4.44Å |
| 209 | V | 86.5 | Confident | 83 | Confident | 20 Ų | 20 | 30.5 Ų | 30.5 | 12% | 0.121 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -55.1 | -49.4 | 173.9 | 162.6 | 0 | 0 | 0 | 0 | 110.8 | L205 R206 T207 L211 C212 T213 H248 L249 V252 | L205-V209 WeakPolarHBondContact O-CG2 3.39Å; L205-V209 PolarHBondContact O-N 3.05Å; R206-V209 WeakPolarHBondContact O-CB 3.45Å; R206-V209 PolarHBondContact O-N 3.14Å; T207-V209 VanDerWaalsContact C-N 3.27Å; T207-V209 PolarHBondContact O-N 3.37Å; V209-L211 VanDerWaalsContact C-N 3.33Å; V209-L211 PolarHBondContact O-N 3.05Å; V209-C212 PolarHBondContact O-N 3.23Å; V209-T213 PolarHBondContact O-N 2.87Å; V209-T213 PolarHBondContact O-OG1 2.9Å; V209-H248 VanDerWaalsContact CG1-CE1 3.48Å; V209-H248 WeakPolarHBondContact CG1-CE1 3.18Å; V209-H248 WeakPolarHBondContact CG2-ND1 3.31Å; V209-L249 HydrophobicContact CG2-CB 3.96Å; V209-L249 HydrophobicContact CG2-CD1 3.94Å; V209-V252 HydrophobicContact CG1-CG2 4.23Å |
| 210 | G | 83.5 | Confident | 83.1 | Confident | 7 Ų | 7 | 26.4 Ų | 26.4 | 7% | 0.072 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.1 | -41.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | S171 R206 T207 L208 C212 | S171-G210 CarbonylContact O-C 3.55Å; S171-G210 VanDerWaalsContact O-CA 3.24Å; S171-G210 WeakPolarHBondContact O-CA 3.49Å; R206-G210 PolarHBondContact O-N 3.48Å; T207-G210 PolarHBondContact O-N 3.28Å; T207-G210 VanDerWaalsContact O-N 3.12Å; L208-G210 VanDerWaalsContact C-N 3.33Å; L208-G210 PolarHBondContact O-N 2.99Å; G210-C212 PolarHBondContact O-N 2.91Å |
| 211 | L | 84.6 | Confident | 83.2 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.1 | -38.9 | 177.3 | -60.4 | -179.9 | 0 | 0 | 0 | 113.1 | A177 I180 I189 T207 L208 V209 R218 I222 | A177-L211 HydrophobicContact CB-CD2 3.76Å; A177-L211 VanDerWaalsContact O-CD2 3.28Å; A177-L211 WeakPolarHBondContact O-CD2 3.38Å; I180-L211 HydrophobicContact CB-CD2 3.95Å; I180-L211 HydrophobicContact CD1-CD2 4.46Å; I180-L211 HydrophobicContact CG2-CD1 3.9Å; I180-L211 HydrophobicContact CG2-CD2 3.98Å; I180-L211 HydrophobicContact CG2-CG 4.48Å; I189-L211 HydrophobicContact CD1-CD1 4.08Å; T207-L211 WeakPolarHBondContact O-CG 3.47Å; T207-L211 PolarHBondContact O-N 3.41Å; T207-L211 VanDerWaalsContact O-N 3.08Å; L208-L211 HydrophobicContact CD2-CD1 4.27Å; L208-L211 PolarHBondContact O-N 3.33Å; V209-L211 VanDerWaalsContact C-N 3.33Å; V209-L211 PolarHBondContact O-N 3.05Å; L211-R218 PolarHBondContact O-NE 2.81Å; L211-R218 PolarHBondContact O-NH2 2.85Å; L211-I222 HydrophobicContact CB-CD1 3.83Å; L211-I222 HydrophobicContact CD1-CD1 4.35Å |
| 212 | C | 83.8 | Confident | 83.3 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -80 | -28.4 | -177.8 | -69 | 0 | 0 | 0 | 0 | 113.4 | L208 V209 G210 G214 H215 T219 V252 M253 | L208-C212 PolarHBondContact O-N 2.9Å; L208-C212 PolarHBondContact O-SG 3.43Å; L208-C212 VanDerWaalsContact O-SG 3.39Å; V209-C212 PolarHBondContact O-N 3.23Å; G210-C212 PolarHBondContact O-N 2.91Å; C212-G214 PolarHBondContact O-N 3Å; C212-G214 VanDerWaalsContact O-N 3.11Å; C212-H215 PolarHBondContact O-N 3.41Å; C212-T219 WeakPolarHBondContact CA-OG1 3.44Å; C212-T219 WeakPolarHBondContact CB-OG1 3.44Å; C212-T219 PolarHBondContact O-OG1 3.26Å; C212-V252 HydrophobicContact CB-CG1 3.85Å; C212-M253 HydrophobicContact CB-CG 4.37Å |
| 213 | T | 81.6 | Confident | 83.4 | Confident | 77 Ų | 77 | 26.2 Ų | 26.2 | 47% | 0.472 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 116.7 | -173.7 | -59.5 | 0 | 0 | 0 | 0 | 111.2 | V209 H215 | V209-T213 PolarHBondContact O-N 2.87Å; V209-T213 PolarHBondContact O-OG1 2.9Å; T213-H215 VanDerWaalsContact C-N 3.29Å; T213-H215 PolarHBondContact O-CD2 2.66Å; T213-H215 PolarHBondContact O-N 3.28Å |
| 214 | G | 71.8 | Confident | 83.4 | Confident | 57 Ų | 57 | 29.9 Ų | 29.9 | 59% | 0.588 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | 4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | C212 | C212-G214 PolarHBondContact O-N 3Å; C212-G214 VanDerWaalsContact O-N 3.11Å |
| 215 | H | 79.4 | Confident | 83.3 | Confident | 54 Ų | 54 | 33 Ų | 33 | 25% | 0.25 | 19% | 0.189 | C | C | . | . | trans | -129.5 | 108.2 | -177.3 | -69.5 | -91 | 0 | 0 | 0 | 113.4 | E174 C212 T213 R218 T219 | E174-H215 IonicContact OE1-CE1 3.63Å; E174-H215 PolarHBondContact OE1-CE1 3.42Å; E174-H215 IonicContact OE1-NE2 2.77Å; C212-H215 PolarHBondContact O-N 3.41Å; T213-H215 VanDerWaalsContact C-N 3.29Å; T213-H215 PolarHBondContact O-CD2 2.66Å; T213-H215 PolarHBondContact O-N 3.28Å; H215-R218 HydrophobicContact CB-CB 4.28Å; H215-R218 HydrophobicContact CB-CG 4.33Å; H215-R218 PolarHBondContact CD2-NH2 3.23Å; H215-T219 WeakPolarHBondContact O-CB 3.35Å; H215-T219 PolarHBondContact O-N 2.83Å; H215-T219 PolarHBondContact O-OG1 3.5Å | ||
| 216 | Q | 79.1 | Confident | 83.1 | Confident | 66 Ų | 66 | 33.4 Ų | 33.4 | 31% | 0.308 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -68.1 | -44.8 | -178.6 | -170.5 | -177.6 | 28.3 | 0 | 0 | 113.4 | R218 T219 M220 L257 | Q216-R218 PolarHBondContact O-N 2.97Å; Q216-T219 WeakPolarHBondContact O-CB 3.45Å; Q216-T219 PolarHBondContact O-N 2.96Å; Q216-M220 WeakPolarHBondContact O-CG 3.32Å; Q216-M220 PolarHBondContact O-N 3.33Å; Q216-L257 HydrophobicContact CG-CD2 4.19Å |
| 217 | S | 79.6 | Confident | 83.1 | Confident | 69 Ų | 69 | 28.8 Ų | 28.8 | 48% | 0.483 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.7 | -43.9 | -176.6 | 53.7 | 0 | 0 | 0 | 0 | 112.6 | M220 A221 | S217-M220 PolarHBondContact O-N 3.37Å; S217-A221 PolarHBondContact O-N 3.02Å; S217-A221 VanDerWaalsContact O-N 3.11Å |
| 218 | R | 82.7 | Confident | 82.9 | Confident | 20 Ų | 20 | 29.3 Ų | 29.3 | 8% | 0.075 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.2 | -43.7 | 174.3 | -64.6 | -165.2 | -57.1 | -150.7 | 5.5 | 111 | A177 F181 L211 H215 Q216 M220 A221 I222 | A177-R218 VanDerWaalsContact CB-NH1 3.29Å; F181-R218 HydrophobicContact CD2-CB 4.46Å; F181-R218 HydrophobicContact CD2-CG 4.33Å; F181-R218 HydrophobicContact CE2-CB 4.38Å; F181-R218 HydrophobicContact CE2-CG 4.46Å; F181-R218 HydrophobicContact CG-CG 4.38Å; L211-R218 PolarHBondContact O-NE 2.81Å; L211-R218 PolarHBondContact O-NH2 2.85Å; H215-R218 HydrophobicContact CB-CB 4.28Å; H215-R218 HydrophobicContact CB-CG 4.33Å; H215-R218 PolarHBondContact CD2-NH2 3.23Å; Q216-R218 PolarHBondContact O-N 2.97Å; R218-M220 PolarHBondContact O-N 2.83Å; R218-A221 PolarHBondContact O-N 3.06Å; R218-I222 WeakPolarHBondContact O-CB 3.5Å; R218-I222 WeakPolarHBondContact O-CD1 2.82Å; R218-I222 WeakPolarHBondContact O-CG1 3.21Å; R218-I222 PolarHBondContact O-N 2.85Å |
| 219 | T | 84.9 | Confident | 82.7 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59 | -46.8 | 178 | -62.3 | 0 | 0 | 0 | 0 | 111.8 | C212 H215 Q216 A221 I222 V223 M253 A256 L257 | C212-T219 WeakPolarHBondContact CA-OG1 3.44Å; C212-T219 WeakPolarHBondContact CB-OG1 3.44Å; C212-T219 PolarHBondContact O-OG1 3.26Å; H215-T219 WeakPolarHBondContact O-CB 3.35Å; H215-T219 PolarHBondContact O-N 2.83Å; H215-T219 PolarHBondContact O-OG1 3.5Å; Q216-T219 WeakPolarHBondContact O-CB 3.45Å; Q216-T219 PolarHBondContact O-N 2.96Å; T219-A221 PolarHBondContact O-N 2.97Å; T219-I222 PolarHBondContact O-N 3.13Å; T219-V223 HydrophobicContact CG2-CG2 4.4Å; T219-V223 VanDerWaalsContact O-CG2 3.31Å; T219-V223 WeakPolarHBondContact O-CG2 3.34Å; T219-V223 PolarHBondContact O-N 3.08Å; T219-M253 HydrophobicContact CG2-CB 3.8Å; T219-M253 HydrophobicContact CG2-CG 3.91Å; T219-A256 HydrophobicContact CG2-CB 4.34Å; T219-L257 HydrophobicContact CG2-CD1 4.36Å; T219-L257 HydrophobicContact CG2-CD2 4.04Å; T219-L257 HydrophobicContact CG2-CG 3.91Å |
| 220 | M | 81.6 | Confident | 82.6 | Confident | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.02 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.6 | -44 | 176.5 | -74.3 | -63.7 | -66.8 | 0 | 0 | 112.4 | Q216 S217 R218 V223 N224 L257 L273 P274 E279 | Q216-M220 WeakPolarHBondContact O-CG 3.32Å; Q216-M220 PolarHBondContact O-N 3.33Å; S217-M220 PolarHBondContact O-N 3.37Å; R218-M220 PolarHBondContact O-N 2.83Å; M220-V223 PolarHBondContact O-N 3.1Å; M220-N224 WeakPolarHBondContact O-CB 3.45Å; M220-N224 VanDerWaalsContact O-CG 3.27Å; M220-N224 PolarHBondContact O-N 2.89Å; M220-N224 PolarHBondContact O-ND2 3.32Å; M220-L257 HydrophobicContact CG-CD2 3.69Å; M220-L257 HydrophobicContact SD-CD2 3.37Å; M220-L257 WeakPolarHBondContact SD-CD2 3.3Å; M220-L273 HydrophobicContact CB-CD2 3.98Å; M220-L273 HydrophobicContact CG-CD2 4.31Å; M220-P274 HydrophobicContact CE-CB 4Å; M220-P274 HydrophobicContact CE-CG 4.14Å; M220-E279 HydrophobicContact CE-CB 4.06Å; M220-E279 HydrophobicContact CE-CG 4.21Å; M220-E279 HydrophobicContact SD-CB 4.05Å; M220-E279 HydrophobicContact SD-CG 4.08Å |
| 221 | A | 83.3 | Confident | 82.7 | Confident | 33 Ų | 33 | 37.9 Ų | 37.9 | 27% | 0.273 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.7 | -43.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F181 S217 R218 T219 N224 E225 | F181-A221 HydrophobicContact CE2-CB 3.95Å; F181-A221 HydrophobicContact CZ-CB 3.61Å; S217-A221 PolarHBondContact O-N 3.02Å; S217-A221 VanDerWaalsContact O-N 3.11Å; R218-A221 PolarHBondContact O-N 3.06Å; T219-A221 PolarHBondContact O-N 2.97Å; A221-N224 PolarHBondContact O-N 3.4Å; A221-E225 VanDerWaalsContact O-CB 3.28Å; A221-E225 WeakPolarHBondContact O-CB 3.3Å; A221-E225 PolarHBondContact O-N 3.21Å |
| 222 | I | 85.5 | Confident | 82.7 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.4 | -44.5 | 178.5 | -69.8 | 168 | 0 | 0 | 0 | 111 | F181 V186 L208 L211 R218 T219 N224 E225 L226 M253 | F181-I222 HydrophobicContact CE2-CG1 4.19Å; V186-I222 HydrophobicContact CG1-CG1 4.23Å; V186-I222 HydrophobicContact CG2-CG1 3.88Å; L208-I222 HydrophobicContact CD2-CG2 4.09Å; L211-I222 HydrophobicContact CB-CD1 3.83Å; L211-I222 HydrophobicContact CD1-CD1 4.35Å; R218-I222 WeakPolarHBondContact O-CB 3.5Å; R218-I222 WeakPolarHBondContact O-CD1 2.82Å; R218-I222 WeakPolarHBondContact O-CG1 3.21Å; R218-I222 PolarHBondContact O-N 2.85Å; T219-I222 PolarHBondContact O-N 3.13Å; I222-N224 PolarHBondContact O-N 3.45Å; I222-E225 PolarHBondContact O-N 3.21Å; I222-L226 HydrophobicContact CB-CD1 4.4Å; I222-L226 HydrophobicContact CG2-CD1 3.49Å; I222-L226 VanDerWaalsContact CG2-CD1 3.49Å; I222-L226 WeakPolarHBondContact O-CD1 3.1Å; I222-L226 PolarHBondContact O-N 2.89Å; I222-M253 HydrophobicContact CG2-CE 3.53Å |
| 223 | V | 84.8 | Confident | 82.8 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 178.2 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | T219 M220 E225 G227 M228 M253 E279 | T219-V223 HydrophobicContact CG2-CG2 4.4Å; T219-V223 VanDerWaalsContact O-CG2 3.31Å; T219-V223 WeakPolarHBondContact O-CG2 3.34Å; T219-V223 PolarHBondContact O-N 3.08Å; M220-V223 PolarHBondContact O-N 3.1Å; V223-E225 VanDerWaalsContact C-N 3.34Å; V223-E225 PolarHBondContact O-N 3.44Å; V223-G227 WeakPolarHBondContact O-CA 3.37Å; V223-G227 PolarHBondContact O-N 3.22Å; V223-M228 HydrophobicContact CG1-CG 4.23Å; V223-M228 HydrophobicContact CG1-SD 4.17Å; V223-M253 HydrophobicContact CG2-CE 4.16Å; V223-M253 HydrophobicContact CG2-SD 3.88Å; V223-E279 HydrophobicContact CG1-CG 3.93Å; V223-E279 VanDerWaalsContact CG1-OE1 3.26Å; V223-E279 WeakPolarHBondContact CG1-OE1 3.09Å |
| 224 | N | 84.5 | Confident | 82.9 | Confident | 96 Ų | 96 | 39 Ų | 39 | 51% | 0.513 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.7 | -33.7 | 177.2 | -72.5 | -26.2 | 0 | 0 | 0 | 113.1 | M220 A221 I222 | M220-N224 WeakPolarHBondContact O-CB 3.45Å; M220-N224 VanDerWaalsContact O-CG 3.27Å; M220-N224 PolarHBondContact O-N 2.89Å; M220-N224 PolarHBondContact O-ND2 3.32Å; A221-N224 PolarHBondContact O-N 3.4Å; I222-N224 PolarHBondContact O-N 3.45Å |
| 225 | E | 84.1 | Confident | 83.6 | Confident | 66 Ų | 66 | 36.2 Ų | 36.2 | 31% | 0.308 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -83.1 | -42.7 | -176.2 | -174.1 | 165.8 | -161.6 | 0 | 0 | 113.3 | V186 K187 A221 I222 V223 | V186-E225 WeakPolarHBondContact CB-OE2 3.43Å; V186-E225 HydrophobicContact CG1-CB 4.26Å; V186-E225 HydrophobicContact CG1-CG 4.09Å; V186-E225 VanDerWaalsContact CG1-OE2 3.31Å; V186-E225 WeakPolarHBondContact CG1-OE2 3.47Å; K187-E225 WeakPolarHBondContact CE-OE1 3.37Å; K187-E225 WeakPolarHBondContact CG-OE1 3.42Å; A221-E225 VanDerWaalsContact O-CB 3.28Å; A221-E225 WeakPolarHBondContact O-CB 3.3Å; A221-E225 PolarHBondContact O-N 3.21Å; I222-E225 PolarHBondContact O-N 3.21Å; V223-E225 VanDerWaalsContact C-N 3.34Å; V223-E225 PolarHBondContact O-N 3.44Å |
| 226 | L | 83.4 | Confident | 83.7 | Confident | 8 Ų | 8 | 34.2 Ų | 34.2 | 4% | 0.042 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -78.2 | -34.1 | 175.8 | -78.4 | 96.4 | 0 | 0 | 0 | 112.8 | V186 L193 L208 I222 Q230 L231 | V186-L226 HydrophobicContact CG1-CD1 3.42Å; V186-L226 VanDerWaalsContact CG1-CD1 3.42Å; L193-L226 HydrophobicContact CD1-CD2 3.41Å; L193-L226 VanDerWaalsContact CD1-CD2 3.41Å; L208-L226 HydrophobicContact CD1-CD2 3.93Å; L208-L226 HydrophobicContact CD2-CD1 4.49Å; I222-L226 HydrophobicContact CB-CD1 4.4Å; I222-L226 HydrophobicContact CG2-CD1 3.49Å; I222-L226 VanDerWaalsContact CG2-CD1 3.49Å; I222-L226 WeakPolarHBondContact O-CD1 3.1Å; I222-L226 PolarHBondContact O-N 2.89Å; L226-Q230 PolarHBondContact O-OE1 3.04Å; L226-L231 HydrophobicContact CB-CG 4.49Å; L226-L231 HydrophobicContact CD2-CD2 4.04Å |
| 227 | G | 84.5 | Confident | 83.9 | Confident | 26 Ų | 26 | 32.7 Ų | 32.7 | 27% | 0.268 | 20% | 0.197 | S | C | . | . | trans | 74.3 | 144.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V223 E229 Q230 L231 | V223-G227 WeakPolarHBondContact O-CA 3.37Å; V223-G227 PolarHBondContact O-N 3.22Å; G227-E229 VanDerWaalsContact C-N 3.32Å; G227-E229 PolarHBondContact O-N 2.96Å; G227-Q230 PolarHBondContact O-N 3.22Å; G227-L231 PolarHBondContact O-N 2.67Å | ||
| 228 | M | 83.6 | Confident | 83.7 | Confident | 10 Ų | 10 | 33.5 Ų | 33.5 | 5% | 0.049 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.5 | -28.5 | -178.6 | -76.1 | -56.3 | -57.3 | 0 | 0 | 113.7 | V223 Q230 L231 C232 L250 M283 H286 | V223-M228 HydrophobicContact CG1-CG 4.23Å; V223-M228 HydrophobicContact CG1-SD 4.17Å; M228-Q230 PolarHBondContact O-N 3.07Å; M228-L231 PolarHBondContact O-N 3.18Å; M228-L231 HydrophobicContact SD-CD1 3.85Å; M228-C232 WeakPolarHBondContact O-CB 3.35Å; M228-C232 PolarHBondContact O-N 3.1Å; M228-C232 PolarHBondContact O-SG 2.75Å; M228-C232 VanDerWaalsContact O-SG 3.42Å; M228-L250 HydrophobicContact CE-CD2 3.76Å; M228-L250 HydrophobicContact SD-CD2 4.23Å; M228-M283 HydrophobicContact CE-CB 3.99Å; M228-M283 HydrophobicContact CE-CE 4.13Å; M228-M283 HydrophobicContact CE-CG 3.95Å; M228-M283 HydrophobicContact CG-CG 4.06Å; M228-M283 HydrophobicContact SD-CB 4.36Å; M228-M283 HydrophobicContact SD-CE 3.97Å; M228-M283 HydrophobicContact SD-CG 3.65Å; M228-M283 HydrophobicContact SD-SD 4.45Å; M228-H286 HydrophobicContact CB-CB 4.4Å |
| 229 | E | 83.7 | Confident | 83.5 | Confident | 154 Ų | 154 | 33.7 Ų | 33.7 | 72% | 0.72 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -61.4 | -44.3 | 177.1 | -65.8 | -177.8 | 175.9 | 0 | 0 | 111.9 | G227 C232 A233 | G227-E229 VanDerWaalsContact C-N 3.32Å; G227-E229 PolarHBondContact O-N 2.96Å; E229-C232 PolarHBondContact O-N 3.42Å; E229-A233 WeakPolarHBondContact O-CB 3.45Å; E229-A233 PolarHBondContact O-N 2.92Å |
| 230 | Q | 84.3 | Confident | 83.1 | Confident | 49 Ų | 49 | 37 Ų | 37 | 23% | 0.229 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.6 | -41.3 | 178.6 | -170.9 | 176.2 | -0.3 | 0 | 0 | 111.3 | L226 G227 M228 A233 V234 | L226-Q230 PolarHBondContact O-OE1 3.04Å; G227-Q230 PolarHBondContact O-N 3.22Å; M228-Q230 PolarHBondContact O-N 3.07Å; Q230-A233 PolarHBondContact O-N 3.18Å; Q230-V234 WeakPolarHBondContact O-CG2 3.28Å; Q230-V234 PolarHBondContact O-N 2.95Å |
| 231 | L | 85.8 | Confident | 83.1 | Confident | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 177.3 | -68.6 | 172.6 | 0 | 0 | 0 | 111.9 | L226 G227 M228 V234 M235 L249 L250 M253 | L226-L231 HydrophobicContact CB-CG 4.49Å; L226-L231 HydrophobicContact CD2-CD2 4.04Å; G227-L231 PolarHBondContact O-N 2.67Å; M228-L231 PolarHBondContact O-N 3.18Å; M228-L231 HydrophobicContact SD-CD1 3.85Å; L231-V234 PolarHBondContact O-N 3.42Å; L231-M235 WeakPolarHBondContact O-CB 3.4Å; L231-M235 PolarHBondContact O-N 3.25Å; L231-L249 HydrophobicContact CD2-CD2 3.92Å; L231-L250 HydrophobicContact CB-CD2 4.26Å; L231-L250 HydrophobicContact CD1-CD2 4.05Å; L231-M253 HydrophobicContact CD1-CE 4.18Å; L231-M253 HydrophobicContact CD1-SD 4.09Å |
| 232 | C | 85.1 | Confident | 83.1 | Confident | 13 Ų | 13 | 39.2 Ų | 39.2 | 9% | 0.088 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.3 | -37.6 | 174 | -74.1 | 0 | 0 | 0 | 0 | 112 | M228 E229 M235 G236 M290 | M228-C232 WeakPolarHBondContact O-CB 3.35Å; M228-C232 PolarHBondContact O-N 3.1Å; M228-C232 PolarHBondContact O-SG 2.75Å; M228-C232 VanDerWaalsContact O-SG 3.42Å; E229-C232 PolarHBondContact O-N 3.42Å; C232-M235 PolarHBondContact O-N 3.46Å; C232-G236 PolarHBondContact O-N 3.21Å; C232-M290 HydrophobicContact CB-SD 3.96Å |
| 233 | A | 85.1 | Confident | 83 | Confident | 68 Ų | 68 | 39.2 Ų | 39.2 | 56% | 0.562 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -64 | -42.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E229 Q230 M235 G236 S237 | E229-A233 WeakPolarHBondContact O-CB 3.45Å; E229-A233 PolarHBondContact O-N 2.92Å; Q230-A233 PolarHBondContact O-N 3.18Å; A233-M235 VanDerWaalsContact C-N 3.34Å; A233-G236 PolarHBondContact O-N 3.25Å; A233-S237 PolarHBondContact O-N 3.32Å |
| 234 | V | 85.1 | Confident | 82.9 | Confident | 19 Ų | 19 | 43.2 Ų | 43.2 | 12% | 0.115 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 175.2 | 176 | 0 | 0 | 0 | 0 | 110.8 | V201 L205 Q230 L231 G236 S237 V242 A246 | V201-V234 HydrophobicContact CG1-CG1 4.22Å; L205-V234 HydrophobicContact CD1-CG1 4.09Å; L205-V234 HydrophobicContact CD2-CG1 4.33Å; Q230-V234 WeakPolarHBondContact O-CG2 3.28Å; Q230-V234 PolarHBondContact O-N 2.95Å; L231-V234 PolarHBondContact O-N 3.42Å; V234-G236 VanDerWaalsContact C-N 3.33Å; V234-G236 PolarHBondContact O-N 2.72Å; V234-S237 VanDerWaalsContact O-CB 3.23Å; V234-S237 WeakPolarHBondContact O-CB 3.34Å; V234-S237 PolarHBondContact O-N 3.19Å; V234-S237 PolarHBondContact O-OG 3.21Å; V234-V242 HydrophobicContact CG1-CG1 3.82Å; V234-A246 HydrophobicContact CG1-CB 4.2Å |
| 235 | M | 84.9 | Confident | 82.8 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.2 | -33.7 | 175.4 | -177.9 | 170.7 | 57.6 | 0 | 0 | 112.7 | L231 C232 A233 S237 S243 A246 C247 L250 L287 M290 G300 A304 | L231-M235 WeakPolarHBondContact O-CB 3.4Å; L231-M235 PolarHBondContact O-N 3.25Å; C232-M235 PolarHBondContact O-N 3.46Å; A233-M235 VanDerWaalsContact C-N 3.34Å; M235-S237 PolarHBondContact O-N 3.15Å; M235-S243 WeakPolarHBondContact O-CB 3.46Å; M235-S243 PolarHBondContact O-OG 3.14Å; M235-A246 HydrophobicContact CB-CB 3.92Å; M235-C247 HydrophobicContact SD-CB 4.46Å; M235-L250 HydrophobicContact CE-CD1 3.77Å; M235-L250 HydrophobicContact SD-CD1 3.86Å; M235-L287 HydrophobicContact CE-CD2 3.25Å; M235-L287 HydrophobicContact SD-CD2 4.45Å; M235-M290 HydrophobicContact CE-CE 3.24Å; M235-M290 HydrophobicContact CE-SD 3.61Å; M235-M290 HydrophobicContact CG-CE 4.29Å; M235-M290 HydrophobicContact SD-CE 4.25Å; M235-G300 WeakPolarHBondContact O-CA 3.46Å; M235-A304 HydrophobicContact CE-CB 4.3Å |
| 236 | G | 82.3 | Confident | 82.9 | Confident | 11 Ų | 11 | 36.4 Ų | 36.4 | 11% | 0.113 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | 1.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | C232 A233 V234 S297 | C232-G236 PolarHBondContact O-N 3.21Å; A233-G236 PolarHBondContact O-N 3.25Å; V234-G236 VanDerWaalsContact C-N 3.33Å; V234-G236 PolarHBondContact O-N 2.72Å; G236-S297 WeakPolarHBondContact O-CB 3.36Å; G236-S297 PolarHBondContact O-N 3.13Å; G236-S297 PolarHBondContact O-OG 3.08Å |
| 237 | S | 82.9 | Confident | 83 | Confident | 34 Ų | 34 | 36.3 Ų | 36.3 | 24% | 0.238 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -61.7 | 153.4 | 177.6 | 63.4 | 0 | 0 | 0 | 0 | 112.8 | A233 V234 M235 A239 S297 | A233-S237 PolarHBondContact O-N 3.32Å; V234-S237 VanDerWaalsContact O-CB 3.23Å; V234-S237 WeakPolarHBondContact O-CB 3.34Å; V234-S237 PolarHBondContact O-N 3.19Å; V234-S237 PolarHBondContact O-OG 3.21Å; M235-S237 PolarHBondContact O-N 3.15Å; S237-A239 VanDerWaalsContact C-N 3.27Å; S237-A239 PolarHBondContact O-N 3.43Å; S237-S297 WeakPolarHBondContact O-CB 3.38Å; S237-S297 PolarHBondContact O-OG 3.04Å |
| 238 | A | 74.9 | Confident | 83 | Confident | 87 Ų | 87 | 38.4 Ų | 38.4 | 72% | 0.719 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -71.6 | -20.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S240 | A238-S240 PolarHBondContact O-N 2.99Š|
| 239 | A | 79.7 | Confident | 83.2 | Confident | 23 Ų | 23 | 38 Ų | 38 | 19% | 0.19 | 24% | 0.237 | C | C | . | . | trans | -78.1 | 111.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111 | S237 T241 V242 S243 | S237-A239 VanDerWaalsContact C-N 3.27Å; S237-A239 PolarHBondContact O-N 3.43Å; A239-T241 VanDerWaalsContact C-N 3.27Å; A239-T241 PolarHBondContact O-N 3.26Å; A239-V242 HydrophobicContact CB-CB 4.14Å; A239-V242 HydrophobicContact CB-CG2 3.98Å; A239-V242 PolarHBondContact O-N 3.19Å; A239-S243 PolarHBondContact O-N 3.23Å | ||
| 240 | S | 76.4 | Confident | 83.4 | Confident | 70 Ų | 70 | 30.8 Ų | 30.8 | 49% | 0.49 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -56.2 | -38.2 | -178.6 | -179.8 | 0 | 0 | 0 | 0 | 113.1 | A238 S243 L244 | A238-S240 PolarHBondContact O-N 2.99Å; S240-S243 PolarHBondContact O-N 3.34Å; S240-L244 WeakPolarHBondContact O-CB 3.3Å; S240-L244 PolarHBondContact O-N 2.99Å |
| 241 | T | 81.1 | Confident | 83.5 | Confident | 76 Ų | 76 | 29.8 Ų | 29.8 | 47% | 0.466 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -65.2 | -42.9 | 179 | 51.8 | 0 | 0 | 0 | 0 | 112.8 | L202 A239 A245 | L202-T241 WeakPolarHBondContact CD2-O 3.3Å; A239-T241 VanDerWaalsContact C-N 3.27Å; A239-T241 PolarHBondContact O-N 3.26Å; T241-A245 WeakPolarHBondContact O-CB 3.45Å; T241-A245 PolarHBondContact O-N 2.91Å |
| 242 | V | 84 | Confident | 83.4 | Confident | 8 Ų | 8 | 30.2 Ų | 30.2 | 5% | 0.048 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.3 | -44.1 | 178.4 | 176.6 | 0 | 0 | 0 | 0 | 110.1 | E198 V201 L202 L205 V234 A239 L244 A245 A246 | E198-V242 HydrophobicContact CB-CG2 4.27Å; E198-V242 HydrophobicContact CG-CG2 4.36Å; V201-V242 HydrophobicContact CG1-CG1 3.74Å; L202-V242 HydrophobicContact CD2-CG2 4.21Å; L202-V242 HydrophobicContact CG-CG2 4.22Å; L205-V242 HydrophobicContact CD1-CG1 4.13Å; V234-V242 HydrophobicContact CG1-CG1 3.82Å; A239-V242 HydrophobicContact CB-CB 4.14Å; A239-V242 HydrophobicContact CB-CG2 3.98Å; A239-V242 PolarHBondContact O-N 3.19Å; V242-L244 PolarHBondContact O-N 3.43Å; V242-A245 PolarHBondContact O-N 3.12Å; V242-A246 WeakPolarHBondContact O-CB 3.13Å; V242-A246 PolarHBondContact O-N 3.15Å |
| 243 | S | 83 | Confident | 83.5 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.3 | -45.9 | 176.3 | -172.9 | 0 | 0 | 0 | 0 | 112.2 | M235 A239 S240 A246 C247 G300 S303 | M235-S243 WeakPolarHBondContact O-CB 3.46Å; M235-S243 PolarHBondContact O-OG 3.14Å; A239-S243 PolarHBondContact O-N 3.23Å; S240-S243 PolarHBondContact O-N 3.34Å; S243-A246 PolarHBondContact O-N 3.15Å; S243-C247 WeakPolarHBondContact O-CB 3.24Å; S243-C247 PolarHBondContact O-N 3.4Å; S243-G300 VanDerWaalsContact OG-CA 3.3Å; S243-G300 WeakPolarHBondContact OG-CA 3.33Å; S243-S303 PolarHBondContact OG-OG 3Å |
| 244 | L | 81.4 | Confident | 83.5 | Confident | 86 Ų | 86 | 26.5 Ų | 26.5 | 45% | 0.45 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -66.4 | -39 | 178.3 | -168.5 | 124.3 | 0 | 0 | 0 | 112.4 | S240 V242 C247 H248 | S240-L244 WeakPolarHBondContact O-CB 3.3Å; S240-L244 PolarHBondContact O-N 2.99Å; V242-L244 PolarHBondContact O-N 3.43Å; L244-C247 WeakPolarHBondContact O-CB 3.4Å; L244-C247 PolarHBondContact O-N 3.2Å; L244-H248 PolarHBondContact O-N 3Å |
| 245 | A | 83.3 | Confident | 83.3 | Confident | 15 Ų | 15 | 27.8 Ų | 27.8 | 12% | 0.124 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.6 | -38.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L202 L205 T241 V242 H248 L249 | L202-A245 HydrophobicContact CD2-CB 3.62Å; L205-A245 HydrophobicContact CB-CB 4.25Å; L205-A245 HydrophobicContact CD1-CB 3.82Å; T241-A245 WeakPolarHBondContact O-CB 3.45Å; T241-A245 PolarHBondContact O-N 2.91Å; V242-A245 PolarHBondContact O-N 3.12Å; A245-H248 PolarHBondContact O-N 3.31Å; A245-L249 PolarHBondContact O-N 3.5Å |
| 246 | A | 86.3 | Confident | 83.2 | Confident | 3 Ų | 3 | 28.1 Ų | 28.1 | 3% | 0.025 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.8 | -39.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | L205 V234 M235 V242 S243 H248 L249 L250 | L205-A246 HydrophobicContact CD1-CB 4.13Å; L205-A246 HydrophobicContact CD2-CB 4.29Å; V234-A246 HydrophobicContact CG1-CB 4.2Å; M235-A246 HydrophobicContact CB-CB 3.92Å; V242-A246 WeakPolarHBondContact O-CB 3.13Å; V242-A246 PolarHBondContact O-N 3.15Å; S243-A246 PolarHBondContact O-N 3.15Å; A246-H248 VanDerWaalsContact C-N 3.34Å; A246-H248 PolarHBondContact O-N 3.09Å; A246-L249 WeakPolarHBondContact O-CB 3.45Å; A246-L249 PolarHBondContact O-N 3.07Å; A246-L250 WeakPolarHBondContact O-CG 3.18Å; A246-L250 PolarHBondContact O-N 3.47Å |
| 247 | C | 85.6 | Confident | 83 | Confident | 6 Ų | 6 | 27.6 Ų | 27.6 | 4% | 0.041 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.7 | -44.8 | 171.4 | -179.3 | 0 | 0 | 0 | 0 | 111.8 | M235 S243 L244 L249 L250 Q251 S303 | M235-C247 HydrophobicContact SD-CB 4.46Å; S243-C247 WeakPolarHBondContact O-CB 3.24Å; S243-C247 PolarHBondContact O-N 3.4Å; L244-C247 WeakPolarHBondContact O-CB 3.4Å; L244-C247 PolarHBondContact O-N 3.2Å; C247-L249 PolarHBondContact O-N 3.23Å; C247-L250 PolarHBondContact O-N 3.45Å; C247-Q251 WeakPolarHBondContact O-CB 3.43Å; C247-Q251 PolarHBondContact O-N 2.89Å; C247-S303 PolarHBondContact SG-O 2.89Å; C247-S303 VanDerWaalsContact SG-O 3.42Å |
| 248 | H | 84.2 | Confident | 82.5 | Confident | 71 Ų | 71 | 27.9 Ų | 27.9 | 33% | 0.329 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63.2 | -40.4 | 176.7 | -177.1 | -89.7 | 0 | 0 | 0 | 112 | V209 L244 A245 A246 Q251 V252 | V209-H248 VanDerWaalsContact CG1-CE1 3.48Å; V209-H248 WeakPolarHBondContact CG1-CE1 3.18Å; V209-H248 WeakPolarHBondContact CG2-ND1 3.31Å; L244-H248 PolarHBondContact O-N 3Å; A245-H248 PolarHBondContact O-N 3.31Å; A246-H248 VanDerWaalsContact C-N 3.34Å; A246-H248 PolarHBondContact O-N 3.09Å; H248-Q251 WeakPolarHBondContact O-CB 3.32Å; H248-Q251 PolarHBondContact O-N 3.04Å; H248-V252 WeakPolarHBondContact O-CG2 3.48Å; H248-V252 PolarHBondContact O-N 3.28Å |
| 249 | L | 87.8 | Confident | 81.9 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.2 | -51.4 | 173.6 | 175.8 | 61.3 | 0 | 0 | 0 | 111.5 | L205 L208 V209 L231 A245 A246 C247 Q251 V252 M253 | L205-L249 HydrophobicContact CD2-CD2 3.79Å; L208-L249 HydrophobicContact CB-CD1 3.51Å; L208-L249 HydrophobicContact CB-CD2 3.86Å; L208-L249 HydrophobicContact CB-CG 4.35Å; L208-L249 HydrophobicContact CD1-CD2 3.69Å; L208-L249 HydrophobicContact CG-CD2 4.44Å; V209-L249 HydrophobicContact CG2-CB 3.96Å; V209-L249 HydrophobicContact CG2-CD1 3.94Å; L231-L249 HydrophobicContact CD2-CD2 3.92Å; A245-L249 PolarHBondContact O-N 3.5Å; A246-L249 WeakPolarHBondContact O-CB 3.45Å; A246-L249 PolarHBondContact O-N 3.07Å; C247-L249 PolarHBondContact O-N 3.23Å; L249-Q251 VanDerWaalsContact C-N 3.3Å; L249-Q251 PolarHBondContact O-N 3.02Å; L249-V252 PolarHBondContact O-N 3.29Å; L249-M253 HydrophobicContact CD1-CE 3.87Å; L249-M253 HydrophobicContact CD1-CG 4.39Å; L249-M253 HydrophobicContact CD1-SD 4.43Å; L249-M253 HydrophobicContact CD2-CE 4.13Å; L249-M253 HydrophobicContact CG-CE 3.9Å; L249-M253 HydrophobicContact CG-SD 4.13Å; L249-M253 VanDerWaalsContact O-CG 3.31Å; L249-M253 WeakPolarHBondContact O-CG 3.44Å; L249-M253 PolarHBondContact O-N 2.93Å |
| 250 | L | 87.8 | Confident | 80.5 | Confident | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.1 | -39.9 | 178.2 | -70.1 | 176.3 | 0 | 0 | 0 | 111.5 | M228 L231 M235 A246 C247 V252 M253 F254 M283 L287 L307 | M228-L250 HydrophobicContact CE-CD2 3.76Å; M228-L250 HydrophobicContact SD-CD2 4.23Å; L231-L250 HydrophobicContact CB-CD2 4.26Å; L231-L250 HydrophobicContact CD1-CD2 4.05Å; M235-L250 HydrophobicContact CE-CD1 3.77Å; M235-L250 HydrophobicContact SD-CD1 3.86Å; A246-L250 WeakPolarHBondContact O-CG 3.18Å; A246-L250 PolarHBondContact O-N 3.47Å; C247-L250 PolarHBondContact O-N 3.45Å; L250-V252 PolarHBondContact O-N 3.49Å; L250-M253 HydrophobicContact CD2-SD 4.04Å; L250-M253 WeakPolarHBondContact O-CB 3.38Å; L250-M253 PolarHBondContact O-N 3.32Å; L250-F254 VanDerWaalsContact O-CD2 3.25Å; L250-F254 WeakPolarHBondContact O-CD2 3.41Å; L250-F254 PolarHBondContact O-N 3.02Å; L250-M283 HydrophobicContact CD2-CE 3.84Å; L250-L287 HydrophobicContact CD1-CD2 4.18Å; L250-L307 HydrophobicContact CB-CD1 4.41Å; L250-L307 HydrophobicContact CB-CD2 3.53Å; L250-L307 HydrophobicContact CD1-CD2 3.88Å; L250-L307 HydrophobicContact CG-CD2 4.37Å |
| 251 | Q | 86.4 | Confident | 78.8 | Confident | 29 Ų | 29 | 30.6 Ų | 30.6 | 14% | 0.136 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.3 | -48.8 | 173.7 | 159.2 | 161.3 | 10.3 | 0 | 0 | 111.8 | C247 H248 L249 M253 F254 E255 L307 | C247-Q251 WeakPolarHBondContact O-CB 3.43Å; C247-Q251 PolarHBondContact O-N 2.89Å; H248-Q251 WeakPolarHBondContact O-CB 3.32Å; H248-Q251 PolarHBondContact O-N 3.04Å; L249-Q251 VanDerWaalsContact C-N 3.3Å; L249-Q251 PolarHBondContact O-N 3.02Å; Q251-M253 VanDerWaalsContact C-N 3.31Å; Q251-M253 PolarHBondContact O-N 3.4Å; Q251-F254 WeakPolarHBondContact O-CB 3.36Å; Q251-F254 PolarHBondContact O-N 3.31Å; Q251-E255 PolarHBondContact NE2-OE1 2.99Å; Q251-E255 WeakPolarHBondContact O-CG 3.25Å; Q251-E255 PolarHBondContact O-N 3.26Å; Q251-L307 HydrophobicContact CB-CD1 3.72Å |
| 252 | V | 84.4 | Confident | 76.8 | Confident | 12 Ų | 12 | 34.2 Ų | 34.2 | 7% | 0.073 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.8 | -37.4 | 178.6 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | V209 C212 H248 L249 L250 E255 A256 | V209-V252 HydrophobicContact CG1-CG2 4.23Å; C212-V252 HydrophobicContact CB-CG1 3.85Å; H248-V252 WeakPolarHBondContact O-CG2 3.48Å; H248-V252 PolarHBondContact O-N 3.28Å; L249-V252 PolarHBondContact O-N 3.29Å; L250-V252 PolarHBondContact O-N 3.49Å; V252-E255 PolarHBondContact O-N 3.41Å; V252-A256 WeakPolarHBondContact O-CB 3.31Å; V252-A256 PolarHBondContact O-N 3.28Å |
| 253 | M | 86.8 | Confident | 74.6 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.9 | -47 | 173.6 | -66.6 | 173.7 | 160 | 0 | 0 | 111.3 | C212 T219 I222 V223 L231 L249 L250 Q251 E255 A256 L257 M283 | C212-M253 HydrophobicContact CB-CG 4.37Å; T219-M253 HydrophobicContact CG2-CB 3.8Å; T219-M253 HydrophobicContact CG2-CG 3.91Å; I222-M253 HydrophobicContact CG2-CE 3.53Å; V223-M253 HydrophobicContact CG2-CE 4.16Å; V223-M253 HydrophobicContact CG2-SD 3.88Å; L231-M253 HydrophobicContact CD1-CE 4.18Å; L231-M253 HydrophobicContact CD1-SD 4.09Å; L249-M253 HydrophobicContact CD1-CE 3.87Å; L249-M253 HydrophobicContact CD1-CG 4.39Å; L249-M253 HydrophobicContact CD1-SD 4.43Å; L249-M253 HydrophobicContact CD2-CE 4.13Å; L249-M253 HydrophobicContact CG-CE 3.9Å; L249-M253 HydrophobicContact CG-SD 4.13Å; L249-M253 VanDerWaalsContact O-CG 3.31Å; L249-M253 WeakPolarHBondContact O-CG 3.44Å; L249-M253 PolarHBondContact O-N 2.93Å; L250-M253 HydrophobicContact CD2-SD 4.04Å; L250-M253 WeakPolarHBondContact O-CB 3.38Å; L250-M253 PolarHBondContact O-N 3.32Å; Q251-M253 VanDerWaalsContact C-N 3.31Å; Q251-M253 PolarHBondContact O-N 3.4Å; M253-E255 VanDerWaalsContact C-N 3.35Å; M253-E255 PolarHBondContact O-N 3.41Å; M253-A256 PolarHBondContact O-N 3.38Å; M253-L257 WeakPolarHBondContact O-CB 3.24Å; M253-L257 WeakPolarHBondContact O-CG 3.46Å; M253-L257 PolarHBondContact O-N 3.22Å; M253-M283 HydrophobicContact CB-CE 4.02Å; M253-M283 HydrophobicContact SD-CE 4.5Å |
| 254 | F | 84.7 | Confident | 72.1 | Confident | 3 Ų | 3 | 52.3 Ų | 52.3 | 1% | 0.013 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.6 | -46 | 175.4 | -93.4 | -79.1 | 0 | 0 | 0 | 111.9 | L250 Q251 L257 T258 L280 M283 L284 L287 L307 Q311 | L250-F254 VanDerWaalsContact O-CD2 3.25Å; L250-F254 WeakPolarHBondContact O-CD2 3.41Å; L250-F254 PolarHBondContact O-N 3.02Å; Q251-F254 WeakPolarHBondContact O-CB 3.36Å; Q251-F254 PolarHBondContact O-N 3.31Å; F254-L257 PolarHBondContact O-N 2.97Å; F254-T258 VanDerWaalsContact O-CB 3.24Å; F254-T258 WeakPolarHBondContact O-CB 3.34Å; F254-T258 PolarHBondContact O-N 2.9Å; F254-T258 PolarHBondContact O-OG1 3.49Å; F254-L280 HydrophobicContact CD1-CD2 3.33Å; F254-L280 HydrophobicContact CE1-CD2 3.6Å; F254-L280 HydrophobicContact CG-CD2 4.25Å; F254-M283 HydrophobicContact CD2-CE 3.87Å; F254-M283 HydrophobicContact CE1-CB 4.42Å; F254-M283 HydrophobicContact CE2-CB 4.04Å; F254-M283 HydrophobicContact CE2-CE 3.67Å; F254-M283 HydrophobicContact CE2-SD 4.36Å; F254-M283 HydrophobicContact CZ-CB 3.62Å; F254-M283 HydrophobicContact CZ-CE 4.28Å; F254-M283 HydrophobicContact CZ-SD 4.4Å; F254-L284 HydrophobicContact CE1-CD2 3.83Å; F254-L284 HydrophobicContact CE1-CG 3.86Å; F254-L284 HydrophobicContact CZ-CD2 3.67Å; F254-L284 HydrophobicContact CZ-CG 3.85Å; F254-L287 HydrophobicContact CE2-CD1 3.82Å; F254-L287 HydrophobicContact CZ-CD1 4.07Å; F254-L307 HydrophobicContact CD2-CD1 4.47Å; F254-L307 HydrophobicContact CD2-CD2 4.46Å; F254-L307 HydrophobicContact CE2-CD2 4.26Å; F254-Q311 HydrophobicContact CB-CB 4.38Å; F254-Q311 HydrophobicContact CB-CG 3.93Å; F254-Q311 HydrophobicContact CD1-CB 4.33Å; F254-Q311 HydrophobicContact CD2-CG 4.44Å; F254-Q311 HydrophobicContact CG-CB 4.25Å; F254-Q311 HydrophobicContact CG-CG 4.13Å |
| 255 | E | 82.1 | Confident | 69.8 | Low | 47 Ų | 47 | 54.4 Ų | 54.4 | 22% | 0.22 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.2 | -46.3 | 179 | -71.7 | 179.7 | 163.5 | 0 | 0 | 111.6 | Q251 V252 M253 L257 T258 E259 K315 | Q251-E255 PolarHBondContact NE2-OE1 2.99Å; Q251-E255 WeakPolarHBondContact O-CG 3.25Å; Q251-E255 PolarHBondContact O-N 3.26Å; V252-E255 PolarHBondContact O-N 3.41Å; M253-E255 VanDerWaalsContact C-N 3.35Å; M253-E255 PolarHBondContact O-N 3.41Å; E255-L257 VanDerWaalsContact C-N 3.31Å; E255-L257 PolarHBondContact O-N 2.9Å; E255-T258 PolarHBondContact O-N 2.93Å; E255-E259 WeakPolarHBondContact O-CB 3.33Å; E255-E259 WeakPolarHBondContact O-CG 3.47Å; E255-E259 PolarHBondContact O-N 3.06Å; E255-K315 IonicContact OE1-NZ 2.9Å; E255-K315 PolarHBondContact OE1-NZ 2.95Å |
| 256 | A | 81.5 | Confident | 67.6 | Low | 7 Ų | 7 | 65.7 Ų | 65.7 | 6% | 0.058 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.6 | -37.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | T219 V252 M253 | T219-A256 HydrophobicContact CG2-CB 4.34Å; V252-A256 WeakPolarHBondContact O-CB 3.31Å; V252-A256 PolarHBondContact O-N 3.28Å; M253-A256 PolarHBondContact O-N 3.38Å |
| 257 | L | 78.4 | Confident | 65 | Low | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -74.8 | -33.8 | 177 | -66.4 | 177.6 | 0 | 0 | 0 | 112.6 | Q216 T219 M220 M253 F254 E255 L280 M283 | Q216-L257 HydrophobicContact CG-CD2 4.19Å; T219-L257 HydrophobicContact CG2-CD1 4.36Å; T219-L257 HydrophobicContact CG2-CD2 4.04Å; T219-L257 HydrophobicContact CG2-CG 3.91Å; M220-L257 HydrophobicContact CG-CD2 3.69Å; M220-L257 HydrophobicContact SD-CD2 3.37Å; M220-L257 WeakPolarHBondContact SD-CD2 3.3Å; M253-L257 WeakPolarHBondContact O-CB 3.24Å; M253-L257 WeakPolarHBondContact O-CG 3.46Å; M253-L257 PolarHBondContact O-N 3.22Å; F254-L257 PolarHBondContact O-N 2.97Å; E255-L257 VanDerWaalsContact C-N 3.31Å; E255-L257 PolarHBondContact O-N 2.9Å; L257-L280 HydrophobicContact CB-CD1 4.28Å; L257-L280 HydrophobicContact CB-CD2 3.83Å; L257-L280 HydrophobicContact CB-CG 4.03Å; L257-L280 HydrophobicContact CD1-CD2 4.08Å; L257-L280 HydrophobicContact CD1-CG 4.31Å; L257-M283 HydrophobicContact CD1-SD 3.76Å |
| 258 | T | 72.2 | Confident | 62.7 | Low | 40 Ų | 40 | 77.5 Ų | 77.5 | 25% | 0.245 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -80.1 | -36.7 | -179.6 | -53.3 | 0 | 0 | 0 | 0 | 112.4 | F254 E255 G260 M261 | F254-T258 VanDerWaalsContact O-CB 3.24Å; F254-T258 WeakPolarHBondContact O-CB 3.34Å; F254-T258 PolarHBondContact O-N 2.9Å; F254-T258 PolarHBondContact O-OG1 3.49Å; E255-T258 PolarHBondContact O-N 2.93Å; T258-G260 VanDerWaalsContact C-N 3.26Å; T258-G260 PolarHBondContact O-N 3.13Å; T258-M261 HydrophobicContact CG2-CE 4.47Å; T258-M261 WeakPolarHBondContact O-CB 3.34Å; T258-M261 PolarHBondContact O-N 3.04Å |
| 259 | E | 62.8 | Low | 60.1 | Low | 108 Ų | 108 | 81.7 Ų | 81.7 | 51% | 0.505 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.6 | -28.5 | 176.4 | -76.2 | -174.2 | 171.9 | 0 | 0 | 113 | E255 M261 K262 R263 | E255-E259 WeakPolarHBondContact O-CB 3.33Å; E255-E259 WeakPolarHBondContact O-CG 3.47Å; E255-E259 PolarHBondContact O-N 3.06Å; E259-M261 PolarHBondContact O-N 3.44Å; E259-K262 PolarHBondContact O-N 2.77Å; E259-R263 PolarHBondContact O-N 3.1Å |
| 260 | G | 49.7 | Very low | 57.4 | Low | 28 Ų | 28 | 90 Ų | 90 | 29% | 0.289 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -23.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | T258 | T258-G260 VanDerWaalsContact C-N 3.26Å; T258-G260 PolarHBondContact O-N 3.13Å |
| 261 | M | 41.6 | Very low | 54.7 | Low | 101 Ų | 101 | 93.5 Ų | 93.5 | 50% | 0.498 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -17.9 | 172.9 | -65.9 | -156.3 | -90.5 | 0 | 0 | 113.7 | T258 E259 L280 | T258-M261 HydrophobicContact CG2-CE 4.47Å; T258-M261 WeakPolarHBondContact O-CB 3.34Å; T258-M261 PolarHBondContact O-N 3.04Å; E259-M261 PolarHBondContact O-N 3.44Å; M261-L280 HydrophobicContact CE-CD1 4.01Å |
| 262 | K | 39.7 | Very low | 52.5 | Low | 151 Ų | 151 | 100.1 Ų | 100.1 | 66% | 0.657 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -22.9 | -177.6 | -69.9 | -176.8 | -179.1 | 173.9 | 0 | 114 | E259 | E259-K262 PolarHBondContact O-N 2.77Š|
| 263 | R | 36.2 | Very low | 50.6 | Low | 192 Ų | 192 | 104.1 Ų | 104.1 | 73% | 0.725 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -89.9 | 112.3 | 172.4 | -72.1 | -175.7 | 171.6 | 173.2 | -0.2 | 108 | E259 I265 | E259-R263 PolarHBondContact O-N 3.1Å; R263-I265 HydrophobicContact CB-CD1 4.11Å; R263-I265 HydrophobicContact CB-CG1 3.79Å; R263-I265 PolarHBondContact O-N 2.69Å |
| 264 | E | 31.5 | Very low | 48.8 | Very low | 197 Ų | 197 | 107 Ų | 107 | 92% | 0.921 | 53% | 0.534 | S | S | * | . | trans | -61.4 | 70.5 | 163.3 | -68.1 | -176.2 | 153.3 | 0 | 0 | 110 | R266 | E264-R266 PolarHBondContact O-N 2.86Å; E264-R266 VanDerWaalsContact O-N 3.13Å | ||
| 265 | I | 33.9 | Very low | 47.4 | Very low | 130 Ų | 130 | 113.6 Ų | 113.6 | 67% | 0.667 | 57% | 0.565 | S | S | * | * | trans | -85.4 | 77.3 | 167.8 | -53.5 | 179.1 | 0 | 0 | 0 | 105.8 | R263 G267 | R263-I265 HydrophobicContact CB-CD1 4.11Å; R263-I265 HydrophobicContact CB-CG1 3.79Å; R263-I265 PolarHBondContact O-N 2.69Å; I265-G267 PolarHBondContact O-N 3.33Å | ||
| 266 | R | 36.4 | Very low | 46.6 | Very low | 252 Ų | 252 | 113.1 Ų | 113.1 | 95% | 0.951 | 57% | 0.566 | S | S | * | * | trans | -83.4 | 80.3 | 155.9 | -77.3 | -172.7 | -176.5 | -177.4 | 2.6 | 107.6 | E264 | E264-R266 PolarHBondContact O-N 2.86Å; E264-R266 VanDerWaalsContact O-N 3.13Å | ||
| 267 | G | 32.1 | Very low | 45.9 | Very low | 50 Ų | 50 | 114.8 Ų | 114.8 | 52% | 0.515 | 58% | 0.577 | S | S | . | * | trans | -127.3 | 122.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | I265 D269 | I265-G267 PolarHBondContact O-N 3.33Å; G267-D269 VanDerWaalsContact C-N 3.34Å; G267-D269 PolarHBondContact O-N 3.07Å | ||
| 268 | K | 35.5 | Very low | 45.8 | Very low | 207 Ų | 207 | 122 Ų | 122 | 90% | 0.9 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -72.3 | 90 | 174 | -73.6 | 178.5 | 175.9 | 178 | 0 | 108.7 | ||
| 269 | D | 31 | Very low | 46 | Very low | 158 Ų | 158 | 121.5 Ų | 121.5 | 85% | 0.845 | 60% | 0.603 | S | S | * | * | trans | -150.3 | 62.1 | 150.3 | -89.6 | -27.1 | 0 | 0 | 0 | 106.2 | G267 A271 | G267-D269 VanDerWaalsContact C-N 3.34Å; G267-D269 PolarHBondContact O-N 3.07Å; D269-A271 PolarHBondContact O-N 3.45Å; D269-A271 VanDerWaalsContact O-N 3.09Å | ||
| 270 | E | 30 | Very low | 46.8 | Very low | 175 Ų | 175 | 116.4 Ų | 116.4 | 82% | 0.818 | 58% | 0.579 | S | S | * | * | trans | -73.3 | 91.2 | 169.9 | -72.9 | 178 | 170.6 | 0 | 0 | 108.3 | I272 | E270-I272 PolarHBondContact O-N 3.23Š| ||
| 271 | A | 32.1 | Very low | 48.4 | Very low | 76 Ų | 76 | 120.3 Ų | 120.3 | 63% | 0.628 | 59% | 0.585 | S | S | * | * | trans | -58.4 | 120.9 | 133.7 | 0 | 0 | 0 | 0 | 0 | 105.2 | D269 L273 | D269-A271 PolarHBondContact O-N 3.45Å; D269-A271 VanDerWaalsContact O-N 3.09Å; A271-L273 PolarHBondContact O-N 3.09Å | ||
| 272 | I | 40.4 | Very low | 50.5 | Low | 168 Ų | 168 | 116.6 Ų | 116.6 | 86% | 0.862 | 57% | 0.57 | S | S | * | * | trans | -55.9 | 87.7 | -178.2 | -58.7 | 164 | 0 | 0 | 0 | 108.3 | E270 | E270-I272 PolarHBondContact O-N 3.23Š| ||
| 273 | L | 43.3 | Very low | 52.7 | Low | 97 Ų | 97 | 109.4 Ų | 109.4 | 51% | 0.508 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -89.5 | 130.3 | 172.6 | -89.5 | 149.1 | 0 | 0 | 0 | 106.3 | M220 A271 E275 | M220-L273 HydrophobicContact CB-CD2 3.98Å; M220-L273 HydrophobicContact CG-CD2 4.31Å; A271-L273 PolarHBondContact O-N 3.09Å; L273-E275 PolarHBondContact O-N 3.44Å |
| 274 | P | 49.1 | Very low | 55.1 | Low | 61 Ų | 61 | 100.3 Ų | 100.3 | 40% | 0.396 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -52.5 | 142.2 | 175.8 | -21.1 | 29.6 | 0 | 0 | 0 | 110.7 | M220 P276 | M220-P274 HydrophobicContact CE-CB 4Å; M220-P274 HydrophobicContact CE-CG 4.14Å; P274-P276 WeakPolarHBondContact O-CD 3.25Å; P274-P276 VanDerWaalsContact O-N 3.16Å |
| 275 | E | 56.8 | Low | 57.9 | Low | 140 Ų | 140 | 96.4 Ų | 96.4 | 65% | 0.654 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -50 | 121.8 | 177.2 | -71.9 | -176.3 | 160.9 | 0 | 0 | 110.8 | L273 S277 K278 | L273-E275 PolarHBondContact O-N 3.44Å; E275-S277 PolarHBondContact O-N 3.4Å; E275-K278 WeakPolarHBondContact O-CB 3.36Å; E275-K278 PolarHBondContact O-N 2.96Å |
| 276 | P | 63.5 | Low | 60.5 | Low | 38 Ų | 38 | 92.3 Ų | 92.3 | 25% | 0.247 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -55.7 | -28.9 | -177.6 | -25.8 | 32.4 | 0 | 0 | 0 | 113.4 | P274 K278 E279 L280 | P274-P276 WeakPolarHBondContact O-CD 3.25Å; P274-P276 VanDerWaalsContact O-N 3.16Å; P276-K278 PolarHBondContact O-N 3.26Å; P276-E279 PolarHBondContact O-N 3.3Å; P276-L280 WeakPolarHBondContact O-CB 3.47Å; P276-L280 VanDerWaalsContact O-CG 3.25Å; P276-L280 WeakPolarHBondContact O-CG 3.28Å; P276-L280 PolarHBondContact O-N 3.47Å |
| 277 | S | 67.1 | Low | 63 | Low | 41 Ų | 41 | 80.3 Ų | 80.3 | 29% | 0.287 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.8 | -35.2 | 177.8 | 60.2 | 0 | 0 | 0 | 0 | 113.1 | E275 R281 | E275-S277 PolarHBondContact O-N 3.4Å; S277-R281 WeakPolarHBondContact O-CB 3.41Å; S277-R281 VanDerWaalsContact O-CG 3.29Å; S277-R281 WeakPolarHBondContact O-CG 3.36Å; S277-R281 PolarHBondContact O-N 3.37Å; S277-R281 VanDerWaalsContact O-N 3.08Å |
| 278 | K | 76.1 | Confident | 65.7 | Low | 152 Ų | 152 | 78 Ų | 78 | 66% | 0.661 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -69.4 | -42 | 178.2 | -173.5 | -179.2 | 177.2 | -175.4 | 0 | 110.5 | E275 P276 R281 S282 | E275-K278 WeakPolarHBondContact O-CB 3.36Å; E275-K278 PolarHBondContact O-N 2.96Å; P276-K278 PolarHBondContact O-N 3.26Å; K278-R281 PolarHBondContact O-N 3.01Å; K278-S282 PolarHBondContact O-N 2.89Å |
| 279 | E | 77.4 | Confident | 68.3 | Low | 29 Ų | 29 | 72.7 Ų | 72.7 | 14% | 0.136 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -68.7 | -44.7 | 178.3 | -159.3 | 55.2 | -138.6 | 0 | 0 | 111 | M220 V223 P276 R281 S282 M283 | M220-E279 HydrophobicContact CE-CB 4.06Å; M220-E279 HydrophobicContact CE-CG 4.21Å; M220-E279 HydrophobicContact SD-CB 4.05Å; M220-E279 HydrophobicContact SD-CG 4.08Å; V223-E279 HydrophobicContact CG1-CG 3.93Å; V223-E279 VanDerWaalsContact CG1-OE1 3.26Å; V223-E279 WeakPolarHBondContact CG1-OE1 3.09Å; P276-E279 PolarHBondContact O-N 3.3Å; E279-R281 VanDerWaalsContact C-N 3.31Å; E279-R281 PolarHBondContact O-N 3.03Å; E279-S282 CarbonylContact O-C 3.55Å; E279-S282 WeakPolarHBondContact O-CA 3.44Å; E279-S282 VanDerWaalsContact O-CB 3.24Å; E279-S282 WeakPolarHBondContact O-CB 3.21Å; E279-S282 PolarHBondContact O-N 3.38Å; E279-M283 VanDerWaalsContact O-CG 3.32Å; E279-M283 WeakPolarHBondContact O-CG 3.39Å; E279-M283 PolarHBondContact O-N 2.86Å |
| 280 | L | 79 | Confident | 71 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -54.7 | -45 | 173.4 | -76 | 169.3 | 0 | 0 | 0 | 112.5 | F254 L257 M261 P276 S282 M283 L284 | F254-L280 HydrophobicContact CD1-CD2 3.33Å; F254-L280 HydrophobicContact CE1-CD2 3.6Å; F254-L280 HydrophobicContact CG-CD2 4.25Å; L257-L280 HydrophobicContact CB-CD1 4.28Å; L257-L280 HydrophobicContact CB-CD2 3.83Å; L257-L280 HydrophobicContact CB-CG 4.03Å; L257-L280 HydrophobicContact CD1-CD2 4.08Å; L257-L280 HydrophobicContact CD1-CG 4.31Å; M261-L280 HydrophobicContact CE-CD1 4.01Å; P276-L280 WeakPolarHBondContact O-CB 3.47Å; P276-L280 VanDerWaalsContact O-CG 3.25Å; P276-L280 WeakPolarHBondContact O-CG 3.28Å; P276-L280 PolarHBondContact O-N 3.47Å; L280-S282 VanDerWaalsContact C-N 3.34Å; L280-M283 PolarHBondContact O-N 3.5Å; L280-L284 WeakPolarHBondContact O-CG 3.47Å; L280-L284 PolarHBondContact O-N 3.42Å |
| 281 | R | 83.6 | Confident | 73.7 | Confident | 110 Ų | 110 | 57.4 Ų | 57.4 | 42% | 0.415 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.4 | -35.7 | 175.4 | -72.5 | 173.6 | -177.7 | 178.9 | 1.9 | 112.4 | S277 K278 E279 R285 W327 | S277-R281 WeakPolarHBondContact O-CB 3.41Å; S277-R281 VanDerWaalsContact O-CG 3.29Å; S277-R281 WeakPolarHBondContact O-CG 3.36Å; S277-R281 PolarHBondContact O-N 3.37Å; S277-R281 VanDerWaalsContact O-N 3.08Å; K278-R281 PolarHBondContact O-N 3.01Å; E279-R281 VanDerWaalsContact C-N 3.31Å; E279-R281 PolarHBondContact O-N 3.03Å; R281-R285 WeakPolarHBondContact O-CB 3.33Å; R281-R285 PolarHBondContact O-N 3.27Å; R281-W327 HydrophobicContact CB-CZ2 4.45Å; R281-W327 WeakPolarHBondContact O-CH2 3.36Å |
| 282 | S | 85.4 | Confident | 76.4 | Confident | 24 Ų | 24 | 55.1 Ų | 55.1 | 17% | 0.168 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.7 | -49 | 172.9 | -169.1 | 0 | 0 | 0 | 0 | 110.7 | K278 E279 L280 L284 R285 H286 | K278-S282 PolarHBondContact O-N 2.89Å; E279-S282 CarbonylContact O-C 3.55Å; E279-S282 WeakPolarHBondContact O-CA 3.44Å; E279-S282 VanDerWaalsContact O-CB 3.24Å; E279-S282 WeakPolarHBondContact O-CB 3.21Å; E279-S282 PolarHBondContact O-N 3.38Å; L280-S282 VanDerWaalsContact C-N 3.34Å; S282-L284 PolarHBondContact O-N 3.2Å; S282-R285 WeakPolarHBondContact O-CB 3.46Å; S282-R285 PolarHBondContact O-N 3.31Å; S282-R285 VanDerWaalsContact O-N 3.17Å; S282-H286 PolarHBondContact O-N 3.32Å; S282-H286 PolarHBondContact O-ND1 2.99Å |
| 283 | M | 86.1 | Confident | 78.6 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.2 | -48 | 177.4 | -63.8 | 179.2 | 72.7 | 0 | 0 | 111.6 | M228 L250 M253 F254 L257 E279 L280 R285 H286 L287 | M228-M283 HydrophobicContact CE-CB 3.99Å; M228-M283 HydrophobicContact CE-CE 4.13Å; M228-M283 HydrophobicContact CE-CG 3.95Å; M228-M283 HydrophobicContact CG-CG 4.06Å; M228-M283 HydrophobicContact SD-CB 4.36Å; M228-M283 HydrophobicContact SD-CE 3.97Å; M228-M283 HydrophobicContact SD-CG 3.65Å; M228-M283 HydrophobicContact SD-SD 4.45Å; L250-M283 HydrophobicContact CD2-CE 3.84Å; M253-M283 HydrophobicContact CB-CE 4.02Å; M253-M283 HydrophobicContact SD-CE 4.5Å; F254-M283 HydrophobicContact CD2-CE 3.87Å; F254-M283 HydrophobicContact CE1-CB 4.42Å; F254-M283 HydrophobicContact CE2-CB 4.04Å; F254-M283 HydrophobicContact CE2-CE 3.67Å; F254-M283 HydrophobicContact CE2-SD 4.36Å; F254-M283 HydrophobicContact CZ-CB 3.62Å; F254-M283 HydrophobicContact CZ-CE 4.28Å; F254-M283 HydrophobicContact CZ-SD 4.4Å; L257-M283 HydrophobicContact CD1-SD 3.76Å; E279-M283 VanDerWaalsContact O-CG 3.32Å; E279-M283 WeakPolarHBondContact O-CG 3.39Å; E279-M283 PolarHBondContact O-N 2.86Å; L280-M283 PolarHBondContact O-N 3.5Å; M283-R285 VanDerWaalsContact C-N 3.31Å; M283-R285 PolarHBondContact O-N 3.28Å; M283-H286 PolarHBondContact O-N 3.31Å; M283-L287 WeakPolarHBondContact O-CG 3.44Å; M283-L287 PolarHBondContact O-N 3.05Å; M283-L287 VanDerWaalsContact O-N 3.07Å |
| 284 | L | 87.8 | Confident | 80.5 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.5 | -36.7 | 177.5 | -69.4 | 172.9 | 0 | 0 | 0 | 112.4 | F254 L280 S282 L287 L288 L308 V312 L324 W327 V328 | F254-L284 HydrophobicContact CE1-CD2 3.83Å; F254-L284 HydrophobicContact CE1-CG 3.86Å; F254-L284 HydrophobicContact CZ-CD2 3.67Å; F254-L284 HydrophobicContact CZ-CG 3.85Å; L280-L284 WeakPolarHBondContact O-CG 3.47Å; L280-L284 PolarHBondContact O-N 3.42Å; S282-L284 PolarHBondContact O-N 3.2Å; L284-L287 HydrophobicContact CD2-CD1 4.48Å; L284-L287 PolarHBondContact O-N 3.44Å; L284-L288 WeakPolarHBondContact O-CB 3.41Å; L284-L288 VanDerWaalsContact O-CG 3.27Å; L284-L288 WeakPolarHBondContact O-CG 3.49Å; L284-L288 PolarHBondContact O-N 3.31Å; L284-L308 HydrophobicContact CD2-CD2 3.55Å; L284-V312 HydrophobicContact CD2-CG2 3.73Å; L284-L324 HydrophobicContact CD1-CD2 3.89Å; L284-W327 HydrophobicContact CB-CE3 4.18Å; L284-W327 HydrophobicContact CB-CH2 4.23Å; L284-W327 HydrophobicContact CB-CZ3 3.49Å; L284-W327 VanDerWaalsContact CB-CZ3 3.49Å; L284-W327 HydrophobicContact CD1-CE3 4.29Å; L284-W327 HydrophobicContact CD1-CZ3 4.42Å; L284-V328 HydrophobicContact CD1-CG2 4.22Å |
| 285 | R | 89.5 | Confident | 82.1 | Confident | 115 Ų | 115 | 54.3 Ų | 54.3 | 43% | 0.434 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.5 | -50.4 | 176.2 | -168.2 | -174.3 | -61.2 | 122.1 | 2.6 | 111.5 | R281 S282 M283 L287 L288 E289 W327 | R281-R285 WeakPolarHBondContact O-CB 3.33Å; R281-R285 PolarHBondContact O-N 3.27Å; S282-R285 WeakPolarHBondContact O-CB 3.46Å; S282-R285 PolarHBondContact O-N 3.31Å; S282-R285 VanDerWaalsContact O-N 3.17Å; M283-R285 VanDerWaalsContact C-N 3.31Å; M283-R285 PolarHBondContact O-N 3.28Å; R285-L287 VanDerWaalsContact C-N 3.32Å; R285-L287 PolarHBondContact O-N 3.08Å; R285-L288 PolarHBondContact O-N 3.39Å; R285-E289 WeakPolarHBondContact CG-OE1 2.93Å; R285-E289 WeakPolarHBondContact O-CG 3.23Å; R285-E289 PolarHBondContact O-N 3.13Å; R285-W327 HydrophobicContact CB-CH2 3.85Å; R285-W327 HydrophobicContact CG-CH2 4.5Å |
| 286 | H | 88.7 | Confident | 83.4 | Confident | 44 Ų | 44 | 48 Ų | 48 | 20% | 0.204 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.7 | -38.7 | 180 | -67.1 | 87.1 | 0 | 0 | 0 | 111.5 | M228 S282 M283 E289 M290 | M228-H286 HydrophobicContact CB-CB 4.4Å; S282-H286 PolarHBondContact O-N 3.32Å; S282-H286 PolarHBondContact O-ND1 2.99Å; M283-H286 PolarHBondContact O-N 3.31Å; H286-E289 PolarHBondContact O-N 3.1Å; H286-M290 WeakPolarHBondContact O-CB 3.3Å; H286-M290 PolarHBondContact O-N 2.73Å |
| 287 | L | 89.1 | Confident | 84.4 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.6 | -44.6 | 173.5 | -70.1 | 173.7 | 0 | 0 | 0 | 112.2 | M235 L250 F254 M283 L284 R285 E289 M290 I291 L307 L308 | M235-L287 HydrophobicContact CE-CD2 3.25Å; M235-L287 HydrophobicContact SD-CD2 4.45Å; L250-L287 HydrophobicContact CD1-CD2 4.18Å; F254-L287 HydrophobicContact CE2-CD1 3.82Å; F254-L287 HydrophobicContact CZ-CD1 4.07Å; M283-L287 WeakPolarHBondContact O-CG 3.44Å; M283-L287 PolarHBondContact O-N 3.05Å; M283-L287 VanDerWaalsContact O-N 3.07Å; L284-L287 HydrophobicContact CD2-CD1 4.48Å; L284-L287 PolarHBondContact O-N 3.44Å; R285-L287 VanDerWaalsContact C-N 3.32Å; R285-L287 PolarHBondContact O-N 3.08Å; L287-E289 VanDerWaalsContact C-N 3.33Å; L287-E289 PolarHBondContact O-N 3.3Å; L287-M290 WeakPolarHBondContact O-CB 3.38Å; L287-M290 PolarHBondContact O-N 2.94Å; L287-I291 WeakPolarHBondContact O-CG1 3.48Å; L287-I291 PolarHBondContact O-N 3.19Å; L287-L307 HydrophobicContact CD1-CD2 3.57Å; L287-L307 HydrophobicContact CD1-CG 4.29Å; L287-L307 HydrophobicContact CD2-CD2 3.98Å; L287-L307 HydrophobicContact CG-CD2 4.45Å; L287-L308 HydrophobicContact CB-CD2 4.39Å; L287-L308 HydrophobicContact CD1-CD2 4.27Å |
| 288 | L | 89.3 | Confident | 85.1 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.6 | -32 | 178.2 | -71.3 | 174.4 | 0 | 0 | 0 | 112.9 | L284 R285 I291 P292 L308 W327 V328 K335 I336 | L284-L288 WeakPolarHBondContact O-CB 3.41Å; L284-L288 VanDerWaalsContact O-CG 3.27Å; L284-L288 WeakPolarHBondContact O-CG 3.49Å; L284-L288 PolarHBondContact O-N 3.31Å; R285-L288 PolarHBondContact O-N 3.39Å; L288-I291 HydrophobicContact CD2-CD1 4.07Å; L288-P292 WeakPolarHBondContact O-CD 3.42Å; L288-L308 HydrophobicContact CD2-CD1 3.85Å; L288-W327 HydrophobicContact CD1-CH2 4.42Å; L288-W327 HydrophobicContact CD1-CZ3 3.8Å; L288-V328 HydrophobicContact CD1-CG2 4.44Å; L288-V328 HydrophobicContact CD2-CG1 4.22Å; L288-K335 HydrophobicContact CB-CD 4.49Å; L288-K335 VanDerWaalsContact O-CD 3.29Å; L288-K335 WeakPolarHBondContact O-CD 3.29Å; L288-I336 HydrophobicContact CD2-CD1 4.44Å |
| 289 | E | 89.6 | Confident | 85.4 | Confident | 94 Ų | 94 | 40.2 Ų | 40.2 | 44% | 0.439 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -71.8 | -31.2 | 173.5 | -74.2 | 170.8 | -173.2 | 0 | 0 | 112.6 | R285 H286 L287 I291 P292 | R285-E289 WeakPolarHBondContact CG-OE1 2.93Å; R285-E289 WeakPolarHBondContact O-CG 3.23Å; R285-E289 PolarHBondContact O-N 3.13Å; H286-E289 PolarHBondContact O-N 3.1Å; L287-E289 VanDerWaalsContact C-N 3.33Å; L287-E289 PolarHBondContact O-N 3.3Å; E289-I291 VanDerWaalsContact C-N 3.31Å; E289-I291 PolarHBondContact O-N 3.14Å; E289-P292 WeakPolarHBondContact O-CD 3.35Å |
| 290 | M | 87.3 | Confident | 85.6 | Confident | 12 Ų | 12 | 38.9 Ų | 38.9 | 6% | 0.059 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69 | -28.4 | 176.8 | -161.9 | -177.4 | 77.1 | 0 | 0 | 112.9 | C232 M235 H286 L287 A293 V296 G300 A304 | C232-M290 HydrophobicContact CB-SD 3.96Å; M235-M290 HydrophobicContact CE-CE 3.24Å; M235-M290 HydrophobicContact CE-SD 3.61Å; M235-M290 HydrophobicContact CG-CE 4.29Å; M235-M290 HydrophobicContact SD-CE 4.25Å; H286-M290 WeakPolarHBondContact O-CB 3.3Å; H286-M290 PolarHBondContact O-N 2.73Å; L287-M290 WeakPolarHBondContact O-CB 3.38Å; L287-M290 PolarHBondContact O-N 2.94Å; M290-A293 PolarHBondContact O-N 2.95Å; M290-V296 HydrophobicContact CE-CG1 4.22Å; M290-V296 HydrophobicContact CG-CB 4.27Å; M290-V296 HydrophobicContact CG-CG1 3.96Å; M290-V296 HydrophobicContact CG-CG2 3.34Å; M290-V296 HydrophobicContact SD-CG1 4.29Å; M290-V296 HydrophobicContact SD-CG2 4.31Å; M290-G300 WeakPolarHBondContact CE-O 3.29Å; M290-A304 HydrophobicContact CE-CB 3.19Å |
| 291 | I | 87.6 | Confident | 86 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -58.9 | -56.4 | -177.2 | -70.5 | 171.7 | 0 | 0 | 0 | 112.8 | L287 L288 E289 A293 R301 I305 L308 I336 V339 | L287-I291 WeakPolarHBondContact O-CG1 3.48Å; L287-I291 PolarHBondContact O-N 3.19Å; L288-I291 HydrophobicContact CD2-CD1 4.07Å; E289-I291 VanDerWaalsContact C-N 3.31Å; E289-I291 PolarHBondContact O-N 3.14Å; I291-A293 VanDerWaalsContact C-N 3.28Å; I291-A293 PolarHBondContact O-N 3.41Å; I291-R301 WeakPolarHBondContact O-CD 3.38Å; I291-R301 PolarHBondContact O-NE 2.88Å; I291-I305 HydrophobicContact CD1-CG1 4.38Å; I291-I305 HydrophobicContact CG1-CG1 4.41Å; I291-L308 HydrophobicContact CD1-CD1 3.59Å; I291-I336 HydrophobicContact CD1-CG1 4.26Å; I291-V339 HydrophobicContact CG2-CB 4.13Å; I291-V339 HydrophobicContact CG2-CG2 3.45Å; I291-V339 VanDerWaalsContact CG2-CG2 3.45Å |
| 292 | P | 88.4 | Confident | 86.1 | Confident | 28 Ų | 28 | 34.4 Ų | 34.4 | 18% | 0.182 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -80.9 | -3.5 | -179.1 | 32.8 | -37.3 | 0 | 0 | 0 | 114 | L288 E289 K335 | L288-P292 WeakPolarHBondContact O-CD 3.42Å; E289-P292 WeakPolarHBondContact O-CD 3.35Å; P292-K335 HydrophobicContact CG-CB 4.27Å; P292-K335 HydrophobicContact CG-CD 4.3Å; P292-K335 HydrophobicContact CG-CG 4.35Å |
| 293 | A | 86.9 | Confident | 86 | Confident | 25 Ų | 25 | 34 Ų | 34 | 21% | 0.207 | 18% | 0.176 | C | C | . | . | trans | -72 | 138.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | M290 I291 N295 V296 R301 | M290-A293 PolarHBondContact O-N 2.95Å; I291-A293 VanDerWaalsContact C-N 3.28Å; I291-A293 PolarHBondContact O-N 3.41Å; A293-N295 VanDerWaalsContact CB-OD1 3.25Å; A293-N295 WeakPolarHBondContact CB-OD1 3.36Å; A293-V296 HydrophobicContact CB-CG2 3.98Å; A293-R301 PolarHBondContact O-NH2 3.42Å | ||
| 294 | Q | 82.8 | Confident | 86 | Confident | 139 Ų | 139 | 34 Ų | 34 | 65% | 0.65 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -24.1 | -177.4 | -69.6 | -172.9 | -6.2 | 0 | 0 | 113.7 | V296 | Q294-V296 PolarHBondContact O-N 3.46Š|
| 295 | N | 81.6 | Confident | 86.1 | Confident | 144 Ų | 144 | 34 Ų | 34 | 77% | 0.77 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -5.1 | -179.2 | 62.3 | -26.1 | 0 | 0 | 0 | 113.9 | A293 | A293-N295 VanDerWaalsContact CB-OD1 3.25Å; A293-N295 WeakPolarHBondContact CB-OD1 3.36Å |
| 296 | V | 84.3 | Confident | 85.8 | Confident | 9 Ų | 9 | 29 Ų | 29 | 6% | 0.055 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -97.6 | 129.9 | -175.7 | 177.7 | 0 | 0 | 0 | 0 | 109.3 | M290 A293 Q294 R301 P351 | M290-V296 HydrophobicContact CE-CG1 4.22Å; M290-V296 HydrophobicContact CG-CB 4.27Å; M290-V296 HydrophobicContact CG-CG1 3.96Å; M290-V296 HydrophobicContact CG-CG2 3.34Å; M290-V296 HydrophobicContact SD-CG1 4.29Å; M290-V296 HydrophobicContact SD-CG2 4.31Å; A293-V296 HydrophobicContact CB-CG2 3.98Å; Q294-V296 PolarHBondContact O-N 3.46Å; V296-R301 HydrophobicContact CG1-CB 4.31Å; V296-R301 PolarHBondContact O-NH2 3.44Å; V296-P351 WeakPolarHBondContact O-CG 3.45Å |
| 297 | S | 85.9 | Confident | 85.7 | Confident | 19 Ų | 19 | 27 Ų | 27 | 13% | 0.133 | 15% | 0.148 | C | C | . | . | trans | -61.7 | 156.7 | 176.2 | 76.9 | 0 | 0 | 0 | 0 | 112.2 | G236 S237 G300 R301 | G236-S297 WeakPolarHBondContact O-CB 3.36Å; G236-S297 PolarHBondContact O-N 3.13Å; G236-S297 PolarHBondContact O-OG 3.08Å; S237-S297 WeakPolarHBondContact O-CB 3.38Å; S237-S297 PolarHBondContact O-OG 3.04Å; S297-G300 PolarHBondContact O-N 3.07Å; S297-G300 PolarHBondContact OG-N 3.06Å; S297-R301 PolarHBondContact O-N 2.82Å | ||
| 298 | G | 81.8 | Confident | 85.6 | Confident | 8 Ų | 8 | 27 Ų | 27 | 8% | 0.082 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -53.2 | -53.7 | 173 | 0 | 0 | 0 | 0 | 0 | 113.2 | G300 R301 D302 P351 | G298-G300 VanDerWaalsContact C-N 3.28Å; G298-G300 PolarHBondContact O-N 2.69Å; G298-R301 WeakPolarHBondContact O-CB 3.44Å; G298-R301 PolarHBondContact O-N 3.33Å; G298-R301 VanDerWaalsContact O-N 3.11Å; G298-D302 PolarHBondContact O-N 3.32Å; G298-P351 WeakPolarHBondContact CA-O 3.13Å; G298-P351 PolarHBondContact N-O 3.46Å |
| 299 | P | 80.6 | Confident | 85.4 | Confident | 40 Ų | 40 | 27.2 Ų | 27.2 | 26% | 0.26 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -60 | -34.9 | 177.4 | -25.4 | 34.7 | 0 | 0 | 0 | 113.9 | D302 S303 T353 | P299-D302 PolarHBondContact O-N 3.27Å; P299-S303 WeakPolarHBondContact O-CB 3.46Å; P299-S303 PolarHBondContact O-N 3.22Å; P299-S303 PolarHBondContact O-OG 2.9Å; P299-T353 HydrophobicContact CG-CG2 4.46Å |
| 300 | G | 83.2 | Confident | 85 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.7 | -41.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | M235 S243 M290 S297 G298 S303 A304 | M235-G300 WeakPolarHBondContact O-CA 3.46Å; S243-G300 VanDerWaalsContact OG-CA 3.3Å; S243-G300 WeakPolarHBondContact OG-CA 3.33Å; M290-G300 WeakPolarHBondContact CE-O 3.29Å; S297-G300 PolarHBondContact O-N 3.07Å; S297-G300 PolarHBondContact OG-N 3.06Å; G298-G300 VanDerWaalsContact C-N 3.28Å; G298-G300 PolarHBondContact O-N 2.69Å; G300-S303 PolarHBondContact O-N 2.91Å; G300-A304 PolarHBondContact O-N 2.85Å |
| 301 | R | 87.7 | Confident | 84.8 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.3 | -44.8 | 176.5 | -170.5 | 175.4 | -59.9 | 94.7 | 11.5 | 112.1 | I291 A293 V296 S297 G298 S303 A304 I305 P351 | I291-R301 WeakPolarHBondContact O-CD 3.38Å; I291-R301 PolarHBondContact O-NE 2.88Å; A293-R301 PolarHBondContact O-NH2 3.42Å; V296-R301 HydrophobicContact CG1-CB 4.31Å; V296-R301 PolarHBondContact O-NH2 3.44Å; S297-R301 PolarHBondContact O-N 2.82Å; G298-R301 WeakPolarHBondContact O-CB 3.44Å; G298-R301 PolarHBondContact O-N 3.33Å; G298-R301 VanDerWaalsContact O-N 3.11Å; R301-S303 VanDerWaalsContact C-N 3.29Å; R301-S303 PolarHBondContact O-N 3.32Å; R301-A304 VanDerWaalsContact O-CB 3.28Å; R301-A304 WeakPolarHBondContact O-CB 3.49Å; R301-A304 PolarHBondContact O-N 3.39Å; R301-A304 VanDerWaalsContact O-N 3.16Å; R301-I305 HydrophobicContact CG-CD1 4.07Å; R301-I305 WeakPolarHBondContact O-CG1 3.42Å; R301-I305 PolarHBondContact O-N 3.48Å; R301-P351 PolarHBondContact NH1-O 3.34Å |
| 302 | D | 83.8 | Confident | 84.6 | Confident | 18 Ų | 18 | 25.8 Ų | 25.8 | 10% | 0.096 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.9 | -41.1 | 176.8 | -66.5 | -20 | 0 | 0 | 0 | 111.6 | G298 P299 A304 I305 N306 T353 T356 | G298-D302 PolarHBondContact O-N 3.32Å; P299-D302 PolarHBondContact O-N 3.27Å; D302-A304 VanDerWaalsContact C-N 3.32Å; D302-A304 PolarHBondContact O-N 3.18Å; D302-I305 PolarHBondContact O-N 3.16Å; D302-N306 VanDerWaalsContact O-CB 3.31Å; D302-N306 WeakPolarHBondContact O-CB 3.28Å; D302-N306 PolarHBondContact O-N 3.04Å; D302-T353 WeakPolarHBondContact OD2-CB 3.33Å; D302-T353 VanDerWaalsContact OD2-CG2 3.23Å; D302-T353 WeakPolarHBondContact OD2-CG2 3.35Å; D302-T353 PolarHBondContact OD2-OG1 3.2Å; D302-T356 VanDerWaalsContact OD1-CA 3.24Å; D302-T356 WeakPolarHBondContact OD1-CA 3.45Å; D302-T356 VanDerWaalsContact OD1-CB 3.3Å; D302-T356 WeakPolarHBondContact OD1-CB 3.44Å; D302-T356 PolarHBondContact OD1-OG1 3.01Å |
| 303 | S | 83.8 | Confident | 84.2 | Confident | 14 Ų | 14 | 25.2 Ų | 25.2 | 10% | 0.098 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.2 | -39.7 | 175.7 | -63 | 0 | 0 | 0 | 0 | 111.9 | S243 C247 P299 G300 R301 N306 L307 | S243-S303 PolarHBondContact OG-OG 3Å; C247-S303 PolarHBondContact SG-O 2.89Å; C247-S303 VanDerWaalsContact SG-O 3.42Å; P299-S303 WeakPolarHBondContact O-CB 3.46Å; P299-S303 PolarHBondContact O-N 3.22Å; P299-S303 PolarHBondContact O-OG 2.9Å; G300-S303 PolarHBondContact O-N 2.91Å; R301-S303 VanDerWaalsContact C-N 3.29Å; R301-S303 PolarHBondContact O-N 3.32Å; S303-N306 PolarHBondContact O-N 3.06Å; S303-L307 WeakPolarHBondContact O-CB 3.25Å; S303-L307 PolarHBondContact O-N 3.43Å |
| 304 | A | 87.5 | Confident | 83.7 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.3 | -47 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | M235 M290 G300 R301 D302 N306 L307 L308 | M235-A304 HydrophobicContact CE-CB 4.3Å; M290-A304 HydrophobicContact CE-CB 3.19Å; G300-A304 PolarHBondContact O-N 2.85Å; R301-A304 VanDerWaalsContact O-CB 3.28Å; R301-A304 WeakPolarHBondContact O-CB 3.49Å; R301-A304 PolarHBondContact O-N 3.39Å; R301-A304 VanDerWaalsContact O-N 3.16Å; D302-A304 VanDerWaalsContact C-N 3.32Å; D302-A304 PolarHBondContact O-N 3.18Å; A304-N306 VanDerWaalsContact C-N 3.33Å; A304-L307 WeakPolarHBondContact O-CB 3.33Å; A304-L307 PolarHBondContact O-N 3.13Å; A304-L308 WeakPolarHBondContact O-CG 3.5Å; A304-L308 PolarHBondContact O-N 2.94Å |
| 305 | I | 88.1 | Confident | 83 | Confident | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.9 | -44.2 | 178.5 | -65.9 | 163 | 0 | 0 | 0 | 109.3 | I291 R301 D302 L307 L308 V309 T356 S359 L363 | I291-I305 HydrophobicContact CD1-CG1 4.38Å; I291-I305 HydrophobicContact CG1-CG1 4.41Å; R301-I305 HydrophobicContact CG-CD1 4.07Å; R301-I305 WeakPolarHBondContact O-CG1 3.42Å; R301-I305 PolarHBondContact O-N 3.48Å; D302-I305 PolarHBondContact O-N 3.16Å; I305-L307 VanDerWaalsContact C-N 3.32Å; I305-L307 PolarHBondContact O-N 3.31Å; I305-L308 WeakPolarHBondContact O-CB 3.3Å; I305-L308 PolarHBondContact O-N 3.41Å; I305-L308 VanDerWaalsContact O-N 3.16Å; I305-V309 HydrophobicContact CG2-CG2 4.37Å; I305-V309 VanDerWaalsContact O-CG2 3.26Å; I305-V309 WeakPolarHBondContact O-CG2 3.49Å; I305-V309 PolarHBondContact O-N 3.35Å; I305-T356 HydrophobicContact CD1-CG2 3.96Å; I305-S359 WeakPolarHBondContact CG2-O 3.3Å; I305-L363 HydrophobicContact CG2-CB 4.17Å; I305-L363 HydrophobicContact CG2-CD2 4.07Å |
| 306 | N | 84.4 | Confident | 82.2 | Confident | 11 Ų | 11 | 22.1 Ų | 22.1 | 6% | 0.059 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.4 | -41.8 | 176.2 | -169.6 | 13.8 | 0 | 0 | 0 | 112.3 | D302 S303 A304 L308 V309 K310 E644 P646 | D302-N306 VanDerWaalsContact O-CB 3.31Å; D302-N306 WeakPolarHBondContact O-CB 3.28Å; D302-N306 PolarHBondContact O-N 3.04Å; S303-N306 PolarHBondContact O-N 3.06Å; A304-N306 VanDerWaalsContact C-N 3.33Å; N306-L308 VanDerWaalsContact C-N 3.33Å; N306-L308 PolarHBondContact O-N 3.32Å; N306-V309 WeakPolarHBondContact O-CB 3.42Å; N306-V309 PolarHBondContact O-N 2.9Å; N306-K310 WeakPolarHBondContact O-CG 3.47Å; N306-K310 PolarHBondContact O-N 3.02Å; N306-E644 PolarHBondContact ND2-O 3.4Å; N306-P646 HydrophobicContact CB-CB 4.07Å; N306-P646 HydrophobicContact CB-CG 3.83Å; N306-P646 VanDerWaalsContact CG-CD 3.48Å |
| 307 | L | 85.6 | Confident | 81.4 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61 | -43.6 | 175.7 | -176.2 | 63 | 0 | 0 | 0 | 111.4 | L250 Q251 F254 L287 S303 A304 I305 K310 Q311 | L250-L307 HydrophobicContact CB-CD1 4.41Å; L250-L307 HydrophobicContact CB-CD2 3.53Å; L250-L307 HydrophobicContact CD1-CD2 3.88Å; L250-L307 HydrophobicContact CG-CD2 4.37Å; Q251-L307 HydrophobicContact CB-CD1 3.72Å; F254-L307 HydrophobicContact CD2-CD1 4.47Å; F254-L307 HydrophobicContact CD2-CD2 4.46Å; F254-L307 HydrophobicContact CE2-CD2 4.26Å; L287-L307 HydrophobicContact CD1-CD2 3.57Å; L287-L307 HydrophobicContact CD1-CG 4.29Å; L287-L307 HydrophobicContact CD2-CD2 3.98Å; L287-L307 HydrophobicContact CG-CD2 4.45Å; S303-L307 WeakPolarHBondContact O-CB 3.25Å; S303-L307 PolarHBondContact O-N 3.43Å; A304-L307 WeakPolarHBondContact O-CB 3.33Å; A304-L307 PolarHBondContact O-N 3.13Å; I305-L307 VanDerWaalsContact C-N 3.32Å; I305-L307 PolarHBondContact O-N 3.31Å; L307-K310 PolarHBondContact O-N 3.39Å; L307-Q311 HydrophobicContact CD1-CG 3.79Å; L307-Q311 HydrophobicContact CG-CG 4.47Å; L307-Q311 WeakPolarHBondContact O-CB 3.41Å; L307-Q311 WeakPolarHBondContact O-CG 3.39Å; L307-Q311 PolarHBondContact O-N 3.32Å |
| 308 | L | 87.7 | Confident | 80.3 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.3 | -42.9 | 175 | -65.8 | 174.5 | 0 | 0 | 0 | 111.7 | L284 L287 L288 I291 A304 I305 N306 K310 Q311 V312 P313 L363 | L284-L308 HydrophobicContact CD2-CD2 3.55Å; L287-L308 HydrophobicContact CB-CD2 4.39Å; L287-L308 HydrophobicContact CD1-CD2 4.27Å; L288-L308 HydrophobicContact CD2-CD1 3.85Å; I291-L308 HydrophobicContact CD1-CD1 3.59Å; A304-L308 WeakPolarHBondContact O-CG 3.5Å; A304-L308 PolarHBondContact O-N 2.94Å; I305-L308 WeakPolarHBondContact O-CB 3.3Å; I305-L308 PolarHBondContact O-N 3.41Å; I305-L308 VanDerWaalsContact O-N 3.16Å; N306-L308 VanDerWaalsContact C-N 3.33Å; N306-L308 PolarHBondContact O-N 3.32Å; L308-K310 PolarHBondContact O-N 3.33Å; L308-Q311 PolarHBondContact O-N 2.95Å; L308-V312 HydrophobicContact CB-CG2 4.2Å; L308-V312 HydrophobicContact CD2-CG2 3.72Å; L308-V312 VanDerWaalsContact O-CB 3.3Å; L308-V312 WeakPolarHBondContact O-CB 3.46Å; L308-V312 WeakPolarHBondContact O-CG2 3.38Å; L308-V312 PolarHBondContact O-N 2.92Å; L308-P313 VanDerWaalsContact O-CD 3.31Å; L308-P313 WeakPolarHBondContact O-CD 3.25Å; L308-L363 HydrophobicContact CB-CD1 3.92Å; L308-L363 HydrophobicContact CB-CD2 4.14Å; L308-L363 HydrophobicContact CD1-CD2 4.15Å |
| 309 | V | 85.8 | Confident | 79.6 | Confident | 6 Ų | 6 | 39 Ų | 39 | 4% | 0.036 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.3 | -38.2 | 176.7 | 170.1 | 0 | 0 | 0 | 0 | 111.6 | I305 N306 P313 V362 L363 K366 | I305-V309 HydrophobicContact CG2-CG2 4.37Å; I305-V309 VanDerWaalsContact O-CG2 3.26Å; I305-V309 WeakPolarHBondContact O-CG2 3.49Å; I305-V309 PolarHBondContact O-N 3.35Å; N306-V309 WeakPolarHBondContact O-CB 3.42Å; N306-V309 PolarHBondContact O-N 2.9Å; V309-P313 WeakPolarHBondContact O-CD 3.45Å; V309-V362 HydrophobicContact CG1-CG1 3.94Å; V309-V362 HydrophobicContact CG2-CG1 4.41Å; V309-L363 HydrophobicContact CG2-CB 3.61Å; V309-L363 HydrophobicContact CG2-CD1 3.9Å; V309-L363 HydrophobicContact CG2-CG 4.3Å; V309-K366 HydrophobicContact CG1-CD 3.88Å |
| 310 | K | 81 | Confident | 78.8 | Confident | 50 Ų | 50 | 42 Ų | 42 | 22% | 0.217 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -83.2 | -37.8 | -177.5 | -72.9 | -179.3 | 176 | 179.8 | 0 | 113.8 | N306 L307 L308 E644 | N306-K310 WeakPolarHBondContact O-CG 3.47Å; N306-K310 PolarHBondContact O-N 3.02Å; L307-K310 PolarHBondContact O-N 3.39Å; L308-K310 PolarHBondContact O-N 3.33Å; K310-E644 IonicContact NZ-OE2 3.11Å; K310-E644 PolarHBondContact NZ-OE2 3.24Å |
| 311 | Q | 83.4 | Confident | 78.3 | Confident | 22 Ų | 22 | 45.7 Ų | 45.7 | 10% | 0.103 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -102.5 | -26 | -167.6 | -60.7 | -56.4 | -35.7 | 0 | 0 | 114.7 | F254 L307 L308 | F254-Q311 HydrophobicContact CB-CB 4.38Å; F254-Q311 HydrophobicContact CB-CG 3.93Å; F254-Q311 HydrophobicContact CD1-CB 4.33Å; F254-Q311 HydrophobicContact CD2-CG 4.44Å; F254-Q311 HydrophobicContact CG-CB 4.25Å; F254-Q311 HydrophobicContact CG-CG 4.13Å; L307-Q311 HydrophobicContact CD1-CG 3.79Å; L307-Q311 HydrophobicContact CG-CG 4.47Å; L307-Q311 WeakPolarHBondContact O-CB 3.41Å; L307-Q311 WeakPolarHBondContact O-CG 3.39Å; L307-Q311 PolarHBondContact O-N 3.32Å; L308-Q311 PolarHBondContact O-N 2.95Å |
| 312 | V | 82.5 | Confident | 77.9 | Confident | 5 Ų | 5 | 46.7 Ų | 46.7 | 3% | 0.03 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -80.4 | -52.6 | -176.2 | 179.4 | 0 | 0 | 0 | 0 | 112 | L284 L308 L324 S325 V328 L367 | L284-V312 HydrophobicContact CD2-CG2 3.73Å; L308-V312 HydrophobicContact CB-CG2 4.2Å; L308-V312 HydrophobicContact CD2-CG2 3.72Å; L308-V312 VanDerWaalsContact O-CB 3.3Å; L308-V312 WeakPolarHBondContact O-CB 3.46Å; L308-V312 WeakPolarHBondContact O-CG2 3.38Å; L308-V312 PolarHBondContact O-N 2.92Å; V312-L324 HydrophobicContact CG1-CB 4.39Å; V312-S325 PolarHBondContact O-OG 3.44Å; V312-V328 HydrophobicContact CG1-CB 4.06Å; V312-V328 HydrophobicContact CG1-CG2 3.78Å; V312-V328 HydrophobicContact CG2-CG2 3.96Å; V312-L367 HydrophobicContact CG1-CD2 3.77Å |
| 313 | P | 80.9 | Confident | 77.6 | Confident | 17 Ų | 17 | 47.8 Ų | 47.8 | 11% | 0.11 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -67.1 | 149.3 | 178.9 | -16.5 | 31.9 | 0 | 0 | 0 | 111.5 | L308 V309 K315 K366 | L308-P313 VanDerWaalsContact O-CD 3.31Å; L308-P313 WeakPolarHBondContact O-CD 3.25Å; V309-P313 WeakPolarHBondContact O-CD 3.45Å; P313-K315 PolarHBondContact O-N 2.92Å; P313-K366 HydrophobicContact CB-CB 4.24Å; P313-K366 HydrophobicContact CG-CB 3.65Å; P313-K366 HydrophobicContact CG-CD 4.12Å |
| 314 | R | 75.7 | Confident | 77.4 | Confident | 34 Ų | 34 | 48.7 Ų | 48.7 | 13% | 0.128 | 25% | 0.252 | C | S | . | . | trans | -67.4 | 128.7 | 179.8 | -66.8 | 173.5 | -77.3 | 150.8 | 2.1 | 110.8 | S316 L317 N319 D321 D370 | R314-S316 PolarHBondContact O-N 3.35Å; R314-L317 PolarHBondContact NH1-O 3.2Å; R314-N319 WeakPolarHBondContact CD-O 3.43Å; R314-N319 PolarHBondContact NH1-O 3.31Å; R314-D321 WeakPolarHBondContact CD-O 3.36Å; R314-D321 WeakPolarHBondContact CG-O 3.32Å; R314-D370 WeakPolarHBondContact CB-OD1 3.41Å; R314-D370 WeakPolarHBondContact CG-OD1 3.45Å; R314-D370 IonicContact CZ-OD1 3.86Å; R314-D370 VanDerWaalsContact CZ-OD1 3.28Å; R314-D370 PolarHBondContact N-OD1 3.11Å; R314-D370 IonicContact NE-OD1 3.98Å; R314-D370 PolarHBondContact NE-OD1 3.05Å; R314-D370 IonicContact NE-OD2 2.71Å; R314-D370 PolarHBondContact NE-OD2 3.12Å; R314-D370 PolarHBondContact NH2-O 3.19Å; R314-D370 IonicContact NH2-OD1 3.69Å; R314-D370 PolarHBondContact NH2-OD1 3.08Å; R314-D370 VanDerWaalsContact NH2-OD1 3.16Å | ||
| 315 | K | 68.6 | Low | 77.2 | Confident | 151 Ų | 151 | 48.7 Ų | 48.7 | 66% | 0.657 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -57.3 | -21.9 | 172.1 | -65.3 | -171.6 | 178.9 | -175.4 | 0 | 113.5 | E255 P313 | E255-K315 IonicContact OE1-NZ 2.9Å; E255-K315 PolarHBondContact OE1-NZ 2.95Å; P313-K315 PolarHBondContact O-N 2.92Å |
| 316 | S | 64.6 | Low | 77 | Confident | 58 Ų | 58 | 51.2 Ų | 51.2 | 41% | 0.406 | 27% | 0.265 | S | S | . | . | trans | -148.4 | 131.5 | 172.5 | -176.9 | 0 | 0 | 0 | 0 | 110.4 | R314 K318 N319 | R314-S316 PolarHBondContact O-N 3.35Å; S316-K318 PolarHBondContact O-N 3.31Å; S316-K318 PolarHBondContact OG-N 2.93Å; S316-N319 PolarHBondContact O-N 3.06Å | ||
| 317 | L | 67.5 | Low | 77 | Confident | 126 Ų | 126 | 52.9 Ų | 52.9 | 66% | 0.66 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -15.6 | 175.5 | -64.5 | 174.7 | 0 | 0 | 0 | 113.1 | R314 N319 | R314-L317 PolarHBondContact NH1-O 3.2Å; L317-N319 PolarHBondContact O-N 3.27Å |
| 318 | K | 61.9 | Low | 77 | Confident | 195 Ų | 195 | 52.8 Ų | 52.8 | 85% | 0.848 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -21.2 | 173.2 | -63.8 | -178.2 | 179.8 | 178.8 | 0 | 113.1 | S316 | S316-K318 PolarHBondContact O-N 3.31Å; S316-K318 PolarHBondContact OG-N 2.93Å |
| 319 | N | 67.2 | Low | 76.9 | Confident | 69 Ų | 69 | 53.1 Ų | 53.1 | 37% | 0.369 | 27% | 0.272 | S | S | . | . | trans | -77.9 | 125.6 | 176.7 | -172.8 | -1.3 | 0 | 0 | 0 | 110.9 | R314 S316 L317 D321 | R314-N319 WeakPolarHBondContact CD-O 3.43Å; R314-N319 PolarHBondContact NH1-O 3.31Å; S316-N319 PolarHBondContact O-N 3.06Å; L317-N319 PolarHBondContact O-N 3.27Å; N319-D321 VanDerWaalsContact C-N 3.33Å; N319-D321 PolarHBondContact O-N 2.86Å; N319-D321 PolarHBondContact OD1-N 3.5Å | ||
| 320 | P | 63.1 | Low | 76.9 | Confident | 104 Ų | 104 | 57.8 Ų | 57.8 | 68% | 0.675 | 30% | 0.297 | S | S | * | . | trans | -71.7 | -15.3 | -179.9 | 27.5 | -35.7 | 0 | 0 | 0 | 115.4 | K372 | P320-K372 PolarHBondContact O-NZ 3.38Š| ||
| 321 | D | 73.3 | Confident | 77.1 | Confident | 77 Ų | 77 | 61 Ų | 61 | 41% | 0.412 | 31% | 0.313 | S | S | . | . | trans | -93 | 107.4 | -174.7 | -174.3 | 8.8 | 0 | 0 | 0 | 113.6 | R314 N319 S323 | R314-D321 WeakPolarHBondContact CD-O 3.36Å; R314-D321 WeakPolarHBondContact CG-O 3.32Å; N319-D321 VanDerWaalsContact C-N 3.33Å; N319-D321 PolarHBondContact O-N 2.86Å; N319-D321 PolarHBondContact OD1-N 3.5Å; D321-S323 WeakPolarHBondContact OD1-CB 3.5Å; D321-S323 PolarHBondContact OD1-N 3.12Å; D321-S323 PolarHBondContact OD1-OG 3.3Å | ||
| 322 | N | 78.8 | Confident | 77.2 | Confident | 20 Ų | 20 | 60 Ų | 60 | 11% | 0.107 | 31% | 0.308 | C | S | . | . | trans | -108.2 | 20.9 | 173.9 | 67.2 | -26.8 | 0 | 0 | 0 | 113.2 | L324 S325 L326 E376 | N322-L324 VanDerWaalsContact C-N 3.31Å; N322-L324 PolarHBondContact O-N 3.18Å; N322-S325 PolarHBondContact O-N 3.39Å; N322-L326 PolarHBondContact O-N 3Å; N322-E376 PolarHBondContact ND2-OE2 2.72Å | ||
| 323 | S | 78.3 | Confident | 77.5 | Confident | 42 Ų | 42 | 59.9 Ų | 59.9 | 29% | 0.294 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.9 | -32.7 | -173.2 | 60 | 0 | 0 | 0 | 0 | 114.6 | D321 W327 | D321-S323 WeakPolarHBondContact OD1-CB 3.5Å; D321-S323 PolarHBondContact OD1-N 3.12Å; D321-S323 PolarHBondContact OD1-OG 3.3Å; S323-W327 WeakPolarHBondContact O-CB 3.33Å; S323-W327 PolarHBondContact O-N 3.04Å; S323-W327 VanDerWaalsContact O-N 3.08Å |
| 324 | L | 79.6 | Confident | 77.9 | Confident | 32 Ų | 32 | 64.4 Ų | 64.4 | 17% | 0.168 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68 | -44.5 | 177.6 | -64.7 | 178.6 | 0 | 0 | 0 | 111.9 | L284 V312 N322 W327 V328 | L284-L324 HydrophobicContact CD1-CD2 3.89Å; V312-L324 HydrophobicContact CG1-CB 4.39Å; N322-L324 VanDerWaalsContact C-N 3.31Å; N322-L324 PolarHBondContact O-N 3.18Å; L324-W327 PolarHBondContact O-N 3.29Å; L324-V328 WeakPolarHBondContact O-CG2 3.06Å; L324-V328 PolarHBondContact O-N 2.96Å |
| 325 | S | 82.9 | Confident | 78.6 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.007 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61 | -46 | 177.8 | -56.6 | 0 | 0 | 0 | 0 | 111.5 | V312 N322 W327 V328 I329 D370 | V312-S325 PolarHBondContact O-OG 3.44Å; N322-S325 PolarHBondContact O-N 3.39Å; S325-W327 VanDerWaalsContact C-N 3.35Å; S325-W327 PolarHBondContact O-N 3.36Å; S325-V328 PolarHBondContact O-N 3.37Å; S325-I329 WeakPolarHBondContact O-CD1 3.34Å; S325-I329 VanDerWaalsContact O-CG1 3.24Å; S325-I329 WeakPolarHBondContact O-CG1 3.3Å; S325-I329 PolarHBondContact O-N 3.06Å; S325-D370 VanDerWaalsContact CB-OD2 3.24Å; S325-D370 WeakPolarHBondContact CB-OD2 3.33Å; S325-D370 PolarHBondContact OG-OD2 2.89Å |
| 326 | L | 83.6 | Confident | 79.6 | Confident | 53 Ų | 53 | 58.5 Ų | 58.5 | 28% | 0.277 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.6 | -44.3 | 176.2 | -64.9 | 176.1 | 0 | 0 | 0 | 111.8 | N322 V328 I329 D330 L371 E376 | N322-L326 PolarHBondContact O-N 3Å; L326-V328 PolarHBondContact O-N 2.97Å; L326-I329 PolarHBondContact O-N 2.95Å; L326-D330 PolarHBondContact O-N 3.33Å; L326-L371 HydrophobicContact CD2-CD2 4.01Å; L326-E376 HydrophobicContact CD2-CG 3.86Å |
| 327 | W | 85.9 | Confident | 80.8 | Confident | 46 Ų | 46 | 55.7 Ų | 55.7 | 17% | 0.174 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64 | -40.8 | 179.3 | -173.3 | 85.8 | 0 | 0 | 0 | 112.7 | R281 L284 R285 L288 S323 L324 S325 D330 Q331 | R281-W327 HydrophobicContact CB-CZ2 4.45Å; R281-W327 WeakPolarHBondContact O-CH2 3.36Å; L284-W327 HydrophobicContact CB-CE3 4.18Å; L284-W327 HydrophobicContact CB-CH2 4.23Å; L284-W327 HydrophobicContact CB-CZ3 3.49Å; L284-W327 VanDerWaalsContact CB-CZ3 3.49Å; L284-W327 HydrophobicContact CD1-CE3 4.29Å; L284-W327 HydrophobicContact CD1-CZ3 4.42Å; R285-W327 HydrophobicContact CB-CH2 3.85Å; R285-W327 HydrophobicContact CG-CH2 4.5Å; L288-W327 HydrophobicContact CD1-CH2 4.42Å; L288-W327 HydrophobicContact CD1-CZ3 3.8Å; S323-W327 WeakPolarHBondContact O-CB 3.33Å; S323-W327 PolarHBondContact O-N 3.04Å; S323-W327 VanDerWaalsContact O-N 3.08Å; L324-W327 PolarHBondContact O-N 3.29Å; S325-W327 VanDerWaalsContact C-N 3.35Å; S325-W327 PolarHBondContact O-N 3.36Å; W327-D330 PolarHBondContact O-N 3.01Å; W327-Q331 HydrophobicContact CD2-CG 4.39Å; W327-Q331 HydrophobicContact CZ2-CG 4.15Å; W327-Q331 WeakPolarHBondContact O-CB 3.38Å; W327-Q331 PolarHBondContact O-N 3.17Å |
| 328 | V | 84.6 | Confident | 81.8 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.4 | -36.2 | 175.7 | 169.3 | 0 | 0 | 0 | 0 | 111.4 | L284 L288 V312 L324 S325 L326 G332 L333 I336 L367 | L284-V328 HydrophobicContact CD1-CG2 4.22Å; L288-V328 HydrophobicContact CD1-CG2 4.44Å; L288-V328 HydrophobicContact CD2-CG1 4.22Å; V312-V328 HydrophobicContact CG1-CB 4.06Å; V312-V328 HydrophobicContact CG1-CG2 3.78Å; V312-V328 HydrophobicContact CG2-CG2 3.96Å; L324-V328 WeakPolarHBondContact O-CG2 3.06Å; L324-V328 PolarHBondContact O-N 2.96Å; S325-V328 PolarHBondContact O-N 3.37Å; L326-V328 PolarHBondContact O-N 2.97Å; V328-G332 CarbonylContact O-C 3.53Å; V328-G332 WeakPolarHBondContact O-CA 3.45Å; V328-G332 PolarHBondContact O-N 3.32Å; V328-L333 PolarHBondContact O-N 3.14Å; V328-I336 HydrophobicContact CG1-CD1 4.45Å; V328-L367 HydrophobicContact CG1-CD1 4.17Å; V328-L367 HydrophobicContact CG1-CD2 4.34Å |
| 329 | I | 86.3 | Confident | 83 | Confident | 8 Ų | 8 | 44.1 Ų | 44.1 | 4% | 0.041 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.9 | -49.6 | 174.4 | -71.2 | 164.4 | 0 | 0 | 0 | 110.2 | S325 L326 Q331 L333 L367 L371 F380 L383 | S325-I329 WeakPolarHBondContact O-CD1 3.34Å; S325-I329 VanDerWaalsContact O-CG1 3.24Å; S325-I329 WeakPolarHBondContact O-CG1 3.3Å; S325-I329 PolarHBondContact O-N 3.06Å; L326-I329 PolarHBondContact O-N 2.95Å; I329-Q331 PolarHBondContact O-N 3.49Å; I329-L333 HydrophobicContact CG2-CD2 4.21Å; I329-L333 WeakPolarHBondContact O-CB 3.31Å; I329-L333 PolarHBondContact O-N 3.22Å; I329-L367 HydrophobicContact CD1-CB 4.44Å; I329-L367 HydrophobicContact CG1-CB 4.47Å; I329-L367 HydrophobicContact CG1-CD1 4.49Å; I329-L371 HydrophobicContact CD1-CD1 4.45Å; I329-L371 HydrophobicContact CD1-CD2 3.59Å; I329-L371 HydrophobicContact CD1-CG 4.36Å; I329-F380 HydrophobicContact CD1-CD2 4.02Å; I329-F380 HydrophobicContact CD1-CE2 4.5Å; I329-F380 HydrophobicContact CG1-CD2 4.13Å; I329-F380 HydrophobicContact CG1-CE2 4.35Å; I329-F380 HydrophobicContact CG2-CD2 4.1Å; I329-L383 HydrophobicContact CG2-CD1 4.25Å |
| 330 | D | 85 | Confident | 83.9 | Confident | 103 Ų | 103 | 40.9 Ų | 40.9 | 55% | 0.551 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -64.4 | -39.8 | -176.7 | -73.4 | -17.4 | 0 | 0 | 0 | 113 | L326 W327 | L326-D330 PolarHBondContact O-N 3.33Å; W327-D330 PolarHBondContact O-N 3.01Å |
| 331 | Q | 84.6 | Confident | 84.8 | Confident | 119 Ų | 119 | 36 Ų | 36 | 56% | 0.556 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -99.6 | -22.9 | -174.3 | -61.7 | -61.7 | -48.4 | 0 | 0 | 114.1 | W327 I329 | W327-Q331 HydrophobicContact CD2-CG 4.39Å; W327-Q331 HydrophobicContact CZ2-CG 4.15Å; W327-Q331 WeakPolarHBondContact O-CB 3.38Å; W327-Q331 PolarHBondContact O-N 3.17Å; I329-Q331 PolarHBondContact O-N 3.49Å |
| 332 | G | 86.1 | Confident | 85.4 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -117.8 | -24.2 | -165.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | V328 K334 K335 I336 | V328-G332 CarbonylContact O-C 3.53Å; V328-G332 WeakPolarHBondContact O-CA 3.45Å; V328-G332 PolarHBondContact O-N 3.32Å; G332-K334 VanDerWaalsContact C-N 3.35Å; G332-K334 PolarHBondContact O-N 2.69Å; G332-K335 WeakPolarHBondContact O-CA 3.48Å; G332-K335 WeakPolarHBondContact O-CB 3.46Å; G332-K335 PolarHBondContact O-N 3.07Å; G332-I336 WeakPolarHBondContact O-CG1 3.28Å; G332-I336 PolarHBondContact O-N 3.42Å |
| 333 | L | 89.1 | Confident | 85.3 | Confident | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -55.9 | -46.1 | -171.8 | -178.8 | 59.6 | 0 | 0 | 0 | 112.6 | V328 I329 K335 I336 L337 L364 F380 L383 | V328-L333 PolarHBondContact O-N 3.14Å; I329-L333 HydrophobicContact CG2-CD2 4.21Å; I329-L333 WeakPolarHBondContact O-CB 3.31Å; I329-L333 PolarHBondContact O-N 3.22Å; L333-K335 VanDerWaalsContact C-N 3.31Å; L333-K335 PolarHBondContact O-N 3.48Å; L333-I336 PolarHBondContact O-N 2.94Å; L333-L337 HydrophobicContact CD1-CD1 4.25Å; L333-L337 HydrophobicContact CD1-CG 4.2Å; L333-L337 HydrophobicContact CG-CD1 4.05Å; L333-L337 HydrophobicContact CG-CG 4.43Å; L333-L337 WeakPolarHBondContact O-CG 3.48Å; L333-L337 PolarHBondContact O-N 3.45Å; L333-L364 HydrophobicContact CD1-CD2 3.45Å; L333-L364 VanDerWaalsContact CD1-CD2 3.45Å; L333-F380 HydrophobicContact CD1-CE2 3.73Å; L333-F380 HydrophobicContact CD1-CZ 4.01Å; L333-F380 HydrophobicContact CD2-CD2 3.95Å; L333-F380 HydrophobicContact CD2-CE2 3.98Å; L333-L383 HydrophobicContact CD2-CB 3.74Å; L333-L383 HydrophobicContact CD2-CD1 4.05Å |
| 334 | K | 89.2 | Confident | 84.8 | Confident | 113 Ų | 113 | 34 Ų | 34 | 49% | 0.491 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -61.2 | -37.2 | 177.2 | -65.9 | -173.6 | 179.2 | -172.2 | 0 | 112.9 | G332 L337 Q338 | G332-K334 VanDerWaalsContact C-N 3.35Å; G332-K334 PolarHBondContact O-N 2.69Å; K334-L337 PolarHBondContact O-N 3.47Å; K334-Q338 WeakPolarHBondContact O-CB 2.97Å; K334-Q338 PolarHBondContact O-N 2.91Å |
| 335 | K | 90 | Very high | 84 | Confident | 59 Ų | 59 | 38.1 Ų | 38.1 | 26% | 0.257 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -69.5 | -37.5 | 177.7 | -61.1 | -177.2 | -178.1 | 178.9 | 0 | 111.4 | L288 P292 G332 L333 V339 | L288-K335 HydrophobicContact CB-CD 4.49Å; L288-K335 VanDerWaalsContact O-CD 3.29Å; L288-K335 WeakPolarHBondContact O-CD 3.29Å; P292-K335 HydrophobicContact CG-CB 4.27Å; P292-K335 HydrophobicContact CG-CD 4.3Å; P292-K335 HydrophobicContact CG-CG 4.35Å; G332-K335 WeakPolarHBondContact O-CA 3.48Å; G332-K335 WeakPolarHBondContact O-CB 3.46Å; G332-K335 PolarHBondContact O-N 3.07Å; L333-K335 VanDerWaalsContact C-N 3.31Å; L333-K335 PolarHBondContact O-N 3.48Å; K335-V339 PolarHBondContact O-N 3.49Å |
| 336 | I | 90.1 | Very high | 83 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.8 | -46.2 | 175.2 | -63 | 163.2 | 0 | 0 | 0 | 110 | L288 I291 V328 G332 L333 Q338 V339 A340 L363 L364 L367 | L288-I336 HydrophobicContact CD2-CD1 4.44Å; I291-I336 HydrophobicContact CD1-CG1 4.26Å; V328-I336 HydrophobicContact CG1-CD1 4.45Å; G332-I336 WeakPolarHBondContact O-CG1 3.28Å; G332-I336 PolarHBondContact O-N 3.42Å; L333-I336 PolarHBondContact O-N 2.94Å; I336-Q338 VanDerWaalsContact C-N 3.29Å; I336-Q338 PolarHBondContact O-N 3.32Å; I336-V339 PolarHBondContact O-N 2.95Å; I336-A340 PolarHBondContact O-N 3.46Å; I336-L363 HydrophobicContact CD1-CD2 3.7Å; I336-L363 HydrophobicContact CD1-CG 4.43Å; I336-L363 HydrophobicContact CG1-CD2 4.18Å; I336-L363 HydrophobicContact CG2-CD2 4.35Å; I336-L364 HydrophobicContact CG2-CD2 4Å; I336-L364 HydrophobicContact CG2-CG 4.16Å; I336-L367 HydrophobicContact CD1-CD1 4.31Å |
| 337 | L | 89 | Confident | 81.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.3 | -33.6 | 178 | -67.8 | 174.1 | 0 | 0 | 0 | 112.5 | L333 K334 V339 A340 G341 L364 Y387 T406 L410 | L333-L337 HydrophobicContact CD1-CD1 4.25Å; L333-L337 HydrophobicContact CD1-CG 4.2Å; L333-L337 HydrophobicContact CG-CD1 4.05Å; L333-L337 HydrophobicContact CG-CG 4.43Å; L333-L337 WeakPolarHBondContact O-CG 3.48Å; L333-L337 PolarHBondContact O-N 3.45Å; K334-L337 PolarHBondContact O-N 3.47Å; L337-V339 VanDerWaalsContact C-N 3.34Å; L337-V339 PolarHBondContact O-N 3.4Å; L337-A340 PolarHBondContact O-N 3.33Å; L337-G341 PolarHBondContact O-N 3.34Å; L337-L364 HydrophobicContact CD2-CD1 4.06Å; L337-L364 HydrophobicContact CD2-CD2 4.42Å; L337-Y387 HydrophobicContact CB-CD1 3.73Å; L337-Y387 HydrophobicContact CB-CE1 3.64Å; L337-Y387 HydrophobicContact CB-CE2 4.44Å; L337-Y387 HydrophobicContact CB-CG 4.18Å; L337-Y387 HydrophobicContact CD1-CD1 3.94Å; L337-Y387 HydrophobicContact CD1-CG 3.9Å; L337-Y387 HydrophobicContact CG-CD1 4.41Å; L337-T406 HydrophobicContact CD2-CG2 3.87Å; L337-L410 HydrophobicContact CD2-CD2 4.26Å |
| 338 | Q | 88.6 | Confident | 80.6 | Confident | 78 Ų | 78 | 46.6 Ų | 46.6 | 36% | 0.364 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.8 | -43.4 | 173.5 | -177.4 | -177 | -0.7 | 0 | 0 | 112.7 | K334 I336 T342 Y387 | K334-Q338 WeakPolarHBondContact O-CB 2.97Å; K334-Q338 PolarHBondContact O-N 2.91Å; I336-Q338 VanDerWaalsContact C-N 3.29Å; I336-Q338 PolarHBondContact O-N 3.32Å; Q338-T342 PolarHBondContact O-N 3.21Å; Q338-T342 PolarHBondContact O-OG1 3.48Å; Q338-Y387 VanDerWaalsContact CA-OH 3.23Å; Q338-Y387 WeakPolarHBondContact CA-OH 3.12Å; Q338-Y387 PolarHBondContact N-OH 3.45Å |
| 339 | V | 87.6 | Confident | 79.6 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -72.7 | -40.1 | 176.4 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | I291 K335 I336 L337 G341 T342 P350 L352 T356 | I291-V339 HydrophobicContact CG2-CB 4.13Å; I291-V339 HydrophobicContact CG2-CG2 3.45Å; I291-V339 VanDerWaalsContact CG2-CG2 3.45Å; K335-V339 PolarHBondContact O-N 3.49Å; I336-V339 PolarHBondContact O-N 2.95Å; L337-V339 VanDerWaalsContact C-N 3.34Å; L337-V339 PolarHBondContact O-N 3.4Å; V339-G341 VanDerWaalsContact C-N 3.32Å; V339-G341 PolarHBondContact O-N 3.13Å; V339-T342 PolarHBondContact O-N 2.97Å; V339-P350 HydrophobicContact CG2-CG 4.29Å; V339-L352 HydrophobicContact CG1-CD2 3.86Å; V339-T356 HydrophobicContact CG1-CG2 3.54Å |
| 340 | A | 86.1 | Confident | 79 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59 | -40.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | I336 L337 H357 C360 V409 | I336-A340 PolarHBondContact O-N 3.46Å; L337-A340 PolarHBondContact O-N 3.33Å; A340-H357 PolarHBondContact O-CD2 3.28Å; A340-C360 HydrophobicContact CB-CB 4.2Å; A340-V409 HydrophobicContact CB-CB 4.21Å; A340-V409 HydrophobicContact CB-CG1 3.93Å; A340-V409 HydrophobicContact CB-CG2 4.27Å |
| 341 | G | 83.1 | Confident | 78.6 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L337 V339 R402 T406 | L337-G341 PolarHBondContact O-N 3.34Å; V339-G341 VanDerWaalsContact C-N 3.32Å; V339-G341 PolarHBondContact O-N 3.13Å; G341-R402 WeakPolarHBondContact O-CA 3.47Å; G341-R402 WeakPolarHBondContact O-CB 3.47Å; G341-R402 WeakPolarHBondContact O-CG 3.22Å; G341-T406 WeakPolarHBondContact CA-OG1 3.5Å |
| 342 | T | 84.6 | Confident | 78.4 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | trans | -76.8 | 128.2 | -178.1 | -66 | 0 | 0 | 0 | 0 | 110.6 | Q338 V339 L352 H357 | Q338-T342 PolarHBondContact O-N 3.21Å; Q338-T342 PolarHBondContact O-OG1 3.48Å; V339-T342 PolarHBondContact O-N 2.97Å; T342-L352 HydrophobicContact CG2-CD1 3.77Å; T342-L352 HydrophobicContact CG2-CG 4.3Å; T342-H357 PolarHBondContact O-NE2 3.47Å | ||
| 343 | V | 77.8 | Confident | 78.1 | Confident | 14 Ų | 14 | 43.6 Ų | 43.6 | 9% | 0.085 | 24% | 0.237 | C | C | . | . | trans | -103 | 117.4 | 176.7 | -178.1 | 0 | 0 | 0 | 0 | 108.3 | E345 L346 S347 Q405 V445 | V343-E345 PolarHBondContact O-N 3.39Å; V343-E345 VanDerWaalsContact O-N 3.17Å; V343-L346 HydrophobicContact CG1-CB 4.44Å; V343-L346 HydrophobicContact CG1-CD1 4.21Å; V343-L346 HydrophobicContact CG1-CG 4.49Å; V343-L346 PolarHBondContact O-N 2.66Å; V343-S347 PolarHBondContact O-N 3.29Å; V343-S347 PolarHBondContact O-OG 3.15Å; V343-Q405 HydrophobicContact CG2-CB 4.09Å; V343-Q405 HydrophobicContact CG2-CG 4.22Å; V343-V445 HydrophobicContact CG1-CG2 4.48Å; V343-V445 HydrophobicContact CG2-CG2 4.41Å | ||
| 344 | A | 66.3 | Low | 77.4 | Confident | 81 Ų | 81 | 48.2 Ų | 48.2 | 67% | 0.669 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -27.2 | -169 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 345 | E | 63.9 | Low | 76.9 | Confident | 119 Ų | 119 | 43.9 Ų | 43.9 | 56% | 0.556 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -16.2 | -172.1 | -64.6 | 175.3 | 161.2 | 0 | 0 | 114 | V343 T441 | V343-E345 PolarHBondContact O-N 3.39Å; V343-E345 VanDerWaalsContact O-N 3.17Å; E345-T441 HydrophobicContact CB-CG2 4.43Å; E345-T441 WeakPolarHBondContact OE2-CG2 3.35Å |
| 346 | L | 61.7 | Low | 76.6 | Confident | 63 Ų | 63 | 41.1 Ų | 41.1 | 33% | 0.33 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.8 | -11.1 | -168.3 | -69.1 | 170 | 0 | 0 | 0 | 114.5 | V343 L401 | V343-L346 HydrophobicContact CG1-CB 4.44Å; V343-L346 HydrophobicContact CG1-CD1 4.21Å; V343-L346 HydrophobicContact CG1-CG 4.49Å; V343-L346 PolarHBondContact O-N 2.66Å; L346-L401 HydrophobicContact CD1-CD1 3.55Å |
| 347 | S | 58.5 | Low | 76.4 | Confident | 29 Ų | 29 | 43 Ų | 43 | 20% | 0.203 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -126.6 | 143.5 | -170.1 | 58.5 | 0 | 0 | 0 | 0 | 114.4 | V343 G349 | V343-S347 PolarHBondContact O-N 3.29Å; V343-S347 PolarHBondContact O-OG 3.15Å; S347-G349 PolarHBondContact O-N 3.14Å |
| 348 | E | 61.4 | Low | 76.2 | Confident | 185 Ų | 185 | 44.1 Ų | 44.1 | 86% | 0.864 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -65.5 | 57.1 | 160 | -64.3 | -175.8 | 168.7 | 0 | 0 | 110.5 | ||
| 349 | G | 62 | Low | 76 | Confident | 23 Ų | 23 | 40.4 Ų | 40.4 | 24% | 0.237 | 23% | 0.226 | C | C | . | . | trans | -95.8 | 167.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S347 | S347-G349 PolarHBondContact O-N 3.14Š| ||
| 350 | P | 74.3 | Confident | 76 | Confident | 9 Ų | 9 | 40.4 Ų | 40.4 | 6% | 0.058 | 23% | 0.226 | C | C | . | . | trans | -59.6 | 149.5 | 172.4 | 24.8 | -32.6 | 0 | 0 | 0 | 111.4 | V339 L352 | V339-P350 HydrophobicContact CG2-CG 4.29Å; P350-L352 HydrophobicContact CG-CD2 4.3Å; P350-L352 WeakPolarHBondContact O-CG 3.31Å; P350-L352 PolarHBondContact O-N 3.43Å; P350-L352 VanDerWaalsContact O-N 3.09Å | ||
| 351 | P | 77.3 | Confident | 76.1 | Confident | 62 Ų | 62 | 40.5 Ų | 40.5 | 40% | 0.403 | 23% | 0.227 | S | C | . | . | trans | -69.8 | 105 | -174.1 | 27.9 | -36.9 | 0 | 0 | 0 | 112 | V296 G298 R301 | V296-P351 WeakPolarHBondContact O-CG 3.45Å; G298-P351 WeakPolarHBondContact CA-O 3.13Å; G298-P351 PolarHBondContact N-O 3.46Å; R301-P351 PolarHBondContact NH1-O 3.34Å | ||
| 352 | L | 80.7 | Confident | 76.3 | Confident | 39 Ų | 39 | 41.2 Ų | 41.2 | 20% | 0.204 | 23% | 0.231 | C | C | . | . | trans | -90.3 | 158.1 | -174.3 | -53.8 | -177 | 0 | 0 | 0 | 113.2 | V339 T342 P350 T356 | V339-L352 HydrophobicContact CG1-CD2 3.86Å; T342-L352 HydrophobicContact CG2-CD1 3.77Å; T342-L352 HydrophobicContact CG2-CG 4.3Å; P350-L352 HydrophobicContact CG-CD2 4.3Å; P350-L352 WeakPolarHBondContact O-CG 3.31Å; P350-L352 PolarHBondContact O-N 3.43Å; P350-L352 VanDerWaalsContact O-N 3.09Å; L352-T356 HydrophobicContact CD2-CG2 4.04Å | ||
| 353 | T | 79.2 | Confident | 76.5 | Confident | 35 Ų | 35 | 41.1 Ų | 41.1 | 22% | 0.215 | 23% | 0.23 | C | C | . | . | trans | -102.5 | 169.1 | 159.9 | 81 | 0 | 0 | 0 | 0 | 109.7 | P299 D302 N355 T356 | P299-T353 HydrophobicContact CG-CG2 4.46Å; D302-T353 WeakPolarHBondContact OD2-CB 3.33Å; D302-T353 VanDerWaalsContact OD2-CG2 3.23Å; D302-T353 WeakPolarHBondContact OD2-CG2 3.35Å; D302-T353 PolarHBondContact OD2-OG1 3.2Å; T353-N355 PolarHBondContact O-N 3.35Å; T353-N355 PolarHBondContact OG1-N 2.93Å; T353-N355 VanDerWaalsContact OG1-N 3.08Å; T353-T356 PolarHBondContact N-OG1 3.46Å; T353-T356 VanDerWaalsContact N-OG1 3.07Å; T353-T356 PolarHBondContact O-N 3.03Å; T353-T356 PolarHBondContact O-OG1 2.9Å; T353-T356 PolarHBondContact OG1-N 3.45Å; T353-T356 PolarHBondContact OG1-OG1 3.41Å | ||
| 354 | E | 74.1 | Confident | 77.1 | Confident | 99 Ų | 99 | 40.5 Ų | 40.5 | 46% | 0.463 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -24.5 | 173.4 | -59.7 | 175.3 | 174.2 | 0 | 0 | 112.3 | T531 | E354-T531 HydrophobicContact CG-CG2 3.91Å; E354-T531 WeakPolarHBondContact OE1-CG2 3.3Å; E354-T531 WeakPolarHBondContact OE2-CG2 3.43Å |
| 355 | N | 77.9 | Confident | 78.2 | Confident | 22 Ų | 22 | 38 Ų | 38 | 12% | 0.118 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -15.9 | 179.9 | -66.6 | -46.1 | 0 | 0 | 0 | 113.2 | T353 H357 M358 S359 E570 D571 K572 | T353-N355 PolarHBondContact O-N 3.35Å; T353-N355 PolarHBondContact OG1-N 2.93Å; T353-N355 VanDerWaalsContact OG1-N 3.08Å; N355-H357 PolarHBondContact O-N 2.91Å; N355-M358 PolarHBondContact O-N 3.43Å; N355-S359 WeakPolarHBondContact O-CB 3.49Å; N355-S359 PolarHBondContact O-N 3.47Å; N355-S359 PolarHBondContact O-OG 3.41Å; N355-E570 PolarHBondContact ND2-O 3.29Å; N355-E570 VanDerWaalsContact ND2-O 3.09Å; N355-D571 PolarHBondContact OD1-OD1 3.46Å; N355-K572 PolarHBondContact OD1-N 3.48Å |
| 356 | T | 84.1 | Confident | 79.3 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.8 | -43.5 | -170.3 | -52.8 | 0 | 0 | 0 | 0 | 112.1 | D302 I305 V339 L352 T353 M358 S359 C360 | D302-T356 VanDerWaalsContact OD1-CA 3.24Å; D302-T356 WeakPolarHBondContact OD1-CA 3.45Å; D302-T356 VanDerWaalsContact OD1-CB 3.3Å; D302-T356 WeakPolarHBondContact OD1-CB 3.44Å; D302-T356 PolarHBondContact OD1-OG1 3.01Å; I305-T356 HydrophobicContact CD1-CG2 3.96Å; V339-T356 HydrophobicContact CG1-CG2 3.54Å; L352-T356 HydrophobicContact CD2-CG2 4.04Å; T353-T356 PolarHBondContact N-OG1 3.46Å; T353-T356 VanDerWaalsContact N-OG1 3.07Å; T353-T356 PolarHBondContact O-N 3.03Å; T353-T356 PolarHBondContact O-OG1 2.9Å; T353-T356 PolarHBondContact OG1-N 3.45Å; T353-T356 PolarHBondContact OG1-OG1 3.41Å; T356-M358 PolarHBondContact O-N 3.17Å; T356-S359 PolarHBondContact O-N 2.89Å; T356-C360 PolarHBondContact O-N 2.92Å; T356-C360 PolarHBondContact O-SG 3.42Å; T356-C360 VanDerWaalsContact O-SG 3.4Å |
| 357 | H | 86.2 | Confident | 80.6 | Confident | 41 Ų | 41 | 32.6 Ų | 32.6 | 19% | 0.19 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.4 | -44.1 | 178.9 | -66.2 | 148.7 | 0 | 0 | 0 | 112.2 | A340 T342 N355 C360 S361 Q405 V409 | A340-H357 PolarHBondContact O-CD2 3.28Å; T342-H357 PolarHBondContact O-NE2 3.47Å; N355-H357 PolarHBondContact O-N 2.91Å; H357-C360 PolarHBondContact O-N 3.22Å; H357-S361 WeakPolarHBondContact O-CB 3.37Å; H357-S361 PolarHBondContact O-N 3.43Å; H357-Q405 PolarHBondContact CE1-NE2 3.42Å; H357-Q405 VanDerWaalsContact CE1-NE2 3.31Å; H357-Q405 PolarHBondContact ND1-NE2 2.88Å; H357-V409 HydrophobicContact CB-CG2 4.05Å |
| 358 | M | 84.1 | Confident | 82 | Confident | 24 Ų | 24 | 32.6 Ų | 32.6 | 12% | 0.118 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.8 | -42.2 | 175.2 | -179.5 | 61.9 | 172.1 | 0 | 0 | 111.5 | N355 T356 C360 S361 V362 Q412 T573 A647 T649 | N355-M358 PolarHBondContact O-N 3.43Å; T356-M358 PolarHBondContact O-N 3.17Å; M358-C360 PolarHBondContact O-N 3.17Å; M358-S361 WeakPolarHBondContact O-CB 3.32Å; M358-S361 PolarHBondContact O-N 3.09Å; M358-V362 HydrophobicContact CE-CG2 4.14Å; M358-V362 WeakPolarHBondContact O-CG2 3.4Å; M358-V362 PolarHBondContact O-N 3Å; M358-V362 HydrophobicContact SD-CG2 4.37Å; M358-Q412 HydrophobicContact SD-CG 4.44Å; M358-Q412 PolarHBondContact SD-NE2 3.39Å; M358-T573 HydrophobicContact CB-CG2 3.82Å; M358-T573 HydrophobicContact CG-CG2 4.34Å; M358-A647 HydrophobicContact CG-CB 4.09Å; M358-T649 HydrophobicContact CE-CG2 4.23Å |
| 359 | S | 84.5 | Confident | 83.2 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.7 | -42.4 | 178.2 | -55.5 | 0 | 0 | 0 | 0 | 111.6 | I305 N355 T356 L363 P646 | I305-S359 WeakPolarHBondContact CG2-O 3.3Å; N355-S359 WeakPolarHBondContact O-CB 3.49Å; N355-S359 PolarHBondContact O-N 3.47Å; N355-S359 PolarHBondContact O-OG 3.41Å; T356-S359 PolarHBondContact O-N 2.89Å; S359-L363 WeakPolarHBondContact O-CB 3.27Å; S359-L363 PolarHBondContact O-N 3.41Å; S359-P646 VanDerWaalsContact OG-CG 3.25Å; S359-P646 WeakPolarHBondContact OG-CG 3.21Å |
| 360 | C | 88.7 | Confident | 84.3 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.1 | -43.5 | 172.3 | -72.4 | 0 | 0 | 0 | 0 | 111.6 | A340 T356 H357 M358 V362 L363 L364 V409 | A340-C360 HydrophobicContact CB-CB 4.2Å; T356-C360 PolarHBondContact O-N 2.92Å; T356-C360 PolarHBondContact O-SG 3.42Å; T356-C360 VanDerWaalsContact O-SG 3.4Å; H357-C360 PolarHBondContact O-N 3.22Å; M358-C360 PolarHBondContact O-N 3.17Å; C360-V362 PolarHBondContact O-N 3.41Å; C360-L363 PolarHBondContact O-N 3.18Å; C360-L364 WeakPolarHBondContact O-CB 3.41Å; C360-L364 VanDerWaalsContact O-CG 3.25Å; C360-L364 WeakPolarHBondContact O-CG 3.39Å; C360-L364 PolarHBondContact O-N 3.49Å; C360-V409 HydrophobicContact CB-CG1 4.29Å |
| 361 | S | 88.4 | Confident | 84.9 | Confident | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.014 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.6 | -48.3 | 178.3 | -166 | 0 | 0 | 0 | 0 | 111.9 | H357 M358 L363 L364 S365 V409 Q412 G413 | H357-S361 WeakPolarHBondContact O-CB 3.37Å; H357-S361 PolarHBondContact O-N 3.43Å; M358-S361 WeakPolarHBondContact O-CB 3.32Å; M358-S361 PolarHBondContact O-N 3.09Å; S361-L363 PolarHBondContact O-N 3.39Å; S361-L364 PolarHBondContact O-N 3.18Å; S361-S365 PolarHBondContact O-N 3.1Å; S361-V409 PolarHBondContact OG-O 3.36Å; S361-Q412 WeakPolarHBondContact OG-CB 3.45Å; S361-G413 WeakPolarHBondContact OG-CA 3.41Å; S361-G413 PolarHBondContact OG-N 2.86Å |
| 362 | V | 87 | Confident | 85.2 | Confident | 17 Ų | 17 | 28.9 Ų | 28.9 | 10% | 0.103 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.9 | -42 | 176.9 | 174 | 0 | 0 | 0 | 0 | 111.3 | V309 M358 C360 S365 K366 T649 | V309-V362 HydrophobicContact CG1-CG1 3.94Å; V309-V362 HydrophobicContact CG2-CG1 4.41Å; M358-V362 HydrophobicContact CE-CG2 4.14Å; M358-V362 WeakPolarHBondContact O-CG2 3.4Å; M358-V362 PolarHBondContact O-N 3Å; M358-V362 HydrophobicContact SD-CG2 4.37Å; C360-V362 PolarHBondContact O-N 3.41Å; V362-S365 PolarHBondContact O-N 3.25Å; V362-K366 WeakPolarHBondContact O-CG 3.36Å; V362-K366 PolarHBondContact O-N 3.09Å; V362-T649 HydrophobicContact CG2-CG2 4.16Å |
| 363 | L | 88.5 | Confident | 85.3 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.6 | -48 | 175.7 | 179.3 | 57.8 | 0 | 0 | 0 | 111.7 | I305 L308 V309 I336 S359 C360 S361 S365 K366 L367 | I305-L363 HydrophobicContact CG2-CB 4.17Å; I305-L363 HydrophobicContact CG2-CD2 4.07Å; L308-L363 HydrophobicContact CB-CD1 3.92Å; L308-L363 HydrophobicContact CB-CD2 4.14Å; L308-L363 HydrophobicContact CD1-CD2 4.15Å; V309-L363 HydrophobicContact CG2-CB 3.61Å; V309-L363 HydrophobicContact CG2-CD1 3.9Å; V309-L363 HydrophobicContact CG2-CG 4.3Å; I336-L363 HydrophobicContact CD1-CD2 3.7Å; I336-L363 HydrophobicContact CD1-CG 4.43Å; I336-L363 HydrophobicContact CG1-CD2 4.18Å; I336-L363 HydrophobicContact CG2-CD2 4.35Å; S359-L363 WeakPolarHBondContact O-CB 3.27Å; S359-L363 PolarHBondContact O-N 3.41Å; C360-L363 PolarHBondContact O-N 3.18Å; S361-L363 PolarHBondContact O-N 3.39Å; L363-S365 VanDerWaalsContact C-N 3.33Å; L363-S365 PolarHBondContact O-N 3.23Å; L363-K366 PolarHBondContact O-N 3.05Å; L363-L367 HydrophobicContact CD1-CD1 4.02Å; L363-L367 HydrophobicContact CD1-CG 4.04Å; L363-L367 HydrophobicContact CG-CD1 4Å; L363-L367 HydrophobicContact CG-CG 4.44Å; L363-L367 WeakPolarHBondContact O-CB 3.35Å; L363-L367 VanDerWaalsContact O-CG 3.28Å; L363-L367 WeakPolarHBondContact O-CG 3.44Å; L363-L367 PolarHBondContact O-N 3.2Å |
| 364 | L | 90.7 | Very high | 85.7 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.5 | -40.9 | 179.3 | -68.8 | 168.7 | 0 | 0 | 0 | 111.5 | L333 I336 L337 C360 S361 Y368 F380 V409 L410 P414 | L333-L364 HydrophobicContact CD1-CD2 3.45Å; L333-L364 VanDerWaalsContact CD1-CD2 3.45Å; I336-L364 HydrophobicContact CG2-CD2 4Å; I336-L364 HydrophobicContact CG2-CG 4.16Å; L337-L364 HydrophobicContact CD2-CD1 4.06Å; L337-L364 HydrophobicContact CD2-CD2 4.42Å; C360-L364 WeakPolarHBondContact O-CB 3.41Å; C360-L364 VanDerWaalsContact O-CG 3.25Å; C360-L364 WeakPolarHBondContact O-CG 3.39Å; C360-L364 PolarHBondContact O-N 3.49Å; S361-L364 PolarHBondContact O-N 3.18Å; L364-Y368 WeakPolarHBondContact O-CB 3.43Å; L364-Y368 PolarHBondContact O-N 3Å; L364-F380 HydrophobicContact CD2-CZ 4.11Å; L364-V409 HydrophobicContact CD1-CG1 4.31Å; L364-L410 HydrophobicContact CD1-CD2 4.03Å; L364-P414 HydrophobicContact CB-CG 4.12Å |
| 365 | S | 89.3 | Confident | 86.3 | Confident | 30 Ų | 30 | 36 Ų | 36 | 21% | 0.21 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.4 | -51.1 | 174.7 | -166.8 | 0 | 0 | 0 | 0 | 111.2 | S361 V362 L363 L367 Y368 D369 | S361-S365 PolarHBondContact O-N 3.1Å; V362-S365 PolarHBondContact O-N 3.25Å; L363-S365 VanDerWaalsContact C-N 3.33Å; L363-S365 PolarHBondContact O-N 3.23Å; S365-L367 VanDerWaalsContact C-N 3.32Å; S365-L367 PolarHBondContact O-N 2.98Å; S365-Y368 WeakPolarHBondContact O-CB 3.34Å; S365-Y368 PolarHBondContact O-N 3.37Å; S365-Y368 VanDerWaalsContact O-N 3.11Å; S365-D369 WeakPolarHBondContact O-CB 3.2Å; S365-D369 PolarHBondContact O-N 2.79Å; S365-D369 PolarHBondContact OG-OD2 2.87Å |
| 366 | K | 86.7 | Confident | 86.8 | Confident | 66 Ų | 66 | 37.2 Ų | 37.2 | 29% | 0.287 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -63.6 | -36.5 | -178.9 | -70.1 | -150 | -177.8 | -160.1 | 0 | 113.1 | V309 P313 V362 L363 Y368 D370 E650 | V309-K366 HydrophobicContact CG1-CD 3.88Å; P313-K366 HydrophobicContact CB-CB 4.24Å; P313-K366 HydrophobicContact CG-CB 3.65Å; P313-K366 HydrophobicContact CG-CD 4.12Å; V362-K366 WeakPolarHBondContact O-CG 3.36Å; V362-K366 PolarHBondContact O-N 3.09Å; L363-K366 PolarHBondContact O-N 3.05Å; K366-Y368 VanDerWaalsContact C-N 3.35Å; K366-D370 WeakPolarHBondContact O-CB 3.33Å; K366-D370 PolarHBondContact O-N 2.72Å; K366-D370 VanDerWaalsContact O-N 3.16Å; K366-E650 IonicContact NZ-OE1 3.06Å |
| 367 | L | 88.4 | Confident | 87 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.5 | -40.5 | 174.6 | -72.1 | 174.6 | 0 | 0 | 0 | 111.3 | V312 V328 I329 I336 L363 S365 L371 | V312-L367 HydrophobicContact CG1-CD2 3.77Å; V328-L367 HydrophobicContact CG1-CD1 4.17Å; V328-L367 HydrophobicContact CG1-CD2 4.34Å; I329-L367 HydrophobicContact CD1-CB 4.44Å; I329-L367 HydrophobicContact CG1-CB 4.47Å; I329-L367 HydrophobicContact CG1-CD1 4.49Å; I336-L367 HydrophobicContact CD1-CD1 4.31Å; L363-L367 HydrophobicContact CD1-CD1 4.02Å; L363-L367 HydrophobicContact CD1-CG 4.04Å; L363-L367 HydrophobicContact CG-CD1 4Å; L363-L367 HydrophobicContact CG-CG 4.44Å; L363-L367 WeakPolarHBondContact O-CB 3.35Å; L363-L367 VanDerWaalsContact O-CG 3.28Å; L363-L367 WeakPolarHBondContact O-CG 3.44Å; L363-L367 PolarHBondContact O-N 3.2Å; S365-L367 VanDerWaalsContact C-N 3.32Å; S365-L367 PolarHBondContact O-N 2.98Å; L367-L371 WeakPolarHBondContact O-CG 3.24Å |
| 368 | Y | 88.6 | Confident | 87.1 | Confident | 30 Ų | 30 | 45.7 Ų | 45.7 | 12% | 0.118 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.8 | -45 | 178 | -171.7 | -96.3 | 0 | 0 | 0 | 112.5 | L364 S365 K366 D370 L371 R377 F380 P414 V417 | L364-Y368 WeakPolarHBondContact O-CB 3.43Å; L364-Y368 PolarHBondContact O-N 3Å; S365-Y368 WeakPolarHBondContact O-CB 3.34Å; S365-Y368 PolarHBondContact O-N 3.37Å; S365-Y368 VanDerWaalsContact O-N 3.11Å; K366-Y368 VanDerWaalsContact C-N 3.35Å; Y368-D370 PolarHBondContact O-N 2.71Å; Y368-L371 HydrophobicContact CD2-CD1 4.27Å; Y368-L371 WeakPolarHBondContact O-CB 3.41Å; Y368-L371 WeakPolarHBondContact O-CG 3.35Å; Y368-L371 PolarHBondContact O-N 2.97Å; Y368-L371 VanDerWaalsContact O-N 3.13Å; Y368-R377 HydrophobicContact CE2-CB 4.29Å; Y368-R377 HydrophobicContact CE2-CG 4.28Å; Y368-F380 AromaticContact CD2-CD1 3.59Å; Y368-F380 HydrophobicContact CD2-CD1 3.59Å; Y368-F380 AromaticContact CD2-CE1 3.84Å; Y368-F380 HydrophobicContact CD2-CE1 3.84Å; Y368-F380 HydrophobicContact CD2-CG 4.11Å; Y368-F380 HydrophobicContact CE2-CD1 4.07Å; Y368-P414 HydrophobicContact CD1-CB 4.27Å; Y368-P414 HydrophobicContact CD2-CB 4.35Å; Y368-P414 HydrophobicContact CG-CB 3.95Å; Y368-V417 HydrophobicContact CD2-CG2 4.09Å; Y368-V417 HydrophobicContact CE2-CG2 3.69Å |
| 369 | D | 86.1 | Confident | 87.4 | Confident | 100 Ų | 100 | 47.9 Ų | 47.9 | 54% | 0.535 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.5 | -25.9 | 178.8 | -65.3 | -31.3 | 0 | 0 | 0 | 112.1 | S365 L371 | S365-D369 WeakPolarHBondContact O-CB 3.2Å; S365-D369 PolarHBondContact O-N 2.79Å; S365-D369 PolarHBondContact OG-OD2 2.87Å; D369-L371 VanDerWaalsContact C-N 3.31Å |
| 370 | D | 85.1 | Confident | 87.7 | Confident | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -11.8 | 176.4 | -162.6 | 57.5 | 0 | 0 | 0 | 113.8 | R314 S325 K366 Y368 | R314-D370 WeakPolarHBondContact CB-OD1 3.41Å; R314-D370 WeakPolarHBondContact CG-OD1 3.45Å; R314-D370 IonicContact CZ-OD1 3.86Å; R314-D370 VanDerWaalsContact CZ-OD1 3.28Å; R314-D370 PolarHBondContact N-OD1 3.11Å; R314-D370 IonicContact NE-OD1 3.98Å; R314-D370 PolarHBondContact NE-OD1 3.05Å; R314-D370 IonicContact NE-OD2 2.71Å; R314-D370 PolarHBondContact NE-OD2 3.12Å; R314-D370 PolarHBondContact NH2-O 3.19Å; R314-D370 IonicContact NH2-OD1 3.69Å; R314-D370 PolarHBondContact NH2-OD1 3.08Å; R314-D370 VanDerWaalsContact NH2-OD1 3.16Å; S325-D370 VanDerWaalsContact CB-OD2 3.24Å; S325-D370 WeakPolarHBondContact CB-OD2 3.33Å; S325-D370 PolarHBondContact OG-OD2 2.89Å; K366-D370 WeakPolarHBondContact O-CB 3.33Å; K366-D370 PolarHBondContact O-N 2.72Å; K366-D370 VanDerWaalsContact O-N 3.16Å; Y368-D370 PolarHBondContact O-N 2.71Å |
| 371 | L | 86.7 | Confident | 87.8 | Confident | 5 Ų | 5 | 49.3 Ų | 49.3 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | trans | -72.8 | 136.4 | 178.1 | -60.1 | -179.8 | 0 | 0 | 0 | 111.8 | L326 I329 L367 Y368 D369 E376 R377 F380 | L326-L371 HydrophobicContact CD2-CD2 4.01Å; I329-L371 HydrophobicContact CD1-CD1 4.45Å; I329-L371 HydrophobicContact CD1-CD2 3.59Å; I329-L371 HydrophobicContact CD1-CG 4.36Å; L367-L371 WeakPolarHBondContact O-CG 3.24Å; Y368-L371 HydrophobicContact CD2-CD1 4.27Å; Y368-L371 WeakPolarHBondContact O-CB 3.41Å; Y368-L371 WeakPolarHBondContact O-CG 3.35Å; Y368-L371 PolarHBondContact O-N 2.97Å; Y368-L371 VanDerWaalsContact O-N 3.13Å; D369-L371 VanDerWaalsContact C-N 3.31Å; L371-E376 HydrophobicContact CB-CB 4.22Å; L371-E376 HydrophobicContact CD1-CB 4.42Å; L371-E376 HydrophobicContact CD2-CB 4.05Å; L371-E376 HydrophobicContact CG-CB 4.45Å; L371-R377 HydrophobicContact CB-CG 3.86Å; L371-R377 HydrophobicContact CD1-CG 4Å; L371-R377 PolarHBondContact O-NH2 3.28Å; L371-F380 HydrophobicContact CD1-CB 3.85Å; L371-F380 HydrophobicContact CD1-CD2 4.41Å; L371-F380 HydrophobicContact CD1-CG 4.26Å | ||
| 372 | K | 83.4 | Confident | 87.9 | Confident | 91 Ų | 91 | 55 Ų | 55 | 40% | 0.396 | 27% | 0.265 | S | S | . | . | trans | -100.2 | -41 | -172.1 | -66.8 | -178.3 | 177.2 | -169.4 | 0 | 113.8 | P320 E376 | P320-K372 PolarHBondContact O-NZ 3.38Å; K372-E376 PolarHBondContact N-OE2 3.07Å | ||
| 373 | S | 84.2 | Confident | 88.1 | Confident | 44 Ų | 44 | 55.7 Ų | 55.7 | 31% | 0.308 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -103.6 | 148.1 | -173.4 | 67.8 | 0 | 0 | 0 | 0 | 111.2 | K375 E376 R377 | S373-K375 PolarHBondContact O-N 2.62Å; S373-E376 PolarHBondContact N-OE2 2.75Å; S373-E376 WeakPolarHBondContact O-CB 3.42Å; S373-E376 PolarHBondContact O-N 3.31Å; S373-E376 VanDerWaalsContact O-N 3.09Å; S373-E376 WeakPolarHBondContact OG-CG 3.48Å; S373-E376 PolarHBondContact OG-N 3.39Å; S373-E376 PolarHBondContact OG-OE1 2.58Å; S373-R377 PolarHBondContact O-N 3.26Å; S373-R377 VanDerWaalsContact O-N 3.14Å |
| 374 | D | 87.2 | Confident | 88.1 | Confident | 113 Ų | 113 | 55.7 Ų | 55.7 | 60% | 0.604 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -59.8 | -34 | 174.8 | -64 | -36.8 | 0 | 0 | 0 | 111 | E376 R377 E378 | D374-E376 PolarHBondContact O-N 3.23Å; D374-R377 PolarHBondContact O-N 3.21Å; D374-E378 WeakPolarHBondContact O-CB 3.49Å; D374-E378 WeakPolarHBondContact O-CG 3.46Å; D374-E378 PolarHBondContact O-N 3.06Å |
| 375 | K | 87 | Confident | 88.1 | Confident | 167 Ų | 167 | 59.2 Ų | 59.2 | 73% | 0.726 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -62.1 | -39.5 | 174.5 | -171.3 | 177.9 | -179.4 | -179.1 | 0 | 113.1 | S373 N379 | S373-K375 PolarHBondContact O-N 2.62Å; K375-N379 PolarHBondContact O-N 3.14Å |
| 376 | E | 87.2 | Confident | 88.1 | Confident | 46 Ų | 46 | 61.7 Ų | 61.7 | 22% | 0.215 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 174.2 | -75.2 | 155.8 | -139.3 | 0 | 0 | 111.1 | N322 L326 L371 K372 S373 D374 N379 F380 | N322-E376 PolarHBondContact ND2-OE2 2.72Å; L326-E376 HydrophobicContact CD2-CG 3.86Å; L371-E376 HydrophobicContact CB-CB 4.22Å; L371-E376 HydrophobicContact CD1-CB 4.42Å; L371-E376 HydrophobicContact CD2-CB 4.05Å; L371-E376 HydrophobicContact CG-CB 4.45Å; K372-E376 PolarHBondContact N-OE2 3.07Å; S373-E376 PolarHBondContact N-OE2 2.75Å; S373-E376 WeakPolarHBondContact O-CB 3.42Å; S373-E376 PolarHBondContact O-N 3.31Å; S373-E376 VanDerWaalsContact O-N 3.09Å; S373-E376 WeakPolarHBondContact OG-CG 3.48Å; S373-E376 PolarHBondContact OG-N 3.39Å; S373-E376 PolarHBondContact OG-OE1 2.58Å; D374-E376 PolarHBondContact O-N 3.23Å; E376-N379 PolarHBondContact O-N 3.12Å; E376-F380 PolarHBondContact O-N 2.98Å |
| 377 | R | 89.3 | Confident | 88.3 | Confident | 89 Ų | 89 | 59.6 Ų | 59.6 | 34% | 0.336 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65 | -41.4 | 177.6 | -68 | 178.1 | 179 | 167.2 | -2 | 111.8 | Y368 L371 S373 D374 N379 F380 N381 | Y368-R377 HydrophobicContact CE2-CB 4.29Å; Y368-R377 HydrophobicContact CE2-CG 4.28Å; L371-R377 HydrophobicContact CB-CG 3.86Å; L371-R377 HydrophobicContact CD1-CG 4Å; L371-R377 PolarHBondContact O-NH2 3.28Å; S373-R377 PolarHBondContact O-N 3.26Å; S373-R377 VanDerWaalsContact O-N 3.14Å; D374-R377 PolarHBondContact O-N 3.21Å; R377-N379 VanDerWaalsContact C-N 3.35Å; R377-N379 PolarHBondContact O-N 3.21Å; R377-F380 PolarHBondContact O-N 2.69Å; R377-N381 WeakPolarHBondContact O-CB 3.33Å; R377-N381 PolarHBondContact O-N 3.42Å; R377-N381 PolarHBondContact O-ND2 2.88Å; R377-N381 PolarHBondContact O-OD1 3.47Å; R377-N381 VanDerWaalsContact O-OD1 3.1Å |
| 378 | E | 88.8 | Confident | 88.3 | Confident | 130 Ų | 130 | 59.6 Ų | 59.6 | 61% | 0.607 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -60.3 | -43.2 | 173.7 | -77.3 | 175.4 | -175.7 | 0 | 0 | 111.9 | D374 N381 K382 | D374-E378 WeakPolarHBondContact O-CB 3.49Å; D374-E378 WeakPolarHBondContact O-CG 3.46Å; D374-E378 PolarHBondContact O-N 3.06Å; E378-N381 PolarHBondContact O-N 3.04Å; E378-K382 WeakPolarHBondContact O-CB 3.43Å; E378-K382 PolarHBondContact O-N 2.87Å |
| 379 | N | 89.9 | Confident | 88.3 | Confident | 70 Ų | 70 | 60.9 Ų | 60.9 | 37% | 0.374 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 175.7 | -173.8 | 49.7 | 0 | 0 | 0 | 111.6 | K375 E376 R377 N381 K382 L383 | K375-N379 PolarHBondContact O-N 3.14Å; E376-N379 PolarHBondContact O-N 3.12Å; R377-N379 VanDerWaalsContact C-N 3.35Å; R377-N379 PolarHBondContact O-N 3.21Å; N379-N381 PolarHBondContact O-N 3.28Å; N379-K382 PolarHBondContact O-N 3.32Å; N379-L383 WeakPolarHBondContact O-CG 3.4Å; N379-L383 PolarHBondContact O-N 3.48Å |
| 380 | F | 91.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.8 | -46.2 | 176 | -175.5 | -82.7 | 0 | 0 | 0 | 112 | I329 L333 L364 Y368 L371 E376 R377 K382 L383 C384 P414 V417 | I329-F380 HydrophobicContact CD1-CD2 4.02Å; I329-F380 HydrophobicContact CD1-CE2 4.5Å; I329-F380 HydrophobicContact CG1-CD2 4.13Å; I329-F380 HydrophobicContact CG1-CE2 4.35Å; I329-F380 HydrophobicContact CG2-CD2 4.1Å; L333-F380 HydrophobicContact CD1-CE2 3.73Å; L333-F380 HydrophobicContact CD1-CZ 4.01Å; L333-F380 HydrophobicContact CD2-CD2 3.95Å; L333-F380 HydrophobicContact CD2-CE2 3.98Å; L364-F380 HydrophobicContact CD2-CZ 4.11Å; Y368-F380 AromaticContact CD2-CD1 3.59Å; Y368-F380 HydrophobicContact CD2-CD1 3.59Å; Y368-F380 AromaticContact CD2-CE1 3.84Å; Y368-F380 HydrophobicContact CD2-CE1 3.84Å; Y368-F380 HydrophobicContact CD2-CG 4.11Å; Y368-F380 HydrophobicContact CE2-CD1 4.07Å; L371-F380 HydrophobicContact CD1-CB 3.85Å; L371-F380 HydrophobicContact CD1-CD2 4.41Å; L371-F380 HydrophobicContact CD1-CG 4.26Å; E376-F380 PolarHBondContact O-N 2.98Å; R377-F380 PolarHBondContact O-N 2.69Å; F380-K382 VanDerWaalsContact C-N 3.35Å; F380-K382 PolarHBondContact O-N 2.8Å; F380-L383 PolarHBondContact O-N 3.3Å; F380-C384 VanDerWaalsContact CE1-SG 3.58Å; F380-C384 PolarHBondContact O-N 3.37Å; F380-C384 VanDerWaalsContact O-N 3.11Å; F380-C384 PolarHBondContact O-SG 2.99Å; F380-P414 HydrophobicContact CE1-CG 4.38Å; F380-V417 HydrophobicContact CD1-CG2 4.17Å; F380-V417 HydrophobicContact CE1-CG2 4.15Å |
| 381 | N | 90.3 | Very high | 88.5 | Confident | 31 Ų | 31 | 61.3 Ų | 61.3 | 17% | 0.166 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.8 | -48.1 | 177.8 | -65.7 | -7.3 | 0 | 0 | 0 | 110.8 | R377 E378 N379 L383 C384 E385 V417 | R377-N381 WeakPolarHBondContact O-CB 3.33Å; R377-N381 PolarHBondContact O-N 3.42Å; R377-N381 PolarHBondContact O-ND2 2.88Å; R377-N381 PolarHBondContact O-OD1 3.47Å; R377-N381 VanDerWaalsContact O-OD1 3.1Å; E378-N381 PolarHBondContact O-N 3.04Å; N379-N381 PolarHBondContact O-N 3.28Å; N381-L383 PolarHBondContact O-N 3.33Å; N381-C384 PolarHBondContact O-N 3.3Å; N381-E385 WeakPolarHBondContact O-CB 3.4Å; N381-E385 PolarHBondContact O-N 2.99Å; N381-V417 WeakPolarHBondContact OD1-CG2 3.31Å |
| 382 | K | 90 | Very high | 88.4 | Confident | 121 Ų | 121 | 63 Ų | 63 | 53% | 0.526 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.5 | -43.9 | -179.7 | -173.8 | 177.7 | 177.2 | -176.9 | 0 | 112.1 | E378 N379 F380 C384 E385 E386 | E378-K382 WeakPolarHBondContact O-CB 3.43Å; E378-K382 PolarHBondContact O-N 2.87Å; N379-K382 PolarHBondContact O-N 3.32Å; F380-K382 VanDerWaalsContact C-N 3.35Å; F380-K382 PolarHBondContact O-N 2.8Å; K382-C384 VanDerWaalsContact C-N 3.33Å; K382-C384 PolarHBondContact O-N 3.22Å; K382-E385 PolarHBondContact O-N 3.32Å; K382-E386 WeakPolarHBondContact CE-OE1 3.14Å; K382-E386 HydrophobicContact CG-CG 4.41Å; K382-E386 WeakPolarHBondContact O-CB 3.34Å; K382-E386 VanDerWaalsContact O-CG 3.29Å; K382-E386 WeakPolarHBondContact O-CG 3.44Å; K382-E386 PolarHBondContact O-N 3.18Å |
| 383 | L | 90.7 | Very high | 88.5 | Confident | 32 Ų | 32 | 67.1 Ų | 67.1 | 17% | 0.168 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.7 | -39.1 | 177.4 | -72.2 | 171.4 | 0 | 0 | 0 | 112.4 | I329 L333 N379 F380 N381 Y387 | I329-L383 HydrophobicContact CG2-CD1 4.25Å; L333-L383 HydrophobicContact CD2-CB 3.74Å; L333-L383 HydrophobicContact CD2-CD1 4.05Å; N379-L383 WeakPolarHBondContact O-CG 3.4Å; N379-L383 PolarHBondContact O-N 3.48Å; F380-L383 PolarHBondContact O-N 3.3Å; N381-L383 PolarHBondContact O-N 3.33Å; L383-Y387 WeakPolarHBondContact O-CB 3.2Å; L383-Y387 PolarHBondContact O-N 3.44Å |
| 384 | C | 90.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.1 | -44.4 | 175.6 | -65.6 | 0 | 0 | 0 | 0 | 111.5 | F380 N381 K382 Y387 V388 L410 V417 | F380-C384 VanDerWaalsContact CE1-SG 3.58Å; F380-C384 PolarHBondContact O-N 3.37Å; F380-C384 VanDerWaalsContact O-N 3.11Å; F380-C384 PolarHBondContact O-SG 2.99Å; N381-C384 PolarHBondContact O-N 3.3Å; K382-C384 VanDerWaalsContact C-N 3.33Å; K382-C384 PolarHBondContact O-N 3.22Å; C384-Y387 PolarHBondContact O-N 2.94Å; C384-V388 WeakPolarHBondContact O-CG2 3.43Å; C384-V388 PolarHBondContact O-N 3Å; C384-L410 HydrophobicContact CB-CD1 4.41Å; C384-V417 HydrophobicContact CB-CG1 3.75Å |
| 385 | E | 89.6 | Confident | 87.2 | Confident | 73 Ų | 73 | 71.9 Ų | 71.9 | 34% | 0.341 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.4 | -47.1 | 177.8 | -170.9 | -173.9 | 167 | 0 | 0 | 111.6 | N381 K382 Y387 V388 Q389 M424 | N381-E385 WeakPolarHBondContact O-CB 3.4Å; N381-E385 PolarHBondContact O-N 2.99Å; K382-E385 PolarHBondContact O-N 3.32Å; E385-Y387 VanDerWaalsContact C-N 3.3Å; E385-Y387 PolarHBondContact O-N 3.46Å; E385-V388 PolarHBondContact O-N 3Å; E385-Q389 WeakPolarHBondContact O-CB 3.45Å; E385-Q389 PolarHBondContact O-N 2.75Å; E385-M424 HydrophobicContact CG-CE 4.29Å; E385-M424 HydrophobicContact CG-SD 4.07Å |
| 386 | E | 90.3 | Very high | 86.6 | Confident | 83 Ų | 83 | 66 Ų | 66 | 39% | 0.388 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.5 | -43.2 | 176.3 | -76.7 | 176.7 | -177.6 | 0 | 0 | 111.6 | K382 Q389 E390 | K382-E386 WeakPolarHBondContact CE-OE1 3.14Å; K382-E386 HydrophobicContact CG-CG 4.41Å; K382-E386 WeakPolarHBondContact O-CB 3.34Å; K382-E386 VanDerWaalsContact O-CG 3.29Å; K382-E386 WeakPolarHBondContact O-CG 3.44Å; K382-E386 PolarHBondContact O-N 3.18Å; E386-Q389 PolarHBondContact O-N 3.09Å; E386-E390 WeakPolarHBondContact O-CB 3.18Å; E386-E390 PolarHBondContact O-N 3.09Å |
| 387 | Y | 90 | Very high | 86.2 | Confident | 22 Ų | 22 | 67.6 Ų | 67.6 | 9% | 0.086 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.6 | -49.3 | 178.8 | -175.8 | -94.5 | 0 | 0 | 0 | 112.3 | L337 Q338 L383 C384 E385 Q389 E390 H391 T406 | L337-Y387 HydrophobicContact CB-CD1 3.73Å; L337-Y387 HydrophobicContact CB-CE1 3.64Å; L337-Y387 HydrophobicContact CB-CE2 4.44Å; L337-Y387 HydrophobicContact CB-CG 4.18Å; L337-Y387 HydrophobicContact CD1-CD1 3.94Å; L337-Y387 HydrophobicContact CD1-CG 3.9Å; L337-Y387 HydrophobicContact CG-CD1 4.41Å; Q338-Y387 VanDerWaalsContact CA-OH 3.23Å; Q338-Y387 WeakPolarHBondContact CA-OH 3.12Å; Q338-Y387 PolarHBondContact N-OH 3.45Å; L383-Y387 WeakPolarHBondContact O-CB 3.2Å; L383-Y387 PolarHBondContact O-N 3.44Å; C384-Y387 PolarHBondContact O-N 2.94Å; E385-Y387 VanDerWaalsContact C-N 3.3Å; E385-Y387 PolarHBondContact O-N 3.46Å; Y387-Q389 VanDerWaalsContact C-N 3.32Å; Y387-Q389 PolarHBondContact O-N 2.92Å; Y387-E390 PolarHBondContact O-N 3.34Å; Y387-H391 AromaticContact CE1-CD2 3.67Å; Y387-H391 AromaticContact CE2-CD2 3.67Å; Y387-H391 AromaticContact CE2-NE2 3.45Å; Y387-H391 WeakPolarHBondContact CE2-NE2 3.32Å; Y387-H391 AromaticContact CZ-CD2 3.41Å; Y387-H391 VanDerWaalsContact CZ-CD2 3.41Å; Y387-H391 AromaticContact CZ-NE2 3.32Å; Y387-H391 VanDerWaalsContact CZ-NE2 3.32Å; Y387-H391 PolarHBondContact O-CD2 3.38Å; Y387-H391 PolarHBondContact O-N 3.41Å; Y387-H391 PolarHBondContact OH-NE2 3.44Å; Y387-H391 VanDerWaalsContact OH-NE2 3.16Å; Y387-T406 HydrophobicContact CD1-CG2 4.3Å; Y387-T406 HydrophobicContact CE1-CG2 4.34Å |
| 388 | V | 88.6 | Confident | 85.7 | Confident | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.006 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 178 | 173.7 | 0 | 0 | 0 | 0 | 110.3 | C384 E385 H391 F392 A403 T406 V407 L410 T421 M424 M427 | C384-V388 WeakPolarHBondContact O-CG2 3.43Å; C384-V388 PolarHBondContact O-N 3Å; E385-V388 PolarHBondContact O-N 3Å; V388-H391 PolarHBondContact O-N 3.32Å; V388-F392 VanDerWaalsContact O-CB 3.23Å; V388-F392 WeakPolarHBondContact O-CB 3.45Å; V388-F392 PolarHBondContact O-N 3.13Å; V388-A403 HydrophobicContact CG1-CB 4.28Å; V388-T406 HydrophobicContact CG2-CG2 4.09Å; V388-V407 HydrophobicContact CG1-CG2 3.99Å; V388-V407 HydrophobicContact CG2-CG2 4.34Å; V388-L410 HydrophobicContact CG2-CD1 4.48Å; V388-T421 HydrophobicContact CG2-CG2 4.28Å; V388-M424 HydrophobicContact CG1-SD 4.09Å; V388-M427 HydrophobicContact CG1-SD 4.13Å |
| 389 | Q | 89.2 | Confident | 85.4 | Confident | 57 Ų | 57 | 62.1 Ų | 62.1 | 27% | 0.266 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 178.9 | -167.9 | 175.5 | 77.1 | 0 | 0 | 112.4 | E385 E386 Y387 F392 R393 M424 | E385-Q389 WeakPolarHBondContact O-CB 3.45Å; E385-Q389 PolarHBondContact O-N 2.75Å; E386-Q389 PolarHBondContact O-N 3.09Å; Y387-Q389 VanDerWaalsContact C-N 3.32Å; Y387-Q389 PolarHBondContact O-N 2.92Å; Q389-F392 PolarHBondContact O-N 3.3Å; Q389-R393 VanDerWaalsContact CD-NH1 3.32Å; Q389-R393 VanDerWaalsContact CG-CZ 3.46Å; Q389-R393 WeakPolarHBondContact O-CB 3.22Å; Q389-R393 WeakPolarHBondContact O-CG 3.31Å; Q389-R393 PolarHBondContact O-N 3.32Å; Q389-R393 VanDerWaalsContact OE1-CZ 3.31Å; Q389-M424 HydrophobicContact CB-CE 3.66Å; Q389-M424 HydrophobicContact CG-CE 4Å |
| 390 | E | 88.8 | Confident | 85.2 | Confident | 93 Ų | 93 | 62.9 Ų | 62.9 | 44% | 0.435 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.8 | -48.5 | 177.2 | -171.7 | -172.3 | 155.5 | 0 | 0 | 110.7 | E386 Y387 R394 | E386-E390 WeakPolarHBondContact O-CB 3.18Å; E386-E390 PolarHBondContact O-N 3.09Å; Y387-E390 PolarHBondContact O-N 3.34Å; E390-R394 WeakPolarHBondContact O-CG 3.48Å; E390-R394 PolarHBondContact O-N 2.83Å; E390-R394 IonicContact OE1-CZ 2.87Å; E390-R394 IonicContact OE1-NE 2.71Å; E390-R394 IonicContact OE1-NH2 2.72Å; E390-R394 PolarHBondContact OE1-NH2 3.04Å |
| 391 | H | 85 | Confident | 84.9 | Confident | 19 Ų | 19 | 63 Ų | 63 | 9% | 0.088 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -71.8 | -34 | -179.6 | -80 | -76 | 0 | 0 | 0 | 113.4 | Y387 V388 R394 G399 A403 | Y387-H391 AromaticContact CE1-CD2 3.67Å; Y387-H391 AromaticContact CE2-CD2 3.67Å; Y387-H391 AromaticContact CE2-NE2 3.45Å; Y387-H391 WeakPolarHBondContact CE2-NE2 3.32Å; Y387-H391 AromaticContact CZ-CD2 3.41Å; Y387-H391 VanDerWaalsContact CZ-CD2 3.41Å; Y387-H391 AromaticContact CZ-NE2 3.32Å; Y387-H391 VanDerWaalsContact CZ-NE2 3.32Å; Y387-H391 PolarHBondContact O-CD2 3.38Å; Y387-H391 PolarHBondContact O-N 3.41Å; Y387-H391 PolarHBondContact OH-NE2 3.44Å; Y387-H391 VanDerWaalsContact OH-NE2 3.16Å; V388-H391 PolarHBondContact O-N 3.32Å; H391-R394 PolarHBondContact O-N 3.21Å; H391-G399 CarbonylContact O-C 3.38Å; H391-G399 WeakPolarHBondContact O-CA 3.35Å; H391-A403 HydrophobicContact CB-CB 4.46Å |
| 392 | F | 86 | Confident | 84.8 | Confident | 40 Ų | 40 | 64.8 Ų | 64.8 | 18% | 0.175 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -70.8 | -32.9 | 177.9 | -171.6 | -112.6 | 0 | 0 | 0 | 113.1 | V388 Q389 K400 A403 G426 M427 A430 | V388-F392 VanDerWaalsContact O-CB 3.23Å; V388-F392 WeakPolarHBondContact O-CB 3.45Å; V388-F392 PolarHBondContact O-N 3.13Å; Q389-F392 PolarHBondContact O-N 3.3Å; F392-K400 HydrophobicContact CD2-CB 4.44Å; F392-K400 HydrophobicContact CD2-CG 4.04Å; F392-K400 HydrophobicContact CE2-CB 4.49Å; F392-K400 HydrophobicContact CE2-CD 4.37Å; F392-K400 HydrophobicContact CE2-CG 4.04Å; F392-A403 HydrophobicContact CB-CB 4.06Å; F392-A403 HydrophobicContact CD2-CB 4.29Å; F392-G426 WeakPolarHBondContact CZ-O 3.47Å; F392-M427 HydrophobicContact CB-CE 4.37Å; F392-M427 HydrophobicContact CD1-CE 4.33Å; F392-M427 HydrophobicContact CD2-CE 3.07Å; F392-M427 HydrophobicContact CE1-CE 4.42Å; F392-M427 HydrophobicContact CE2-CE 3.18Å; F392-M427 HydrophobicContact CG-CE 3.69Å; F392-M427 HydrophobicContact CZ-CE 3.89Å; F392-A430 HydrophobicContact CE2-CB 3.9Å; F392-A430 HydrophobicContact CZ-CB 4.14Å |
| 393 | R | 85.4 | Confident | 84.7 | Confident | 178 Ų | 178 | 59 Ų | 59 | 67% | 0.672 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -76.9 | -20.5 | 176.5 | -74.6 | 179.2 | 177.8 | 150.7 | 3.2 | 113.7 | Q389 S395 | Q389-R393 VanDerWaalsContact CD-NH1 3.32Å; Q389-R393 VanDerWaalsContact CG-CZ 3.46Å; Q389-R393 WeakPolarHBondContact O-CB 3.22Å; Q389-R393 WeakPolarHBondContact O-CG 3.31Å; Q389-R393 PolarHBondContact O-N 3.32Å; Q389-R393 VanDerWaalsContact OE1-CZ 3.31Å; R393-S395 PolarHBondContact O-N 3.01Å |
| 394 | R | 80.4 | Confident | 84.6 | Confident | 129 Ų | 129 | 57.6 Ų | 57.6 | 49% | 0.487 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -61.2 | 135.5 | 177.4 | -76.6 | 174.7 | -172.2 | -160.9 | 4.5 | 109.9 | E390 H391 G396 | E390-R394 WeakPolarHBondContact O-CG 3.48Å; E390-R394 PolarHBondContact O-N 2.83Å; E390-R394 IonicContact OE1-CZ 2.87Å; E390-R394 IonicContact OE1-NE 2.71Å; E390-R394 IonicContact OE1-NH2 2.72Å; E390-R394 PolarHBondContact OE1-NH2 3.04Å; H391-R394 PolarHBondContact O-N 3.21Å; R394-G396 PolarHBondContact O-N 2.95Å |
| 395 | S | 62.8 | Low | 84.5 | Confident | 129 Ų | 129 | 58 Ų | 58 | 90% | 0.902 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -67.8 | 120.5 | 178.9 | 52.4 | 0 | 0 | 0 | 0 | 110.7 | R393 | R393-S395 PolarHBondContact O-N 3.01Š|
| 396 | G | 74.7 | Confident | 84.5 | Confident | 44 Ų | 44 | 54.7 Ų | 54.7 | 45% | 0.454 | 27% | 0.271 | S | S | . | . | S | Bend | trans | 136.3 | 157.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | R394 | R394-G396 PolarHBondContact O-N 2.95Š|
| 397 | L | 78.9 | Confident | 84.5 | Confident | 79 Ų | 79 | 50.8 Ų | 50.8 | 41% | 0.414 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -70.1 | -35.8 | 177.3 | -159.2 | 79.6 | 0 | 0 | 0 | 111.4 | G399 K400 L401 L434 H442 | L397-G399 VanDerWaalsContact C-N 3.31Å; L397-G399 PolarHBondContact O-N 3.45Å; L397-K400 WeakPolarHBondContact O-CB 3.47Å; L397-K400 PolarHBondContact O-N 3.42Å; L397-K400 VanDerWaalsContact O-N 3.1Å; L397-L401 HydrophobicContact CD2-CD1 4.18Å; L397-L401 HydrophobicContact CG-CD1 4.15Å; L397-L401 HydrophobicContact CG-CG 4.47Å; L397-L401 WeakPolarHBondContact O-CG 3.5Å; L397-L401 PolarHBondContact O-N 3.42Å; L397-L434 HydrophobicContact CD1-CD2 4.13Å; L397-H442 WeakPolarHBondContact CD2-CE1 3.29Å; L397-H442 WeakPolarHBondContact CD2-NE2 3.33Å |
| 398 | D | 79.3 | Confident | 84.4 | Confident | 93 Ų | 93 | 49.8 Ų | 49.8 | 50% | 0.497 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.3 | -38.1 | 179.9 | -55.8 | -13.4 | 0 | 0 | 0 | 112.8 | L401 R402 | D398-L401 PolarHBondContact O-N 3.47Å; D398-R402 WeakPolarHBondContact O-CB 3.3Å; D398-R402 VanDerWaalsContact O-CG 3.25Å; D398-R402 WeakPolarHBondContact O-CG 3.27Å; D398-R402 PolarHBondContact O-N 3.31Å |
| 399 | G | 81.9 | Confident | 84.4 | Confident | 10 Ų | 10 | 49.9 Ų | 49.9 | 10% | 0.103 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.2 | -42.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | H391 L397 A403 | H391-G399 CarbonylContact O-C 3.38Å; H391-G399 WeakPolarHBondContact O-CA 3.35Å; L397-G399 VanDerWaalsContact C-N 3.31Å; L397-G399 PolarHBondContact O-N 3.45Å; G399-A403 WeakPolarHBondContact O-CB 3.4Å; G399-A403 PolarHBondContact O-N 2.92Å |
| 400 | K | 85.3 | Confident | 84.4 | Confident | 87 Ų | 87 | 47.2 Ų | 47.2 | 38% | 0.378 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -67.7 | -42 | 176.8 | -64.2 | -176.5 | 178.9 | -178.6 | 0 | 112.1 | F392 L397 A403 I404 | F392-K400 HydrophobicContact CD2-CB 4.44Å; F392-K400 HydrophobicContact CD2-CG 4.04Å; F392-K400 HydrophobicContact CE2-CB 4.49Å; F392-K400 HydrophobicContact CE2-CD 4.37Å; F392-K400 HydrophobicContact CE2-CG 4.04Å; L397-K400 WeakPolarHBondContact O-CB 3.47Å; L397-K400 PolarHBondContact O-N 3.42Å; L397-K400 VanDerWaalsContact O-N 3.1Å; K400-A403 PolarHBondContact O-N 3.06Å; K400-I404 WeakPolarHBondContact O-CG1 3.39Å; K400-I404 PolarHBondContact O-N 3.5Å |
| 401 | L | 86.1 | Confident | 84.3 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.8 | -43.5 | 177.4 | -70.2 | 166.9 | 0 | 0 | 0 | 111.8 | L346 L397 D398 A403 I404 Q405 L434 H442 | L346-L401 HydrophobicContact CD1-CD1 3.55Å; L397-L401 HydrophobicContact CD2-CD1 4.18Å; L397-L401 HydrophobicContact CG-CD1 4.15Å; L397-L401 HydrophobicContact CG-CG 4.47Å; L397-L401 WeakPolarHBondContact O-CG 3.5Å; L397-L401 PolarHBondContact O-N 3.42Å; D398-L401 PolarHBondContact O-N 3.47Å; L401-A403 PolarHBondContact O-N 3.1Å; L401-I404 PolarHBondContact O-N 3.29Å; L401-Q405 WeakPolarHBondContact O-CB 3.48Å; L401-Q405 PolarHBondContact O-N 3.48Å; L401-L434 HydrophobicContact CD2-CD1 3.74Å; L401-L434 HydrophobicContact CD2-CD2 4.09Å; L401-H442 WeakPolarHBondContact CD1-CD2 3.39Å; L401-H442 HydrophobicContact CD2-CB 4.46Å |
| 402 | R | 86.9 | Confident | 84.3 | Confident | 69 Ų | 69 | 45.8 Ų | 45.8 | 26% | 0.26 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.3 | -41.7 | 174.3 | -70.8 | 179.3 | -172.3 | -125.1 | 11.6 | 112.2 | G341 D398 Q405 T406 | G341-R402 WeakPolarHBondContact O-CA 3.47Å; G341-R402 WeakPolarHBondContact O-CB 3.47Å; G341-R402 WeakPolarHBondContact O-CG 3.22Å; D398-R402 WeakPolarHBondContact O-CB 3.3Å; D398-R402 VanDerWaalsContact O-CG 3.25Å; D398-R402 WeakPolarHBondContact O-CG 3.27Å; D398-R402 PolarHBondContact O-N 3.31Å; R402-Q405 PolarHBondContact O-N 3.48Å; R402-T406 WeakPolarHBondContact O-CB 3.47Å; R402-T406 PolarHBondContact O-N 2.92Å; R402-T406 PolarHBondContact O-OG1 3.02Å |
| 403 | A | 87.9 | Confident | 84.2 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.4 | -47.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V388 H391 F392 G399 K400 L401 T406 V407 M427 | V388-A403 HydrophobicContact CG1-CB 4.28Å; H391-A403 HydrophobicContact CB-CB 4.46Å; F392-A403 HydrophobicContact CB-CB 4.06Å; F392-A403 HydrophobicContact CD2-CB 4.29Å; G399-A403 WeakPolarHBondContact O-CB 3.4Å; G399-A403 PolarHBondContact O-N 2.92Å; K400-A403 PolarHBondContact O-N 3.06Å; L401-A403 PolarHBondContact O-N 3.1Å; A403-T406 WeakPolarHBondContact O-CB 3.32Å; A403-T406 PolarHBondContact O-N 3.38Å; A403-V407 WeakPolarHBondContact O-CG2 3.33Å; A403-V407 PolarHBondContact O-N 3.22Å; A403-M427 HydrophobicContact CB-CE 4.25Å |
| 404 | I | 88.1 | Confident | 84.3 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.3 | -38.8 | -179.9 | -66.4 | 167.2 | 0 | 0 | 0 | 111.5 | K400 L401 T406 V407 S408 M427 A430 V431 L434 V445 A449 | K400-I404 WeakPolarHBondContact O-CG1 3.39Å; K400-I404 PolarHBondContact O-N 3.5Å; L401-I404 PolarHBondContact O-N 3.29Å; I404-T406 VanDerWaalsContact C-N 3.32Å; I404-T406 PolarHBondContact O-N 2.8Å; I404-V407 PolarHBondContact O-N 3.34Å; I404-S408 WeakPolarHBondContact O-CB 3.4Å; I404-S408 PolarHBondContact O-N 3.25Å; I404-M427 HydrophobicContact CG1-CE 4.01Å; I404-A430 HydrophobicContact CD1-CB 4.22Å; I404-V431 HydrophobicContact CD1-CG2 3.92Å; I404-V431 HydrophobicContact CG1-CG2 4.08Å; I404-V431 HydrophobicContact CG2-CG2 3.98Å; I404-L434 HydrophobicContact CD1-CD1 3.33Å; I404-V445 HydrophobicContact CB-CG1 4.25Å; I404-V445 HydrophobicContact CG2-CG1 3.83Å; I404-A449 HydrophobicContact CG2-CB 3.91Å |
| 405 | Q | 89.4 | Confident | 84.5 | Confident | 9 Ų | 9 | 31.2 Ų | 31.2 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62 | -41.2 | 173.4 | -174.6 | 62.9 | 21.2 | 0 | 0 | 111.4 | V343 H357 L401 R402 V407 S408 V409 V445 | V343-Q405 HydrophobicContact CG2-CB 4.09Å; V343-Q405 HydrophobicContact CG2-CG 4.22Å; H357-Q405 PolarHBondContact CE1-NE2 3.42Å; H357-Q405 VanDerWaalsContact CE1-NE2 3.31Å; H357-Q405 PolarHBondContact ND1-NE2 2.88Å; L401-Q405 WeakPolarHBondContact O-CB 3.48Å; L401-Q405 PolarHBondContact O-N 3.48Å; R402-Q405 PolarHBondContact O-N 3.48Å; Q405-V407 VanDerWaalsContact C-N 3.35Å; Q405-V407 PolarHBondContact O-N 2.79Å; Q405-S408 VanDerWaalsContact O-CB 3.32Å; Q405-S408 WeakPolarHBondContact O-CB 3.25Å; Q405-S408 PolarHBondContact O-N 3.35Å; Q405-V409 WeakPolarHBondContact O-CG2 3.24Å; Q405-V409 PolarHBondContact O-N 2.9Å; Q405-V445 HydrophobicContact CB-CG1 4.3Å |
| 406 | T | 89.6 | Confident | 85.4 | Confident | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.012 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.7 | -43.9 | 175.7 | -53.3 | 0 | 0 | 0 | 0 | 111 | L337 G341 Y387 V388 R402 A403 I404 S408 V409 L410 | L337-T406 HydrophobicContact CD2-CG2 3.87Å; G341-T406 WeakPolarHBondContact CA-OG1 3.5Å; Y387-T406 HydrophobicContact CD1-CG2 4.3Å; Y387-T406 HydrophobicContact CE1-CG2 4.34Å; V388-T406 HydrophobicContact CG2-CG2 4.09Å; R402-T406 WeakPolarHBondContact O-CB 3.47Å; R402-T406 PolarHBondContact O-N 2.92Å; R402-T406 PolarHBondContact O-OG1 3.02Å; A403-T406 WeakPolarHBondContact O-CB 3.32Å; A403-T406 PolarHBondContact O-N 3.38Å; I404-T406 VanDerWaalsContact C-N 3.32Å; I404-T406 PolarHBondContact O-N 2.8Å; T406-S408 VanDerWaalsContact C-N 3.33Å; T406-S408 PolarHBondContact O-N 3.26Å; T406-V409 PolarHBondContact O-N 2.94Å; T406-L410 HydrophobicContact CG2-CD1 4.23Å; T406-L410 WeakPolarHBondContact O-CG 3.43Å; T406-L410 PolarHBondContact O-N 3.4Å |
| 407 | V | 89.1 | Confident | 86 | Confident | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.012 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.5 | -41.5 | 175 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | V388 A403 I404 Q405 V409 L410 L411 L422 M427 | V388-V407 HydrophobicContact CG1-CG2 3.99Å; V388-V407 HydrophobicContact CG2-CG2 4.34Å; A403-V407 WeakPolarHBondContact O-CG2 3.33Å; A403-V407 PolarHBondContact O-N 3.22Å; I404-V407 PolarHBondContact O-N 3.34Å; Q405-V407 VanDerWaalsContact C-N 3.35Å; Q405-V407 PolarHBondContact O-N 2.79Å; V407-V409 PolarHBondContact O-N 2.83Å; V407-L410 PolarHBondContact O-N 3.4Å; V407-L411 HydrophobicContact CG1-CD1 3.87Å; V407-L411 HydrophobicContact CG1-CG 4.21Å; V407-L411 WeakPolarHBondContact O-CB 3.35Å; V407-L411 VanDerWaalsContact O-CG 3.27Å; V407-L411 WeakPolarHBondContact O-CG 3.49Å; V407-L411 PolarHBondContact O-N 2.7Å; V407-L422 HydrophobicContact CG1-CB 4.11Å; V407-L422 HydrophobicContact CG1-CD1 4.02Å; V407-M427 HydrophobicContact CG2-SD 3.83Å |
| 408 | S | 88.3 | Confident | 86.3 | Confident | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.007 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -57.2 | -46 | 175.5 | -171.7 | 0 | 0 | 0 | 0 | 112.2 | I404 Q405 T406 L411 Q412 H452 | I404-S408 WeakPolarHBondContact O-CB 3.4Å; I404-S408 PolarHBondContact O-N 3.25Å; Q405-S408 VanDerWaalsContact O-CB 3.32Å; Q405-S408 WeakPolarHBondContact O-CB 3.25Å; Q405-S408 PolarHBondContact O-N 3.35Å; T406-S408 VanDerWaalsContact C-N 3.33Å; T406-S408 PolarHBondContact O-N 3.26Å; S408-L411 PolarHBondContact O-N 3.27Å; S408-Q412 PolarHBondContact O-N 3.49Å; S408-H452 PolarHBondContact O-ND1 3.45Å; S408-H452 PolarHBondContact OG-CE1 3.48Å; S408-H452 PolarHBondContact OG-ND1 2.7Å |
| 409 | V | 88.9 | Confident | 86.5 | Confident | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.012 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -66.6 | -38.7 | 177 | 175.7 | 0 | 0 | 0 | 0 | 112 | A340 H357 C360 S361 L364 Q405 T406 V407 Q412 G413 | A340-V409 HydrophobicContact CB-CB 4.21Å; A340-V409 HydrophobicContact CB-CG1 3.93Å; A340-V409 HydrophobicContact CB-CG2 4.27Å; H357-V409 HydrophobicContact CB-CG2 4.05Å; C360-V409 HydrophobicContact CB-CG1 4.29Å; S361-V409 PolarHBondContact OG-O 3.36Å; L364-V409 HydrophobicContact CD1-CG1 4.31Å; Q405-V409 WeakPolarHBondContact O-CG2 3.24Å; Q405-V409 PolarHBondContact O-N 2.9Å; T406-V409 PolarHBondContact O-N 2.94Å; V407-V409 PolarHBondContact O-N 2.83Å; V409-Q412 PolarHBondContact O-N 3Å; V409-G413 PolarHBondContact O-N 3.13Å; V409-G413 VanDerWaalsContact O-N 3.13Å |
| 410 | L | 89.7 | Confident | 86.6 | Confident | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.2 | -39.1 | 176 | -72.2 | 170.6 | 0 | 0 | 0 | 112.2 | L337 L364 C384 V388 T406 V407 Q412 G413 P414 S415 T421 | L337-L410 HydrophobicContact CD2-CD2 4.26Å; L364-L410 HydrophobicContact CD1-CD2 4.03Å; C384-L410 HydrophobicContact CB-CD1 4.41Å; V388-L410 HydrophobicContact CG2-CD1 4.48Å; T406-L410 HydrophobicContact CG2-CD1 4.23Å; T406-L410 WeakPolarHBondContact O-CG 3.43Å; T406-L410 PolarHBondContact O-N 3.4Å; V407-L410 PolarHBondContact O-N 3.4Å; L410-Q412 VanDerWaalsContact C-N 3.3Å; L410-Q412 PolarHBondContact O-N 2.93Å; L410-G413 CarbonylContact O-C 3.51Å; L410-G413 PolarHBondContact O-N 3.47Å; L410-P414 HydrophobicContact CD2-CG 3.88Å; L410-P414 CarbonylContact O-C 3.46Å; L410-P414 WeakPolarHBondContact O-CD 3.26Å; L410-P414 VanDerWaalsContact O-O 3.12Å; L410-S415 PolarHBondContact O-N 2.83Å; L410-T421 HydrophobicContact CD1-CG2 4.41Å |
| 411 | L | 86.6 | Confident | 86.6 | Confident | 10 Ų | 10 | 16.8 Ų | 16.8 | 5% | 0.052 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.5 | -35.8 | 176.1 | -75.4 | 167 | 0 | 0 | 0 | 112.3 | V407 S408 G418 N419 L422 H452 A453 | V407-L411 HydrophobicContact CG1-CD1 3.87Å; V407-L411 HydrophobicContact CG1-CG 4.21Å; V407-L411 WeakPolarHBondContact O-CB 3.35Å; V407-L411 VanDerWaalsContact O-CG 3.27Å; V407-L411 WeakPolarHBondContact O-CG 3.49Å; V407-L411 PolarHBondContact O-N 2.7Å; S408-L411 PolarHBondContact O-N 3.27Å; L411-G418 VanDerWaalsContact CD2-C 3.46Å; L411-N419 WeakPolarHBondContact CD2-OD1 3.5Å; L411-L422 HydrophobicContact CD1-CD2 4.39Å; L411-H452 HydrophobicContact CB-CB 3.74Å; L411-H452 HydrophobicContact CD1-CB 4.37Å; L411-A453 HydrophobicContact CD1-CB 3.95Å |
| 412 | Q | 84.6 | Confident | 86.5 | Confident | 72 Ų | 72 | 17.2 Ų | 17.2 | 34% | 0.336 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -74.2 | -27.8 | 176 | -173.4 | 175.2 | 28 | 0 | 0 | 113 | M358 S361 S408 V409 L410 | M358-Q412 HydrophobicContact SD-CG 4.44Å; M358-Q412 PolarHBondContact SD-NE2 3.39Å; S361-Q412 WeakPolarHBondContact OG-CB 3.45Å; S408-Q412 PolarHBondContact O-N 3.49Å; V409-Q412 PolarHBondContact O-N 3Å; L410-Q412 VanDerWaalsContact C-N 3.3Å; L410-Q412 PolarHBondContact O-N 2.93Å |
| 413 | G | 85.1 | Confident | 86.3 | Confident | 13 Ų | 13 | 20.2 Ų | 20.2 | 13% | 0.134 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -102.5 | -106.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | S361 V409 L410 S415 | S361-G413 WeakPolarHBondContact OG-CA 3.41Å; S361-G413 PolarHBondContact OG-N 2.86Å; V409-G413 PolarHBondContact O-N 3.13Å; V409-G413 VanDerWaalsContact O-N 3.13Å; L410-G413 CarbonylContact O-C 3.51Å; L410-G413 PolarHBondContact O-N 3.47Å; G413-S415 PolarHBondContact O-N 3.48Å |
| 414 | P | 86.8 | Confident | 86 | Confident | 5 Ų | 5 | 21.5 Ų | 21.5 | 3% | 0.032 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -73.9 | 79 | 173.8 | 33.9 | -35.6 | 0 | 0 | 0 | 110.6 | L364 Y368 F380 L410 D416 V417 G418 | L364-P414 HydrophobicContact CB-CG 4.12Å; Y368-P414 HydrophobicContact CD1-CB 4.27Å; Y368-P414 HydrophobicContact CD2-CB 4.35Å; Y368-P414 HydrophobicContact CG-CB 3.95Å; F380-P414 HydrophobicContact CE1-CG 4.38Å; L410-P414 HydrophobicContact CD2-CG 3.88Å; L410-P414 CarbonylContact O-C 3.46Å; L410-P414 WeakPolarHBondContact O-CD 3.26Å; L410-P414 VanDerWaalsContact O-O 3.12Å; P414-D416 PolarHBondContact O-N 3.24Å; P414-V417 HydrophobicContact CB-CB 4.43Å; P414-V417 HydrophobicContact CB-CG2 4.04Å; P414-V417 HydrophobicContact CG-CB 4.44Å; P414-V417 HydrophobicContact CG-CG2 4.45Å; P414-V417 WeakPolarHBondContact O-CB 3.47Å; P414-V417 PolarHBondContact O-N 3.29Å; P414-G418 PolarHBondContact O-N 3.13Å; P414-G418 VanDerWaalsContact O-N 3.14Å |
| 415 | S | 83.4 | Confident | 85.6 | Confident | 24 Ų | 24 | 27.2 Ų | 27.2 | 17% | 0.168 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -55 | -29.8 | -170.9 | 68.1 | 0 | 0 | 0 | 0 | 114 | L410 G413 V417 G418 N419 K456 | L410-S415 PolarHBondContact O-N 2.83Å; G413-S415 PolarHBondContact O-N 3.48Å; S415-V417 VanDerWaalsContact C-N 3.34Å; S415-G418 PolarHBondContact O-N 2.86Å; S415-N419 PolarHBondContact O-N 3.02Å; S415-N419 PolarHBondContact O-ND2 3.12Å; S415-K456 WeakPolarHBondContact OG-CE 3.46Å; S415-K456 PolarHBondContact OG-NZ 3.22Å |
| 416 | D | 83.4 | Confident | 85.2 | Confident | 61 Ų | 61 | 28.1 Ų | 28.1 | 33% | 0.326 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -69.2 | -36.5 | -178.8 | -62.2 | -17.3 | 0 | 0 | 0 | 110.9 | P414 N419 I420 K456 | P414-D416 PolarHBondContact O-N 3.24Å; D416-N419 PolarHBondContact O-N 3.16Å; D416-I420 WeakPolarHBondContact O-CD1 3.47Å; D416-I420 VanDerWaalsContact O-CG1 3.29Å; D416-I420 WeakPolarHBondContact O-CG1 3.35Å; D416-I420 PolarHBondContact O-N 3.25Å; D416-I420 VanDerWaalsContact O-N 3.15Å; D416-K456 IonicContact OD1-NZ 3.62Å; D416-K456 PolarHBondContact OD1-NZ 3.29Å; D416-K456 IonicContact OD2-NZ 3.24Å |
| 417 | V | 85.9 | Confident | 84.8 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -72 | -40.1 | 173.1 | -169.9 | 0 | 0 | 0 | 0 | 110.9 | Y368 F380 N381 C384 P414 S415 N419 I420 T421 | Y368-V417 HydrophobicContact CD2-CG2 4.09Å; Y368-V417 HydrophobicContact CE2-CG2 3.69Å; F380-V417 HydrophobicContact CD1-CG2 4.17Å; F380-V417 HydrophobicContact CE1-CG2 4.15Å; N381-V417 WeakPolarHBondContact OD1-CG2 3.31Å; C384-V417 HydrophobicContact CB-CG1 3.75Å; P414-V417 HydrophobicContact CB-CB 4.43Å; P414-V417 HydrophobicContact CB-CG2 4.04Å; P414-V417 HydrophobicContact CG-CB 4.44Å; P414-V417 HydrophobicContact CG-CG2 4.45Å; P414-V417 WeakPolarHBondContact O-CB 3.47Å; P414-V417 PolarHBondContact O-N 3.29Å; S415-V417 VanDerWaalsContact C-N 3.34Å; V417-N419 VanDerWaalsContact C-N 3.29Å; V417-N419 PolarHBondContact O-N 3.23Å; V417-I420 PolarHBondContact O-N 3.25Å; V417-T421 WeakPolarHBondContact O-CG2 3.4Å; V417-T421 PolarHBondContact O-N 3.12Å; V417-T421 PolarHBondContact O-OG1 3.07Å |
| 418 | G | 85.3 | Confident | 84.4 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57 | -42.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L411 P414 S415 T421 L422 | L411-G418 VanDerWaalsContact CD2-C 3.46Å; P414-G418 PolarHBondContact O-N 3.13Å; P414-G418 VanDerWaalsContact O-N 3.14Å; S415-G418 PolarHBondContact O-N 2.86Å; G418-T421 WeakPolarHBondContact CA-OG1 3.47Å; G418-T421 PolarHBondContact O-N 3.38Å; G418-T421 PolarHBondContact O-OG1 3.25Å; G418-L422 VanDerWaalsContact O-CB 3.29Å; G418-L422 WeakPolarHBondContact O-CB 3.3Å; G418-L422 PolarHBondContact O-N 3.27Å |
| 419 | N | 83.8 | Confident | 84.1 | Confident | 16 Ų | 16 | 34.8 Ų | 34.8 | 9% | 0.086 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.3 | -44.4 | 177.2 | -70.9 | -40.1 | 0 | 0 | 0 | 112.3 | L411 S415 D416 V417 T421 L422 E423 | L411-N419 WeakPolarHBondContact CD2-OD1 3.5Å; S415-N419 PolarHBondContact O-N 3.02Å; S415-N419 PolarHBondContact O-ND2 3.12Å; D416-N419 PolarHBondContact O-N 3.16Å; V417-N419 VanDerWaalsContact C-N 3.29Å; V417-N419 PolarHBondContact O-N 3.23Å; N419-T421 VanDerWaalsContact C-N 3.3Å; N419-T421 PolarHBondContact O-N 3.18Å; N419-L422 PolarHBondContact O-N 3.4Å; N419-E423 WeakPolarHBondContact O-CG 3.47Å; N419-E423 PolarHBondContact O-N 3.39Å |
| 420 | I | 84.6 | Confident | 83.9 | Confident | 60 Ų | 60 | 35.3 Ų | 35.3 | 31% | 0.308 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -58.8 | -44.1 | 176.9 | -67.6 | 162.7 | 0 | 0 | 0 | 110.7 | D416 V417 E423 | D416-I420 WeakPolarHBondContact O-CD1 3.47Å; D416-I420 VanDerWaalsContact O-CG1 3.29Å; D416-I420 WeakPolarHBondContact O-CG1 3.35Å; D416-I420 PolarHBondContact O-N 3.25Å; D416-I420 VanDerWaalsContact O-N 3.15Å; V417-I420 PolarHBondContact O-N 3.25Å; I420-E423 PolarHBondContact O-N 2.71Å |
| 421 | T | 84.8 | Confident | 83.6 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -71.2 | -30 | 178.9 | 51.1 | 0 | 0 | 0 | 0 | 112.9 | V388 L410 V417 G418 N419 M424 | V388-T421 HydrophobicContact CG2-CG2 4.28Å; L410-T421 HydrophobicContact CD1-CG2 4.41Å; V417-T421 WeakPolarHBondContact O-CG2 3.4Å; V417-T421 PolarHBondContact O-N 3.12Å; V417-T421 PolarHBondContact O-OG1 3.07Å; G418-T421 WeakPolarHBondContact CA-OG1 3.47Å; G418-T421 PolarHBondContact O-N 3.38Å; G418-T421 PolarHBondContact O-OG1 3.25Å; N419-T421 VanDerWaalsContact C-N 3.3Å; N419-T421 PolarHBondContact O-N 3.18Å; T421-M424 HydrophobicContact CG2-SD 4.41Å; T421-M424 WeakPolarHBondContact O-CB 3.31Å; T421-M424 WeakPolarHBondContact O-CG 3.39Å; T421-M424 PolarHBondContact O-N 3.11Å |
| 422 | L | 83.6 | Confident | 83.4 | Confident | 10 Ų | 10 | 37.5 Ų | 37.5 | 5% | 0.052 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -71.7 | -34 | 174.1 | -170.8 | 67.3 | 0 | 0 | 0 | 112.9 | V407 L411 G418 N419 M424 M427 M428 A453 I463 | V407-L422 HydrophobicContact CG1-CB 4.11Å; V407-L422 HydrophobicContact CG1-CD1 4.02Å; L411-L422 HydrophobicContact CD1-CD2 4.39Å; G418-L422 VanDerWaalsContact O-CB 3.29Å; G418-L422 WeakPolarHBondContact O-CB 3.3Å; G418-L422 PolarHBondContact O-N 3.27Å; N419-L422 PolarHBondContact O-N 3.4Å; L422-M424 PolarHBondContact O-N 3.12Å; L422-M427 HydrophobicContact CD1-CG 4.3Å; L422-M428 HydrophobicContact CD1-CG 4.24Å; L422-M428 HydrophobicContact CD1-SD 3.55Å; L422-M428 VanDerWaalsContact CD1-SD 3.55Å; L422-M428 HydrophobicContact CD2-SD 3.91Å; L422-M428 HydrophobicContact CG-CG 4.13Å; L422-M428 HydrophobicContact CG-SD 3.68Å; L422-A453 HydrophobicContact CD2-CB 3.81Å; L422-I463 HydrophobicContact CD2-CD1 3.63Å |
| 423 | E | 82.7 | Confident | 83.5 | Confident | 132 Ų | 132 | 38 Ų | 38 | 62% | 0.617 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -3 | 177 | -72.7 | 173.1 | -167.2 | 0 | 0 | 113.2 | N419 I420 | N419-E423 WeakPolarHBondContact O-CG 3.47Å; N419-E423 PolarHBondContact O-N 3.39Å; I420-E423 PolarHBondContact O-N 2.71Å |
| 424 | M | 82.6 | Confident | 83.5 | Confident | 28 Ų | 28 | 37.8 Ų | 37.8 | 14% | 0.138 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -60 | 139 | 174.2 | -68.4 | 174.7 | 68.9 | 0 | 0 | 111.7 | E385 V388 Q389 T421 L422 G426 M427 | E385-M424 HydrophobicContact CG-CE 4.29Å; E385-M424 HydrophobicContact CG-SD 4.07Å; V388-M424 HydrophobicContact CG1-SD 4.09Å; Q389-M424 HydrophobicContact CB-CE 3.66Å; Q389-M424 HydrophobicContact CG-CE 4Å; T421-M424 HydrophobicContact CG2-SD 4.41Å; T421-M424 WeakPolarHBondContact O-CB 3.31Å; T421-M424 WeakPolarHBondContact O-CG 3.39Å; T421-M424 PolarHBondContact O-N 3.11Å; L422-M424 PolarHBondContact O-N 3.12Å; M424-G426 PolarHBondContact O-N 3.26Å; M424-M427 HydrophobicContact CB-CB 4.33Å; M424-M427 WeakPolarHBondContact O-CB 3.35Å; M424-M427 PolarHBondContact O-N 3.4Å |
| 425 | S | 79.2 | Confident | 83.2 | Confident | 122 Ų | 122 | 37.8 Ų | 37.8 | 85% | 0.853 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54 | 122.8 | -178.5 | -176.1 | 0 | 0 | 0 | 0 | 112.2 | M427 | S425-M427 VanDerWaalsContact C-N 3.34Å; S425-M427 PolarHBondContact O-N 3.43Å |
| 426 | G | 80.7 | Confident | 83.2 | Confident | 27 Ų | 27 | 40.6 Ų | 40.6 | 28% | 0.278 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | -4.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | F392 M424 A430 | F392-G426 WeakPolarHBondContact CZ-O 3.47Å; M424-G426 PolarHBondContact O-N 3.26Å; G426-A430 WeakPolarHBondContact O-CB 3.03Å; G426-A430 PolarHBondContact O-N 3.22Å; G426-A430 VanDerWaalsContact O-N 3.14Å |
| 427 | M | 82.9 | Confident | 83.2 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.2 | -49.6 | 179.2 | -175.7 | 103.9 | -66.2 | 0 | 0 | 111.5 | V388 F392 A403 I404 V407 L422 M424 S425 D429 A430 V431 | V388-M427 HydrophobicContact CG1-SD 4.13Å; F392-M427 HydrophobicContact CB-CE 4.37Å; F392-M427 HydrophobicContact CD1-CE 4.33Å; F392-M427 HydrophobicContact CD2-CE 3.07Å; F392-M427 HydrophobicContact CE1-CE 4.42Å; F392-M427 HydrophobicContact CE2-CE 3.18Å; F392-M427 HydrophobicContact CG-CE 3.69Å; F392-M427 HydrophobicContact CZ-CE 3.89Å; A403-M427 HydrophobicContact CB-CE 4.25Å; I404-M427 HydrophobicContact CG1-CE 4.01Å; V407-M427 HydrophobicContact CG2-SD 3.83Å; L422-M427 HydrophobicContact CD1-CG 4.3Å; M424-M427 HydrophobicContact CB-CB 4.33Å; M424-M427 WeakPolarHBondContact O-CB 3.35Å; M424-M427 PolarHBondContact O-N 3.4Å; S425-M427 VanDerWaalsContact C-N 3.34Å; S425-M427 PolarHBondContact O-N 3.43Å; M427-D429 PolarHBondContact O-N 3.08Å; M427-A430 WeakPolarHBondContact O-CB 3.27Å; M427-A430 PolarHBondContact O-N 3.2Å; M427-V431 WeakPolarHBondContact O-CG2 3.31Å; M427-V431 PolarHBondContact O-N 3.1Å |
| 428 | M | 79.3 | Confident | 82.9 | Confident | 30 Ų | 30 | 48.6 Ų | 48.6 | 15% | 0.148 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.8 | -38.8 | 177.5 | -79.6 | -66 | -70.8 | 0 | 0 | 112.6 | L422 A430 V431 I432 I463 | L422-M428 HydrophobicContact CD1-CG 4.24Å; L422-M428 HydrophobicContact CD1-SD 3.55Å; L422-M428 VanDerWaalsContact CD1-SD 3.55Å; L422-M428 HydrophobicContact CD2-SD 3.91Å; L422-M428 HydrophobicContact CG-CG 4.13Å; L422-M428 HydrophobicContact CG-SD 3.68Å; M428-A430 VanDerWaalsContact C-N 3.26Å; M428-A430 PolarHBondContact O-N 3.04Å; M428-V431 PolarHBondContact O-N 3.49Å; M428-V431 VanDerWaalsContact O-N 3.15Å; M428-I432 VanDerWaalsContact O-CG1 3.31Å; M428-I432 WeakPolarHBondContact O-CG1 3.36Å; M428-I432 PolarHBondContact O-N 3.32Å; M428-I463 HydrophobicContact CE-CG1 4.02Å |
| 429 | D | 83 | Confident | 82.9 | Confident | 113 Ų | 113 | 51.5 Ų | 51.5 | 60% | 0.604 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -62 | -37.7 | 175.7 | -60.7 | -41.5 | 0 | 0 | 0 | 111.2 | M427 I432 S433 | M427-D429 PolarHBondContact O-N 3.08Å; D429-I432 PolarHBondContact O-N 3.39Å; D429-S433 VanDerWaalsContact O-CB 3.31Å; D429-S433 WeakPolarHBondContact O-CB 3.26Å; D429-S433 PolarHBondContact O-N 3.3Å |
| 430 | A | 84.5 | Confident | 82.8 | Confident | 13 Ų | 13 | 53 Ų | 53 | 11% | 0.107 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66 | -42.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | F392 I404 G426 M427 M428 I432 S433 L434 | F392-A430 HydrophobicContact CE2-CB 3.9Å; F392-A430 HydrophobicContact CZ-CB 4.14Å; I404-A430 HydrophobicContact CD1-CB 4.22Å; G426-A430 WeakPolarHBondContact O-CB 3.03Å; G426-A430 PolarHBondContact O-N 3.22Å; G426-A430 VanDerWaalsContact O-N 3.14Å; M427-A430 WeakPolarHBondContact O-CB 3.27Å; M427-A430 PolarHBondContact O-N 3.2Å; M428-A430 VanDerWaalsContact C-N 3.26Å; M428-A430 PolarHBondContact O-N 3.04Å; A430-I432 VanDerWaalsContact C-N 3.34Å; A430-I432 PolarHBondContact O-N 2.89Å; A430-S433 PolarHBondContact O-N 3.23Å; A430-L434 VanDerWaalsContact O-CG 3.28Å; A430-L434 WeakPolarHBondContact O-CG 3.43Å; A430-L434 PolarHBondContact O-N 2.96Å |
| 431 | V | 83.6 | Confident | 82.7 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.006 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 174.9 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | I404 M427 M428 L434 C435 A446 L450 | I404-V431 HydrophobicContact CD1-CG2 3.92Å; I404-V431 HydrophobicContact CG1-CG2 4.08Å; I404-V431 HydrophobicContact CG2-CG2 3.98Å; M427-V431 WeakPolarHBondContact O-CG2 3.31Å; M427-V431 PolarHBondContact O-N 3.1Å; M428-V431 PolarHBondContact O-N 3.49Å; M428-V431 VanDerWaalsContact O-N 3.15Å; V431-L434 PolarHBondContact O-N 3.08Å; V431-C435 PolarHBondContact O-N 3.48Å; V431-C435 PolarHBondContact O-SG 3.49Å; V431-A446 HydrophobicContact CG1-CB 4.21Å; V431-L450 HydrophobicContact CG1-CD1 4.44Å; V431-L450 HydrophobicContact CG1-CD2 4.06Å; V431-L450 HydrophobicContact CG1-CG 3.95Å |
| 432 | I | 82.8 | Confident | 82.8 | Confident | 56 Ų | 56 | 51.8 Ų | 51.8 | 29% | 0.287 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 177.5 | -65.4 | 167 | 0 | 0 | 0 | 110.6 | M428 D429 A430 L434 C435 A436 L470 | M428-I432 VanDerWaalsContact O-CG1 3.31Å; M428-I432 WeakPolarHBondContact O-CG1 3.36Å; M428-I432 PolarHBondContact O-N 3.32Å; D429-I432 PolarHBondContact O-N 3.39Å; A430-I432 VanDerWaalsContact C-N 3.34Å; A430-I432 PolarHBondContact O-N 2.89Å; I432-L434 VanDerWaalsContact C-N 3.34Å; I432-L434 PolarHBondContact O-N 3.26Å; I432-C435 WeakPolarHBondContact O-CB 3.49Å; I432-C435 PolarHBondContact O-N 3.02Å; I432-A436 PolarHBondContact O-N 3.07Å; I432-L470 HydrophobicContact CB-CD1 4.49Å; I432-L470 HydrophobicContact CG1-CD1 3.93Å; I432-L470 HydrophobicContact CG2-CD1 4.08Å |
| 433 | S | 85.1 | Confident | 82.9 | Confident | 82 Ų | 82 | 52.6 Ų | 52.6 | 57% | 0.573 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -62.4 | -39.4 | 177.5 | 179.2 | 0 | 0 | 0 | 0 | 112.4 | D429 A430 A436 S437 | D429-S433 VanDerWaalsContact O-CB 3.31Å; D429-S433 WeakPolarHBondContact O-CB 3.26Å; D429-S433 PolarHBondContact O-N 3.3Å; A430-S433 PolarHBondContact O-N 3.23Å; S433-A436 PolarHBondContact O-N 3.34Å; S433-S437 PolarHBondContact O-N 3.03Å |
| 434 | L | 84.8 | Confident | 83.1 | Confident | 10 Ų | 10 | 48.2 Ų | 48.2 | 5% | 0.052 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -71.2 | -32.8 | 176.8 | -69.2 | 173.4 | 0 | 0 | 0 | 112.5 | L397 L401 I404 A430 V431 I432 A436 S437 H442 A446 | L397-L434 HydrophobicContact CD1-CD2 4.13Å; L401-L434 HydrophobicContact CD2-CD1 3.74Å; L401-L434 HydrophobicContact CD2-CD2 4.09Å; I404-L434 HydrophobicContact CD1-CD1 3.33Å; A430-L434 VanDerWaalsContact O-CG 3.28Å; A430-L434 WeakPolarHBondContact O-CG 3.43Å; A430-L434 PolarHBondContact O-N 2.96Å; V431-L434 PolarHBondContact O-N 3.08Å; I432-L434 VanDerWaalsContact C-N 3.34Å; I432-L434 PolarHBondContact O-N 3.26Å; L434-A436 PolarHBondContact O-N 2.98Å; L434-S437 WeakPolarHBondContact O-CB 3.42Å; L434-S437 PolarHBondContact O-N 3.48Å; L434-S437 VanDerWaalsContact O-N 3.11Å; L434-H442 HydrophobicContact CB-CB 4.44Å; L434-H442 HydrophobicContact CD2-CB 3.98Å; L434-A446 HydrophobicContact CB-CB 3.83Å |
| 435 | C | 82.1 | Confident | 83.2 | Confident | 4 Ų | 4 | 47.2 Ų | 47.2 | 3% | 0.027 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.9 | -31.3 | 171.2 | -69.9 | 0 | 0 | 0 | 0 | 112.2 | V431 I432 A446 L474 | V431-C435 PolarHBondContact O-N 3.48Å; V431-C435 PolarHBondContact O-SG 3.49Å; I432-C435 WeakPolarHBondContact O-CB 3.49Å; I432-C435 PolarHBondContact O-N 3.02Å; C435-A446 WeakPolarHBondContact SG-CB 3.33Å; C435-L474 HydrophobicContact CB-CD1 4.29Å |
| 436 | A | 82.4 | Confident | 83.6 | Confident | 83 Ų | 83 | 41.4 Ų | 41.4 | 69% | 0.686 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -1.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | I432 S433 L434 | I432-A436 PolarHBondContact O-N 3.07Å; S433-A436 PolarHBondContact O-N 3.34Å; L434-A436 PolarHBondContact O-N 2.98Å |
| 437 | S | 83.9 | Confident | 83.9 | Confident | 36 Ų | 36 | 40.1 Ų | 40.1 | 25% | 0.252 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -68.8 | 154.8 | 178.2 | -169.1 | 0 | 0 | 0 | 0 | 111.5 | S433 L434 D439 H442 Q443 | S433-S437 PolarHBondContact O-N 3.03Å; L434-S437 WeakPolarHBondContact O-CB 3.42Å; L434-S437 PolarHBondContact O-N 3.48Å; L434-S437 VanDerWaalsContact O-N 3.11Å; S437-D439 VanDerWaalsContact C-N 3.34Å; S437-H442 PolarHBondContact OG-ND1 3.12Å; S437-Q443 PolarHBondContact O-NE2 3.16Å |
| 438 | E | 80.4 | Confident | 84 | Confident | 195 Ų | 195 | 41 Ų | 41 | 91% | 0.911 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -80.1 | -16.1 | 174.8 | -64.1 | -177.2 | 172 | 0 | 0 | 112.9 | ||
| 439 | D | 83.8 | Confident | 84.3 | Confident | 60 Ų | 60 | 39.8 Ų | 39.8 | 32% | 0.321 | 23% | 0.228 | S | C | . | . | trans | -80.9 | 129.3 | -179.7 | -167.9 | -23.9 | 0 | 0 | 0 | 111.6 | S437 T441 H442 Q443 | S437-D439 VanDerWaalsContact C-N 3.34Å; D439-T441 VanDerWaalsContact C-N 3.28Å; D439-T441 VanDerWaalsContact CG-OG1 3.23Å; D439-T441 PolarHBondContact O-N 3.35Å; D439-T441 PolarHBondContact OD1-N 3.05Å; D439-T441 PolarHBondContact OD1-OG1 3.27Å; D439-T441 PolarHBondContact OD2-OG1 3.27Å; D439-H442 HydrophobicContact CB-CB 4.21Å; D439-H442 VanDerWaalsContact CB-ND1 3.33Å; D439-H442 WeakPolarHBondContact CB-ND1 3.45Å; D439-H442 PolarHBondContact O-N 2.98Å; D439-H442 IonicContact OD2-CD2 2.79Å; D439-H442 IonicContact OD2-CE1 3.37Å; D439-H442 PolarHBondContact OD2-CE1 2.88Å; D439-H442 VanDerWaalsContact OD2-CE1 3.29Å; D439-H442 IonicContact OD2-ND1 3.89Å; D439-H442 IonicContact OD2-NE2 3.63Å; D439-H442 PolarHBondContact OD2-NE2 2.88Å; D439-Q443 WeakPolarHBondContact O-CG 3.26Å; D439-Q443 PolarHBondContact O-N 3.12Å; D439-Q443 VanDerWaalsContact O-N 3.12Å | ||
| 440 | V | 82.8 | Confident | 84.3 | Confident | 48 Ų | 48 | 34.8 Ų | 34.8 | 29% | 0.291 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.2 | -36.6 | 178.4 | -178.5 | 0 | 0 | 0 | 0 | 111.5 | Q443 Q444 I483 | V440-Q443 PolarHBondContact O-N 3.26Å; V440-Q444 VanDerWaalsContact O-CB 3.29Å; V440-Q444 WeakPolarHBondContact O-CB 3.26Å; V440-Q444 PolarHBondContact O-N 2.9Å; V440-I483 HydrophobicContact CG1-CD1 4.14Å; V440-I483 HydrophobicContact CG1-CG1 4.19Å |
| 441 | T | 82.9 | Confident | 84.3 | Confident | 19 Ų | 19 | 34.1 Ų | 34.1 | 12% | 0.117 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -70.1 | -41 | -176.6 | 67.1 | 0 | 0 | 0 | 0 | 111.3 | E345 D439 Q444 V445 | E345-T441 HydrophobicContact CB-CG2 4.43Å; E345-T441 WeakPolarHBondContact OE2-CG2 3.35Å; D439-T441 VanDerWaalsContact C-N 3.28Å; D439-T441 VanDerWaalsContact CG-OG1 3.23Å; D439-T441 PolarHBondContact O-N 3.35Å; D439-T441 PolarHBondContact OD1-N 3.05Å; D439-T441 PolarHBondContact OD1-OG1 3.27Å; D439-T441 PolarHBondContact OD2-OG1 3.27Å; T441-Q444 PolarHBondContact O-N 3.33Å; T441-V445 WeakPolarHBondContact O-CG2 3.39Å; T441-V445 PolarHBondContact O-N 3.45Å; T441-V445 VanDerWaalsContact O-N 3.09Å |
| 442 | H | 86.4 | Confident | 84.3 | Confident | 17 Ų | 17 | 35 Ų | 35 | 8% | 0.079 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.1 | -46.5 | 174.6 | -60.9 | 159.7 | 0 | 0 | 0 | 111.4 | L397 L401 L434 S437 D439 Q444 A446 | L397-H442 WeakPolarHBondContact CD2-CE1 3.29Å; L397-H442 WeakPolarHBondContact CD2-NE2 3.33Å; L401-H442 WeakPolarHBondContact CD1-CD2 3.39Å; L401-H442 HydrophobicContact CD2-CB 4.46Å; L434-H442 HydrophobicContact CB-CB 4.44Å; L434-H442 HydrophobicContact CD2-CB 3.98Å; S437-H442 PolarHBondContact OG-ND1 3.12Å; D439-H442 HydrophobicContact CB-CB 4.21Å; D439-H442 VanDerWaalsContact CB-ND1 3.33Å; D439-H442 WeakPolarHBondContact CB-ND1 3.45Å; D439-H442 PolarHBondContact O-N 2.98Å; D439-H442 IonicContact OD2-CD2 2.79Å; D439-H442 IonicContact OD2-CE1 3.37Å; D439-H442 PolarHBondContact OD2-CE1 2.88Å; D439-H442 VanDerWaalsContact OD2-CE1 3.29Å; D439-H442 IonicContact OD2-ND1 3.89Å; D439-H442 IonicContact OD2-NE2 3.63Å; D439-H442 PolarHBondContact OD2-NE2 2.88Å; H442-Q444 VanDerWaalsContact C-N 3.29Å; H442-Q444 PolarHBondContact O-N 2.89Å; H442-A446 WeakPolarHBondContact O-CB 3.47Å; H442-A446 PolarHBondContact O-N 3.47Å; H442-A446 VanDerWaalsContact O-N 3.11Å |
| 443 | Q | 85.8 | Confident | 84.1 | Confident | 27 Ų | 27 | 32.6 Ų | 32.6 | 13% | 0.126 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.4 | -41.4 | 175.6 | -71.9 | -178.1 | -4.2 | 0 | 0 | 111.1 | S437 D439 V440 A446 V447 I483 | S437-Q443 PolarHBondContact O-NE2 3.16Å; D439-Q443 WeakPolarHBondContact O-CG 3.26Å; D439-Q443 PolarHBondContact O-N 3.12Å; D439-Q443 VanDerWaalsContact O-N 3.12Å; V440-Q443 PolarHBondContact O-N 3.26Å; Q443-A446 PolarHBondContact O-N 3.37Å; Q443-V447 WeakPolarHBondContact O-CB 3.35Å; Q443-V447 WeakPolarHBondContact O-CG2 3.33Å; Q443-V447 PolarHBondContact O-N 3.16Å; Q443-I483 HydrophobicContact CB-CD1 3.94Å; Q443-I483 HydrophobicContact CB-CG1 4.42Å |
| 444 | Q | 85.4 | Confident | 83.7 | Confident | 40 Ų | 40 | 29.4 Ų | 29.4 | 19% | 0.187 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.5 | -53.4 | -179.7 | 179.2 | 173.6 | -31.6 | 0 | 0 | 111.8 | V440 T441 H442 A446 V447 E448 I483 R486 | V440-Q444 VanDerWaalsContact O-CB 3.29Å; V440-Q444 WeakPolarHBondContact O-CB 3.26Å; V440-Q444 PolarHBondContact O-N 2.9Å; T441-Q444 PolarHBondContact O-N 3.33Å; H442-Q444 VanDerWaalsContact C-N 3.29Å; H442-Q444 PolarHBondContact O-N 2.89Å; Q444-A446 VanDerWaalsContact C-N 3.28Å; Q444-A446 PolarHBondContact O-N 3.09Å; Q444-V447 PolarHBondContact O-N 3.17Å; Q444-E448 HydrophobicContact CG-CG 4.49Å; Q444-E448 WeakPolarHBondContact CG-OE1 3.38Å; Q444-E448 PolarHBondContact NE2-OE1 3.42Å; Q444-E448 WeakPolarHBondContact O-CB 3.47Å; Q444-E448 VanDerWaalsContact O-CG 3.31Å; Q444-E448 WeakPolarHBondContact O-CG 3.4Å; Q444-E448 PolarHBondContact O-N 3.44Å; Q444-I483 HydrophobicContact CB-CD1 4.05Å; Q444-R486 VanDerWaalsContact NE2-NH2 3.16Å |
| 445 | V | 85.8 | Confident | 82.8 | Confident | 6 Ų | 6 | 31.2 Ų | 31.2 | 4% | 0.036 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.7 | -41.7 | -179.8 | 172.7 | 0 | 0 | 0 | 0 | 111 | V343 I404 Q405 T441 A449 | V343-V445 HydrophobicContact CG1-CG2 4.48Å; V343-V445 HydrophobicContact CG2-CG2 4.41Å; I404-V445 HydrophobicContact CB-CG1 4.25Å; I404-V445 HydrophobicContact CG2-CG1 3.83Å; Q405-V445 HydrophobicContact CB-CG1 4.3Å; T441-V445 WeakPolarHBondContact O-CG2 3.39Å; T441-V445 PolarHBondContact O-N 3.45Å; T441-V445 VanDerWaalsContact O-N 3.09Å; V445-A449 WeakPolarHBondContact O-CB 3.3Å; V445-A449 PolarHBondContact O-N 3.15Å; V445-A449 VanDerWaalsContact O-N 3.11Å |
| 446 | A | 86.7 | Confident | 81.8 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.7 | -43.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | V431 L434 C435 H442 Q443 Q444 A449 L450 | V431-A446 HydrophobicContact CG1-CB 4.21Å; L434-A446 HydrophobicContact CB-CB 3.83Å; C435-A446 WeakPolarHBondContact SG-CB 3.33Å; H442-A446 WeakPolarHBondContact O-CB 3.47Å; H442-A446 PolarHBondContact O-N 3.47Å; H442-A446 VanDerWaalsContact O-N 3.11Å; Q443-A446 PolarHBondContact O-N 3.37Å; Q444-A446 VanDerWaalsContact C-N 3.28Å; Q444-A446 PolarHBondContact O-N 3.09Å; A446-A449 PolarHBondContact O-N 3.29Å; A446-L450 WeakPolarHBondContact O-CG 3.45Å; A446-L450 PolarHBondContact O-N 2.81Å; A446-L450 VanDerWaalsContact O-N 3.11Å |
| 447 | V | 86.7 | Confident | 80.4 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.8 | -41.7 | 178.1 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | Q443 Q444 A449 L450 I451 L471 L474 R486 | Q443-V447 WeakPolarHBondContact O-CB 3.35Å; Q443-V447 WeakPolarHBondContact O-CG2 3.33Å; Q443-V447 PolarHBondContact O-N 3.16Å; Q444-V447 PolarHBondContact O-N 3.17Å; V447-A449 VanDerWaalsContact C-N 3.35Å; V447-A449 PolarHBondContact O-N 2.99Å; V447-L450 WeakPolarHBondContact O-CB 3.37Å; V447-L450 PolarHBondContact O-N 3.47Å; V447-I451 HydrophobicContact CG1-CD1 3.91Å; V447-I451 HydrophobicContact CG1-CG1 4.37Å; V447-I451 VanDerWaalsContact O-CG1 3.28Å; V447-I451 WeakPolarHBondContact O-CG1 3.26Å; V447-I451 PolarHBondContact O-N 3.44Å; V447-L471 HydrophobicContact CG1-CD2 4.15Å; V447-L474 HydrophobicContact CG2-CD1 3.55Å; V447-R486 HydrophobicContact CG1-CB 3.68Å |
| 448 | E | 86.3 | Confident | 79 | Confident | 22 Ų | 22 | 44.1 Ų | 44.1 | 10% | 0.103 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.8 | -42.6 | 176.7 | -71.1 | -179.9 | -171.5 | 0 | 0 | 111.6 | Q444 L450 I451 H452 R486 W535 | Q444-E448 HydrophobicContact CG-CG 4.49Å; Q444-E448 WeakPolarHBondContact CG-OE1 3.38Å; Q444-E448 PolarHBondContact NE2-OE1 3.42Å; Q444-E448 WeakPolarHBondContact O-CB 3.47Å; Q444-E448 VanDerWaalsContact O-CG 3.31Å; Q444-E448 WeakPolarHBondContact O-CG 3.4Å; Q444-E448 PolarHBondContact O-N 3.44Å; E448-L450 VanDerWaalsContact C-N 3.33Å; E448-L450 PolarHBondContact O-N 2.85Å; E448-I451 PolarHBondContact O-N 2.9Å; E448-H452 PolarHBondContact O-N 3.28Å; E448-H452 PolarHBondContact O-ND1 3.42Å; E448-R486 IonicContact OE1-CZ 3.78Å; E448-R486 IonicContact OE1-NE 2.85Å; E448-R486 PolarHBondContact OE1-NE 3.23Å; E448-R486 IonicContact OE1-NH2 3.38Å; E448-R486 PolarHBondContact OE1-NH2 3.17Å; E448-W535 HydrophobicContact CG-CH2 4.23Å; E448-W535 HydrophobicContact CG-CZ2 3.73Å |
| 449 | A | 85.3 | Confident | 77.8 | Confident | 3 Ų | 3 | 42.1 Ų | 42.1 | 3% | 0.025 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.3 | -41.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I404 V445 A446 V447 H452 A453 | I404-A449 HydrophobicContact CG2-CB 3.91Å; V445-A449 WeakPolarHBondContact O-CB 3.3Å; V445-A449 PolarHBondContact O-N 3.15Å; V445-A449 VanDerWaalsContact O-N 3.11Å; A446-A449 PolarHBondContact O-N 3.29Å; V447-A449 VanDerWaalsContact C-N 3.35Å; V447-A449 PolarHBondContact O-N 2.99Å; A449-H452 PolarHBondContact O-N 3.27Å; A449-A453 WeakPolarHBondContact O-CB 3.4Å; A449-A453 PolarHBondContact O-N 2.87Å |
| 450 | L | 83.6 | Confident | 76.3 | Confident | 8 Ų | 8 | 39.6 Ų | 39.6 | 4% | 0.042 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.5 | -40.8 | 175.4 | -71.3 | 173.6 | 0 | 0 | 0 | 112.6 | V431 A446 V447 E448 A453 A454 I463 | V431-L450 HydrophobicContact CG1-CD1 4.44Å; V431-L450 HydrophobicContact CG1-CD2 4.06Å; V431-L450 HydrophobicContact CG1-CG 3.95Å; A446-L450 WeakPolarHBondContact O-CG 3.45Å; A446-L450 PolarHBondContact O-N 2.81Å; A446-L450 VanDerWaalsContact O-N 3.11Å; V447-L450 WeakPolarHBondContact O-CB 3.37Å; V447-L450 PolarHBondContact O-N 3.47Å; E448-L450 VanDerWaalsContact C-N 3.33Å; E448-L450 PolarHBondContact O-N 2.85Å; L450-A453 PolarHBondContact O-N 2.96Å; L450-A454 PolarHBondContact O-N 3.29Å; L450-A454 VanDerWaalsContact O-N 3.12Å; L450-I463 HydrophobicContact CD2-CG2 4.29Å |
| 451 | I | 83.3 | Confident | 75.1 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.4 | -41.9 | 177.6 | -64.2 | 163.6 | 0 | 0 | 0 | 110.8 | V447 E448 A454 R486 V489 K493 W535 | V447-I451 HydrophobicContact CG1-CD1 3.91Å; V447-I451 HydrophobicContact CG1-CG1 4.37Å; V447-I451 VanDerWaalsContact O-CG1 3.28Å; V447-I451 WeakPolarHBondContact O-CG1 3.26Å; V447-I451 PolarHBondContact O-N 3.44Å; E448-I451 PolarHBondContact O-N 2.9Å; I451-A454 WeakPolarHBondContact O-CB 3.38Å; I451-A454 PolarHBondContact O-N 3.14Å; I451-R486 HydrophobicContact CD1-CB 4.05Å; I451-R486 VanDerWaalsContact CD1-O 3.23Å; I451-R486 WeakPolarHBondContact CD1-O 3.39Å; I451-V489 HydrophobicContact CG2-CG1 4.25Å; I451-K493 HydrophobicContact CG2-CD 4.22Å; I451-K493 PolarHBondContact O-NZ 3.05Å; I451-W535 HydrophobicContact CD1-CE3 4.3Å; I451-W535 HydrophobicContact CD1-CH2 4.13Å; I451-W535 HydrophobicContact CD1-CZ3 3.83Å; I451-W535 HydrophobicContact CG2-CH2 4.47Å; I451-W535 HydrophobicContact CG2-CZ3 3.95Å |
| 452 | H | 83.7 | Confident | 73.9 | Confident | 20 Ų | 20 | 47.2 Ų | 47.2 | 9% | 0.093 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.5 | -37.7 | 177.7 | -63.1 | 156.4 | 0 | 0 | 0 | 111.6 | S408 L411 E448 A449 A454 G455 | S408-H452 PolarHBondContact O-ND1 3.45Å; S408-H452 PolarHBondContact OG-CE1 3.48Å; S408-H452 PolarHBondContact OG-ND1 2.7Å; L411-H452 HydrophobicContact CB-CB 3.74Å; L411-H452 HydrophobicContact CD1-CB 4.37Å; E448-H452 PolarHBondContact O-N 3.28Å; E448-H452 PolarHBondContact O-ND1 3.42Å; A449-H452 PolarHBondContact O-N 3.27Å; H452-A454 PolarHBondContact O-N 3.19Å; H452-G455 PolarHBondContact O-N 3.34Å |
| 453 | A | 79.5 | Confident | 72.7 | Confident | 5 Ų | 5 | 47.2 Ų | 47.2 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.5 | -27.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L411 L422 A449 L450 G455 I463 | L411-A453 HydrophobicContact CD1-CB 3.95Å; L422-A453 HydrophobicContact CD2-CB 3.81Å; A449-A453 WeakPolarHBondContact O-CB 3.4Å; A449-A453 PolarHBondContact O-N 2.87Å; L450-A453 PolarHBondContact O-N 2.96Å; A453-G455 PolarHBondContact O-N 3.15Å; A453-I463 HydrophobicContact CB-CD1 3.56Å |
| 454 | A | 75.6 | Confident | 71.4 | Confident | 14 Ų | 14 | 48.8 Ų | 48.8 | 12% | 0.116 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | 2.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L450 I451 H452 K493 L494 | L450-A454 PolarHBondContact O-N 3.29Å; L450-A454 VanDerWaalsContact O-N 3.12Å; I451-A454 WeakPolarHBondContact O-CB 3.38Å; I451-A454 PolarHBondContact O-N 3.14Å; H452-A454 PolarHBondContact O-N 3.19Å; A454-K493 HydrophobicContact CB-CD 4.23Å; A454-K493 HydrophobicContact CB-CG 4.4Å; A454-L494 HydrophobicContact CB-CD2 3.61Å; A454-L494 HydrophobicContact CB-CG 3.95Å |
| 455 | G | 65.4 | Low | 70.4 | Confident | 49 Ų | 49 | 50.2 Ų | 50.2 | 51% | 0.505 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -29.6 | -173 | 0 | 0 | 0 | 0 | 0 | 117.4 | H452 A453 | H452-G455 PolarHBondContact O-N 3.34Å; A453-G455 PolarHBondContact O-N 3.15Å |
| 456 | K | 62.7 | Low | 69.5 | Low | 100 Ų | 100 | 53.8 Ų | 53.8 | 44% | 0.435 | 30% | 0.3 | S | S | . | . | trans | -120 | 112.6 | -177.9 | -76.7 | -172 | -179.1 | 178.8 | 0 | 112.1 | S415 D416 K458 R459 A460 | S415-K456 WeakPolarHBondContact OG-CE 3.46Å; S415-K456 PolarHBondContact OG-NZ 3.22Å; D416-K456 IonicContact OD1-NZ 3.62Å; D416-K456 PolarHBondContact OD1-NZ 3.29Å; D416-K456 IonicContact OD2-NZ 3.24Å; K456-K458 VanDerWaalsContact C-N 3.31Å; K456-K458 PolarHBondContact O-N 2.97Å; K456-R459 PolarHBondContact O-N 2.8Å; K456-A460 WeakPolarHBondContact O-CB 3.24Å; K456-A460 PolarHBondContact O-N 3.37Å | ||
| 457 | A | 51.7 | Low | 68.7 | Low | 86 Ų | 86 | 54 Ų | 54 | 71% | 0.711 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -30.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 458 | K | 54.2 | Low | 68 | Low | 208 Ų | 208 | 55.6 Ų | 55.6 | 90% | 0.904 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -23 | -173.7 | -78.1 | -176.1 | 177.8 | 177.7 | 0 | 115.2 | K456 | K456-K458 VanDerWaalsContact C-N 3.31Å; K456-K458 PolarHBondContact O-N 2.97Å |
| 459 | R | 55.6 | Low | 67.6 | Low | 153 Ų | 153 | 57.3 Ų | 57.3 | 58% | 0.577 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.2 | -5 | -179.2 | -67.9 | -172.7 | -176.1 | 175.5 | 2.2 | 113.8 | K456 S461 | K456-R459 PolarHBondContact O-N 2.8Å; R459-S461 VanDerWaalsContact C-N 3.27Å; R459-S461 PolarHBondContact O-N 3.16Å |
| 460 | A | 53.3 | Low | 67.3 | Low | 6 Ų | 6 | 59.5 Ų | 59.5 | 5% | 0.05 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -7.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | K456 F462 I463 T464 | K456-A460 WeakPolarHBondContact O-CB 3.24Å; K456-A460 PolarHBondContact O-N 3.37Å; A460-F462 VanDerWaalsContact C-N 3.27Å; A460-F462 PolarHBondContact O-N 3.06Å; A460-F462 VanDerWaalsContact O-N 3.11Å; A460-I463 CarbonylContact O-C 3.13Å; A460-I463 WeakPolarHBondContact O-CA 3.39Å; A460-I463 WeakPolarHBondContact O-CB 3.4Å; A460-I463 PolarHBondContact O-N 2.92Å; A460-T464 PolarHBondContact O-N 3.08Å; A460-T464 PolarHBondContact O-OG1 3.41Å |
| 461 | S | 56.4 | Low | 67.2 | Low | 89 Ų | 89 | 59.3 Ų | 59.3 | 62% | 0.622 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -53.2 | -38.5 | -171.7 | 56.9 | 0 | 0 | 0 | 0 | 114.6 | R459 A465 | R459-S461 VanDerWaalsContact C-N 3.27Å; R459-S461 PolarHBondContact O-N 3.16Å; S461-A465 PolarHBondContact O-N 2.94Å |
| 462 | F | 57.9 | Low | 67.2 | Low | 139 Ų | 139 | 64.4 Ų | 64.4 | 61% | 0.61 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -71.4 | -33.8 | 176.4 | -172.5 | -103.3 | 0 | 0 | 0 | 112.8 | A460 | A460-F462 VanDerWaalsContact C-N 3.27Å; A460-F462 PolarHBondContact O-N 3.06Å; A460-F462 VanDerWaalsContact O-N 3.11Å |
| 463 | I | 61.5 | Low | 67.1 | Low | 17 Ų | 17 | 67 Ų | 67 | 9% | 0.087 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -76.3 | -36.8 | 176 | -57.4 | 179.6 | 0 | 0 | 0 | 110.5 | L422 M428 L450 A453 A460 A465 N466 G467 | L422-I463 HydrophobicContact CD2-CD1 3.63Å; M428-I463 HydrophobicContact CE-CG1 4.02Å; L450-I463 HydrophobicContact CD2-CG2 4.29Å; A453-I463 HydrophobicContact CB-CD1 3.56Å; A460-I463 CarbonylContact O-C 3.13Å; A460-I463 WeakPolarHBondContact O-CA 3.39Å; A460-I463 WeakPolarHBondContact O-CB 3.4Å; A460-I463 PolarHBondContact O-N 2.92Å; I463-A465 VanDerWaalsContact C-N 3.28Å; I463-A465 PolarHBondContact O-N 3.07Å; I463-N466 PolarHBondContact O-N 3.23Å; I463-G467 VanDerWaalsContact O-CA 3.23Å; I463-G467 WeakPolarHBondContact O-CA 3.49Å; I463-G467 PolarHBondContact O-N 2.63Å |
| 464 | T | 59.3 | Low | 67.3 | Low | 59 Ų | 59 | 67.6 Ų | 67.6 | 36% | 0.362 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.4 | -33.8 | 177.2 | -39.5 | 0 | 0 | 0 | 0 | 111.6 | A460 V468 L494 | A460-T464 PolarHBondContact O-N 3.08Å; A460-T464 PolarHBondContact O-OG1 3.41Å; T464-V468 HydrophobicContact CG2-CG2 4.09Å; T464-V468 WeakPolarHBondContact O-CG2 3.36Å; T464-L494 HydrophobicContact CG2-CD2 4.36Å |
| 465 | A | 63.2 | Low | 67.8 | Low | 70 Ų | 70 | 69.3 Ų | 69.3 | 58% | 0.579 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -67.6 | -44.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | S461 I463 | S461-A465 PolarHBondContact O-N 2.94Å; I463-A465 VanDerWaalsContact C-N 3.28Å; I463-A465 PolarHBondContact O-N 3.07Å |
| 466 | N | 67.2 | Low | 68.7 | Low | 81 Ų | 81 | 74.9 Ų | 74.9 | 43% | 0.433 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -101.6 | -33.5 | -174.7 | -67.4 | -27.1 | 0 | 0 | 0 | 113.5 | I463 L470 | I463-N466 PolarHBondContact O-N 3.23Å; N466-L470 PolarHBondContact O-N 2.87Å |
| 467 | G | 69.3 | Low | 69.5 | Low | 4 Ų | 4 | 77.4 Ų | 77.4 | 4% | 0.041 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -72.2 | -32.7 | -176 | 0 | 0 | 0 | 0 | 0 | 114.2 | I463 A469 L470 L471 | I463-G467 VanDerWaalsContact O-CA 3.23Å; I463-G467 WeakPolarHBondContact O-CA 3.49Å; I463-G467 PolarHBondContact O-N 2.63Å; G467-A469 PolarHBondContact O-N 3.12Å; G467-L470 PolarHBondContact O-N 3.26Å; G467-L471 WeakPolarHBondContact O-CB 3.35Å; G467-L471 VanDerWaalsContact O-CG 3.25Å; G467-L471 WeakPolarHBondContact O-CG 3.48Å; G467-L471 PolarHBondContact O-N 2.9Å |
| 468 | V | 74 | Confident | 70.8 | Confident | 35 Ų | 35 | 74.3 Ų | 74.3 | 21% | 0.212 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 178.5 | 173.6 | 0 | 0 | 0 | 0 | 111.6 | T464 K472 L491 L494 | T464-V468 HydrophobicContact CG2-CG2 4.09Å; T464-V468 WeakPolarHBondContact O-CG2 3.36Å; V468-K472 HydrophobicContact CG1-CD 4.12Å; V468-K472 WeakPolarHBondContact O-CB 3.4Å; V468-K472 VanDerWaalsContact O-CG 3.28Å; V468-K472 WeakPolarHBondContact O-CG 3.43Å; V468-K472 PolarHBondContact O-N 3.48Å; V468-L491 HydrophobicContact CG1-CD2 4.32Å; V468-L494 HydrophobicContact CG2-CD1 3.68Å |
| 469 | A | 76.8 | Confident | 72 | Confident | 58 Ų | 58 | 73.4 Ų | 73.4 | 48% | 0.479 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.7 | -45 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111 | G467 K472 D473 | G467-A469 PolarHBondContact O-N 3.12Å; A469-K472 PolarHBondContact O-N 3.04Å; A469-D473 WeakPolarHBondContact O-CB 3.43Å; A469-D473 PolarHBondContact O-N 3.43Å |
| 470 | L | 78.8 | Confident | 73.3 | Confident | 49 Ų | 49 | 68.8 Ų | 68.8 | 26% | 0.257 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.8 | -46.5 | 177.6 | -71.3 | 166.1 | 0 | 0 | 0 | 112.5 | I432 N466 G467 K472 D473 L474 | I432-L470 HydrophobicContact CB-CD1 4.49Å; I432-L470 HydrophobicContact CG1-CD1 3.93Å; I432-L470 HydrophobicContact CG2-CD1 4.08Å; N466-L470 PolarHBondContact O-N 2.87Å; G467-L470 PolarHBondContact O-N 3.26Å; L470-K472 VanDerWaalsContact C-N 3.33Å; L470-K472 PolarHBondContact O-N 2.89Å; L470-D473 PolarHBondContact O-N 2.86Å; L470-L474 WeakPolarHBondContact O-CG 3.49Å; L470-L474 PolarHBondContact O-N 3.15Å |
| 471 | L | 82.1 | Confident | 74.7 | Confident | 3 Ų | 3 | 70.6 Ų | 70.6 | 2% | 0.016 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.6 | -37.2 | 177.9 | -68.6 | 170.1 | 0 | 0 | 0 | 111.9 | V447 G467 Y475 A487 L491 L494 | V447-L471 HydrophobicContact CG1-CD2 4.15Å; G467-L471 WeakPolarHBondContact O-CB 3.35Å; G467-L471 VanDerWaalsContact O-CG 3.25Å; G467-L471 WeakPolarHBondContact O-CG 3.48Å; G467-L471 PolarHBondContact O-N 2.9Å; L471-Y475 VanDerWaalsContact O-CB 3.3Å; L471-Y475 WeakPolarHBondContact O-CB 3.33Å; L471-Y475 PolarHBondContact O-N 2.62Å; L471-A487 HydrophobicContact CD2-CB 4.37Å; L471-L491 HydrophobicContact CB-CD2 3.8Å; L471-L491 HydrophobicContact CB-CG 3.96Å; L471-L494 HydrophobicContact CD1-CD1 3.99Å |
| 472 | K | 82.3 | Confident | 75.9 | Confident | 108 Ų | 108 | 71.2 Ų | 71.2 | 47% | 0.47 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64 | -41.3 | 173.1 | -78.8 | 175.8 | -178.4 | 174.5 | 0 | 111.9 | V468 A469 L470 K476 L491 | V468-K472 HydrophobicContact CG1-CD 4.12Å; V468-K472 WeakPolarHBondContact O-CB 3.4Å; V468-K472 VanDerWaalsContact O-CG 3.28Å; V468-K472 WeakPolarHBondContact O-CG 3.43Å; V468-K472 PolarHBondContact O-N 3.48Å; A469-K472 PolarHBondContact O-N 3.04Å; L470-K472 VanDerWaalsContact C-N 3.33Å; L470-K472 PolarHBondContact O-N 2.89Å; K472-K476 WeakPolarHBondContact O-CG 3.2Å; K472-K476 PolarHBondContact O-N 3.18Å; K472-K476 VanDerWaalsContact O-N 3.16Å; K472-L491 HydrophobicContact CG-CD1 4.2Å; K472-L491 HydrophobicContact CG-CD2 3.86Å |
| 473 | D | 82.8 | Confident | 77.2 | Confident | 73 Ų | 73 | 64.6 Ų | 64.6 | 39% | 0.39 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.4 | -46.1 | 177.8 | -93 | 20.3 | 0 | 0 | 0 | 111.4 | A469 L470 Y475 K476 K477 | A469-D473 WeakPolarHBondContact O-CB 3.43Å; A469-D473 PolarHBondContact O-N 3.43Å; L470-D473 PolarHBondContact O-N 2.86Å; D473-Y475 VanDerWaalsContact C-N 3.34Å; D473-Y475 PolarHBondContact O-N 3.38Å; D473-K476 PolarHBondContact O-N 3.33Å; D473-K477 HydrophobicContact CB-CD 4.41Å; D473-K477 VanDerWaalsContact O-CB 3.27Å; D473-K477 WeakPolarHBondContact O-CB 3.24Å; D473-K477 WeakPolarHBondContact O-CG 3.31Å; D473-K477 PolarHBondContact O-N 3.15Å; D473-K477 IonicContact OD2-NZ 2.66Å; D473-K477 PolarHBondContact OD2-NZ 3.5Å |
| 474 | L | 84 | Confident | 78.4 | Confident | 19 Ų | 19 | 66.9 Ų | 66.9 | 10% | 0.099 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.9 | -41.7 | 175.5 | -73 | 172.2 | 0 | 0 | 0 | 112.2 | C435 V447 L470 K476 S478 A487 | C435-L474 HydrophobicContact CB-CD1 4.29Å; V447-L474 HydrophobicContact CG2-CD1 3.55Å; L470-L474 WeakPolarHBondContact O-CG 3.49Å; L470-L474 PolarHBondContact O-N 3.15Å; L474-K476 VanDerWaalsContact C-N 3.31Å; L474-K476 PolarHBondContact O-N 3.21Å; L474-S478 WeakPolarHBondContact O-CB 3.34Å; L474-S478 PolarHBondContact O-N 2.92Å; L474-S478 VanDerWaalsContact O-N 3.09Å; L474-A487 HydrophobicContact CB-CB 4.2Å |
| 475 | Y | 84.9 | Confident | 79.7 | Confident | 50 Ų | 50 | 64.1 Ų | 64.1 | 20% | 0.196 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.6 | -35.2 | 177.6 | 178.3 | -101.5 | 0 | 0 | 0 | 113.3 | L471 D473 R484 L488 W522 | L471-Y475 VanDerWaalsContact O-CB 3.3Å; L471-Y475 WeakPolarHBondContact O-CB 3.33Å; L471-Y475 PolarHBondContact O-N 2.62Å; D473-Y475 VanDerWaalsContact C-N 3.34Å; D473-Y475 PolarHBondContact O-N 3.38Å; Y475-R484 HydrophobicContact CD2-CB 4.46Å; Y475-L488 HydrophobicContact CD2-CB 4.06Å; Y475-L488 HydrophobicContact CE2-CB 4.01Å; Y475-L488 HydrophobicContact CE2-CD1 4.27Å; Y475-L488 HydrophobicContact CE2-CD2 4.44Å; Y475-L488 HydrophobicContact CE2-CG 4.47Å; Y475-W522 AromaticContact CE2-CH2 3.92Å; Y475-W522 HydrophobicContact CE2-CH2 3.92Å |
| 476 | K | 84.1 | Confident | 80.8 | Confident | 165 Ų | 165 | 61.1 Ų | 61.1 | 72% | 0.717 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -87.6 | -37.6 | -177.5 | -72.5 | 179.4 | -179.9 | -178.8 | 0 | 113.9 | K472 D473 L474 | K472-K476 WeakPolarHBondContact O-CG 3.2Å; K472-K476 PolarHBondContact O-N 3.18Å; K472-K476 VanDerWaalsContact O-N 3.16Å; D473-K476 PolarHBondContact O-N 3.33Å; L474-K476 VanDerWaalsContact C-N 3.31Å; L474-K476 PolarHBondContact O-N 3.21Å |
| 477 | K | 80.4 | Confident | 81.8 | Confident | 153 Ų | 153 | 57.2 Ų | 57.2 | 67% | 0.665 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -95.1 | -25.3 | -171.3 | -65.9 | 173.3 | 177.4 | 166.7 | 0 | 113.3 | D473 | D473-K477 HydrophobicContact CB-CD 4.41Å; D473-K477 VanDerWaalsContact O-CB 3.27Å; D473-K477 WeakPolarHBondContact O-CB 3.24Å; D473-K477 WeakPolarHBondContact O-CG 3.31Å; D473-K477 PolarHBondContact O-N 3.15Å; D473-K477 IonicContact OD2-NZ 2.66Å; D473-K477 PolarHBondContact OD2-NZ 3.5Å |
| 478 | S | 79.8 | Confident | 82.5 | Confident | 22 Ų | 22 | 57.1 Ų | 57.1 | 15% | 0.154 | 27% | 0.273 | C | S | . | . | trans | -74.6 | 131.6 | -179.9 | -169.1 | 0 | 0 | 0 | 0 | 110.7 | L474 N480 R484 | L474-S478 WeakPolarHBondContact O-CB 3.34Å; L474-S478 PolarHBondContact O-N 2.92Å; L474-S478 VanDerWaalsContact O-N 3.09Å; S478-N480 PolarHBondContact OG-N 3.49Å; S478-R484 VanDerWaalsContact O-CD 3.26Å; S478-R484 WeakPolarHBondContact O-CD 3.5Å | ||
| 479 | E | 77.5 | Confident | 83 | Confident | 189 Ų | 189 | 55.5 Ų | 55.5 | 88% | 0.883 | 26% | 0.264 | S | S | * | . | trans | -84.1 | -15.2 | 172.7 | -62.4 | -172.9 | 166.3 | 0 | 0 | 112.1 | ||||
| 480 | N | 83 | Confident | 83.1 | Confident | 55 Ų | 55 | 52.8 Ų | 52.8 | 29% | 0.294 | 24% | 0.241 | S | C | . | . | trans | -89.4 | 114.7 | -176.1 | -168.5 | -22.7 | 0 | 0 | 0 | 111.7 | S478 R482 I483 R484 | S478-N480 PolarHBondContact OG-N 3.49Å; N480-R482 PolarHBondContact O-N 3.49Å; N480-R482 VanDerWaalsContact O-N 3.11Å; N480-R482 WeakPolarHBondContact OD1-CB 3.21Å; N480-R482 WeakPolarHBondContact OD1-CG 3.43Å; N480-R482 PolarHBondContact OD1-N 3.01Å; N480-I483 PolarHBondContact O-N 3.29Å; N480-I483 VanDerWaalsContact O-N 3.11Å; N480-R484 WeakPolarHBondContact O-CG 3.37Å; N480-R484 PolarHBondContact O-N 3.1Å; N480-R484 VanDerWaalsContact O-N 3.16Å | ||
| 481 | D | 83.2 | Confident | 83.1 | Confident | 45 Ų | 45 | 51.5 Ų | 51.5 | 24% | 0.241 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.4 | -27.5 | 179.5 | -79.2 | -12.1 | 0 | 0 | 0 | 113.5 | I483 R484 V485 W522 L528 | D481-I483 VanDerWaalsContact C-N 3.32Å; D481-I483 PolarHBondContact O-N 3.49Å; D481-R484 PolarHBondContact O-N 3.34Å; D481-R484 IonicContact OD1-CZ 3.39Å; D481-R484 IonicContact OD1-NH1 2.96Å; D481-R484 PolarHBondContact OD1-NH1 2.93Å; D481-V485 WeakPolarHBondContact O-CG2 3.47Å; D481-V485 PolarHBondContact O-N 3.47Å; D481-W522 PolarHBondContact OD2-NE1 3.29Å; D481-L528 HydrophobicContact CB-CD2 4.09Å |
| 482 | R | 82.6 | Confident | 83.1 | Confident | 101 Ų | 101 | 51.4 Ų | 51.4 | 38% | 0.381 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.5 | -36.6 | 177.5 | -63 | -175.6 | -179.7 | -178.6 | 0 | 113.2 | N480 R486 | N480-R482 PolarHBondContact O-N 3.49Å; N480-R482 VanDerWaalsContact O-N 3.11Å; N480-R482 WeakPolarHBondContact OD1-CB 3.21Å; N480-R482 WeakPolarHBondContact OD1-CG 3.43Å; N480-R482 PolarHBondContact OD1-N 3.01Å; R482-R486 PolarHBondContact O-NH1 3.34Å |
| 483 | I | 85.1 | Confident | 82.9 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -84.3 | -39.6 | 179.2 | -59.4 | -58.3 | 0 | 0 | 0 | 110 | V440 Q443 Q444 N480 D481 V485 R486 A487 | V440-I483 HydrophobicContact CG1-CD1 4.14Å; V440-I483 HydrophobicContact CG1-CG1 4.19Å; Q443-I483 HydrophobicContact CB-CD1 3.94Å; Q443-I483 HydrophobicContact CB-CG1 4.42Å; Q444-I483 HydrophobicContact CB-CD1 4.05Å; N480-I483 PolarHBondContact O-N 3.29Å; N480-I483 VanDerWaalsContact O-N 3.11Å; D481-I483 VanDerWaalsContact C-N 3.32Å; D481-I483 PolarHBondContact O-N 3.49Å; I483-V485 PolarHBondContact O-N 3.35Å; I483-R486 PolarHBondContact O-N 3.4Å; I483-A487 WeakPolarHBondContact O-CB 3.48Å; I483-A487 PolarHBondContact O-N 3.02Å |
| 484 | R | 86.9 | Confident | 82.4 | Confident | 65 Ų | 65 | 45.5 Ų | 45.5 | 25% | 0.245 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.2 | -42.7 | 178.2 | -65 | 174.3 | 71.8 | -165.5 | 7.1 | 112.7 | Y475 S478 N480 D481 A487 L488 W522 | Y475-R484 HydrophobicContact CD2-CB 4.46Å; S478-R484 VanDerWaalsContact O-CD 3.26Å; S478-R484 WeakPolarHBondContact O-CD 3.5Å; N480-R484 WeakPolarHBondContact O-CG 3.37Å; N480-R484 PolarHBondContact O-N 3.1Å; N480-R484 VanDerWaalsContact O-N 3.16Å; D481-R484 PolarHBondContact O-N 3.34Å; D481-R484 IonicContact OD1-CZ 3.39Å; D481-R484 IonicContact OD1-NH1 2.96Å; D481-R484 PolarHBondContact OD1-NH1 2.93Å; R484-A487 PolarHBondContact O-N 3.46Å; R484-L488 WeakPolarHBondContact O-CB 3.29Å; R484-L488 PolarHBondContact O-N 3.19Å; R484-W522 HydrophobicContact CB-CH2 4.02Å; R484-W522 HydrophobicContact CB-CZ2 4.12Å |
| 485 | V | 86.2 | Confident | 81.7 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.4 | -48 | 177.2 | 178.7 | 0 | 0 | 0 | 0 | 110.2 | D481 I483 L488 V489 W522 W535 S536 | D481-V485 WeakPolarHBondContact O-CG2 3.47Å; D481-V485 PolarHBondContact O-N 3.47Å; I483-V485 PolarHBondContact O-N 3.35Å; V485-L488 WeakPolarHBondContact O-CB 3.44Å; V485-L488 PolarHBondContact O-N 3.09Å; V485-V489 WeakPolarHBondContact O-CG2 3.19Å; V485-V489 PolarHBondContact O-N 3.01Å; V485-V489 VanDerWaalsContact O-N 3.07Å; V485-W522 HydrophobicContact CB-CE3 4.23Å; V485-W522 HydrophobicContact CB-CZ3 4.26Å; V485-W522 HydrophobicContact CG1-CE3 4.4Å; V485-W522 HydrophobicContact CG2-CB 4.3Å; V485-W522 HydrophobicContact CG2-CD2 3.48Å; V485-W522 VanDerWaalsContact CG2-CD2 3.48Å; V485-W522 HydrophobicContact CG2-CE3 3.41Å; V485-W522 VanDerWaalsContact CG2-CE3 3.41Å; V485-W522 HydrophobicContact CG2-CG 3.91Å; V485-W522 HydrophobicContact CG2-CH2 4.17Å; V485-W522 HydrophobicContact CG2-CZ2 4.26Å; V485-W522 HydrophobicContact CG2-CZ3 3.76Å; V485-W535 HydrophobicContact CG1-CB 3.54Å; V485-S536 WeakPolarHBondContact CG1-OG 3.12Å |
| 486 | R | 86.8 | Confident | 80.9 | Confident | 7 Ų | 7 | 44.2 Ų | 44.2 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.2 | -45.7 | 178.4 | -71.8 | 172.7 | 171 | 77.4 | -3.6 | 112.3 | Q444 V447 E448 I451 R482 I483 L488 V489 G490 W535 | Q444-R486 VanDerWaalsContact NE2-NH2 3.16Å; V447-R486 HydrophobicContact CG1-CB 3.68Å; E448-R486 IonicContact OE1-CZ 3.78Å; E448-R486 IonicContact OE1-NE 2.85Å; E448-R486 PolarHBondContact OE1-NE 3.23Å; E448-R486 IonicContact OE1-NH2 3.38Å; E448-R486 PolarHBondContact OE1-NH2 3.17Å; I451-R486 HydrophobicContact CD1-CB 4.05Å; I451-R486 VanDerWaalsContact CD1-O 3.23Å; I451-R486 WeakPolarHBondContact CD1-O 3.39Å; R482-R486 PolarHBondContact O-NH1 3.34Å; I483-R486 PolarHBondContact O-N 3.4Å; R486-L488 VanDerWaalsContact C-N 3.25Å; R486-L488 PolarHBondContact O-N 3.28Å; R486-V489 PolarHBondContact O-N 2.96Å; R486-V489 VanDerWaalsContact O-N 3.11Å; R486-G490 PolarHBondContact O-N 3.02Å; R486-G490 VanDerWaalsContact O-N 3.07Å; R486-W535 HydrophobicContact CG-CD2 3.97Å; R486-W535 HydrophobicContact CG-CG 3.9Å |
| 487 | A | 86.2 | Confident | 79.8 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.9 | -39.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L471 L474 I483 R484 G490 L491 | L471-A487 HydrophobicContact CD2-CB 4.37Å; L474-A487 HydrophobicContact CB-CB 4.2Å; I483-A487 WeakPolarHBondContact O-CB 3.48Å; I483-A487 PolarHBondContact O-N 3.02Å; R484-A487 PolarHBondContact O-N 3.46Å; A487-G490 PolarHBondContact O-N 3.36Å; A487-L491 WeakPolarHBondContact O-CG 3.38Å; A487-L491 PolarHBondContact O-N 2.94Å; A487-L491 VanDerWaalsContact O-N 3.13Å |
| 488 | L | 85.9 | Confident | 78.5 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.2 | -44.6 | 174.5 | 179.3 | 61.4 | 0 | 0 | 0 | 112.1 | Y475 R484 V485 R486 G490 L491 C492 L515 C519 W522 | Y475-L488 HydrophobicContact CD2-CB 4.06Å; Y475-L488 HydrophobicContact CE2-CB 4.01Å; Y475-L488 HydrophobicContact CE2-CD1 4.27Å; Y475-L488 HydrophobicContact CE2-CD2 4.44Å; Y475-L488 HydrophobicContact CE2-CG 4.47Å; R484-L488 WeakPolarHBondContact O-CB 3.29Å; R484-L488 PolarHBondContact O-N 3.19Å; V485-L488 WeakPolarHBondContact O-CB 3.44Å; V485-L488 PolarHBondContact O-N 3.09Å; R486-L488 VanDerWaalsContact C-N 3.25Å; R486-L488 PolarHBondContact O-N 3.28Å; L488-G490 VanDerWaalsContact C-N 3.32Å; L488-G490 PolarHBondContact O-N 2.93Å; L488-L491 WeakPolarHBondContact O-CB 3.29Å; L488-L491 PolarHBondContact O-N 2.99Å; L488-L491 VanDerWaalsContact O-N 3.11Å; L488-C492 PolarHBondContact O-N 3.47Å; L488-C492 PolarHBondContact O-SG 2.92Å; L488-L515 HydrophobicContact CD1-CB 4.32Å; L488-L515 HydrophobicContact CD1-CD1 4.07Å; L488-L515 HydrophobicContact CD1-CD2 3.67Å; L488-L515 HydrophobicContact CD1-CG 4.2Å; L488-C519 WeakPolarHBondContact CD2-SG 2.94Å; L488-W522 HydrophobicContact CB-CZ3 4.41Å; L488-W522 HydrophobicContact CD2-CE3 4.43Å; L488-W522 HydrophobicContact CD2-CH2 4.48Å; L488-W522 HydrophobicContact CD2-CZ3 3.63Å |
| 489 | V | 83.2 | Confident | 77.7 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.2 | -44.5 | 177.7 | 178.2 | 0 | 0 | 0 | 0 | 111.3 | I451 V485 R486 L491 C492 K493 W535 E538 | I451-V489 HydrophobicContact CG2-CG1 4.25Å; V485-V489 WeakPolarHBondContact O-CG2 3.19Å; V485-V489 PolarHBondContact O-N 3.01Å; V485-V489 VanDerWaalsContact O-N 3.07Å; R486-V489 PolarHBondContact O-N 2.96Å; R486-V489 VanDerWaalsContact O-N 3.11Å; V489-L491 VanDerWaalsContact C-N 3.27Å; V489-L491 PolarHBondContact O-N 2.71Å; V489-C492 PolarHBondContact O-N 2.93Å; V489-K493 WeakPolarHBondContact O-CB 3.46Å; V489-K493 PolarHBondContact O-N 3.09Å; V489-W535 HydrophobicContact CB-CE3 4.19Å; V489-W535 HydrophobicContact CG1-CE3 4.01Å; V489-W535 HydrophobicContact CG1-CZ3 4.27Å; V489-W535 HydrophobicContact CG2-CB 4.06Å; V489-W535 HydrophobicContact CG2-CE3 4.11Å; V489-W535 WeakPolarHBondContact CG2-O 3.43Å; V489-E538 HydrophobicContact CG1-CB 4.3Å; V489-E538 HydrophobicContact CG1-CG 3.98Å |
| 490 | G | 79.4 | Confident | 76.6 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.5 | -41.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R486 A487 L488 L494 | R486-G490 PolarHBondContact O-N 3.02Å; R486-G490 VanDerWaalsContact O-N 3.07Å; A487-G490 PolarHBondContact O-N 3.36Å; L488-G490 VanDerWaalsContact C-N 3.32Å; L488-G490 PolarHBondContact O-N 2.93Å; G490-L494 WeakPolarHBondContact O-CB 3.33Å; G490-L494 VanDerWaalsContact O-CG 3.28Å; G490-L494 WeakPolarHBondContact O-CG 3.45Å; G490-L494 PolarHBondContact O-N 3.48Å; G490-L494 VanDerWaalsContact O-N 3.09Å |
| 491 | L | 79.4 | Confident | 75.4 | Confident | 23 Ų | 23 | 28 Ų | 28 | 12% | 0.12 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.2 | -44.6 | 174.8 | -66.5 | 171.2 | 0 | 0 | 0 | 112.3 | V468 L471 K472 A487 L488 V489 K493 L494 G495 | V468-L491 HydrophobicContact CG1-CD2 4.32Å; L471-L491 HydrophobicContact CB-CD2 3.8Å; L471-L491 HydrophobicContact CB-CG 3.96Å; K472-L491 HydrophobicContact CG-CD1 4.2Å; K472-L491 HydrophobicContact CG-CD2 3.86Å; A487-L491 WeakPolarHBondContact O-CG 3.38Å; A487-L491 PolarHBondContact O-N 2.94Å; A487-L491 VanDerWaalsContact O-N 3.13Å; L488-L491 WeakPolarHBondContact O-CB 3.29Å; L488-L491 PolarHBondContact O-N 2.99Å; L488-L491 VanDerWaalsContact O-N 3.11Å; V489-L491 VanDerWaalsContact C-N 3.27Å; V489-L491 PolarHBondContact O-N 2.71Å; L491-K493 PolarHBondContact O-N 3.4Å; L491-L494 PolarHBondContact O-N 2.73Å; L491-G495 PolarHBondContact O-N 3.02Å |
| 492 | C | 80.3 | Confident | 74.2 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.1 | -44 | 178.3 | -69.1 | 0 | 0 | 0 | 0 | 111.8 | L488 V489 G495 S496 L543 | L488-C492 PolarHBondContact O-N 3.47Å; L488-C492 PolarHBondContact O-SG 2.92Å; V489-C492 PolarHBondContact O-N 2.93Å; C492-G495 CarbonylContact O-C 3.57Å; C492-G495 PolarHBondContact O-N 3.23Å; C492-S496 PolarHBondContact O-N 3.3Å; C492-S496 PolarHBondContact O-OG 3.43Å; C492-L543 HydrophobicContact CB-CG 4.46Å |
| 493 | K | 78.6 | Confident | 72.8 | Confident | 30 Ų | 30 | 27.2 Ų | 27.2 | 13% | 0.13 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.4 | -44.1 | 179.4 | -173.3 | 172.2 | -178.8 | -177.8 | 0 | 112.1 | I451 A454 V489 L491 G495 S496 Y542 | I451-K493 HydrophobicContact CG2-CD 4.22Å; I451-K493 PolarHBondContact O-NZ 3.05Å; A454-K493 HydrophobicContact CB-CD 4.23Å; A454-K493 HydrophobicContact CB-CG 4.4Å; V489-K493 WeakPolarHBondContact O-CB 3.46Å; V489-K493 PolarHBondContact O-N 3.09Å; L491-K493 PolarHBondContact O-N 3.4Å; K493-G495 VanDerWaalsContact C-N 3.29Å; K493-G495 PolarHBondContact O-N 3.46Å; K493-S496 PolarHBondContact O-N 3.44Å; K493-S496 PolarHBondContact O-OG 3.12Å; K493-Y542 HydrophobicContact CB-CD2 4.09Å; K493-Y542 HydrophobicContact CB-CE1 4.45Å; K493-Y542 HydrophobicContact CB-CE2 3.92Å; K493-Y542 HydrophobicContact CB-CG 4.43Å; K493-Y542 HydrophobicContact CD-CE2 4.04Å; K493-Y542 WeakPolarHBondContact CE-OH 3.34Å; K493-Y542 HydrophobicContact CG-CE1 3.98Å; K493-Y542 HydrophobicContact CG-CE2 3.99Å |
| 494 | L | 73.7 | Confident | 71.4 | Confident | 26 Ų | 26 | 32 Ų | 32 | 14% | 0.136 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.3 | -33.7 | 175.3 | -71.8 | 170.3 | 0 | 0 | 0 | 112.3 | A454 T464 V468 L471 G490 L491 Q506 | A454-L494 HydrophobicContact CB-CD2 3.61Å; A454-L494 HydrophobicContact CB-CG 3.95Å; T464-L494 HydrophobicContact CG2-CD2 4.36Å; V468-L494 HydrophobicContact CG2-CD1 3.68Å; L471-L494 HydrophobicContact CD1-CD1 3.99Å; G490-L494 WeakPolarHBondContact O-CB 3.33Å; G490-L494 VanDerWaalsContact O-CG 3.28Å; G490-L494 WeakPolarHBondContact O-CG 3.45Å; G490-L494 PolarHBondContact O-N 3.48Å; G490-L494 VanDerWaalsContact O-N 3.09Å; L491-L494 PolarHBondContact O-N 2.73Å; L494-Q506 PolarHBondContact O-OE1 3.29Å; L494-Q506 VanDerWaalsContact O-OE1 3.06Å |
| 495 | G | 68.3 | Low | 70 | Confident | 13 Ų | 13 | 32.8 Ų | 32.8 | 13% | 0.134 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -82.9 | -6.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | L491 C492 K493 A497 Q506 | L491-G495 PolarHBondContact O-N 3.02Å; C492-G495 CarbonylContact O-C 3.57Å; C492-G495 PolarHBondContact O-N 3.23Å; K493-G495 VanDerWaalsContact C-N 3.29Å; K493-G495 PolarHBondContact O-N 3.46Å; G495-A497 VanDerWaalsContact C-N 3.34Å; G495-Q506 WeakPolarHBondContact O-CB 3.32Å; G495-Q506 PolarHBondContact O-OE1 3.22Å |
| 496 | S | 67.6 | Low | 68.6 | Low | 29 Ų | 29 | 37.6 Ų | 37.6 | 20% | 0.203 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | 5.1 | 174 | 62.7 | 0 | 0 | 0 | 0 | 113.7 | C492 K493 G498 G499 Y542 | C492-S496 PolarHBondContact O-N 3.3Å; C492-S496 PolarHBondContact O-OG 3.43Å; K493-S496 PolarHBondContact O-N 3.44Å; K493-S496 PolarHBondContact O-OG 3.12Å; S496-G498 PolarHBondContact O-N 3.49Å; S496-G499 PolarHBondContact O-N 3.28Å; S496-G499 VanDerWaalsContact O-N 3.17Å; S496-Y542 WeakPolarHBondContact OG-CD1 3.39Å |
| 497 | A | 60.7 | Low | 67.4 | Low | 69 Ų | 69 | 39.9 Ų | 39.9 | 57% | 0.57 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -5.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | G495 | G495-A497 VanDerWaalsContact C-N 3.34Š|
| 498 | G | 54.8 | Low | 66.1 | Low | 19 Ų | 19 | 43.6 Ų | 43.6 | 20% | 0.196 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -4.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | S496 Q506 | S496-G498 PolarHBondContact O-N 3.49Å; G498-Q506 VanDerWaalsContact N-NE2 3.17Å |
| 499 | G | 62.3 | Low | 64.6 | Low | 46 Ų | 46 | 52.1 Ų | 52.1 | 47% | 0.474 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | -150 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | S496 | S496-G499 PolarHBondContact O-N 3.28Å; S496-G499 VanDerWaalsContact O-N 3.17Å |
| 500 | T | 54.3 | Low | 63.6 | Low | 85 Ų | 85 | 54 Ų | 54 | 52% | 0.521 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -0.5 | -177.9 | 51.2 | 0 | 0 | 0 | 0 | 113.9 | F502 F545 Y589 | T500-F502 PolarHBondContact O-N 3.07Å; T500-F545 HydrophobicContact CG2-CD1 3.79Å; T500-F545 HydrophobicContact CG2-CE1 4.22Å; T500-Y589 HydrophobicContact CG2-CE2 4.26Å |
| 501 | D | 57.2 | Low | 63.4 | Low | 24 Ų | 24 | 55.8 Ų | 55.8 | 13% | 0.128 | 34% | 0.337 | C | S | . | . | trans | -73.7 | 113.2 | -176.8 | -171 | -9.6 | 0 | 0 | 0 | 110.3 | S503 M504 H608 | D501-S503 PolarHBondContact O-N 3.29Å; D501-S503 VanDerWaalsContact O-N 3.12Å; D501-S503 PolarHBondContact OD1-N 3.08Å; D501-S503 PolarHBondContact OD1-OG 2.82Å; D501-S503 PolarHBondContact OD2-OG 3.3Å; D501-M504 HydrophobicContact CB-CB 4.24Å; D501-M504 HydrophobicContact CB-CG 4.27Å; D501-M504 PolarHBondContact O-N 2.87Å; D501-H608 IonicContact OD1-NE2 3.83Å; D501-H608 IonicContact OD2-CD2 3.37Å; D501-H608 PolarHBondContact OD2-CD2 3.38Å; D501-H608 IonicContact OD2-CE1 3.2Å; D501-H608 IonicContact OD2-NE2 2.76Å; D501-H608 PolarHBondContact OD2-NE2 3.31Å | ||
| 502 | F | 58 | Low | 63.3 | Low | 77 Ų | 77 | 55.6 Ų | 55.6 | 34% | 0.338 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -56.9 | -30.2 | -176.9 | 177 | -103.5 | 0 | 0 | 0 | 113.1 | T500 K505 E611 H613 | T500-F502 PolarHBondContact O-N 3.07Å; F502-K505 VanDerWaalsContact CE2-NZ 3.28Å; F502-K505 WeakPolarHBondContact O-CG 3.39Å; F502-E611 WeakPolarHBondContact CB-O 3.39Å; F502-H613 AromaticContact CD2-CD2 3.56Å; F502-H613 AromaticContact CE2-CD2 3.36Å; F502-H613 WeakPolarHBondContact CE2-CD2 3.45Å; F502-H613 AromaticContact CE2-NE2 3.89Å |
| 503 | S | 54.9 | Low | 63.3 | Low | 54 Ų | 54 | 57.6 Ų | 57.6 | 38% | 0.378 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -82.2 | -15.9 | -177.6 | 66 | 0 | 0 | 0 | 0 | 113.9 | D501 H608 | D501-S503 PolarHBondContact O-N 3.29Å; D501-S503 VanDerWaalsContact O-N 3.12Å; D501-S503 PolarHBondContact OD1-N 3.08Å; D501-S503 PolarHBondContact OD1-OG 2.82Å; D501-S503 PolarHBondContact OD2-OG 3.3Å; S503-H608 WeakPolarHBondContact CB-CE1 3.48Å; S503-H608 PolarHBondContact OG-CE1 3.41Å; S503-H608 PolarHBondContact OG-NE2 3.37Å |
| 504 | M | 54.6 | Low | 63.6 | Low | 100 Ų | 100 | 63.7 Ų | 63.7 | 49% | 0.493 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -101.1 | 39.7 | 178.9 | -65 | -157.2 | -178 | 0 | 0 | 112.3 | D501 Q506 | D501-M504 HydrophobicContact CB-CB 4.24Å; D501-M504 HydrophobicContact CB-CG 4.27Å; D501-M504 PolarHBondContact O-N 2.87Å; M504-Q506 PolarHBondContact O-N 3.34Å; M504-Q506 VanDerWaalsContact O-N 3.15Å |
| 505 | K | 57.4 | Low | 64.1 | Low | 82 Ų | 82 | 64 Ų | 64 | 36% | 0.357 | 38% | 0.375 | S | S | . | . | trans | -62.8 | 115.8 | 174.8 | -76.1 | -178 | -174.6 | -164.3 | 0 | 110.7 | F502 F507 D546 | F502-K505 VanDerWaalsContact CE2-NZ 3.28Å; F502-K505 WeakPolarHBondContact O-CG 3.39Å; K505-F507 VanDerWaalsContact C-N 3.32Å; K505-D546 IonicContact NZ-OD2 2.85Å | ||
| 506 | Q | 56.6 | Low | 64.9 | Low | 101 Ų | 101 | 63.6 Ų | 63.6 | 47% | 0.472 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -80.2 | -15.6 | 175.9 | -58.5 | -169.1 | -23.2 | 0 | 0 | 113 | L494 G495 G498 M504 | L494-Q506 PolarHBondContact O-OE1 3.29Å; L494-Q506 VanDerWaalsContact O-OE1 3.06Å; G495-Q506 WeakPolarHBondContact O-CB 3.32Å; G495-Q506 PolarHBondContact O-OE1 3.22Å; G498-Q506 VanDerWaalsContact N-NE2 3.17Å; M504-Q506 PolarHBondContact O-N 3.34Å; M504-Q506 VanDerWaalsContact O-N 3.15Å |
| 507 | F | 61.8 | Low | 65.9 | Low | 55 Ų | 55 | 67.1 Ų | 67.1 | 24% | 0.241 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -107.2 | 144.3 | 177.6 | -67.2 | -67.7 | 0 | 0 | 0 | 111.1 | K505 T512 | K505-F507 VanDerWaalsContact C-N 3.32Å; F507-T512 HydrophobicContact CB-CG2 3.83Å; F507-T512 HydrophobicContact CD2-CG2 3.9Å; F507-T512 HydrophobicContact CG-CG2 4.18Å |
| 508 | A | 58.5 | Low | 67.2 | Low | 78 Ų | 78 | 66.1 Ų | 66.1 | 65% | 0.645 | 37% | 0.365 | S | S | * | . | trans | -59.7 | 145.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | G510 S511 | A508-G510 PolarHBondContact O-N 2.78Å; A508-S511 WeakPolarHBondContact O-CB 3.25Å; A508-S511 PolarHBondContact O-N 3.39Å; A508-S511 VanDerWaalsContact O-N 3.07Å; A508-S511 PolarHBondContact O-OG 3.44Å | ||
| 509 | E | 55 | Low | 68.8 | Low | 182 Ų | 182 | 65.2 Ų | 65.2 | 85% | 0.85 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | 130.5 | -177.1 | -155.1 | 172.5 | -169.3 | 0 | 0 | 112.1 | S511 | E509-S511 VanDerWaalsContact C-N 3.28Å; E509-S511 PolarHBondContact O-N 3.34Å |
| 510 | G | 63.3 | Low | 70.2 | Confident | 41 Ų | 41 | 64.4 Ų | 64.4 | 42% | 0.423 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | -6.5 | -179 | 0 | 0 | 0 | 0 | 0 | 116.5 | A508 | A508-G510 PolarHBondContact O-N 2.78Š|
| 511 | S | 74.1 | Confident | 71.9 | Confident | 36 Ų | 36 | 67.3 Ų | 67.3 | 25% | 0.252 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -75.5 | -35.4 | 175.2 | 66.4 | 0 | 0 | 0 | 0 | 112.8 | A508 E509 L513 K514 L515 | A508-S511 WeakPolarHBondContact O-CB 3.25Å; A508-S511 PolarHBondContact O-N 3.39Å; A508-S511 VanDerWaalsContact O-N 3.07Å; A508-S511 PolarHBondContact O-OG 3.44Å; E509-S511 VanDerWaalsContact C-N 3.28Å; E509-S511 PolarHBondContact O-N 3.34Å; S511-L513 VanDerWaalsContact C-N 3.32Å; S511-L513 PolarHBondContact O-N 2.67Å; S511-K514 PolarHBondContact O-N 3.38Å; S511-L515 WeakPolarHBondContact O-CG 3.47Å; S511-L515 PolarHBondContact O-N 2.88Å; S511-L515 VanDerWaalsContact O-N 3.09Å |
| 512 | T | 76.7 | Confident | 73.4 | Confident | 20 Ų | 20 | 66.4 Ų | 66.4 | 12% | 0.123 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -56.2 | -44.8 | 174.7 | 48.5 | 0 | 0 | 0 | 0 | 111.9 | F507 K514 L515 A516 D546 | F507-T512 HydrophobicContact CB-CG2 3.83Å; F507-T512 HydrophobicContact CD2-CG2 3.9Å; F507-T512 HydrophobicContact CG-CG2 4.18Å; T512-K514 VanDerWaalsContact C-N 3.34Å; T512-K514 PolarHBondContact O-N 3.3Å; T512-L515 PolarHBondContact O-N 3.1Å; T512-A516 WeakPolarHBondContact O-CB 3.35Å; T512-A516 PolarHBondContact O-N 3.49Å; T512-D546 PolarHBondContact OG1-OD2 3.39Å |
| 513 | L | 81.2 | Confident | 74.8 | Confident | 42 Ų | 42 | 62.8 Ų | 62.8 | 22% | 0.22 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.5 | -34.5 | 179.7 | -153.4 | 115.7 | 0 | 0 | 0 | 112.8 | S511 K517 D548 | S511-L513 VanDerWaalsContact C-N 3.32Å; S511-L513 PolarHBondContact O-N 2.67Å; L513-K517 HydrophobicContact CD2-CD 4.29Å; L513-K517 WeakPolarHBondContact O-CB 3.43Å; L513-K517 WeakPolarHBondContact O-CG 3.26Å; L513-K517 PolarHBondContact O-N 3.4Å; L513-D548 HydrophobicContact CD1-CB 3.96Å |
| 514 | K | 84.1 | Confident | 76.4 | Confident | 159 Ų | 159 | 62.8 Ų | 62.8 | 69% | 0.691 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -69 | -42.1 | 174.7 | -69.7 | 179 | -177.5 | 176.4 | 0 | 111.6 | S511 T512 K517 Q518 | S511-K514 PolarHBondContact O-N 3.38Å; T512-K514 VanDerWaalsContact C-N 3.34Å; T512-K514 PolarHBondContact O-N 3.3Å; K514-K517 PolarHBondContact O-N 2.88Å; K514-Q518 PolarHBondContact O-N 2.92Å; K514-Q518 VanDerWaalsContact O-N 3.14Å |
| 515 | L | 84.1 | Confident | 77.9 | Confident | 32 Ų | 32 | 60.4 Ų | 60.4 | 17% | 0.168 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.9 | -42.4 | 176.3 | -62.3 | -178.6 | 0 | 0 | 0 | 110.9 | L488 S511 T512 K517 Q518 C519 L543 | L488-L515 HydrophobicContact CD1-CB 4.32Å; L488-L515 HydrophobicContact CD1-CD1 4.07Å; L488-L515 HydrophobicContact CD1-CD2 3.67Å; L488-L515 HydrophobicContact CD1-CG 4.2Å; S511-L515 WeakPolarHBondContact O-CG 3.47Å; S511-L515 PolarHBondContact O-N 2.88Å; S511-L515 VanDerWaalsContact O-N 3.09Å; T512-L515 PolarHBondContact O-N 3.1Å; L515-K517 PolarHBondContact O-N 3.44Å; L515-Q518 WeakPolarHBondContact O-CB 3.11Å; L515-Q518 PolarHBondContact O-N 2.84Å; L515-Q518 VanDerWaalsContact O-N 3.15Å; L515-C519 PolarHBondContact O-N 3.24Å; L515-C519 PolarHBondContact O-SG 3.29Å; L515-L543 HydrophobicContact CB-CD1 4.06Å; L515-L543 HydrophobicContact CB-CD2 4.46Å |
| 516 | A | 85.8 | Confident | 78.9 | Confident | 4 Ų | 4 | 64.8 Ų | 64.8 | 3% | 0.033 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T512 Q518 C519 R520 L540 L543 V549 | T512-A516 WeakPolarHBondContact O-CB 3.35Å; T512-A516 PolarHBondContact O-N 3.49Å; A516-Q518 VanDerWaalsContact C-N 3.27Å; A516-Q518 PolarHBondContact O-N 3.44Å; A516-C519 PolarHBondContact O-N 3Å; A516-R520 WeakPolarHBondContact O-CG 3.18Å; A516-R520 PolarHBondContact O-N 2.87Å; A516-L540 HydrophobicContact CB-CD2 4.28Å; A516-L543 HydrophobicContact CB-CD1 4.13Å; A516-V549 HydrophobicContact CB-CG1 3.72Å; A516-V549 HydrophobicContact CB-CG2 4.15Å |
| 517 | K | 89.2 | Confident | 80 | Confident | 103 Ų | 103 | 64.7 Ų | 64.7 | 45% | 0.448 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -55.7 | -41.5 | 173.4 | -83.4 | 170.9 | -178.5 | -177.7 | 0 | 112.4 | L513 K514 L515 R520 K521 | L513-K517 HydrophobicContact CD2-CD 4.29Å; L513-K517 WeakPolarHBondContact O-CB 3.43Å; L513-K517 WeakPolarHBondContact O-CG 3.26Å; L513-K517 PolarHBondContact O-N 3.4Å; K514-K517 PolarHBondContact O-N 2.88Å; L515-K517 PolarHBondContact O-N 3.44Å; K517-R520 PolarHBondContact O-N 2.65Å; K517-K521 PolarHBondContact O-N 2.93Å; K517-K521 VanDerWaalsContact O-N 3.07Å |
| 518 | Q | 88.3 | Confident | 80.9 | Confident | 48 Ų | 48 | 62.8 Ų | 62.8 | 22% | 0.224 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.8 | -43.4 | 177.7 | -171 | 62.6 | 25.7 | 0 | 0 | 111.9 | K514 L515 A516 R520 K521 W522 | K514-Q518 PolarHBondContact O-N 2.92Å; K514-Q518 VanDerWaalsContact O-N 3.14Å; L515-Q518 WeakPolarHBondContact O-CB 3.11Å; L515-Q518 PolarHBondContact O-N 2.84Å; L515-Q518 VanDerWaalsContact O-N 3.15Å; A516-Q518 VanDerWaalsContact C-N 3.27Å; A516-Q518 PolarHBondContact O-N 3.44Å; Q518-R520 VanDerWaalsContact C-N 3.35Å; Q518-R520 PolarHBondContact O-N 3.28Å; Q518-K521 PolarHBondContact O-N 3.16Å; Q518-W522 HydrophobicContact CG-CD2 4.13Å; Q518-W522 HydrophobicContact CG-CE3 3.89Å; Q518-W522 HydrophobicContact CG-CH2 3.74Å; Q518-W522 HydrophobicContact CG-CZ2 3.95Å; Q518-W522 HydrophobicContact CG-CZ3 3.71Å; Q518-W522 VanDerWaalsContact NE2-CZ2 3.26Å; Q518-W522 PolarHBondContact O-N 2.68Å; Q518-W522 VanDerWaalsContact O-N 3.08Å |
| 519 | C | 88.7 | Confident | 81.9 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.007 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.1 | -43.2 | 174.2 | -67.6 | 0 | 0 | 0 | 0 | 112.1 | L488 L515 A516 K521 W522 L523 L540 | L488-C519 WeakPolarHBondContact CD2-SG 2.94Å; L515-C519 PolarHBondContact O-N 3.24Å; L515-C519 PolarHBondContact O-SG 3.29Å; A516-C519 PolarHBondContact O-N 3Å; C519-K521 VanDerWaalsContact C-N 3.35Å; C519-K521 PolarHBondContact O-N 3.49Å; C519-W522 PolarHBondContact O-N 3.09Å; C519-L523 WeakPolarHBondContact O-CB 3.38Å; C519-L523 PolarHBondContact O-N 3.33Å; C519-L540 HydrophobicContact CB-CD1 4.36Å; C519-L540 HydrophobicContact CB-CD2 3.84Å; C519-L540 HydrophobicContact CB-CG 3.79Å |
| 520 | R | 90.4 | Very high | 83 | Confident | 28 Ų | 28 | 54.2 Ų | 54.2 | 11% | 0.106 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 175.5 | -68.4 | -169.7 | -53.4 | -148 | -1.9 | 111.9 | A516 K517 Q518 W522 L523 C524 L540 D552 L553 D556 A559 | A516-R520 WeakPolarHBondContact O-CG 3.18Å; A516-R520 PolarHBondContact O-N 2.87Å; K517-R520 PolarHBondContact O-N 2.65Å; Q518-R520 VanDerWaalsContact C-N 3.35Å; Q518-R520 PolarHBondContact O-N 3.28Å; R520-W522 VanDerWaalsContact C-N 3.33Å; R520-W522 PolarHBondContact O-N 3.1Å; R520-L523 WeakPolarHBondContact O-CB 3.43Å; R520-L523 PolarHBondContact O-N 2.98Å; R520-C524 PolarHBondContact O-N 2.72Å; R520-C524 PolarHBondContact O-SG 3.34Å; R520-C524 VanDerWaalsContact O-SG 3.36Å; R520-L540 HydrophobicContact CG-CD2 4.49Å; R520-D552 IonicContact CZ-OD2 3.61Å; R520-D552 PolarHBondContact NH1-O 3.11Å; R520-D552 IonicContact NH1-OD2 2.74Å; R520-D552 PolarHBondContact NH1-OD2 3.24Å; R520-D552 IonicContact NH2-OD2 3.39Å; R520-D552 PolarHBondContact NH2-OD2 3.3Å; R520-L553 HydrophobicContact CG-CD1 4.2Å; R520-D556 IonicContact NE-OD2 2.66Å; R520-A559 HydrophobicContact CB-CB 4.35Å; R520-A559 HydrophobicContact CG-CB 4.08Å |
| 521 | K | 89.6 | Confident | 83.7 | Confident | 146 Ų | 146 | 53.9 Ų | 53.9 | 64% | 0.635 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -60.8 | -41.9 | 178.1 | -172.7 | 178.5 | 178.7 | -179.1 | 0 | 111.9 | K517 Q518 C519 N525 | K517-K521 PolarHBondContact O-N 2.93Å; K517-K521 VanDerWaalsContact O-N 3.07Å; Q518-K521 PolarHBondContact O-N 3.16Å; C519-K521 VanDerWaalsContact C-N 3.35Å; C519-K521 PolarHBondContact O-N 3.49Å; K521-N525 WeakPolarHBondContact O-CB 3.37Å; K521-N525 PolarHBondContact O-N 3.45Å |
| 522 | W | 89.2 | Confident | 84.2 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 2% | 0.023 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -71.4 | -35.6 | 175.9 | -71.9 | -40.4 | 0 | 0 | 0 | 113 | Y475 D481 R484 V485 L488 Q518 C519 R520 N525 L528 S536 | Y475-W522 AromaticContact CE2-CH2 3.92Å; Y475-W522 HydrophobicContact CE2-CH2 3.92Å; D481-W522 PolarHBondContact OD2-NE1 3.29Å; R484-W522 HydrophobicContact CB-CH2 4.02Å; R484-W522 HydrophobicContact CB-CZ2 4.12Å; V485-W522 HydrophobicContact CB-CE3 4.23Å; V485-W522 HydrophobicContact CB-CZ3 4.26Å; V485-W522 HydrophobicContact CG1-CE3 4.4Å; V485-W522 HydrophobicContact CG2-CB 4.3Å; V485-W522 HydrophobicContact CG2-CD2 3.48Å; V485-W522 VanDerWaalsContact CG2-CD2 3.48Å; V485-W522 HydrophobicContact CG2-CE3 3.41Å; V485-W522 VanDerWaalsContact CG2-CE3 3.41Å; V485-W522 HydrophobicContact CG2-CG 3.91Å; V485-W522 HydrophobicContact CG2-CH2 4.17Å; V485-W522 HydrophobicContact CG2-CZ2 4.26Å; V485-W522 HydrophobicContact CG2-CZ3 3.76Å; L488-W522 HydrophobicContact CB-CZ3 4.41Å; L488-W522 HydrophobicContact CD2-CE3 4.43Å; L488-W522 HydrophobicContact CD2-CH2 4.48Å; L488-W522 HydrophobicContact CD2-CZ3 3.63Å; Q518-W522 HydrophobicContact CG-CD2 4.13Å; Q518-W522 HydrophobicContact CG-CE3 3.89Å; Q518-W522 HydrophobicContact CG-CH2 3.74Å; Q518-W522 HydrophobicContact CG-CZ2 3.95Å; Q518-W522 HydrophobicContact CG-CZ3 3.71Å; Q518-W522 VanDerWaalsContact NE2-CZ2 3.26Å; Q518-W522 PolarHBondContact O-N 2.68Å; Q518-W522 VanDerWaalsContact O-N 3.08Å; C519-W522 PolarHBondContact O-N 3.09Å; R520-W522 VanDerWaalsContact C-N 3.33Å; R520-W522 PolarHBondContact O-N 3.1Å; W522-N525 WeakPolarHBondContact O-CB 3.38Å; W522-N525 PolarHBondContact O-N 2.84Å; W522-L528 HydrophobicContact CB-CD1 3.91Å; W522-L528 HydrophobicContact CG-CD1 4.08Å; W522-S536 WeakPolarHBondContact CB-OG 3.19Å |
| 523 | L | 87.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 175.3 | 178.2 | 60.9 | 0 | 0 | 0 | 112.2 | C519 R520 N525 R533 V537 L540 A559 A562 M563 L566 | C519-L523 WeakPolarHBondContact O-CB 3.38Å; C519-L523 PolarHBondContact O-N 3.33Å; R520-L523 WeakPolarHBondContact O-CB 3.43Å; R520-L523 PolarHBondContact O-N 2.98Å; L523-N525 PolarHBondContact O-N 3.22Å; L523-R533 HydrophobicContact CD1-CB 4.48Å; L523-R533 VanDerWaalsContact O-CD 3.27Å; L523-R533 WeakPolarHBondContact O-CD 3.42Å; L523-V537 HydrophobicContact CD1-CG2 3.67Å; L523-V537 HydrophobicContact CD2-CG2 4.42Å; L523-L540 HydrophobicContact CD2-CD1 4.14Å; L523-A559 HydrophobicContact CD2-CB 4.45Å; L523-A559 WeakPolarHBondContact CD2-O 3.44Å; L523-A562 HydrophobicContact CD1-CB 4.37Å; L523-A562 HydrophobicContact CG-CB 3.98Å; L523-M563 HydrophobicContact CD2-CB 4.18Å; L523-L566 HydrophobicContact CD1-CD1 3.4Å; L523-L566 VanDerWaalsContact CD1-CD1 3.4Å |
| 524 | C | 88.5 | Confident | 84.9 | Confident | 54 Ų | 54 | 52.6 Ų | 52.6 | 37% | 0.365 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -5.8 | 178 | -62.4 | 0 | 0 | 0 | 0 | 113.5 | R520 E526 | R520-C524 PolarHBondContact O-N 2.72Å; R520-C524 PolarHBondContact O-SG 3.34Å; R520-C524 VanDerWaalsContact O-SG 3.36Å; C524-E526 PolarHBondContact O-N 2.83Å |
| 525 | N | 87.2 | Confident | 85 | Confident | 51 Ų | 51 | 45.4 Ų | 45.4 | 27% | 0.273 | 23% | 0.233 | S | C | . | . | trans | -84.4 | 103.8 | -179 | -174.2 | 11.7 | 0 | 0 | 0 | 111 | K521 W522 L523 S527 L528 | K521-N525 WeakPolarHBondContact O-CB 3.37Å; K521-N525 PolarHBondContact O-N 3.45Å; W522-N525 WeakPolarHBondContact O-CB 3.38Å; W522-N525 PolarHBondContact O-N 2.84Å; L523-N525 PolarHBondContact O-N 3.22Å; N525-S527 VanDerWaalsContact CG-OG 3.28Å; N525-S527 PolarHBondContact ND2-OG 3.23Å; N525-S527 PolarHBondContact O-N 2.92Å; N525-S527 PolarHBondContact OD1-N 3.4Å; N525-S527 VanDerWaalsContact OD1-N 3.16Å; N525-S527 PolarHBondContact OD1-OG 2.92Å; N525-L528 HydrophobicContact CB-CD1 4.27Å; N525-L528 HydrophobicContact CB-CG 4.46Å; N525-L528 PolarHBondContact O-N 2.92Å | ||
| 526 | E | 78.1 | Confident | 85.2 | Confident | 174 Ų | 174 | 43.9 Ų | 43.9 | 81% | 0.813 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -19 | 178.8 | -63.6 | -174.3 | 170.2 | 0 | 0 | 113.8 | C524 L528 | C524-E526 PolarHBondContact O-N 2.83Å; E526-L528 PolarHBondContact O-N 3.48Å |
| 527 | S | 79.5 | Confident | 85.4 | Confident | 98 Ų | 98 | 43.7 Ų | 43.7 | 69% | 0.685 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73 | -16.2 | 176.5 | 74.3 | 0 | 0 | 0 | 0 | 113.4 | N525 | N525-S527 VanDerWaalsContact CG-OG 3.28Å; N525-S527 PolarHBondContact ND2-OG 3.23Å; N525-S527 PolarHBondContact O-N 2.92Å; N525-S527 PolarHBondContact OD1-N 3.4Å; N525-S527 VanDerWaalsContact OD1-N 3.16Å; N525-S527 PolarHBondContact OD1-OG 2.92Å |
| 528 | L | 80.6 | Confident | 85.3 | Confident | 15 Ų | 15 | 39.8 Ų | 39.8 | 8% | 0.079 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -85 | 135.2 | 174.9 | -72 | 173.7 | 0 | 0 | 0 | 111 | D481 W522 N525 E526 R533 | D481-L528 HydrophobicContact CB-CD2 4.09Å; W522-L528 HydrophobicContact CB-CD1 3.91Å; W522-L528 HydrophobicContact CG-CD1 4.08Å; N525-L528 HydrophobicContact CB-CD1 4.27Å; N525-L528 HydrophobicContact CB-CG 4.46Å; N525-L528 PolarHBondContact O-N 2.92Å; E526-L528 PolarHBondContact O-N 3.48Å; L528-R533 HydrophobicContact CB-CG 3.98Å; L528-R533 PolarHBondContact O-NE 3.24Å; L528-R533 VanDerWaalsContact O-NE 3.12Å |
| 529 | P | 78.7 | Confident | 85.2 | Confident | 34 Ų | 34 | 37.5 Ų | 37.5 | 22% | 0.221 | 20% | 0.196 | C | C | . | . | trans | -61.8 | 151.7 | 177.1 | 27.7 | -34.3 | 0 | 0 | 0 | 110.6 | T531 S532 R533 | P529-T531 PolarHBondContact O-N 3.47Å; P529-T531 VanDerWaalsContact O-N 3.16Å; P529-S532 PolarHBondContact O-N 2.88Å; P529-R533 PolarHBondContact O-N 3.47Å; P529-R533 VanDerWaalsContact O-N 3.1Å | ||
| 530 | P | 79.1 | Confident | 85.2 | Confident | 47 Ų | 47 | 37.5 Ų | 37.5 | 31% | 0.305 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -53.5 | -37.6 | -179 | 21.3 | -32.1 | 0 | 0 | 0 | 112.4 | S532 R533 R534 L566 | P530-S532 VanDerWaalsContact C-N 3.28Å; P530-S532 PolarHBondContact O-N 3.49Å; P530-R533 PolarHBondContact O-N 3.34Å; P530-R533 VanDerWaalsContact O-N 3.13Å; P530-R534 PolarHBondContact O-N 3.24Å; P530-L566 HydrophobicContact CB-CD2 4.04Å |
| 531 | T | 77.9 | Confident | 85.1 | Confident | 33 Ų | 33 | 36.4 Ų | 36.4 | 20% | 0.202 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56 | -36.6 | 174.2 | 51.7 | 0 | 0 | 0 | 0 | 114.5 | E354 P529 | E354-T531 HydrophobicContact CG-CG2 3.91Å; E354-T531 WeakPolarHBondContact OE1-CG2 3.3Å; E354-T531 WeakPolarHBondContact OE2-CG2 3.43Å; P529-T531 PolarHBondContact O-N 3.47Å; P529-T531 VanDerWaalsContact O-N 3.16Å |
| 532 | S | 83 | Confident | 84.9 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.007 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -83.7 | -32.9 | 178.8 | -62 | 0 | 0 | 0 | 0 | 111.2 | P529 P530 R534 W535 | P529-S532 PolarHBondContact O-N 2.88Å; P530-S532 VanDerWaalsContact C-N 3.28Å; P530-S532 PolarHBondContact O-N 3.49Å; S532-R534 VanDerWaalsContact C-N 3.32Å; S532-W535 PolarHBondContact O-N 3.13Å |
| 533 | R | 86.1 | Confident | 84.7 | Confident | 48 Ų | 48 | 31.8 Ų | 31.8 | 18% | 0.181 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.6 | -33.4 | 173 | -66.9 | -170.4 | -84.8 | 158.1 | -1.5 | 112.2 | L523 L528 P529 P530 W535 S536 V537 L566 | L523-R533 HydrophobicContact CD1-CB 4.48Å; L523-R533 VanDerWaalsContact O-CD 3.27Å; L523-R533 WeakPolarHBondContact O-CD 3.42Å; L528-R533 HydrophobicContact CB-CG 3.98Å; L528-R533 PolarHBondContact O-NE 3.24Å; L528-R533 VanDerWaalsContact O-NE 3.12Å; P529-R533 PolarHBondContact O-N 3.47Å; P529-R533 VanDerWaalsContact O-N 3.1Å; P530-R533 PolarHBondContact O-N 3.34Å; P530-R533 VanDerWaalsContact O-N 3.13Å; R533-W535 VanDerWaalsContact C-N 3.31Å; R533-W535 PolarHBondContact O-N 3.26Å; R533-S536 WeakPolarHBondContact O-CA 3.13Å; R533-S536 VanDerWaalsContact O-CB 3.25Å; R533-S536 WeakPolarHBondContact O-CB 3.49Å; R533-S536 PolarHBondContact O-N 2.86Å; R533-V537 PolarHBondContact O-N 3.21Å; R533-L566 HydrophobicContact CB-CD1 3.71Å; R533-L566 HydrophobicContact CB-CD2 4.26Å |
| 534 | R | 86.8 | Confident | 84.7 | Confident | 22 Ų | 22 | 31.8 Ų | 31.8 | 8% | 0.083 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -50.3 | -49.4 | 170.8 | 166.4 | 179.9 | 126.4 | 60.8 | 19.5 | 112 | P530 S532 S536 V537 E538 T573 V574 | P530-R534 PolarHBondContact O-N 3.24Å; S532-R534 VanDerWaalsContact C-N 3.32Å; R534-S536 PolarHBondContact O-N 3.21Å; R534-V537 WeakPolarHBondContact O-CA 3.43Å; R534-V537 WeakPolarHBondContact O-CB 3.37Å; R534-V537 PolarHBondContact O-N 3.44Å; R534-E538 IonicContact CZ-OE2 2.88Å; R534-E538 IonicContact NH1-OE2 3.22Å; R534-E538 PolarHBondContact NH1-OE2 2.94Å; R534-E538 IonicContact NH2-OE2 3.9Å; R534-E538 PolarHBondContact NH2-OE2 3.3Å; R534-E538 PolarHBondContact O-N 3.01Å; R534-T573 WeakPolarHBondContact CD-OG1 3.46Å; R534-T573 PolarHBondContact NE-OG1 2.9Å; R534-T573 VanDerWaalsContact NE-OG1 3.17Å; R534-T573 PolarHBondContact NH1-O 2.98Å; R534-V574 HydrophobicContact CB-CB 4.24Å; R534-V574 HydrophobicContact CB-CG2 4.1Å; R534-V574 HydrophobicContact CG-CB 3.93Å; R534-V574 HydrophobicContact CG-CG2 3.97Å |
| 535 | W | 86.8 | Confident | 84.3 | Confident | 8 Ų | 8 | 32.4 Ų | 32.4 | 3% | 0.03 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.5 | -30.2 | 179.8 | -70.4 | 106.4 | 0 | 0 | 0 | 112 | E448 I451 V485 R486 V489 S532 R533 V537 E538 G539 | E448-W535 HydrophobicContact CG-CH2 4.23Å; E448-W535 HydrophobicContact CG-CZ2 3.73Å; I451-W535 HydrophobicContact CD1-CE3 4.3Å; I451-W535 HydrophobicContact CD1-CH2 4.13Å; I451-W535 HydrophobicContact CD1-CZ3 3.83Å; I451-W535 HydrophobicContact CG2-CH2 4.47Å; I451-W535 HydrophobicContact CG2-CZ3 3.95Å; V485-W535 HydrophobicContact CG1-CB 3.54Å; R486-W535 HydrophobicContact CG-CD2 3.97Å; R486-W535 HydrophobicContact CG-CG 3.9Å; V489-W535 HydrophobicContact CB-CE3 4.19Å; V489-W535 HydrophobicContact CG1-CE3 4.01Å; V489-W535 HydrophobicContact CG1-CZ3 4.27Å; V489-W535 HydrophobicContact CG2-CB 4.06Å; V489-W535 HydrophobicContact CG2-CE3 4.11Å; V489-W535 WeakPolarHBondContact CG2-O 3.43Å; S532-W535 PolarHBondContact O-N 3.13Å; R533-W535 VanDerWaalsContact C-N 3.31Å; R533-W535 PolarHBondContact O-N 3.26Å; W535-V537 VanDerWaalsContact C-N 3.33Å; W535-V537 PolarHBondContact O-N 2.99Å; W535-E538 PolarHBondContact O-N 2.91Å; W535-G539 PolarHBondContact O-N 2.83Å |
| 536 | S | 89 | Confident | 84 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.4 | -39.3 | 173.3 | -55.9 | 0 | 0 | 0 | 0 | 111.7 | V485 W522 R533 R534 G539 L540 | V485-S536 WeakPolarHBondContact CG1-OG 3.12Å; W522-S536 WeakPolarHBondContact CB-OG 3.19Å; R533-S536 WeakPolarHBondContact O-CA 3.13Å; R533-S536 VanDerWaalsContact O-CB 3.25Å; R533-S536 WeakPolarHBondContact O-CB 3.49Å; R533-S536 PolarHBondContact O-N 2.86Å; R534-S536 PolarHBondContact O-N 3.21Å; S536-G539 PolarHBondContact O-N 3.03Å; S536-L540 WeakPolarHBondContact O-CG 3.44Å; S536-L540 PolarHBondContact O-N 2.82Å |
| 537 | V | 89.2 | Confident | 84.2 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68 | -40.3 | 173.8 | -174.2 | 0 | 0 | 0 | 0 | 111.2 | L523 R533 R534 W535 G539 L540 A541 M563 L566 V574 A577 V578 | L523-V537 HydrophobicContact CD1-CG2 3.67Å; L523-V537 HydrophobicContact CD2-CG2 4.42Å; R533-V537 PolarHBondContact O-N 3.21Å; R534-V537 WeakPolarHBondContact O-CA 3.43Å; R534-V537 WeakPolarHBondContact O-CB 3.37Å; R534-V537 PolarHBondContact O-N 3.44Å; W535-V537 VanDerWaalsContact C-N 3.33Å; W535-V537 PolarHBondContact O-N 2.99Å; V537-G539 VanDerWaalsContact C-N 3.33Å; V537-G539 PolarHBondContact O-N 3.26Å; V537-L540 WeakPolarHBondContact O-CB 3.44Å; V537-L540 PolarHBondContact O-N 3.4Å; V537-L540 VanDerWaalsContact O-N 3.14Å; V537-A541 PolarHBondContact O-N 2.89Å; V537-M563 HydrophobicContact CG1-CG 4.12Å; V537-M563 HydrophobicContact CG1-SD 4.13Å; V537-M563 HydrophobicContact CG2-CG 4.29Å; V537-L566 HydrophobicContact CG2-CD1 4.04Å; V537-V574 HydrophobicContact CB-CG2 4.15Å; V537-V574 HydrophobicContact CG1-CG2 4.38Å; V537-V574 HydrophobicContact CG2-CG2 4.24Å; V537-A577 HydrophobicContact CB-CB 4.43Å; V537-A577 HydrophobicContact CG1-CB 3.98Å; V537-V578 HydrophobicContact CG1-CG2 3.84Å |
| 538 | E | 87.8 | Confident | 84.4 | Confident | 22 Ų | 22 | 20.5 Ų | 20.5 | 10% | 0.103 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.4 | -40 | 176.2 | -167.2 | 169 | 151.7 | 0 | 0 | 111.9 | V489 R534 W535 A541 Y542 A577 | V489-E538 HydrophobicContact CG1-CB 4.3Å; V489-E538 HydrophobicContact CG1-CG 3.98Å; R534-E538 IonicContact CZ-OE2 2.88Å; R534-E538 IonicContact NH1-OE2 3.22Å; R534-E538 PolarHBondContact NH1-OE2 2.94Å; R534-E538 IonicContact NH2-OE2 3.9Å; R534-E538 PolarHBondContact NH2-OE2 3.3Å; R534-E538 PolarHBondContact O-N 3.01Å; W535-E538 PolarHBondContact O-N 2.91Å; E538-A541 WeakPolarHBondContact O-CB 3.46Å; E538-A541 PolarHBondContact O-N 2.99Å; E538-Y542 HydrophobicContact CG-CE2 4.05Å; E538-Y542 WeakPolarHBondContact O-CD2 3.33Å; E538-A577 HydrophobicContact CB-CB 4.07Å; E538-A577 HydrophobicContact CG-CB 4.46Å |
| 539 | G | 86.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.5 | -42.9 | 171 | 0 | 0 | 0 | 0 | 0 | 112.6 | W535 S536 V537 A541 Y542 L543 | W535-G539 PolarHBondContact O-N 2.83Å; S536-G539 PolarHBondContact O-N 3.03Å; V537-G539 VanDerWaalsContact C-N 3.33Å; V537-G539 PolarHBondContact O-N 3.26Å; G539-A541 VanDerWaalsContact C-N 3.31Å; G539-A541 PolarHBondContact O-N 3.28Å; G539-Y542 PolarHBondContact O-N 2.98Å; G539-L543 VanDerWaalsContact O-CG 3.31Å; G539-L543 WeakPolarHBondContact O-CG 3.4Å; G539-L543 PolarHBondContact O-N 3.42Å |
| 540 | L | 88.1 | Confident | 85.2 | Confident | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.2 | -34.8 | 175.6 | -71.3 | 170 | 0 | 0 | 0 | 112.4 | A516 C519 R520 L523 S536 V537 Y542 L543 T544 L553 | A516-L540 HydrophobicContact CB-CD2 4.28Å; C519-L540 HydrophobicContact CB-CD1 4.36Å; C519-L540 HydrophobicContact CB-CD2 3.84Å; C519-L540 HydrophobicContact CB-CG 3.79Å; R520-L540 HydrophobicContact CG-CD2 4.49Å; L523-L540 HydrophobicContact CD2-CD1 4.14Å; S536-L540 WeakPolarHBondContact O-CG 3.44Å; S536-L540 PolarHBondContact O-N 2.82Å; V537-L540 WeakPolarHBondContact O-CB 3.44Å; V537-L540 PolarHBondContact O-N 3.4Å; V537-L540 VanDerWaalsContact O-N 3.14Å; L540-Y542 PolarHBondContact O-N 3.37Å; L540-L543 PolarHBondContact O-N 3.27Å; L540-L543 VanDerWaalsContact O-N 3.15Å; L540-T544 WeakPolarHBondContact O-CB 3.41Å; L540-T544 WeakPolarHBondContact O-CG2 3.36Å; L540-T544 PolarHBondContact O-N 2.91Å; L540-T544 PolarHBondContact O-OG1 2.84Å; L540-L553 HydrophobicContact CD1-CD1 4.26Å |
| 541 | A | 87.8 | Confident | 85.7 | Confident | 4 Ų | 4 | 17.1 Ų | 17.1 | 3% | 0.033 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -58.1 | -38.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V537 E538 G539 T544 T581 N584 | V537-A541 PolarHBondContact O-N 2.89Å; E538-A541 WeakPolarHBondContact O-CB 3.46Å; E538-A541 PolarHBondContact O-N 2.99Å; G539-A541 VanDerWaalsContact C-N 3.31Å; G539-A541 PolarHBondContact O-N 3.28Å; A541-T544 PolarHBondContact O-OG1 3.3Å; A541-T544 VanDerWaalsContact O-OG1 3.05Å; A541-T581 VanDerWaalsContact CA-OG1 3.31Å; A541-T581 WeakPolarHBondContact CA-OG1 3.15Å; A541-T581 WeakPolarHBondContact CB-OG1 3.44Å; A541-T581 PolarHBondContact N-OG1 2.99Å; A541-N584 PolarHBondContact O-ND2 3.39Å |
| 542 | Y | 84.8 | Confident | 86.3 | Confident | 49 Ų | 49 | 17.8 Ų | 17.8 | 19% | 0.192 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -81.2 | -29.7 | 175.6 | -63.4 | -67.3 | 0 | 0 | 0 | 113.5 | K493 S496 E538 G539 L540 F545 | K493-Y542 HydrophobicContact CB-CD2 4.09Å; K493-Y542 HydrophobicContact CB-CE1 4.45Å; K493-Y542 HydrophobicContact CB-CE2 3.92Å; K493-Y542 HydrophobicContact CB-CG 4.43Å; K493-Y542 HydrophobicContact CD-CE2 4.04Å; K493-Y542 WeakPolarHBondContact CE-OH 3.34Å; K493-Y542 HydrophobicContact CG-CE1 3.98Å; K493-Y542 HydrophobicContact CG-CE2 3.99Å; S496-Y542 WeakPolarHBondContact OG-CD1 3.39Å; E538-Y542 HydrophobicContact CG-CE2 4.05Å; E538-Y542 WeakPolarHBondContact O-CD2 3.33Å; G539-Y542 PolarHBondContact O-N 2.98Å; L540-Y542 PolarHBondContact O-N 3.37Å; Y542-F545 HydrophobicContact CD1-CE2 4.45Å; Y542-F545 VanDerWaalsContact O-CD2 3.26Å; Y542-F545 WeakPolarHBondContact O-CD2 3.38Å |
| 543 | L | 85.4 | Confident | 86.6 | Confident | 7 Ų | 7 | 17.8 Ų | 17.8 | 4% | 0.037 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -79.1 | -24.1 | 179.1 | -67.4 | 172.1 | 0 | 0 | 0 | 113 | C492 L515 A516 G539 L540 F545 D546 V549 | C492-L543 HydrophobicContact CB-CG 4.46Å; L515-L543 HydrophobicContact CB-CD1 4.06Å; L515-L543 HydrophobicContact CB-CD2 4.46Å; A516-L543 HydrophobicContact CB-CD1 4.13Å; G539-L543 VanDerWaalsContact O-CG 3.31Å; G539-L543 WeakPolarHBondContact O-CG 3.4Å; G539-L543 PolarHBondContact O-N 3.42Å; L540-L543 PolarHBondContact O-N 3.27Å; L540-L543 VanDerWaalsContact O-N 3.15Å; L543-F545 PolarHBondContact O-N 3.06Å; L543-D546 PolarHBondContact O-N 3.43Å; L543-V549 HydrophobicContact CB-CG1 4.26Å |
| 544 | T | 87.1 | Confident | 86.8 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | 1.6 | 179.9 | 46.8 | 0 | 0 | 0 | 0 | 114.3 | L540 A541 D546 V549 K550 L553 T581 N584 | L540-T544 WeakPolarHBondContact O-CB 3.41Å; L540-T544 WeakPolarHBondContact O-CG2 3.36Å; L540-T544 PolarHBondContact O-N 2.91Å; L540-T544 PolarHBondContact O-OG1 2.84Å; A541-T544 PolarHBondContact O-OG1 3.3Å; A541-T544 VanDerWaalsContact O-OG1 3.05Å; T544-D546 PolarHBondContact O-N 2.69Å; T544-V549 HydrophobicContact CG2-CG1 4.21Å; T544-K550 WeakPolarHBondContact O-CE 3.34Å; T544-K550 VanDerWaalsContact O-CG 3.23Å; T544-K550 WeakPolarHBondContact O-CG 3.33Å; T544-L553 HydrophobicContact CG2-CD2 3.72Å; T544-T581 HydrophobicContact CG2-CG2 3.89Å; T544-N584 PolarHBondContact OG1-ND2 2.67Å |
| 545 | F | 80.3 | Confident | 87 | Confident | 66 Ų | 66 | 20.5 Ų | 20.5 | 29% | 0.289 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -28 | 163.2 | -72.3 | -62.5 | 0 | 0 | 0 | 111.8 | T500 Y542 L543 | T500-F545 HydrophobicContact CG2-CD1 3.79Å; T500-F545 HydrophobicContact CG2-CE1 4.22Å; Y542-F545 HydrophobicContact CD1-CE2 4.45Å; Y542-F545 VanDerWaalsContact O-CD2 3.26Å; Y542-F545 WeakPolarHBondContact O-CD2 3.38Å; L543-F545 PolarHBondContact O-N 3.06Å |
| 546 | D | 81.4 | Confident | 87.3 | Confident | 22 Ų | 22 | 22.2 Ų | 22.2 | 12% | 0.118 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -79.8 | 123.4 | 175.3 | -169.5 | -42 | 0 | 0 | 0 | 110.7 | K505 T512 L543 T544 D548 V549 K550 | K505-D546 IonicContact NZ-OD2 2.85Å; T512-D546 PolarHBondContact OG1-OD2 3.39Å; L543-D546 PolarHBondContact O-N 3.43Å; T544-D546 PolarHBondContact O-N 2.69Å; D546-D548 VanDerWaalsContact C-N 3.27Å; D546-D548 PolarHBondContact O-N 2.93Å; D546-D548 WeakPolarHBondContact OD1-CB 3.47Å; D546-D548 PolarHBondContact OD1-N 2.92Å; D546-V549 HydrophobicContact CB-CB 4.31Å; D546-V549 HydrophobicContact CB-CG2 3.97Å; D546-V549 WeakPolarHBondContact O-CB 3.44Å; D546-V549 PolarHBondContact O-N 2.97Å; D546-V549 VanDerWaalsContact O-N 3.08Å; D546-K550 WeakPolarHBondContact O-CG 3.42Å; D546-K550 PolarHBondContact O-N 3.09Å; D546-K550 VanDerWaalsContact O-N 3.13Å |
| 547 | A | 82.1 | Confident | 87.3 | Confident | 4 Ų | 4 | 27.9 Ų | 27.9 | 3% | 0.033 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.2 | -28.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | V549 K550 E551 H613 K615 | A547-V549 VanDerWaalsContact C-N 3.33Å; A547-K550 PolarHBondContact O-N 3.33Å; A547-E551 PolarHBondContact O-N 3.31Å; A547-H613 HydrophobicContact CB-CB 3.78Å; A547-H613 VanDerWaalsContact CB-ND1 3.28Å; A547-H613 WeakPolarHBondContact CB-ND1 3.42Å; A547-K615 HydrophobicContact CB-CB 4.12Å |
| 548 | D | 84.3 | Confident | 87.4 | Confident | 47 Ų | 47 | 33.4 Ų | 33.4 | 25% | 0.251 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -67.2 | -38.1 | 174.2 | -70.9 | -37.9 | 0 | 0 | 0 | 111.1 | L513 D546 D552 H613 K615 | L513-D548 HydrophobicContact CD1-CB 3.96Å; D546-D548 VanDerWaalsContact C-N 3.27Å; D546-D548 PolarHBondContact O-N 2.93Å; D546-D548 WeakPolarHBondContact OD1-CB 3.47Å; D546-D548 PolarHBondContact OD1-N 2.92Å; D548-D552 WeakPolarHBondContact O-CB 3.48Å; D548-D552 PolarHBondContact O-N 3.47Å; D548-D552 VanDerWaalsContact O-N 3.14Å; D548-H613 IonicContact OD1-CE1 3.34Å; D548-K615 WeakPolarHBondContact OD1-CD 3.46Å; D548-K615 WeakPolarHBondContact OD1-CE 3.37Å; D548-K615 IonicContact OD1-NZ 3.7Å; D548-K615 PolarHBondContact OD1-NZ 2.91Å |
| 549 | V | 87.1 | Confident | 87.5 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.012 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.5 | -36.1 | 176.7 | 178.2 | 0 | 0 | 0 | 0 | 111.1 | A516 L543 T544 D546 A547 D552 L553 | A516-V549 HydrophobicContact CB-CG1 3.72Å; A516-V549 HydrophobicContact CB-CG2 4.15Å; L543-V549 HydrophobicContact CB-CG1 4.26Å; T544-V549 HydrophobicContact CG2-CG1 4.21Å; D546-V549 HydrophobicContact CB-CB 4.31Å; D546-V549 HydrophobicContact CB-CG2 3.97Å; D546-V549 WeakPolarHBondContact O-CB 3.44Å; D546-V549 PolarHBondContact O-N 2.97Å; D546-V549 VanDerWaalsContact O-N 3.08Å; A547-V549 VanDerWaalsContact C-N 3.33Å; V549-D552 PolarHBondContact O-N 3.07Å; V549-L553 VanDerWaalsContact O-CB 3.25Å; V549-L553 WeakPolarHBondContact O-CB 3.46Å; V549-L553 PolarHBondContact O-N 3.45Å |
| 550 | K | 89.2 | Confident | 87.8 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 0% | 0.004 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.2 | -50.3 | 175.9 | -62.1 | 176.8 | -166.4 | 175.6 | 0 | 111.3 | T544 D546 A547 L553 V554 N584 N587 Y589 D616 R624 | T544-K550 WeakPolarHBondContact O-CE 3.34Å; T544-K550 VanDerWaalsContact O-CG 3.23Å; T544-K550 WeakPolarHBondContact O-CG 3.33Å; D546-K550 WeakPolarHBondContact O-CG 3.42Å; D546-K550 PolarHBondContact O-N 3.09Å; D546-K550 VanDerWaalsContact O-N 3.13Å; A547-K550 PolarHBondContact O-N 3.33Å; K550-L553 PolarHBondContact O-N 3.44Å; K550-V554 VanDerWaalsContact O-CG2 3.28Å; K550-V554 WeakPolarHBondContact O-CG2 3.28Å; K550-V554 PolarHBondContact O-N 2.65Å; K550-V554 VanDerWaalsContact O-N 3.1Å; K550-N584 WeakPolarHBondContact CD-O 3.5Å; K550-N584 VanDerWaalsContact CE-O 3.29Å; K550-N584 WeakPolarHBondContact CE-O 3.43Å; K550-N587 PolarHBondContact NZ-OD1 3.45Å; K550-Y589 PolarHBondContact NZ-OH 3.29Å; K550-D616 IonicContact NZ-OD1 3.94Å; K550-D616 PolarHBondContact NZ-OD1 3.3Å; K550-D616 IonicContact NZ-OD2 3.65Å; K550-D616 PolarHBondContact NZ-OD2 2.74Å; K550-R624 VanDerWaalsContact CD-NH1 3.34Å |
| 551 | E | 89.3 | Confident | 87.9 | Confident | 22 Ų | 22 | 35.6 Ų | 35.6 | 10% | 0.103 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.2 | -47.5 | 179.2 | -67.8 | -57.2 | 144.6 | 0 | 0 | 111.7 | A547 L553 V554 E555 K615 R624 | A547-E551 PolarHBondContact O-N 3.31Å; E551-L553 VanDerWaalsContact C-N 3.29Å; E551-L553 PolarHBondContact O-N 3.16Å; E551-V554 PolarHBondContact O-N 2.69Å; E551-E555 WeakPolarHBondContact O-CG 3.33Å; E551-E555 PolarHBondContact O-N 3.47Å; E551-K615 HydrophobicContact CG-CB 4.32Å; E551-K615 HydrophobicContact CG-CD 3.94Å; E551-R624 WeakPolarHBondContact OE1-CD 3.48Å; E551-R624 WeakPolarHBondContact OE1-CG 3.43Å; E551-R624 IonicContact OE1-CZ 2.74Å; E551-R624 IonicContact OE1-NE 3.1Å; E551-R624 PolarHBondContact OE1-NE 2.96Å |
| 552 | D | 89.6 | Confident | 88 | Confident | 47 Ų | 47 | 36.1 Ų | 36.1 | 25% | 0.251 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61.8 | -37.2 | -178.6 | -133 | 67.9 | 0 | 0 | 0 | 111.3 | R520 D548 V549 D556 | R520-D552 IonicContact CZ-OD2 3.61Å; R520-D552 PolarHBondContact NH1-O 3.11Å; R520-D552 IonicContact NH1-OD2 2.74Å; R520-D552 PolarHBondContact NH1-OD2 3.24Å; R520-D552 IonicContact NH2-OD2 3.39Å; R520-D552 PolarHBondContact NH2-OD2 3.3Å; D548-D552 WeakPolarHBondContact O-CB 3.48Å; D548-D552 PolarHBondContact O-N 3.47Å; D548-D552 VanDerWaalsContact O-N 3.14Å; V549-D552 PolarHBondContact O-N 3.07Å; D552-D556 PolarHBondContact O-N 3.32Å |
| 553 | L | 90.5 | Very high | 88.3 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70.3 | -43.1 | 177.7 | -179.7 | 63.1 | 0 | 0 | 0 | 112.1 | R520 L540 T544 V549 K550 E551 E555 D556 A559 T581 | R520-L553 HydrophobicContact CG-CD1 4.2Å; L540-L553 HydrophobicContact CD1-CD1 4.26Å; T544-L553 HydrophobicContact CG2-CD2 3.72Å; V549-L553 VanDerWaalsContact O-CB 3.25Å; V549-L553 WeakPolarHBondContact O-CB 3.46Å; V549-L553 PolarHBondContact O-N 3.45Å; K550-L553 PolarHBondContact O-N 3.44Å; E551-L553 VanDerWaalsContact C-N 3.29Å; E551-L553 PolarHBondContact O-N 3.16Å; L553-E555 VanDerWaalsContact C-N 3.27Å; L553-E555 PolarHBondContact O-N 3.34Å; L553-D556 PolarHBondContact O-N 3.29Å; L553-A559 HydrophobicContact CD1-CB 4.22Å; L553-T581 HydrophobicContact CD2-CG2 3.71Å |
| 554 | V | 89.9 | Confident | 88.6 | Confident | 5 Ų | 5 | 33.6 Ų | 33.6 | 3% | 0.03 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -71.7 | -24.7 | -178.5 | 176.6 | 0 | 0 | 0 | 0 | 111.8 | K550 E551 C585 R624 K627 L628 | K550-V554 VanDerWaalsContact O-CG2 3.28Å; K550-V554 WeakPolarHBondContact O-CG2 3.28Å; K550-V554 PolarHBondContact O-N 2.65Å; K550-V554 VanDerWaalsContact O-N 3.1Å; E551-V554 PolarHBondContact O-N 2.69Å; V554-C585 HydrophobicContact CG2-CB 4.33Å; V554-R624 HydrophobicContact CB-CG 4.3Å; V554-R624 HydrophobicContact CG1-CB 4.24Å; V554-R624 HydrophobicContact CG1-CG 4.21Å; V554-R624 HydrophobicContact CG2-CB 4.46Å; V554-R624 HydrophobicContact CG2-CG 4.22Å; V554-K627 HydrophobicContact CG1-CB 3.57Å; V554-K627 HydrophobicContact CG1-CD 3.88Å; V554-K627 HydrophobicContact CG1-CG 4.38Å; V554-L628 HydrophobicContact CG1-CG 4.32Å; V554-L628 HydrophobicContact CG2-CD2 4.31Å; V554-L628 HydrophobicContact CG2-CG 4.41Å |
| 555 | E | 90.9 | Very high | 88.7 | Confident | 121 Ų | 121 | 37.9 Ų | 37.9 | 57% | 0.565 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -72.3 | -28.4 | 171.3 | -76.6 | -177.1 | 171.4 | 0 | 0 | 113.8 | E551 L553 K557 K627 | E551-E555 WeakPolarHBondContact O-CG 3.33Å; E551-E555 PolarHBondContact O-N 3.47Å; L553-E555 VanDerWaalsContact C-N 3.27Å; L553-E555 PolarHBondContact O-N 3.34Å; E555-K557 PolarHBondContact O-N 3.18Å; E555-K557 VanDerWaalsContact O-N 3.16Å; E555-K627 VanDerWaalsContact CG-NZ 3.29Å; E555-K627 IonicContact OE1-NZ 2.67Å; E555-K627 PolarHBondContact OE1-NZ 3.34Å |
| 556 | D | 92.4 | Very high | 88.9 | Confident | 45 Ų | 45 | 35 Ų | 35 | 24% | 0.241 | 18% | 0.18 | C | C | . | . | trans | -85.2 | 87.9 | 179.8 | -169.9 | -13.9 | 0 | 0 | 0 | 111.6 | R520 D552 L553 N558 A559 L560 | R520-D556 IonicContact NE-OD2 2.66Å; D552-D556 PolarHBondContact O-N 3.32Å; L553-D556 PolarHBondContact O-N 3.29Å; D556-N558 PolarHBondContact O-N 2.85Å; D556-N558 PolarHBondContact OD1-N 3.35Å; D556-A559 HydrophobicContact CB-CB 3.99Å; D556-A559 PolarHBondContact O-N 3.41Å; D556-A559 PolarHBondContact OD1-N 3.5Å; D556-A559 VanDerWaalsContact OD1-N 3.15Å; D556-L560 PolarHBondContact O-N 3.3Å; D556-L560 VanDerWaalsContact O-N 3.12Å | ||
| 557 | K | 90.3 | Very high | 89 | Confident | 119 Ų | 119 | 34 Ų | 34 | 52% | 0.517 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -57.6 | -33.5 | 179 | -171.1 | 171.8 | -176.8 | 170.3 | 0 | 113.2 | E555 L560 L561 | E555-K557 PolarHBondContact O-N 3.18Å; E555-K557 VanDerWaalsContact O-N 3.16Å; K557-L560 PolarHBondContact O-N 2.99Å; K557-L561 HydrophobicContact CG-CD1 4.19Å; K557-L561 HydrophobicContact CG-CG 4.43Å; K557-L561 WeakPolarHBondContact O-CG 3.39Å; K557-L561 PolarHBondContact O-N 3.01Å |
| 558 | N | 90.6 | Very high | 89.1 | Confident | 115 Ų | 115 | 37.6 Ų | 37.6 | 62% | 0.615 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -70 | -41.6 | -179.1 | -67 | -24.6 | 0 | 0 | 0 | 110.9 | D556 L560 L561 A562 | D556-N558 PolarHBondContact O-N 2.85Å; D556-N558 PolarHBondContact OD1-N 3.35Å; N558-L560 VanDerWaalsContact C-N 3.35Å; N558-L561 PolarHBondContact O-N 2.87Å; N558-A562 WeakPolarHBondContact O-CB 3.44Å; N558-A562 PolarHBondContact O-N 3.11Å |
| 559 | A | 90.9 | Very high | 89 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.3 | -40.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | R520 L523 L553 D556 M563 | R520-A559 HydrophobicContact CB-CB 4.35Å; R520-A559 HydrophobicContact CG-CB 4.08Å; L523-A559 HydrophobicContact CD2-CB 4.45Å; L523-A559 WeakPolarHBondContact CD2-O 3.44Å; L553-A559 HydrophobicContact CD1-CB 4.22Å; D556-A559 HydrophobicContact CB-CB 3.99Å; D556-A559 PolarHBondContact O-N 3.41Å; D556-A559 PolarHBondContact OD1-N 3.5Å; D556-A559 VanDerWaalsContact OD1-N 3.15Å; A559-M563 WeakPolarHBondContact O-CB 3.33Å; A559-M563 PolarHBondContact O-N 3.36Å |
| 560 | L | 91.5 | Very high | 88.1 | Confident | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63 | -46.9 | 175.7 | -69.3 | 178.1 | 0 | 0 | 0 | 112.3 | D556 K557 N558 M563 F564 L628 A631 | D556-L560 PolarHBondContact O-N 3.3Å; D556-L560 VanDerWaalsContact O-N 3.12Å; K557-L560 PolarHBondContact O-N 2.99Å; N558-L560 VanDerWaalsContact C-N 3.35Å; L560-M563 HydrophobicContact CD2-CE 4.05Å; L560-M563 WeakPolarHBondContact O-CB 3.37Å; L560-M563 PolarHBondContact O-N 3.49Å; L560-F564 HydrophobicContact CB-CE2 4.2Å; L560-F564 HydrophobicContact CB-CZ 4.47Å; L560-F564 VanDerWaalsContact O-CD2 3.31Å; L560-F564 WeakPolarHBondContact O-CD2 3.37Å; L560-F564 WeakPolarHBondContact O-CG 3.4Å; L560-F564 PolarHBondContact O-N 3.24Å; L560-L628 HydrophobicContact CD1-CD2 4.13Å; L560-L628 HydrophobicContact CD2-CD2 3.92Å; L560-A631 HydrophobicContact CB-CB 4.3Å; L560-A631 HydrophobicContact CD1-CB 3.88Å |
| 561 | L | 91.2 | Very high | 87.2 | Confident | 65 Ų | 65 | 45.5 Ų | 45.5 | 34% | 0.34 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.4 | -45.8 | 177.8 | -71.7 | 172.6 | 0 | 0 | 0 | 111.3 | K557 N558 M563 F564 D565 | K557-L561 HydrophobicContact CG-CD1 4.19Å; K557-L561 HydrophobicContact CG-CG 4.43Å; K557-L561 WeakPolarHBondContact O-CG 3.39Å; K557-L561 PolarHBondContact O-N 3.01Å; N558-L561 PolarHBondContact O-N 2.87Å; L561-M563 VanDerWaalsContact C-N 3.31Å; L561-M563 PolarHBondContact O-N 2.9Å; L561-F564 PolarHBondContact O-N 3.4Å; L561-F564 VanDerWaalsContact O-N 3.14Å; L561-D565 WeakPolarHBondContact O-CB 3.44Å; L561-D565 VanDerWaalsContact O-CG 3.27Å; L561-D565 PolarHBondContact O-N 3.32Å |
| 562 | A | 90 | Very high | 86.5 | Confident | 16 Ų | 16 | 44.8 Ų | 44.8 | 13% | 0.132 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.3 | -39.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L523 N558 D565 L566 | L523-A562 HydrophobicContact CD1-CB 4.37Å; L523-A562 HydrophobicContact CG-CB 3.98Å; N558-A562 WeakPolarHBondContact O-CB 3.44Å; N558-A562 PolarHBondContact O-N 3.11Å; A562-D565 PolarHBondContact O-N 3.45Å; A562-L566 WeakPolarHBondContact O-CG 3.34Å; A562-L566 PolarHBondContact O-N 3.21Å; A562-L566 VanDerWaalsContact O-N 3.12Å |
| 563 | M | 91.5 | Very high | 85.8 | Confident | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.1 | -43.1 | 174.3 | -173.9 | 178.2 | 65.6 | 0 | 0 | 112 | L523 V537 A559 L560 L561 L566 A567 V578 T581 L582 | L523-M563 HydrophobicContact CD2-CB 4.18Å; V537-M563 HydrophobicContact CG1-CG 4.12Å; V537-M563 HydrophobicContact CG1-SD 4.13Å; V537-M563 HydrophobicContact CG2-CG 4.29Å; A559-M563 WeakPolarHBondContact O-CB 3.33Å; A559-M563 PolarHBondContact O-N 3.36Å; L560-M563 HydrophobicContact CD2-CE 4.05Å; L560-M563 WeakPolarHBondContact O-CB 3.37Å; L560-M563 PolarHBondContact O-N 3.49Å; L561-M563 VanDerWaalsContact C-N 3.31Å; L561-M563 PolarHBondContact O-N 2.9Å; M563-L566 PolarHBondContact O-N 3.42Å; M563-A567 PolarHBondContact O-N 3.37Å; M563-V578 HydrophobicContact CG-CG1 4.37Å; M563-V578 HydrophobicContact CG-CG2 3.93Å; M563-V578 HydrophobicContact SD-CG1 4.47Å; M563-T581 HydrophobicContact SD-CG2 4.11Å; M563-L582 HydrophobicContact CE-CD2 4.05Å; M563-L582 HydrophobicContact CE-CG 4.45Å |
| 564 | F | 90.9 | Very high | 85.4 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.3 | -34.4 | 178.8 | -64.6 | -23.6 | 0 | 0 | 0 | 112.8 | L560 L561 A567 K568 L582 L628 A631 V633 A636 | L560-F564 HydrophobicContact CB-CE2 4.2Å; L560-F564 HydrophobicContact CB-CZ 4.47Å; L560-F564 VanDerWaalsContact O-CD2 3.31Å; L560-F564 WeakPolarHBondContact O-CD2 3.37Å; L560-F564 WeakPolarHBondContact O-CG 3.4Å; L560-F564 PolarHBondContact O-N 3.24Å; L561-F564 PolarHBondContact O-N 3.4Å; L561-F564 VanDerWaalsContact O-N 3.14Å; F564-A567 PolarHBondContact O-N 2.89Å; F564-K568 VanDerWaalsContact O-CG 3.3Å; F564-K568 WeakPolarHBondContact O-CG 3.44Å; F564-K568 PolarHBondContact O-N 3.46Å; F564-K568 VanDerWaalsContact O-N 3.12Å; F564-L582 HydrophobicContact CE1-CD2 4.22Å; F564-L628 HydrophobicContact CZ-CD2 4.48Å; F564-A631 WeakPolarHBondContact CD2-O 3.38Å; F564-A631 HydrophobicContact CE2-CB 3.85Å; F564-A631 WeakPolarHBondContact CE2-O 3.43Å; F564-V633 HydrophobicContact CE1-CB 4.23Å; F564-V633 HydrophobicContact CE1-CG2 3.98Å; F564-V633 HydrophobicContact CE2-CB 4.22Å; F564-V633 HydrophobicContact CZ-CB 3.67Å; F564-V633 HydrophobicContact CZ-CG2 3.87Å; F564-A636 HydrophobicContact CB-CB 3.9Å; F564-A636 HydrophobicContact CD1-CB 3.74Å; F564-A636 HydrophobicContact CE1-CB 4.5Å; F564-A636 HydrophobicContact CG-CB 3.89Å |
| 565 | D | 88.1 | Confident | 85.2 | Confident | 89 Ų | 89 | 43.3 Ų | 43.3 | 48% | 0.476 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -70.4 | -35.5 | 176.4 | -68.8 | -20 | 0 | 0 | 0 | 111.6 | L561 A562 K568 S569 | L561-D565 WeakPolarHBondContact O-CB 3.44Å; L561-D565 VanDerWaalsContact O-CG 3.27Å; L561-D565 PolarHBondContact O-N 3.32Å; A562-D565 PolarHBondContact O-N 3.45Å; D565-K568 PolarHBondContact O-N 3.1Å; D565-K568 IonicContact OD1-NZ 2.76Å; D565-S569 PolarHBondContact O-N 3.48Å; D565-S569 VanDerWaalsContact O-N 3.11Å |
| 566 | L | 85.7 | Confident | 84.9 | Confident | 7 Ų | 7 | 41.6 Ų | 41.6 | 4% | 0.037 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.9 | -40.8 | 169.2 | -70.1 | 175.5 | 0 | 0 | 0 | 112.2 | L523 P530 R533 V537 A562 M563 K568 S569 | L523-L566 HydrophobicContact CD1-CD1 3.4Å; L523-L566 VanDerWaalsContact CD1-CD1 3.4Å; P530-L566 HydrophobicContact CB-CD2 4.04Å; R533-L566 HydrophobicContact CB-CD1 3.71Å; R533-L566 HydrophobicContact CB-CD2 4.26Å; V537-L566 HydrophobicContact CG2-CD1 4.04Å; A562-L566 WeakPolarHBondContact O-CG 3.34Å; A562-L566 PolarHBondContact O-N 3.21Å; A562-L566 VanDerWaalsContact O-N 3.12Å; M563-L566 PolarHBondContact O-N 3.42Å; L566-K568 PolarHBondContact O-N 2.94Å; L566-S569 VanDerWaalsContact O-CB 3.3Å; L566-S569 WeakPolarHBondContact O-CB 3.45Å; L566-S569 PolarHBondContact O-N 3.43Å; L566-S569 VanDerWaalsContact O-N 3.07Å; L566-S569 PolarHBondContact O-OG 3.1Å |
| 567 | A | 83.9 | Confident | 84.6 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.7 | -28.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | M563 F564 V578 M640 | M563-A567 PolarHBondContact O-N 3.37Å; F564-A567 PolarHBondContact O-N 2.89Å; A567-V578 HydrophobicContact CB-CG1 4.33Å; A567-V578 HydrophobicContact CB-CG2 4.33Å; A567-M640 HydrophobicContact CB-CG 4.21Å; A567-M640 HydrophobicContact CB-SD 4.14Å |
| 568 | K | 84.2 | Confident | 84.6 | Confident | 79 Ų | 79 | 34 Ų | 34 | 34% | 0.343 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -82.8 | -16.7 | 175.7 | -67.2 | 166.4 | -168.8 | 165.3 | 0 | 113.4 | F564 D565 L566 C639 | F564-K568 VanDerWaalsContact O-CG 3.3Å; F564-K568 WeakPolarHBondContact O-CG 3.44Å; F564-K568 PolarHBondContact O-N 3.46Å; F564-K568 VanDerWaalsContact O-N 3.12Å; D565-K568 PolarHBondContact O-N 3.1Å; D565-K568 IonicContact OD1-NZ 2.76Å; L566-K568 PolarHBondContact O-N 2.94Å; K568-C639 HydrophobicContact CG-CB 4.01Å |
| 569 | S | 80.7 | Confident | 84.5 | Confident | 34 Ų | 34 | 28.6 Ų | 28.6 | 24% | 0.238 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -66.7 | 169.4 | -178.8 | 79.7 | 0 | 0 | 0 | 0 | 113 | D565 L566 D571 K572 | D565-S569 PolarHBondContact O-N 3.48Å; D565-S569 VanDerWaalsContact O-N 3.11Å; L566-S569 VanDerWaalsContact O-CB 3.3Å; L566-S569 WeakPolarHBondContact O-CB 3.45Å; L566-S569 PolarHBondContact O-N 3.43Å; L566-S569 VanDerWaalsContact O-N 3.07Å; L566-S569 PolarHBondContact O-OG 3.1Å; S569-D571 VanDerWaalsContact C-N 3.26Å; S569-D571 PolarHBondContact O-N 3.44Å; S569-D571 PolarHBondContact OG-N 3.29Å; S569-K572 WeakPolarHBondContact O-CE 3.45Å; S569-K572 PolarHBondContact O-NZ 3.17Å |
| 570 | E | 68.6 | Low | 84.4 | Confident | 173 Ų | 173 | 29.5 Ų | 29.5 | 81% | 0.808 | 15% | 0.152 | S | C | * | . | S | Bend | trans | -69.6 | -22.9 | 178.1 | -63.1 | -172.3 | 169.4 | 0 | 0 | 113.1 | N355 K572 | N355-E570 PolarHBondContact ND2-O 3.29Å; N355-E570 VanDerWaalsContact ND2-O 3.09Å; E570-K572 PolarHBondContact O-N 2.96Å |
| 571 | D | 70.9 | Confident | 84.4 | Confident | 10 Ų | 10 | 29.3 Ų | 29.3 | 5% | 0.053 | 15% | 0.151 | C | C | . | . | trans | -73.7 | 115.9 | 175.1 | 179.8 | 12.3 | 0 | 0 | 0 | 110.3 | N355 S569 T573 | N355-D571 PolarHBondContact OD1-OD1 3.46Å; S569-D571 VanDerWaalsContact C-N 3.26Å; S569-D571 PolarHBondContact O-N 3.44Å; S569-D571 PolarHBondContact OG-N 3.29Å; D571-T573 VanDerWaalsContact CG-OG1 3.3Å; D571-T573 WeakPolarHBondContact OD1-CB 3.49Å; D571-T573 WeakPolarHBondContact OD1-CG2 3.45Å; D571-T573 PolarHBondContact OD1-N 3.28Å; D571-T573 PolarHBondContact OD1-OG1 3.06Å; D571-T573 PolarHBondContact OD2-OG1 2.8Å | ||
| 572 | K | 73.8 | Confident | 84.4 | Confident | 6 Ų | 6 | 26.2 Ų | 26.2 | 3% | 0.026 | 14% | 0.135 | C | C | . | . | trans | -101.7 | -3.1 | -177.6 | -57.1 | -46.8 | -173.1 | -171.7 | 0 | 113.3 | N355 S569 E570 V574 L575 A647 | N355-K572 PolarHBondContact OD1-N 3.48Å; S569-K572 WeakPolarHBondContact O-CE 3.45Å; S569-K572 PolarHBondContact O-NZ 3.17Å; E570-K572 PolarHBondContact O-N 2.96Å; K572-V574 PolarHBondContact O-N 2.74Å; K572-L575 HydrophobicContact CB-CD1 4.18Å; K572-L575 HydrophobicContact CB-CG 4.29Å; K572-L575 HydrophobicContact CD-CD1 4.12Å; K572-L575 HydrophobicContact CD-CD2 4.43Å; K572-L575 HydrophobicContact CD-CG 4.29Å; K572-L575 WeakPolarHBondContact O-CG 3.36Å; K572-L575 PolarHBondContact O-N 3.04Å; K572-A647 HydrophobicContact CB-CB 3.69Å | ||
| 573 | T | 74.9 | Confident | 84.4 | Confident | 20 Ų | 20 | 25.7 Ų | 25.7 | 12% | 0.123 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -16.7 | 176.1 | 65.5 | 0 | 0 | 0 | 0 | 111.9 | M358 R534 D571 | M358-T573 HydrophobicContact CB-CG2 3.82Å; M358-T573 HydrophobicContact CG-CG2 4.34Å; R534-T573 WeakPolarHBondContact CD-OG1 3.46Å; R534-T573 PolarHBondContact NE-OG1 2.9Å; R534-T573 VanDerWaalsContact NE-OG1 3.17Å; R534-T573 PolarHBondContact NH1-O 2.98Å; D571-T573 VanDerWaalsContact CG-OG1 3.3Å; D571-T573 WeakPolarHBondContact OD1-CB 3.49Å; D571-T573 WeakPolarHBondContact OD1-CG2 3.45Å; D571-T573 PolarHBondContact OD1-N 3.28Å; D571-T573 PolarHBondContact OD1-OG1 3.06Å; D571-T573 PolarHBondContact OD2-OG1 2.8Å |
| 574 | V | 83.5 | Confident | 84.3 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -17.3 | 177.5 | 76.1 | 0 | 0 | 0 | 0 | 114.1 | R534 V537 K572 F576 A577 V578 | R534-V574 HydrophobicContact CB-CB 4.24Å; R534-V574 HydrophobicContact CB-CG2 4.1Å; R534-V574 HydrophobicContact CG-CB 3.93Å; R534-V574 HydrophobicContact CG-CG2 3.97Å; V537-V574 HydrophobicContact CB-CG2 4.15Å; V537-V574 HydrophobicContact CG1-CG2 4.38Å; V537-V574 HydrophobicContact CG2-CG2 4.24Å; K572-V574 PolarHBondContact O-N 2.74Å; V574-F576 VanDerWaalsContact C-N 3.33Å; V574-F576 PolarHBondContact O-N 2.9Å; V574-A577 PolarHBondContact O-N 3.1Å; V574-A577 VanDerWaalsContact O-N 3.12Å; V574-V578 HydrophobicContact CG2-CG2 4Å; V574-V578 PolarHBondContact O-N 3.2Å |
| 575 | L | 84.7 | Confident | 84.2 | Confident | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.4 | -40.8 | -169.7 | -65.6 | -168.9 | 0 | 0 | 0 | 113.4 | K572 V578 G579 M640 L648 | K572-L575 HydrophobicContact CB-CD1 4.18Å; K572-L575 HydrophobicContact CB-CG 4.29Å; K572-L575 HydrophobicContact CD-CD1 4.12Å; K572-L575 HydrophobicContact CD-CD2 4.43Å; K572-L575 HydrophobicContact CD-CG 4.29Å; K572-L575 WeakPolarHBondContact O-CG 3.36Å; K572-L575 PolarHBondContact O-N 3.04Å; L575-V578 PolarHBondContact O-N 3.33Å; L575-G579 PolarHBondContact O-N 3.3Å; L575-M640 HydrophobicContact CB-CE 4.13Å; L575-M640 HydrophobicContact CD2-CB 4.32Å; L575-M640 HydrophobicContact CD2-CE 4.04Å; L575-M640 HydrophobicContact CD2-CG 3.7Å; L575-M640 HydrophobicContact CD2-SD 4.3Å; L575-L648 HydrophobicContact CD1-CD1 4.24Å |
| 576 | F | 85.1 | Confident | 84.2 | Confident | 86 Ų | 86 | 21.9 Ų | 21.9 | 38% | 0.377 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -63.2 | -44.8 | 178.2 | -178.4 | -90.9 | 0 | 0 | 0 | 111.6 | V574 G579 S580 A651 F655 | V574-F576 VanDerWaalsContact C-N 3.33Å; V574-F576 PolarHBondContact O-N 2.9Å; F576-G579 PolarHBondContact O-N 3.09Å; F576-S580 WeakPolarHBondContact O-CB 3.07Å; F576-S580 PolarHBondContact O-N 3.39Å; F576-A651 HydrophobicContact CE2-CB 4.45Å; F576-F655 HydrophobicContact CD2-CE2 4.07Å; F576-F655 HydrophobicContact CE2-CD2 4.48Å; F576-F655 AromaticContact CE2-CE2 3.57Å; F576-F655 HydrophobicContact CE2-CE2 3.57Å; F576-F655 HydrophobicContact CE2-CZ 4.22Å; F576-F655 AromaticContact CZ-CE2 3.91Å; F576-F655 HydrophobicContact CZ-CE2 3.91Å; F576-F655 HydrophobicContact CZ-CZ 4.4Å |
| 577 | A | 86.6 | Confident | 84.3 | Confident | 3 Ų | 3 | 23.3 Ų | 23.3 | 3% | 0.025 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.4 | -43.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V537 E538 V574 S580 T581 | V537-A577 HydrophobicContact CB-CB 4.43Å; V537-A577 HydrophobicContact CG1-CB 3.98Å; E538-A577 HydrophobicContact CB-CB 4.07Å; E538-A577 HydrophobicContact CG-CB 4.46Å; V574-A577 PolarHBondContact O-N 3.1Å; V574-A577 VanDerWaalsContact O-N 3.12Å; A577-S580 PolarHBondContact O-N 2.96Å; A577-T581 WeakPolarHBondContact O-CB 2.97Å; A577-T581 PolarHBondContact O-N 3.25Å; A577-T581 PolarHBondContact O-OG1 2.99Å |
| 578 | V | 89.9 | Confident | 84.3 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.1 | -48.2 | 174.7 | 176 | 0 | 0 | 0 | 0 | 110.5 | V537 M563 A567 V574 L575 S580 T581 L582 M640 | V537-V578 HydrophobicContact CG1-CG2 3.84Å; M563-V578 HydrophobicContact CG-CG1 4.37Å; M563-V578 HydrophobicContact CG-CG2 3.93Å; M563-V578 HydrophobicContact SD-CG1 4.47Å; A567-V578 HydrophobicContact CB-CG1 4.33Å; A567-V578 HydrophobicContact CB-CG2 4.33Å; V574-V578 HydrophobicContact CG2-CG2 4Å; V574-V578 PolarHBondContact O-N 3.2Å; L575-V578 PolarHBondContact O-N 3.33Å; V578-S580 PolarHBondContact O-N 3.02Å; V578-T581 PolarHBondContact O-N 3.16Å; V578-L582 HydrophobicContact CG1-CD1 3.89Å; V578-L582 HydrophobicContact CG1-CG 4.36Å; V578-L582 WeakPolarHBondContact O-CB 3.46Å; V578-L582 VanDerWaalsContact O-CG 3.31Å; V578-L582 WeakPolarHBondContact O-CG 3.41Å; V578-L582 PolarHBondContact O-N 2.91Å; V578-M640 HydrophobicContact CG1-SD 4.12Å |
| 579 | G | 88.6 | Confident | 84.2 | Confident | 2 Ų | 2 | 23.3 Ų | 23.3 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.4 | -46.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L575 F576 L582 V583 | L575-G579 PolarHBondContact O-N 3.3Å; F576-G579 PolarHBondContact O-N 3.09Å; G579-L582 PolarHBondContact O-N 3.44Å; G579-V583 WeakPolarHBondContact O-CG2 3.15Å; G579-V583 PolarHBondContact O-N 3.48Å |
| 580 | S | 88.6 | Confident | 83.7 | Confident | 19 Ų | 19 | 26.4 Ų | 26.4 | 13% | 0.133 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.5 | -43.5 | 177.5 | -174.7 | 0 | 0 | 0 | 0 | 112.2 | F576 A577 V578 L582 V583 N584 | F576-S580 WeakPolarHBondContact O-CB 3.07Å; F576-S580 PolarHBondContact O-N 3.39Å; A577-S580 PolarHBondContact O-N 2.96Å; V578-S580 PolarHBondContact O-N 3.02Å; S580-L582 VanDerWaalsContact C-N 3.32Å; S580-L582 PolarHBondContact O-N 3.19Å; S580-V583 PolarHBondContact O-N 3.36Å; S580-N584 WeakPolarHBondContact O-CB 3.39Å; S580-N584 PolarHBondContact O-N 3.01Å; S580-N584 PolarHBondContact O-ND2 2.85Å |
| 581 | T | 90.5 | Very high | 83.6 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.5 | -44.9 | 176 | -55.9 | 0 | 0 | 0 | 0 | 110.5 | A541 T544 L553 M563 A577 V578 N584 C585 | A541-T581 VanDerWaalsContact CA-OG1 3.31Å; A541-T581 WeakPolarHBondContact CA-OG1 3.15Å; A541-T581 WeakPolarHBondContact CB-OG1 3.44Å; A541-T581 PolarHBondContact N-OG1 2.99Å; T544-T581 HydrophobicContact CG2-CG2 3.89Å; L553-T581 HydrophobicContact CD2-CG2 3.71Å; M563-T581 HydrophobicContact SD-CG2 4.11Å; A577-T581 WeakPolarHBondContact O-CB 2.97Å; A577-T581 PolarHBondContact O-N 3.25Å; A577-T581 PolarHBondContact O-OG1 2.99Å; V578-T581 PolarHBondContact O-N 3.16Å; T581-N584 PolarHBondContact O-N 2.9Å; T581-C585 WeakPolarHBondContact O-CB 3.46Å; T581-C585 PolarHBondContact O-N 3.23Å; T581-C585 PolarHBondContact O-SG 3.36Å |
| 582 | L | 91.8 | Very high | 83.1 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.5 | -45.6 | 179.2 | -71.2 | 175.6 | 0 | 0 | 0 | 112 | M563 F564 V578 G579 S580 N584 C585 T586 L628 V633 L637 V659 | M563-L582 HydrophobicContact CE-CD2 4.05Å; M563-L582 HydrophobicContact CE-CG 4.45Å; F564-L582 HydrophobicContact CE1-CD2 4.22Å; V578-L582 HydrophobicContact CG1-CD1 3.89Å; V578-L582 HydrophobicContact CG1-CG 4.36Å; V578-L582 WeakPolarHBondContact O-CB 3.46Å; V578-L582 VanDerWaalsContact O-CG 3.31Å; V578-L582 WeakPolarHBondContact O-CG 3.41Å; V578-L582 PolarHBondContact O-N 2.91Å; G579-L582 PolarHBondContact O-N 3.44Å; S580-L582 VanDerWaalsContact C-N 3.32Å; S580-L582 PolarHBondContact O-N 3.19Å; L582-N584 VanDerWaalsContact C-N 3.25Å; L582-N584 PolarHBondContact O-N 3.09Å; L582-C585 CarbonylContact O-C 3.56Å; L582-C585 PolarHBondContact O-N 3.36Å; L582-C585 VanDerWaalsContact O-N 3.07Å; L582-T586 WeakPolarHBondContact O-CG2 2.83Å; L582-T586 PolarHBondContact O-N 3.49Å; L582-T586 PolarHBondContact O-OG1 3.2Å; L582-L628 HydrophobicContact CD2-CD2 4.26Å; L582-V633 HydrophobicContact CD1-CG2 3.95Å; L582-V633 HydrophobicContact CD2-CG2 3.99Å; L582-L637 HydrophobicContact CD1-CD2 3.89Å; L582-V659 HydrophobicContact CB-CG1 4.49Å; L582-V659 HydrophobicContact CB-CG2 3.85Å |
| 583 | V | 90.6 | Very high | 82.5 | Confident | 5 Ų | 5 | 38.7 Ų | 38.7 | 3% | 0.03 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.9 | -40.1 | 176 | 167.6 | 0 | 0 | 0 | 0 | 111.6 | G579 S580 T586 N587 S588 Y589 F655 R658 V659 | G579-V583 WeakPolarHBondContact O-CG2 3.15Å; G579-V583 PolarHBondContact O-N 3.48Å; S580-V583 PolarHBondContact O-N 3.36Å; V583-T586 PolarHBondContact O-N 3.25Å; V583-T586 PolarHBondContact O-OG1 3.44Å; V583-N587 PolarHBondContact O-N 3.29Å; V583-S588 PolarHBondContact O-N 3.28Å; V583-S588 VanDerWaalsContact O-N 3.08Å; V583-Y589 HydrophobicContact CG1-CD1 4.32Å; V583-F655 HydrophobicContact CG2-CB 3.59Å; V583-F655 HydrophobicContact CG2-CD1 3.86Å; V583-F655 HydrophobicContact CG2-CG 3.85Å; V583-R658 HydrophobicContact CG2-CB 4.49Å; V583-V659 HydrophobicContact CG2-CG2 3.74Å |
| 584 | N | 89 | Confident | 82 | Confident | 6 Ų | 6 | 41.4 Ų | 41.4 | 3% | 0.032 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.6 | -41.8 | 175.2 | -70.1 | -13.2 | 0 | 0 | 0 | 111.5 | A541 T544 K550 S580 T581 L582 T586 N587 | A541-N584 PolarHBondContact O-ND2 3.39Å; T544-N584 PolarHBondContact OG1-ND2 2.67Å; K550-N584 WeakPolarHBondContact CD-O 3.5Å; K550-N584 VanDerWaalsContact CE-O 3.29Å; K550-N584 WeakPolarHBondContact CE-O 3.43Å; S580-N584 WeakPolarHBondContact O-CB 3.39Å; S580-N584 PolarHBondContact O-N 3.01Å; S580-N584 PolarHBondContact O-ND2 2.85Å; T581-N584 PolarHBondContact O-N 2.9Å; L582-N584 VanDerWaalsContact C-N 3.25Å; L582-N584 PolarHBondContact O-N 3.09Å; N584-T586 VanDerWaalsContact C-N 3.31Å; N584-T586 PolarHBondContact O-N 2.99Å; N584-N587 PolarHBondContact O-N 2.66Å; N584-N587 PolarHBondContact O-OD1 2.91Å |
| 585 | C | 88.8 | Confident | 81.4 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.014 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -70.2 | -24.8 | 177.9 | -67.3 | 0 | 0 | 0 | 0 | 113.5 | V554 T581 L582 R624 L628 | V554-C585 HydrophobicContact CG2-CB 4.33Å; T581-C585 WeakPolarHBondContact O-CB 3.46Å; T581-C585 PolarHBondContact O-N 3.23Å; T581-C585 PolarHBondContact O-SG 3.36Å; L582-C585 CarbonylContact O-C 3.56Å; L582-C585 PolarHBondContact O-N 3.36Å; L582-C585 VanDerWaalsContact O-N 3.07Å; C585-R624 PolarHBondContact O-NH1 3.06Å; C585-L628 HydrophobicContact CB-CD1 4.41Å |
| 586 | T | 87.9 | Confident | 80.8 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 3% | 0.025 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 4.4 | 177.6 | 62 | 0 | 0 | 0 | 0 | 113.5 | L582 V583 N584 S588 L625 L628 V659 | L582-T586 WeakPolarHBondContact O-CG2 2.83Å; L582-T586 PolarHBondContact O-N 3.49Å; L582-T586 PolarHBondContact O-OG1 3.2Å; V583-T586 PolarHBondContact O-N 3.25Å; V583-T586 PolarHBondContact O-OG1 3.44Å; N584-T586 VanDerWaalsContact C-N 3.31Å; N584-T586 PolarHBondContact O-N 2.99Å; T586-S588 WeakPolarHBondContact CB-OG 3.39Å; T586-S588 PolarHBondContact O-N 2.98Å; T586-S588 VanDerWaalsContact O-N 3.13Å; T586-S588 PolarHBondContact O-OG 3.01Å; T586-S588 VanDerWaalsContact O-OG 3.06Å; T586-S588 PolarHBondContact OG1-OG 3.49Å; T586-L625 HydrophobicContact CG2-CD2 3.49Å; T586-L625 VanDerWaalsContact CG2-CD2 3.49Å; T586-L628 HydrophobicContact CG2-CD1 3.9Å; T586-V659 HydrophobicContact CG2-CG1 4.3Å |
| 587 | N | 88.3 | Confident | 80.2 | Confident | 36 Ų | 36 | 52.2 Ų | 52.2 | 19% | 0.193 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 46.4 | 40.2 | -176 | -68.2 | 14.5 | 0 | 0 | 0 | 113.2 | K550 V583 N584 Y589 D616 V621 R624 | K550-N587 PolarHBondContact NZ-OD1 3.45Å; V583-N587 PolarHBondContact O-N 3.29Å; N584-N587 PolarHBondContact O-N 2.66Å; N584-N587 PolarHBondContact O-OD1 2.91Å; N587-Y589 HydrophobicContact CB-CE1 4.37Å; N587-D616 VanDerWaalsContact ND2-CB 3.34Å; N587-D616 WeakPolarHBondContact ND2-CB 3.26Å; N587-D616 PolarHBondContact ND2-O 3.34Å; N587-D616 PolarHBondContact ND2-OD1 3.03Å; N587-D616 PolarHBondContact OD1-OD1 3.06Å; N587-V621 HydrophobicContact CB-CG2 4.21Å; N587-R624 PolarHBondContact OD1-NH1 2.92Å; N587-R624 VanDerWaalsContact OD1-NH1 3.14Å |
| 588 | S | 83.8 | Confident | 79.2 | Confident | 21 Ų | 21 | 57.2 Ų | 57.2 | 15% | 0.147 | 30% | 0.299 | C | S | . | . | trans | -96.3 | 14 | -172.6 | -47.6 | 0 | 0 | 0 | 0 | 114.1 | V583 T586 R658 A662 | V583-S588 PolarHBondContact O-N 3.28Å; V583-S588 VanDerWaalsContact O-N 3.08Å; T586-S588 WeakPolarHBondContact CB-OG 3.39Å; T586-S588 PolarHBondContact O-N 2.98Å; T586-S588 VanDerWaalsContact O-N 3.13Å; T586-S588 PolarHBondContact O-OG 3.01Å; T586-S588 VanDerWaalsContact O-OG 3.06Å; T586-S588 PolarHBondContact OG1-OG 3.49Å; S588-R658 WeakPolarHBondContact O-CD 3.16Å; S588-R658 PolarHBondContact O-NH1 2.93Å; S588-A662 WeakPolarHBondContact OG-CB 3.31Å | ||
| 589 | Y | 81.5 | Confident | 78.2 | Confident | 59 Ų | 59 | 58.6 Ų | 58.6 | 23% | 0.231 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -79.8 | 154.3 | 172.1 | 48.2 | -94.2 | 0 | 0 | 0 | 110.9 | T500 K550 V583 N587 V591 | T500-Y589 HydrophobicContact CG2-CE2 4.26Å; K550-Y589 PolarHBondContact NZ-OH 3.29Å; V583-Y589 HydrophobicContact CG1-CD1 4.32Å; N587-Y589 HydrophobicContact CB-CE1 4.37Å; Y589-V591 HydrophobicContact CD2-CG2 3.81Å; Y589-V591 HydrophobicContact CE2-CG2 3.69Å; Y589-V591 PolarHBondContact O-N 3.34Å |
| 590 | D | 70.4 | Confident | 77.4 | Confident | 98 Ų | 98 | 65.1 Ų | 65.1 | 52% | 0.524 | 34% | 0.337 | S | S | . | . | trans | -74.7 | 123 | 177.8 | -61.4 | -33.8 | 0 | 0 | 0 | 109.3 | R658 | D590-R658 VanDerWaalsContact CG-NH1 3.27Å; D590-R658 IonicContact OD1-CZ 3.43Å; D590-R658 IonicContact OD1-NH1 3.77Å; D590-R658 PolarHBondContact OD1-NH1 3.39Å; D590-R658 IonicContact OD1-NH2 3.76Å; D590-R658 IonicContact OD2-CZ 3.69Å; D590-R658 IonicContact OD2-NH1 2.62Å; D590-R658 PolarHBondContact OD2-NH1 3Å; D590-R658 IonicContact OD2-NH2 2.81Å; D590-R658 PolarHBondContact OD2-NH2 3.47Å | ||
| 591 | V | 67.4 | Low | 76.6 | Confident | 80 Ų | 80 | 69.3 Ų | 69.3 | 49% | 0.485 | 36% | 0.357 | S | S | . | . | trans | -102.1 | 111.9 | 171.3 | -176.9 | 0 | 0 | 0 | 0 | 106.8 | Y589 K593 | Y589-V591 HydrophobicContact CD2-CG2 3.81Å; Y589-V591 HydrophobicContact CE2-CG2 3.69Å; Y589-V591 PolarHBondContact O-N 3.34Å; V591-K593 PolarHBondContact O-N 3.17Å | ||
| 592 | E | 60.1 | Low | 75.6 | Confident | 187 Ų | 187 | 70.4 Ų | 70.4 | 87% | 0.874 | 37% | 0.367 | S | S | * | . | trans | -64.6 | 102.6 | 166 | -73.8 | -175.6 | 177.1 | 0 | 0 | 107.2 | P594 | E592-P594 WeakPolarHBondContact O-CD 3.49Š| ||
| 593 | K | 61.5 | Low | 74.7 | Confident | 180 Ų | 180 | 76.9 Ų | 76.9 | 78% | 0.783 | 40% | 0.395 | S | S | * | . | trans | -72 | 112.4 | 174.4 | -69.7 | -174.6 | 179.3 | -177.2 | 0 | 107.4 | V591 | V591-K593 PolarHBondContact O-N 3.17Š| ||
| 594 | P | 64 | Low | 74 | Confident | 78 Ų | 78 | 86.5 Ų | 86.5 | 51% | 0.506 | 43% | 0.432 | S | S | . | . | trans | -61.6 | 144.2 | 176.4 | 25.2 | -32.2 | 0 | 0 | 0 | 109.6 | E592 V599 | E592-P594 WeakPolarHBondContact O-CD 3.49Å; P594-V599 HydrophobicContact CB-CG2 3.69Å; P594-V599 HydrophobicContact CG-CG2 3.5Å | ||
| 595 | D | 71.1 | Confident | 73.3 | Confident | 77 Ų | 77 | 89.2 Ų | 89.2 | 41% | 0.412 | 46% | 0.455 | S | S | . | . | trans | -53.1 | 128.6 | 176.3 | -173.2 | -37.4 | 0 | 0 | 0 | 109.2 | Q597 L598 V599 | D595-Q597 PolarHBondContact O-N 3.08Å; D595-Q597 WeakPolarHBondContact OD1-CB 3.25Å; D595-Q597 PolarHBondContact OD1-N 2.93Å; D595-L598 HydrophobicContact CB-CB 4.07Å; D595-L598 HydrophobicContact CB-CD1 3.76Å; D595-L598 HydrophobicContact CB-CG 3.87Å; D595-L598 WeakPolarHBondContact O-CA 3.38Å; D595-L598 WeakPolarHBondContact O-CB 3.42Å; D595-L598 PolarHBondContact O-N 3.44Å; D595-V599 PolarHBondContact O-N 3.39Å | ||
| 596 | P | 71.3 | Confident | 72.7 | Confident | 99 Ų | 99 | 98.5 Ų | 98.5 | 64% | 0.643 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -48.2 | -36.7 | 177.8 | -27.2 | 32.7 | 0 | 0 | 0 | 113.5 | V599 E600 | P596-V599 PolarHBondContact O-N 2.83Å; P596-E600 PolarHBondContact O-N 3Å; P596-E600 VanDerWaalsContact O-N 3.13Å |
| 597 | Q | 72.3 | Confident | 71.8 | Confident | 139 Ų | 139 | 105 Ų | 105 | 65% | 0.65 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -70.1 | -38 | 178.1 | -60.8 | -178.6 | 9.2 | 0 | 0 | 112.1 | D595 V599 E600 L601 | D595-Q597 PolarHBondContact O-N 3.08Å; D595-Q597 WeakPolarHBondContact OD1-CB 3.25Å; D595-Q597 PolarHBondContact OD1-N 2.93Å; Q597-V599 VanDerWaalsContact C-N 3.34Å; Q597-E600 PolarHBondContact O-N 3.01Å; Q597-L601 WeakPolarHBondContact O-CB 3.49Å; Q597-L601 VanDerWaalsContact O-CG 3.29Å; Q597-L601 WeakPolarHBondContact O-CG 3.35Å; Q597-L601 PolarHBondContact O-N 3.45Å |
| 598 | L | 66.4 | Low | 70.6 | Confident | 109 Ų | 109 | 107.9 Ų | 107.9 | 57% | 0.571 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.6 | -33.5 | 175.6 | -69.8 | 173.8 | 0 | 0 | 0 | 111.8 | D595 L601 A602 | D595-L598 HydrophobicContact CB-CB 4.07Å; D595-L598 HydrophobicContact CB-CD1 3.76Å; D595-L598 HydrophobicContact CB-CG 3.87Å; D595-L598 WeakPolarHBondContact O-CA 3.38Å; D595-L598 WeakPolarHBondContact O-CB 3.42Å; D595-L598 PolarHBondContact O-N 3.44Å; L598-L601 HydrophobicContact CD2-CD1 4.47Å; L598-L601 PolarHBondContact O-N 3.23Å; L598-A602 WeakPolarHBondContact O-CB 3.44Å; L598-A602 PolarHBondContact O-N 2.9Å |
| 599 | V | 69.1 | Low | 69.6 | Low | 28 Ų | 28 | 108.4 Ų | 108.4 | 17% | 0.17 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -66.9 | -43.6 | 174.6 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | P594 D595 P596 Q597 L601 A602 K603 V609 | P594-V599 HydrophobicContact CB-CG2 3.69Å; P594-V599 HydrophobicContact CG-CG2 3.5Å; D595-V599 PolarHBondContact O-N 3.39Å; P596-V599 PolarHBondContact O-N 2.83Å; Q597-V599 VanDerWaalsContact C-N 3.34Å; V599-L601 VanDerWaalsContact C-N 3.35Å; V599-A602 PolarHBondContact O-N 3.37Å; V599-K603 HydrophobicContact CG1-CD 4.4Å; V599-K603 WeakPolarHBondContact O-CG 3.3Å; V599-K603 PolarHBondContact O-N 2.94Å; V599-V609 HydrophobicContact CG1-CG1 3.96Å |
| 600 | E | 71.3 | Confident | 68.8 | Low | 140 Ų | 140 | 109.7 Ų | 109.7 | 65% | 0.654 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.9 | -40.1 | 175.6 | -73.2 | -174.4 | 172.1 | 0 | 0 | 112.1 | P596 Q597 K603 Y604 | P596-E600 PolarHBondContact O-N 3Å; P596-E600 VanDerWaalsContact O-N 3.13Å; Q597-E600 PolarHBondContact O-N 3.01Å; E600-K603 PolarHBondContact O-N 2.87Å; E600-Y604 WeakPolarHBondContact O-CB 3.22Å; E600-Y604 PolarHBondContact O-N 3.26Å |
| 601 | L | 71.8 | Confident | 68.7 | Low | 106 Ų | 106 | 111.1 Ų | 111.1 | 56% | 0.555 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.8 | -39.9 | 173.5 | -73 | 168.3 | 0 | 0 | 0 | 112.4 | Q597 L598 V599 Y604 A605 | Q597-L601 WeakPolarHBondContact O-CB 3.49Å; Q597-L601 VanDerWaalsContact O-CG 3.29Å; Q597-L601 WeakPolarHBondContact O-CG 3.35Å; Q597-L601 PolarHBondContact O-N 3.45Å; L598-L601 HydrophobicContact CD2-CD1 4.47Å; L598-L601 PolarHBondContact O-N 3.23Å; V599-L601 VanDerWaalsContact C-N 3.35Å; L601-Y604 PolarHBondContact O-N 3.5Å; L601-A605 WeakPolarHBondContact O-CB 2.91Å; L601-A605 PolarHBondContact O-N 3.37Å |
| 602 | A | 68.7 | Low | 68.7 | Low | 24 Ų | 24 | 114.7 Ų | 114.7 | 20% | 0.198 | 57% | 0.571 | C | S | . | * | H | α-helix | trans | -64.4 | -42.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L598 V599 Y604 A605 K606 Q607 V609 | L598-A602 WeakPolarHBondContact O-CB 3.44Å; L598-A602 PolarHBondContact O-N 2.9Å; V599-A602 PolarHBondContact O-N 3.37Å; A602-Y604 VanDerWaalsContact C-N 3.34Å; A602-Y604 PolarHBondContact O-N 3.26Å; A602-A605 CarbonylContact O-C 3.58Å; A602-A605 PolarHBondContact O-N 2.96Å; A602-K606 PolarHBondContact O-N 3.38Å; A602-Q607 HydrophobicContact CB-CB 4.26Å; A602-Q607 PolarHBondContact O-N 3.32Å; A602-V609 HydrophobicContact CB-CG2 4.04Å |
| 603 | K | 74.2 | Confident | 69.4 | Low | 137 Ų | 137 | 107.3 Ų | 107.3 | 60% | 0.596 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -59.8 | -43.2 | 173 | -71.7 | 176.8 | -179 | 175.6 | 0 | 111.6 | V599 E600 K606 V609 | V599-K603 HydrophobicContact CG1-CD 4.4Å; V599-K603 WeakPolarHBondContact O-CG 3.3Å; V599-K603 PolarHBondContact O-N 2.94Å; E600-K603 PolarHBondContact O-N 2.87Å; K603-K606 PolarHBondContact O-N 3.01Å; K603-V609 HydrophobicContact CG-CG2 3.84Å |
| 604 | Y | 75.1 | Confident | 70.1 | Confident | 206 Ų | 206 | 103.4 Ų | 103.4 | 81% | 0.808 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.5 | -40.4 | 176.7 | -173.5 | -97.5 | 0 | 0 | 0 | 112.3 | E600 L601 A602 K606 | E600-Y604 WeakPolarHBondContact O-CB 3.22Å; E600-Y604 PolarHBondContact O-N 3.26Å; L601-Y604 PolarHBondContact O-N 3.5Å; A602-Y604 VanDerWaalsContact C-N 3.34Å; A602-Y604 PolarHBondContact O-N 3.26Å; Y604-K606 PolarHBondContact O-N 3.48Å |
| 605 | A | 75.3 | Confident | 70.9 | Confident | 64 Ų | 64 | 103.1 Ų | 103.1 | 53% | 0.529 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | 1 | 178 | 0 | 0 | 0 | 0 | 0 | 114 | L601 A602 Q607 | L601-A605 WeakPolarHBondContact O-CB 2.91Å; L601-A605 PolarHBondContact O-N 3.37Å; A602-A605 CarbonylContact O-C 3.58Å; A602-A605 PolarHBondContact O-N 2.96Å; A605-Q607 HydrophobicContact CB-CG 4.1Å; A605-Q607 PolarHBondContact O-N 3Å; A605-Q607 VanDerWaalsContact O-N 3.14Å |
| 606 | K | 74.8 | Confident | 71.5 | Confident | 196 Ų | 196 | 100.8 Ų | 100.8 | 85% | 0.852 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 28.4 | -171.6 | -57.5 | -178.6 | 179.7 | 179.8 | 0 | 113.2 | A602 K603 Y604 | A602-K606 PolarHBondContact O-N 3.38Å; K603-K606 PolarHBondContact O-N 3.01Å; Y604-K606 PolarHBondContact O-N 3.48Å |
| 607 | Q | 69.9 | Low | 72.1 | Confident | 140 Ų | 140 | 97.7 Ų | 97.7 | 65% | 0.654 | 49% | 0.49 | S | S | * | . | trans | -79.7 | 152.4 | 169.9 | -68.3 | -135 | -11.5 | 0 | 0 | 109.6 | A602 A605 V609 | A602-Q607 HydrophobicContact CB-CB 4.26Å; A602-Q607 PolarHBondContact O-N 3.32Å; A605-Q607 HydrophobicContact CB-CG 4.1Å; A605-Q607 PolarHBondContact O-N 3Å; A605-Q607 VanDerWaalsContact O-N 3.14Å; Q607-V609 PolarHBondContact O-N 3.02Å | ||
| 608 | H | 63.9 | Low | 72.6 | Confident | 97 Ų | 97 | 95.8 Ų | 95.8 | 45% | 0.449 | 49% | 0.49 | S | S | . | . | trans | -63.4 | 127.8 | -175.8 | -172.4 | 56.2 | 0 | 0 | 0 | 111.6 | D501 S503 | D501-H608 IonicContact OD1-NE2 3.83Å; D501-H608 IonicContact OD2-CD2 3.37Å; D501-H608 PolarHBondContact OD2-CD2 3.38Å; D501-H608 IonicContact OD2-CE1 3.2Å; D501-H608 IonicContact OD2-NE2 2.76Å; D501-H608 PolarHBondContact OD2-NE2 3.31Å; S503-H608 WeakPolarHBondContact CB-CE1 3.48Å; S503-H608 PolarHBondContact OG-CE1 3.41Å; S503-H608 PolarHBondContact OG-NE2 3.37Å | ||
| 609 | V | 62.6 | Low | 73.6 | Confident | 33 Ų | 33 | 93.6 Ų | 93.6 | 20% | 0.2 | 48% | 0.483 | C | S | . | . | trans | -111.2 | 122.5 | 178.5 | -179.4 | 0 | 0 | 0 | 0 | 108.4 | V599 A602 K603 Q607 E611 | V599-V609 HydrophobicContact CG1-CG1 3.96Å; A602-V609 HydrophobicContact CB-CG2 4.04Å; K603-V609 HydrophobicContact CG-CG2 3.84Å; Q607-V609 PolarHBondContact O-N 3.02Å; V609-E611 PolarHBondContact O-N 3.32Å | ||
| 610 | P | 64.6 | Low | 74.4 | Confident | 86 Ų | 86 | 95.9 Ų | 95.9 | 56% | 0.558 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 126.7 | 174.8 | -23.1 | 33.5 | 0 | 0 | 0 | 110.9 | ||
| 611 | E | 66.6 | Low | 75.2 | Confident | 127 Ų | 127 | 90.1 Ų | 90.1 | 59% | 0.593 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -101.6 | 132.1 | 176.5 | -68.7 | -173.5 | 168.3 | 0 | 0 | 110.6 | F502 V609 | F502-E611 WeakPolarHBondContact CB-O 3.39Å; V609-E611 PolarHBondContact O-N 3.32Å |
| 612 | E | 67.7 | Low | 75.9 | Confident | 156 Ų | 156 | 89.8 Ų | 89.8 | 73% | 0.729 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -82.3 | 139.1 | 173.7 | -70.1 | -173.5 | 172.7 | 0 | 0 | 111.1 | ||
| 613 | H | 74.5 | Confident | 76.8 | Confident | 32 Ų | 32 | 95.1 Ų | 95.1 | 15% | 0.148 | 48% | 0.48 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 140.6 | 178.6 | -164.8 | -96.2 | 0 | 0 | 0 | 111.7 | F502 A547 D548 K615 D616 | F502-H613 AromaticContact CD2-CD2 3.56Å; F502-H613 AromaticContact CE2-CD2 3.36Å; F502-H613 WeakPolarHBondContact CE2-CD2 3.45Å; F502-H613 AromaticContact CE2-NE2 3.89Å; A547-H613 HydrophobicContact CB-CB 3.78Å; A547-H613 VanDerWaalsContact CB-ND1 3.28Å; A547-H613 WeakPolarHBondContact CB-ND1 3.42Å; D548-H613 IonicContact OD1-CE1 3.34Å; H613-K615 WeakPolarHBondContact ND1-CB 3.37Å; H613-K615 PolarHBondContact ND1-N 3.3Å; H613-K615 VanDerWaalsContact ND1-N 3.18Å; H613-K615 PolarHBondContact O-N 3.46Å; H613-K615 VanDerWaalsContact O-N 3.1Å; H613-D616 PolarHBondContact O-N 2.86Å |
| 614 | P | 78 | Confident | 77.7 | Confident | 97 Ų | 97 | 88.6 Ų | 88.6 | 63% | 0.63 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -55.6 | -32.9 | 178.6 | -27.9 | 34.7 | 0 | 0 | 0 | 114.8 | D616 A617 | P614-D616 VanDerWaalsContact C-N 3.25Å; P614-D616 PolarHBondContact O-N 3.11Å; P614-A617 WeakPolarHBondContact O-CB 3.04Å; P614-A617 PolarHBondContact O-N 3.2Å |
| 615 | K | 80.5 | Confident | 78.3 | Confident | 72 Ų | 72 | 79.3 Ų | 79.3 | 31% | 0.313 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -78.1 | -4.8 | 178.5 | -61.3 | 178.2 | 174 | 177.5 | 0 | 114.2 | A547 D548 E551 H613 F620 R624 | A547-K615 HydrophobicContact CB-CB 4.12Å; D548-K615 WeakPolarHBondContact OD1-CD 3.46Å; D548-K615 WeakPolarHBondContact OD1-CE 3.37Å; D548-K615 IonicContact OD1-NZ 3.7Å; D548-K615 PolarHBondContact OD1-NZ 2.91Å; E551-K615 HydrophobicContact CG-CB 4.32Å; E551-K615 HydrophobicContact CG-CD 3.94Å; H613-K615 WeakPolarHBondContact ND1-CB 3.37Å; H613-K615 PolarHBondContact ND1-N 3.3Å; H613-K615 VanDerWaalsContact ND1-N 3.18Å; H613-K615 PolarHBondContact O-N 3.46Å; H613-K615 VanDerWaalsContact O-N 3.1Å; K615-F620 VanDerWaalsContact O-CB 3.24Å; K615-F620 WeakPolarHBondContact O-CB 3.48Å; K615-R624 PolarHBondContact O-NH2 2.6Å |
| 616 | D | 83.3 | Confident | 79 | Confident | 29 Ų | 29 | 77 Ų | 77 | 16% | 0.155 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -96.1 | 4.3 | 172.6 | -83.5 | -29.3 | 0 | 0 | 0 | 113.1 | K550 N587 H613 P614 R624 | K550-D616 IonicContact NZ-OD1 3.94Å; K550-D616 PolarHBondContact NZ-OD1 3.3Å; K550-D616 IonicContact NZ-OD2 3.65Å; K550-D616 PolarHBondContact NZ-OD2 2.74Å; N587-D616 VanDerWaalsContact ND2-CB 3.34Å; N587-D616 WeakPolarHBondContact ND2-CB 3.26Å; N587-D616 PolarHBondContact ND2-O 3.34Å; N587-D616 PolarHBondContact ND2-OD1 3.03Å; N587-D616 PolarHBondContact OD1-OD1 3.06Å; H613-D616 PolarHBondContact O-N 2.86Å; P614-D616 VanDerWaalsContact C-N 3.25Å; P614-D616 PolarHBondContact O-N 3.11Å; D616-R624 IonicContact OD1-CZ 3.89Å; D616-R624 IonicContact OD1-NH1 3.24Å; D616-R624 IonicContact OD1-NH2 2.84Å; D616-R624 PolarHBondContact OD1-NH2 3.17Å |
| 617 | A | 83.9 | Confident | 79.7 | Confident | 34 Ų | 34 | 71.2 Ų | 71.2 | 28% | 0.281 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -63.7 | 151.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | P614 S619 F620 V621 | P614-A617 WeakPolarHBondContact O-CB 3.04Å; P614-A617 PolarHBondContact O-N 3.2Å; A617-S619 VanDerWaalsContact C-N 3.26Å; A617-S619 PolarHBondContact O-N 2.85Å; A617-S619 VanDerWaalsContact O-N 3.09Å; A617-F620 HydrophobicContact CB-CD2 4.36Å; A617-F620 PolarHBondContact O-N 3.37Å; A617-V621 PolarHBondContact O-N 3.28Å |
| 618 | P | 82.7 | Confident | 80.7 | Confident | 98 Ų | 98 | 64.6 Ų | 64.6 | 64% | 0.636 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -52.4 | -38.3 | -173.7 | -29 | 34.9 | 0 | 0 | 0 | 114.8 | F620 V621 E622 | P618-F620 VanDerWaalsContact C-N 3.33Å; P618-F620 PolarHBondContact O-N 3.26Å; P618-V621 PolarHBondContact O-N 2.99Å; P618-E622 WeakPolarHBondContact O-CG 3.27Å; P618-E622 PolarHBondContact O-N 3.08Å |
| 619 | S | 86.5 | Confident | 82 | Confident | 63 Ų | 63 | 60.7 Ų | 60.7 | 44% | 0.441 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.1 | -30.8 | -179.3 | 59.2 | 0 | 0 | 0 | 0 | 114.1 | A617 K623 | A617-S619 VanDerWaalsContact C-N 3.26Å; A617-S619 PolarHBondContact O-N 2.85Å; A617-S619 VanDerWaalsContact O-N 3.09Å; S619-K623 WeakPolarHBondContact O-CG 3.46Å; S619-K623 PolarHBondContact O-N 3.3Å |
| 620 | F | 87.4 | Confident | 83.2 | Confident | 76 Ų | 76 | 66.6 Ų | 66.6 | 33% | 0.333 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -78 | -38.9 | 173.8 | -73.8 | -87.2 | 0 | 0 | 0 | 110.9 | K615 A617 P618 E622 K623 R624 | K615-F620 VanDerWaalsContact O-CB 3.24Å; K615-F620 WeakPolarHBondContact O-CB 3.48Å; A617-F620 HydrophobicContact CB-CD2 4.36Å; A617-F620 PolarHBondContact O-N 3.37Å; P618-F620 VanDerWaalsContact C-N 3.33Å; P618-F620 PolarHBondContact O-N 3.26Å; F620-E622 VanDerWaalsContact C-N 3.33Å; F620-E622 PolarHBondContact O-N 3.09Å; F620-K623 PolarHBondContact O-N 2.93Å; F620-R624 PolarHBondContact O-N 3.01Å |
| 621 | V | 87.1 | Confident | 84.4 | Confident | 19 Ų | 19 | 63 Ų | 63 | 12% | 0.115 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60 | -43.7 | 175.1 | -179.7 | 0 | 0 | 0 | 0 | 110.8 | N587 A617 P618 K623 R624 L625 | N587-V621 HydrophobicContact CB-CG2 4.21Å; A617-V621 PolarHBondContact O-N 3.28Å; P618-V621 PolarHBondContact O-N 2.99Å; V621-K623 VanDerWaalsContact C-N 3.35Å; V621-K623 PolarHBondContact O-N 2.96Å; V621-R624 WeakPolarHBondContact O-CB 3.3Å; V621-R624 PolarHBondContact O-N 3.11Å; V621-R624 VanDerWaalsContact O-N 3.17Å; V621-L625 HydrophobicContact CG1-CD1 4.1Å; V621-L625 HydrophobicContact CG1-CG 4.39Å; V621-L625 WeakPolarHBondContact O-CG 3.27Å; V621-L625 PolarHBondContact O-N 3.44Å |
| 622 | E | 86.7 | Confident | 85.5 | Confident | 99 Ų | 99 | 57.6 Ų | 57.6 | 46% | 0.463 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.1 | -42.7 | 176.2 | -75.5 | 172.9 | -171 | 0 | 0 | 112.8 | P618 F620 L625 G626 | P618-E622 WeakPolarHBondContact O-CG 3.27Å; P618-E622 PolarHBondContact O-N 3.08Å; F620-E622 VanDerWaalsContact C-N 3.33Å; F620-E622 PolarHBondContact O-N 3.09Å; E622-L625 PolarHBondContact O-N 3.46Å; E622-G626 PolarHBondContact O-N 3.19Å; E622-G626 VanDerWaalsContact O-N 3.11Å |
| 623 | K | 88.4 | Confident | 86.6 | Confident | 136 Ų | 136 | 50.1 Ų | 50.1 | 59% | 0.591 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -65.1 | -39.8 | 175.8 | -71.9 | 176.3 | -177.9 | 177.2 | 0 | 111.8 | S619 F620 V621 G626 K627 | S619-K623 WeakPolarHBondContact O-CG 3.46Å; S619-K623 PolarHBondContact O-N 3.3Å; F620-K623 PolarHBondContact O-N 2.93Å; V621-K623 VanDerWaalsContact C-N 3.35Å; V621-K623 PolarHBondContact O-N 2.96Å; K623-G626 PolarHBondContact O-N 2.91Å; K623-K627 PolarHBondContact O-N 3.14Å |
| 624 | R | 91.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 175 | -77.4 | -172.6 | -92.9 | 154.3 | -14.6 | 111.5 | K550 E551 V554 C585 N587 K615 D616 F620 V621 G626 K627 L628 | K550-R624 VanDerWaalsContact CD-NH1 3.34Å; E551-R624 WeakPolarHBondContact OE1-CD 3.48Å; E551-R624 WeakPolarHBondContact OE1-CG 3.43Å; E551-R624 IonicContact OE1-CZ 2.74Å; E551-R624 IonicContact OE1-NE 3.1Å; E551-R624 PolarHBondContact OE1-NE 2.96Å; V554-R624 HydrophobicContact CB-CG 4.3Å; V554-R624 HydrophobicContact CG1-CB 4.24Å; V554-R624 HydrophobicContact CG1-CG 4.21Å; V554-R624 HydrophobicContact CG2-CB 4.46Å; V554-R624 HydrophobicContact CG2-CG 4.22Å; C585-R624 PolarHBondContact O-NH1 3.06Å; N587-R624 PolarHBondContact OD1-NH1 2.92Å; N587-R624 VanDerWaalsContact OD1-NH1 3.14Å; K615-R624 PolarHBondContact O-NH2 2.6Å; D616-R624 IonicContact OD1-CZ 3.89Å; D616-R624 IonicContact OD1-NH1 3.24Å; D616-R624 IonicContact OD1-NH2 2.84Å; D616-R624 PolarHBondContact OD1-NH2 3.17Å; F620-R624 PolarHBondContact O-N 3.01Å; V621-R624 WeakPolarHBondContact O-CB 3.3Å; V621-R624 PolarHBondContact O-N 3.11Å; V621-R624 VanDerWaalsContact O-N 3.17Å; R624-G626 PolarHBondContact O-N 3.43Å; R624-K627 PolarHBondContact O-N 3.46Å; R624-L628 WeakPolarHBondContact O-CG 3.35Å; R624-L628 PolarHBondContact O-N 2.93Å |
| 625 | L | 89.4 | Confident | 88 | Confident | 12 Ų | 12 | 46.1 Ų | 46.1 | 6% | 0.063 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.5 | -44.4 | 178.3 | -71.2 | 168.5 | 0 | 0 | 0 | 111.8 | T586 V621 E622 K627 L628 L629 A662 L663 | T586-L625 HydrophobicContact CG2-CD2 3.49Å; T586-L625 VanDerWaalsContact CG2-CD2 3.49Å; V621-L625 HydrophobicContact CG1-CD1 4.1Å; V621-L625 HydrophobicContact CG1-CG 4.39Å; V621-L625 WeakPolarHBondContact O-CG 3.27Å; V621-L625 PolarHBondContact O-N 3.44Å; E622-L625 PolarHBondContact O-N 3.46Å; L625-K627 PolarHBondContact O-N 3.28Å; L625-L628 PolarHBondContact O-N 3.41Å; L625-L629 WeakPolarHBondContact O-CG 3.3Å; L625-L629 PolarHBondContact O-N 3.2Å; L625-A662 HydrophobicContact CD2-CB 4.11Å; L625-L663 HydrophobicContact CD2-CD2 3.81Å; L625-L663 HydrophobicContact CD2-CG 4.45Å |
| 626 | G | 88.6 | Confident | 88.4 | Confident | 15 Ų | 15 | 42.7 Ų | 42.7 | 16% | 0.155 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.1 | -48.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E622 K623 R624 L628 L629 E630 | E622-G626 PolarHBondContact O-N 3.19Å; E622-G626 VanDerWaalsContact O-N 3.11Å; K623-G626 PolarHBondContact O-N 2.91Å; R624-G626 PolarHBondContact O-N 3.43Å; G626-L628 VanDerWaalsContact C-N 3.35Å; G626-L628 PolarHBondContact O-N 2.85Å; G626-L629 WeakPolarHBondContact O-CB 3.23Å; G626-L629 PolarHBondContact O-N 3.16Å; G626-E630 WeakPolarHBondContact O-CG 3.37Å; G626-E630 PolarHBondContact O-N 2.87Å |
| 627 | K | 90.3 | Very high | 88.7 | Confident | 74 Ų | 74 | 41.4 Ų | 41.4 | 32% | 0.322 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.4 | -39 | 177 | -71.5 | 177.6 | 178.3 | 176.2 | 0 | 112.7 | V554 E555 K623 R624 L625 E630 A631 | V554-K627 HydrophobicContact CG1-CB 3.57Å; V554-K627 HydrophobicContact CG1-CD 3.88Å; V554-K627 HydrophobicContact CG1-CG 4.38Å; E555-K627 VanDerWaalsContact CG-NZ 3.29Å; E555-K627 IonicContact OE1-NZ 2.67Å; E555-K627 PolarHBondContact OE1-NZ 3.34Å; K623-K627 PolarHBondContact O-N 3.14Å; R624-K627 PolarHBondContact O-N 3.46Å; L625-K627 PolarHBondContact O-N 3.28Å; K627-E630 PolarHBondContact O-N 3.42Å; K627-A631 WeakPolarHBondContact O-CB 3.4Å; K627-A631 PolarHBondContact O-N 3.49Å |
| 628 | L | 91.3 | Very high | 89 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.3 | -38.2 | 176.5 | -72.8 | 170.8 | 0 | 0 | 0 | 112.2 | V554 L560 F564 L582 C585 T586 R624 L625 G626 A631 G632 V633 | V554-L628 HydrophobicContact CG1-CG 4.32Å; V554-L628 HydrophobicContact CG2-CD2 4.31Å; V554-L628 HydrophobicContact CG2-CG 4.41Å; L560-L628 HydrophobicContact CD1-CD2 4.13Å; L560-L628 HydrophobicContact CD2-CD2 3.92Å; F564-L628 HydrophobicContact CZ-CD2 4.48Å; L582-L628 HydrophobicContact CD2-CD2 4.26Å; C585-L628 HydrophobicContact CB-CD1 4.41Å; T586-L628 HydrophobicContact CG2-CD1 3.9Å; R624-L628 WeakPolarHBondContact O-CG 3.35Å; R624-L628 PolarHBondContact O-N 2.93Å; L625-L628 PolarHBondContact O-N 3.41Å; G626-L628 VanDerWaalsContact C-N 3.35Å; G626-L628 PolarHBondContact O-N 2.85Å; L628-A631 PolarHBondContact O-N 3.07Å; L628-G632 PolarHBondContact O-N 2.87Å; L628-V633 HydrophobicContact CB-CB 4.38Å; L628-V633 HydrophobicContact CB-CG1 4.16Å; L628-V633 WeakPolarHBondContact O-CB 3.28Å; L628-V633 VanDerWaalsContact O-CG1 3.31Å; L628-V633 WeakPolarHBondContact O-CG1 3.37Å; L628-V633 PolarHBondContact O-N 3.11Å; L628-V633 VanDerWaalsContact O-N 3.15Å |
| 629 | L | 89.9 | Confident | 89.1 | Confident | 16 Ų | 16 | 36.6 Ų | 36.6 | 8% | 0.084 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.8 | -45.2 | 174.9 | -74.7 | 168.5 | 0 | 0 | 0 | 111.9 | L625 G626 A631 G632 V633 V634 L663 D669 | L625-L629 WeakPolarHBondContact O-CG 3.3Å; L625-L629 PolarHBondContact O-N 3.2Å; G626-L629 WeakPolarHBondContact O-CB 3.23Å; G626-L629 PolarHBondContact O-N 3.16Å; L629-A631 VanDerWaalsContact C-N 3.25Å; L629-A631 PolarHBondContact O-N 3.27Å; L629-G632 PolarHBondContact O-N 3.23Å; L629-V633 HydrophobicContact CD2-CG1 4.34Å; L629-V634 HydrophobicContact CD2-CG2 3.88Å; L629-L663 HydrophobicContact CD1-CD2 4.36Å; L629-L663 HydrophobicContact CD2-CB 4.47Å; L629-L663 HydrophobicContact CD2-CD1 4.49Å; L629-L663 HydrophobicContact CD2-CD2 3.8Å; L629-L663 HydrophobicContact CD2-CG 4.48Å; L629-L663 HydrophobicContact CG-CD2 3.8Å; L629-D669 HydrophobicContact CD1-CB 3.51Å |
| 630 | E | 88.9 | Confident | 88.9 | Confident | 157 Ų | 157 | 33.7 Ų | 33.7 | 73% | 0.734 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -62.3 | -31.9 | 175 | -71.3 | 178.2 | -170.5 | 0 | 0 | 112.8 | G626 K627 G632 | G626-E630 WeakPolarHBondContact O-CG 3.37Å; G626-E630 PolarHBondContact O-N 2.87Å; K627-E630 PolarHBondContact O-N 3.42Å; E630-G632 PolarHBondContact O-N 3.16Å |
| 631 | A | 89.4 | Confident | 88.7 | Confident | 9 Ų | 9 | 31 Ų | 31 | 7% | 0.074 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -8.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L560 F564 K627 L628 L629 | L560-A631 HydrophobicContact CB-CB 4.3Å; L560-A631 HydrophobicContact CD1-CB 3.88Å; F564-A631 WeakPolarHBondContact CD2-O 3.38Å; F564-A631 HydrophobicContact CE2-CB 3.85Å; F564-A631 WeakPolarHBondContact CE2-O 3.43Å; K627-A631 WeakPolarHBondContact O-CB 3.4Å; K627-A631 PolarHBondContact O-N 3.49Å; L628-A631 PolarHBondContact O-N 3.07Å; L629-A631 VanDerWaalsContact C-N 3.25Å; L629-A631 PolarHBondContact O-N 3.27Å |
| 632 | G | 89.2 | Confident | 87.9 | Confident | 14 Ų | 14 | 36.5 Ų | 36.5 | 14% | 0.144 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.5 | 30.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L628 L629 E630 V634 S635 | L628-G632 PolarHBondContact O-N 2.87Å; L629-G632 PolarHBondContact O-N 3.23Å; E630-G632 PolarHBondContact O-N 3.16Å; G632-V634 PolarHBondContact O-N 2.86Å; G632-S635 PolarHBondContact O-N 2.77Å; G632-S635 VanDerWaalsContact O-N 3.14Å; G632-S635 PolarHBondContact O-OG 2.68Å |
| 633 | V | 91.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -53.2 | -37 | -180 | 67.5 | 0 | 0 | 0 | 0 | 113.3 | F564 L582 L628 L629 S635 A636 L637 L663 | F564-V633 HydrophobicContact CE1-CB 4.23Å; F564-V633 HydrophobicContact CE1-CG2 3.98Å; F564-V633 HydrophobicContact CE2-CB 4.22Å; F564-V633 HydrophobicContact CZ-CB 3.67Å; F564-V633 HydrophobicContact CZ-CG2 3.87Å; L582-V633 HydrophobicContact CD1-CG2 3.95Å; L582-V633 HydrophobicContact CD2-CG2 3.99Å; L628-V633 HydrophobicContact CB-CB 4.38Å; L628-V633 HydrophobicContact CB-CG1 4.16Å; L628-V633 WeakPolarHBondContact O-CB 3.28Å; L628-V633 VanDerWaalsContact O-CG1 3.31Å; L628-V633 WeakPolarHBondContact O-CG1 3.37Å; L628-V633 PolarHBondContact O-N 3.11Å; L628-V633 VanDerWaalsContact O-N 3.15Å; L629-V633 HydrophobicContact CD2-CG1 4.34Å; V633-S635 VanDerWaalsContact C-N 3.34Å; V633-S635 PolarHBondContact O-N 3.31Å; V633-A636 WeakPolarHBondContact O-CB 3.28Å; V633-A636 PolarHBondContact O-N 3.02Å; V633-A636 VanDerWaalsContact O-N 3.15Å; V633-L637 HydrophobicContact CG2-CD1 4.2Å; V633-L637 HydrophobicContact CG2-CG 4.28Å; V633-L637 WeakPolarHBondContact O-CG 3.45Å; V633-L637 PolarHBondContact O-N 3.44Å; V633-L663 HydrophobicContact CG1-CD1 3.81Å; V633-L663 HydrophobicContact CG1-CD2 4.03Å |
| 634 | V | 91.1 | Very high | 85.1 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.5 | -40.8 | -178.3 | 175.7 | 0 | 0 | 0 | 0 | 111 | L629 G632 A636 L637 V638 F660 L663 L673 Q676 | L629-V634 HydrophobicContact CD2-CG2 3.88Å; G632-V634 PolarHBondContact O-N 2.86Å; V634-A636 VanDerWaalsContact C-N 3.27Å; V634-A636 PolarHBondContact O-N 2.91Å; V634-L637 PolarHBondContact O-N 3.26Å; V634-V638 HydrophobicContact CG1-CG2 4.1Å; V634-V638 WeakPolarHBondContact O-CB 3.48Å; V634-V638 WeakPolarHBondContact O-CG2 3.47Å; V634-V638 PolarHBondContact O-N 2.76Å; V634-F660 HydrophobicContact CG1-CE1 4.17Å; V634-L663 HydrophobicContact CG2-CD1 4.13Å; V634-L673 HydrophobicContact CG1-CG 4.31Å; V634-L673 HydrophobicContact CG2-CB 4.36Å; V634-L673 HydrophobicContact CG2-CD1 4.1Å; V634-L673 HydrophobicContact CG2-CG 3.98Å; V634-Q676 HydrophobicContact CB-CB 3.97Å; V634-Q676 HydrophobicContact CG1-CB 3.56Å |
| 635 | S | 90.4 | Very high | 83.5 | Confident | 45 Ų | 45 | 34.5 Ų | 34.5 | 32% | 0.315 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -60.4 | -37.4 | 176.6 | 76.8 | 0 | 0 | 0 | 0 | 112.6 | G632 V633 C639 | G632-S635 PolarHBondContact O-N 2.77Å; G632-S635 VanDerWaalsContact O-N 3.14Å; G632-S635 PolarHBondContact O-OG 2.68Å; V633-S635 VanDerWaalsContact C-N 3.34Å; V633-S635 PolarHBondContact O-N 3.31Å; S635-C639 PolarHBondContact O-N 3.11Å |
| 636 | A | 89.4 | Confident | 81.7 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.4 | -50.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | F564 V633 V634 V638 C639 M640 | F564-A636 HydrophobicContact CB-CB 3.9Å; F564-A636 HydrophobicContact CD1-CB 3.74Å; F564-A636 HydrophobicContact CE1-CB 4.5Å; F564-A636 HydrophobicContact CG-CB 3.89Å; V633-A636 WeakPolarHBondContact O-CB 3.28Å; V633-A636 PolarHBondContact O-N 3.02Å; V633-A636 VanDerWaalsContact O-N 3.15Å; V634-A636 VanDerWaalsContact C-N 3.27Å; V634-A636 PolarHBondContact O-N 2.91Å; A636-V638 VanDerWaalsContact C-N 3.31Å; A636-V638 PolarHBondContact O-N 2.76Å; A636-C639 WeakPolarHBondContact O-CA 3.46Å; A636-C639 WeakPolarHBondContact O-CB 3.28Å; A636-C639 PolarHBondContact O-N 3.43Å; A636-M640 VanDerWaalsContact O-CG 3.32Å; A636-M640 WeakPolarHBondContact O-CG 3.49Å; A636-M640 PolarHBondContact O-N 3.36Å |
| 637 | L | 89.7 | Confident | 80.1 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.2 | -41.4 | 178 | -64.6 | 176.1 | 0 | 0 | 0 | 112.3 | L582 V633 V634 C639 M640 V641 I656 V659 F660 L663 | L582-L637 HydrophobicContact CD1-CD2 3.89Å; V633-L637 HydrophobicContact CG2-CD1 4.2Å; V633-L637 HydrophobicContact CG2-CG 4.28Å; V633-L637 WeakPolarHBondContact O-CG 3.45Å; V633-L637 PolarHBondContact O-N 3.44Å; V634-L637 PolarHBondContact O-N 3.26Å; L637-C639 VanDerWaalsContact C-N 3.29Å; L637-C639 PolarHBondContact O-N 2.92Å; L637-M640 HydrophobicContact CD2-SD 4.13Å; L637-M640 WeakPolarHBondContact O-CB 3.3Å; L637-M640 PolarHBondContact O-N 3.45Å; L637-M640 VanDerWaalsContact O-N 3.17Å; L637-V641 WeakPolarHBondContact O-CG2 3.33Å; L637-V641 PolarHBondContact O-N 3.2Å; L637-I656 HydrophobicContact CB-CG2 4.39Å; L637-I656 HydrophobicContact CD2-CG1 4.26Å; L637-I656 HydrophobicContact CD2-CG2 4.22Å; L637-V659 HydrophobicContact CD1-CB 4.39Å; L637-V659 HydrophobicContact CD1-CG1 3.76Å; L637-F660 HydrophobicContact CB-CE1 4.37Å; L637-F660 HydrophobicContact CB-CE2 3.86Å; L637-F660 HydrophobicContact CB-CZ 3.6Å; L637-F660 HydrophobicContact CD1-CD1 4.35Å; L637-F660 HydrophobicContact CD1-CD2 4.42Å; L637-F660 HydrophobicContact CD1-CE1 4.12Å; L637-F660 HydrophobicContact CD1-CE2 4.2Å; L637-F660 HydrophobicContact CD1-CG 4.48Å; L637-F660 HydrophobicContact CD1-CZ 4.04Å; L637-F660 HydrophobicContact CG-CZ 4.49Å; L637-L663 HydrophobicContact CD1-CD1 4.08Å |
| 638 | V | 88.7 | Confident | 78.9 | Confident | 5 Ų | 5 | 31 Ų | 31 | 3% | 0.03 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.2 | -37.7 | 176 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | V634 A636 K642 F660 A681 | V634-V638 HydrophobicContact CG1-CG2 4.1Å; V634-V638 WeakPolarHBondContact O-CB 3.48Å; V634-V638 WeakPolarHBondContact O-CG2 3.47Å; V634-V638 PolarHBondContact O-N 2.76Å; A636-V638 VanDerWaalsContact C-N 3.31Å; A636-V638 PolarHBondContact O-N 2.76Å; V638-K642 HydrophobicContact CG1-CD 3.91Å; V638-K642 VanDerWaalsContact CG1-CE 3.42Å; V638-K642 HydrophobicContact CG1-CG 4.34Å; V638-K642 WeakPolarHBondContact O-CB 3.43Å; V638-K642 VanDerWaalsContact O-CG 3.25Å; V638-K642 WeakPolarHBondContact O-CG 3.44Å; V638-K642 PolarHBondContact O-N 2.96Å; V638-F660 HydrophobicContact CG2-CZ 4.45Å; V638-A681 HydrophobicContact CB-CB 4.4Å; V638-A681 HydrophobicContact CG2-CB 3.87Å |
| 639 | C | 84.9 | Confident | 78 | Confident | 27 Ų | 27 | 32.6 Ų | 32.6 | 18% | 0.182 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.2 | -40.3 | 174.6 | -163.7 | 0 | 0 | 0 | 0 | 111.7 | K568 S635 A636 L637 V641 K642 Q643 | K568-C639 HydrophobicContact CG-CB 4.01Å; S635-C639 PolarHBondContact O-N 3.11Å; A636-C639 WeakPolarHBondContact O-CA 3.46Å; A636-C639 WeakPolarHBondContact O-CB 3.28Å; A636-C639 PolarHBondContact O-N 3.43Å; L637-C639 VanDerWaalsContact C-N 3.29Å; L637-C639 PolarHBondContact O-N 2.92Å; C639-V641 VanDerWaalsContact C-N 3.3Å; C639-V641 PolarHBondContact O-N 3.49Å; C639-K642 PolarHBondContact O-N 3.4Å; C639-Q643 PolarHBondContact SG-NE2 3.09Å; C639-Q643 VanDerWaalsContact SG-NE2 3.39Å |
| 640 | M | 83.7 | Confident | 77.3 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.9 | -38.2 | 176.6 | -62.7 | 176.7 | 53.6 | 0 | 0 | 112.1 | A567 L575 V578 A636 L637 I656 | A567-M640 HydrophobicContact CB-CG 4.21Å; A567-M640 HydrophobicContact CB-SD 4.14Å; L575-M640 HydrophobicContact CB-CE 4.13Å; L575-M640 HydrophobicContact CD2-CB 4.32Å; L575-M640 HydrophobicContact CD2-CE 4.04Å; L575-M640 HydrophobicContact CD2-CG 3.7Å; L575-M640 HydrophobicContact CD2-SD 4.3Å; V578-M640 HydrophobicContact CG1-SD 4.12Å; A636-M640 VanDerWaalsContact O-CG 3.32Å; A636-M640 WeakPolarHBondContact O-CG 3.49Å; A636-M640 PolarHBondContact O-N 3.36Å; L637-M640 HydrophobicContact CD2-SD 4.13Å; L637-M640 WeakPolarHBondContact O-CB 3.3Å; L637-M640 PolarHBondContact O-N 3.45Å; L637-M640 VanDerWaalsContact O-N 3.17Å; M640-I656 HydrophobicContact CB-CD1 4.04Å; M640-I656 HydrophobicContact CE-CD1 3.96Å; M640-I656 HydrophobicContact CE-CG1 4.05Å |
| 641 | V | 81.5 | Confident | 76.9 | Confident | 19 Ų | 19 | 31 Ų | 31 | 12% | 0.115 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -79.9 | -35.6 | 179.9 | 178.4 | 0 | 0 | 0 | 0 | 113 | L637 C639 Q643 I656 A681 P684 L685 | L637-V641 WeakPolarHBondContact O-CG2 3.33Å; L637-V641 PolarHBondContact O-N 3.2Å; C639-V641 VanDerWaalsContact C-N 3.3Å; C639-V641 PolarHBondContact O-N 3.49Å; V641-Q643 PolarHBondContact O-N 2.84Å; V641-I656 HydrophobicContact CG2-CD1 4.09Å; V641-I656 HydrophobicContact CG2-CG2 3.8Å; V641-A681 HydrophobicContact CB-CB 4.15Å; V641-A681 HydrophobicContact CG1-CB 4.22Å; V641-A681 WeakPolarHBondContact CG1-O 3.31Å; V641-A681 HydrophobicContact CG2-CB 4.32Å; V641-P684 HydrophobicContact CG1-CG 3.89Å; V641-L685 HydrophobicContact CG1-CD2 4.47Å; V641-L685 HydrophobicContact CG1-CG 4.23Å; V641-L685 HydrophobicContact CG2-CD1 3.78Å; V641-L685 HydrophobicContact CG2-CD2 4.22Å; V641-L685 HydrophobicContact CG2-CG 4.15Å |
| 642 | K | 71.4 | Confident | 76.7 | Confident | 136 Ų | 136 | 30.6 Ų | 30.6 | 59% | 0.591 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -65.6 | -22.8 | -176.3 | -84.7 | 175.1 | 179.9 | 171.5 | 0 | 113.9 | V638 C639 | V638-K642 HydrophobicContact CG1-CD 3.91Å; V638-K642 VanDerWaalsContact CG1-CE 3.42Å; V638-K642 HydrophobicContact CG1-CG 4.34Å; V638-K642 WeakPolarHBondContact O-CB 3.43Å; V638-K642 VanDerWaalsContact O-CG 3.25Å; V638-K642 WeakPolarHBondContact O-CG 3.44Å; V638-K642 PolarHBondContact O-N 2.96Å; C639-K642 PolarHBondContact O-N 3.4Å |
| 643 | Q | 61.4 | Low | 76.6 | Confident | 72 Ų | 72 | 32 Ų | 32 | 34% | 0.336 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -100 | 108.9 | -173.6 | -59.2 | -167.9 | 25.1 | 0 | 0 | 109.4 | C639 V641 S645 | C639-Q643 PolarHBondContact SG-NE2 3.09Å; C639-Q643 VanDerWaalsContact SG-NE2 3.39Å; V641-Q643 PolarHBondContact O-N 2.84Å; Q643-S645 PolarHBondContact O-N 3.16Å |
| 644 | E | 54.4 | Low | 76.6 | Confident | 103 Ų | 103 | 33.4 Ų | 33.4 | 48% | 0.481 | 17% | 0.174 | S | C | . | . | trans | -71.7 | 72.9 | 178.3 | -68.3 | -172 | -166.2 | 0 | 0 | 111.6 | N306 K310 | N306-E644 PolarHBondContact ND2-O 3.4Å; K310-E644 IonicContact NZ-OE2 3.11Å; K310-E644 PolarHBondContact NZ-OE2 3.24Å | ||
| 645 | S | 57.8 | Low | 76.5 | Confident | 18 Ų | 18 | 35.3 Ų | 35.3 | 13% | 0.126 | 18% | 0.183 | C | C | . | . | trans | -97.9 | 141.8 | 177.4 | 177.3 | 0 | 0 | 0 | 0 | 111.2 | Q643 A647 L648 | Q643-S645 PolarHBondContact O-N 3.16Å; S645-A647 PolarHBondContact O-N 3.44Å; S645-A647 WeakPolarHBondContact OG-CB 3.41Å; S645-A647 PolarHBondContact OG-N 3.33Å; S645-L648 WeakPolarHBondContact O-CB 3.3Å; S645-L648 PolarHBondContact O-N 2.95Å | ||
| 646 | P | 51.5 | Low | 76.5 | Confident | 13 Ų | 13 | 33.2 Ų | 33.2 | 8% | 0.084 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -17.9 | 171.1 | 28.8 | -33.8 | 0 | 0 | 0 | 112.3 | N306 S359 L648 | N306-P646 HydrophobicContact CB-CB 4.07Å; N306-P646 HydrophobicContact CB-CG 3.83Å; N306-P646 VanDerWaalsContact CG-CD 3.48Å; S359-P646 VanDerWaalsContact OG-CG 3.25Å; S359-P646 WeakPolarHBondContact OG-CG 3.21Å; P646-L648 PolarHBondContact O-N 3.07Å |
| 647 | A | 54.6 | Low | 76.7 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -16.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | M358 K572 S645 T649 | M358-A647 HydrophobicContact CG-CB 4.09Å; K572-A647 HydrophobicContact CB-CB 3.69Å; S645-A647 PolarHBondContact O-N 3.44Å; S645-A647 WeakPolarHBondContact OG-CB 3.41Å; S645-A647 PolarHBondContact OG-N 3.33Å; A647-T649 VanDerWaalsContact C-N 3.27Å; A647-T649 PolarHBondContact O-N 3.06Å |
| 648 | L | 65.9 | Low | 76.9 | Confident | 14 Ų | 14 | 33.9 Ų | 33.9 | 7% | 0.073 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -79.6 | 78.2 | 172.1 | -171.6 | 73.1 | 0 | 0 | 0 | 109.6 | L575 S645 P646 C652 R653 I656 | L575-L648 HydrophobicContact CD1-CD1 4.24Å; S645-L648 WeakPolarHBondContact O-CB 3.3Å; S645-L648 PolarHBondContact O-N 2.95Å; P646-L648 PolarHBondContact O-N 3.07Å; L648-C652 HydrophobicContact CD1-CB 4.1Å; L648-R653 HydrophobicContact CD1-CG 4.21Å; L648-R653 HydrophobicContact CD2-CG 3.79Å; L648-R653 HydrophobicContact CG-CG 3.69Å; L648-I656 HydrophobicContact CD1-CD1 3.8Å |
| 649 | T | 71.2 | Confident | 77.1 | Confident | 34 Ų | 34 | 33.7 Ų | 33.7 | 21% | 0.209 | 17% | 0.169 | C | C | . | . | trans | -62.1 | 158.5 | 176.8 | 61 | 0 | 0 | 0 | 0 | 111.6 | M358 V362 A647 A651 C652 R653 | M358-T649 HydrophobicContact CE-CG2 4.23Å; V362-T649 HydrophobicContact CG2-CG2 4.16Å; A647-T649 VanDerWaalsContact C-N 3.27Å; A647-T649 PolarHBondContact O-N 3.06Å; T649-A651 PolarHBondContact O-N 3.2Å; T649-C652 WeakPolarHBondContact O-CB 3.37Å; T649-C652 PolarHBondContact O-N 2.84Å; T649-C652 PolarHBondContact OG1-N 3Å; T649-R653 PolarHBondContact O-N 3.04Å | ||
| 650 | E | 75.8 | Confident | 77.5 | Confident | 99 Ų | 99 | 32.4 Ų | 32.4 | 46% | 0.463 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -56.8 | -38.5 | 176.4 | -66.7 | 175.7 | -164.5 | 0 | 0 | 111.3 | K366 C652 R653 E654 N689 T690 | K366-E650 IonicContact NZ-OE1 3.06Å; E650-C652 PolarHBondContact O-N 3.2Å; E650-R653 PolarHBondContact O-N 3.36Å; E650-E654 PolarHBondContact O-N 3.4Å; E650-N689 PolarHBondContact O-OD1 3.18Å; E650-T690 HydrophobicContact CB-CG2 3.81Å |
| 651 | A | 81.2 | Confident | 78 | Confident | 41 Ų | 41 | 33.6 Ų | 33.6 | 34% | 0.339 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -61.3 | -40.4 | 173 | 0 | 0 | 0 | 0 | 0 | 113.1 | F576 T649 E654 F655 | F576-A651 HydrophobicContact CE2-CB 4.45Å; T649-A651 PolarHBondContact O-N 3.2Å; A651-E654 WeakPolarHBondContact O-CB 2.95Å; A651-E654 PolarHBondContact O-N 2.86Å; A651-F655 VanDerWaalsContact O-CG 3.3Å; A651-F655 WeakPolarHBondContact O-CG 3.44Å; A651-F655 PolarHBondContact O-N 2.87Å |
| 652 | C | 85.4 | Confident | 78.4 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.5 | -39.1 | 177 | -170.8 | 0 | 0 | 0 | 0 | 111.5 | L648 T649 E650 E654 F655 I656 | L648-C652 HydrophobicContact CD1-CB 4.1Å; T649-C652 WeakPolarHBondContact O-CB 3.37Å; T649-C652 PolarHBondContact O-N 2.84Å; T649-C652 PolarHBondContact OG1-N 3Å; E650-C652 PolarHBondContact O-N 3.2Å; C652-E654 VanDerWaalsContact C-N 3.31Å; C652-E654 PolarHBondContact O-N 2.96Å; C652-F655 WeakPolarHBondContact O-CB 3.41Å; C652-F655 PolarHBondContact O-N 3.21Å; C652-I656 VanDerWaalsContact O-CG1 3.28Å; C652-I656 WeakPolarHBondContact O-CG1 3.41Å; C652-I656 PolarHBondContact O-N 3.44Å |
| 653 | R | 87.6 | Confident | 79.4 | Confident | 43 Ų | 43 | 27.1 Ų | 27.1 | 16% | 0.162 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.6 | -37.7 | 173.8 | -64.2 | -175.8 | -166.7 | 179.3 | -0.6 | 112.1 | L648 T649 E650 I656 A657 L685 D688 N689 | L648-R653 HydrophobicContact CD1-CG 4.21Å; L648-R653 HydrophobicContact CD2-CG 3.79Å; L648-R653 HydrophobicContact CG-CG 3.69Å; T649-R653 PolarHBondContact O-N 3.04Å; E650-R653 PolarHBondContact O-N 3.36Å; R653-I656 PolarHBondContact O-N 3.06Å; R653-A657 WeakPolarHBondContact O-CB 3.49Å; R653-A657 PolarHBondContact O-N 3.32Å; R653-L685 HydrophobicContact CB-CD2 3.8Å; R653-L685 HydrophobicContact CG-CD2 4.05Å; R653-D688 WeakPolarHBondContact CD-O 3.15Å; R653-D688 IonicContact CZ-OD2 3.6Å; R653-D688 PolarHBondContact NH1-O 2.95Å; R653-D688 IonicContact NH1-OD1 3.81Å; R653-D688 PolarHBondContact NH1-OD1 3.13Å; R653-D688 IonicContact NH1-OD2 2.67Å; R653-D688 PolarHBondContact NH1-OD2 3.09Å; R653-D688 IonicContact NH2-OD2 2.75Å; R653-N689 VanDerWaalsContact CB-OD1 3.24Å; R653-N689 WeakPolarHBondContact CB-OD1 3.42Å; R653-N689 PolarHBondContact O-ND2 3.39Å; R653-N689 VanDerWaalsContact O-ND2 3.15Å |
| 654 | E | 90.1 | Very high | 80.8 | Confident | 29 Ų | 29 | 23.7 Ų | 23.7 | 14% | 0.136 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.6 | -45.5 | 173.6 | -172.2 | -178.9 | 136.5 | 0 | 0 | 111.4 | E650 A651 C652 I656 A657 R658 N689 T690 | E650-E654 PolarHBondContact O-N 3.4Å; A651-E654 WeakPolarHBondContact O-CB 2.95Å; A651-E654 PolarHBondContact O-N 2.86Å; C652-E654 VanDerWaalsContact C-N 3.31Å; C652-E654 PolarHBondContact O-N 2.96Å; E654-I656 VanDerWaalsContact C-N 3.34Å; E654-I656 PolarHBondContact O-N 3.39Å; E654-A657 WeakPolarHBondContact O-CB 3.39Å; E654-A657 PolarHBondContact O-N 3.36Å; E654-R658 HydrophobicContact CG-CG 4.49Å; E654-R658 WeakPolarHBondContact O-CG 3.43Å; E654-R658 PolarHBondContact O-N 2.93Å; E654-R658 IonicContact OE1-CZ 3.75Å; E654-R658 VanDerWaalsContact OE1-CZ 3.24Å; E654-R658 IonicContact OE1-NE 2.85Å; E654-R658 PolarHBondContact OE1-NE 2.87Å; E654-R658 IonicContact OE1-NH2 3.73Å; E654-R658 PolarHBondContact OE1-NH2 3.49Å; E654-N689 PolarHBondContact N-OD1 2.81Å; E654-T690 HydrophobicContact CB-CG2 4.44Å; E654-T690 WeakPolarHBondContact OE2-CB 3.23Å; E654-T690 WeakPolarHBondContact OE2-CG2 3.41Å; E654-T690 PolarHBondContact OE2-OG1 3.5Å |
| 655 | F | 90.2 | Very high | 82.5 | Confident | 41 Ų | 41 | 23.4 Ų | 23.4 | 18% | 0.18 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.7 | -46.1 | 175.4 | -66.6 | -18.3 | 0 | 0 | 0 | 112.1 | F576 V583 A651 C652 A657 R658 V659 | F576-F655 HydrophobicContact CD2-CE2 4.07Å; F576-F655 HydrophobicContact CE2-CD2 4.48Å; F576-F655 AromaticContact CE2-CE2 3.57Å; F576-F655 HydrophobicContact CE2-CE2 3.57Å; F576-F655 HydrophobicContact CE2-CZ 4.22Å; F576-F655 AromaticContact CZ-CE2 3.91Å; F576-F655 HydrophobicContact CZ-CE2 3.91Å; F576-F655 HydrophobicContact CZ-CZ 4.4Å; V583-F655 HydrophobicContact CG2-CB 3.59Å; V583-F655 HydrophobicContact CG2-CD1 3.86Å; V583-F655 HydrophobicContact CG2-CG 3.85Å; A651-F655 VanDerWaalsContact O-CG 3.3Å; A651-F655 WeakPolarHBondContact O-CG 3.44Å; A651-F655 PolarHBondContact O-N 2.87Å; C652-F655 WeakPolarHBondContact O-CB 3.41Å; C652-F655 PolarHBondContact O-N 3.21Å; F655-A657 VanDerWaalsContact C-N 3.33Å; F655-A657 PolarHBondContact O-N 3.24Å; F655-R658 PolarHBondContact O-N 3.43Å; F655-V659 VanDerWaalsContact O-CG2 3.31Å; F655-V659 WeakPolarHBondContact O-CG2 3.18Å; F655-V659 PolarHBondContact O-N 3.11Å |
| 656 | I | 91.3 | Very high | 83.9 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.6 | -44.1 | 176.9 | -63.8 | 164.7 | 0 | 0 | 0 | 110.6 | L637 M640 V641 L648 C652 R653 E654 R658 V659 F660 L685 | L637-I656 HydrophobicContact CB-CG2 4.39Å; L637-I656 HydrophobicContact CD2-CG1 4.26Å; L637-I656 HydrophobicContact CD2-CG2 4.22Å; M640-I656 HydrophobicContact CB-CD1 4.04Å; M640-I656 HydrophobicContact CE-CD1 3.96Å; M640-I656 HydrophobicContact CE-CG1 4.05Å; V641-I656 HydrophobicContact CG2-CD1 4.09Å; V641-I656 HydrophobicContact CG2-CG2 3.8Å; L648-I656 HydrophobicContact CD1-CD1 3.8Å; C652-I656 VanDerWaalsContact O-CG1 3.28Å; C652-I656 WeakPolarHBondContact O-CG1 3.41Å; C652-I656 PolarHBondContact O-N 3.44Å; R653-I656 PolarHBondContact O-N 3.06Å; E654-I656 VanDerWaalsContact C-N 3.34Å; E654-I656 PolarHBondContact O-N 3.39Å; I656-R658 PolarHBondContact O-N 2.92Å; I656-V659 PolarHBondContact O-N 3.3Å; I656-F660 HydrophobicContact CG2-CD2 3.59Å; I656-F660 HydrophobicContact CG2-CE2 3.44Å; I656-F660 VanDerWaalsContact CG2-CE2 3.44Å; I656-F660 VanDerWaalsContact O-CD2 3.24Å; I656-F660 WeakPolarHBondContact O-CD2 3.35Å; I656-F660 PolarHBondContact O-N 2.8Å; I656-L685 HydrophobicContact CB-CD1 4.28Å; I656-L685 HydrophobicContact CG2-CD1 3.6Å |
| 657 | A | 92.5 | Very high | 85.7 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.6 | -41.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R653 E654 F655 F660 L661 K696 A697 | R653-A657 WeakPolarHBondContact O-CB 3.49Å; R653-A657 PolarHBondContact O-N 3.32Å; E654-A657 WeakPolarHBondContact O-CB 3.39Å; E654-A657 PolarHBondContact O-N 3.36Å; F655-A657 VanDerWaalsContact C-N 3.33Å; F655-A657 PolarHBondContact O-N 3.24Å; A657-F660 PolarHBondContact O-N 3.09Å; A657-L661 PolarHBondContact O-N 2.96Å; A657-K696 HydrophobicContact CB-CB 4.44Å; A657-A697 HydrophobicContact CB-CB 3.94Å |
| 658 | R | 93 | Very high | 87.3 | Confident | 15 Ų | 15 | 39.3 Ų | 39.3 | 6% | 0.057 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.7 | -46.4 | 175.9 | -74.1 | 171.3 | 177.7 | -85.4 | 1 | 111.8 | V583 S588 D590 E654 F655 I656 L661 A662 K696 | V583-R658 HydrophobicContact CG2-CB 4.49Å; S588-R658 WeakPolarHBondContact O-CD 3.16Å; S588-R658 PolarHBondContact O-NH1 2.93Å; D590-R658 VanDerWaalsContact CG-NH1 3.27Å; D590-R658 IonicContact OD1-CZ 3.43Å; D590-R658 IonicContact OD1-NH1 3.77Å; D590-R658 PolarHBondContact OD1-NH1 3.39Å; D590-R658 IonicContact OD1-NH2 3.76Å; D590-R658 IonicContact OD2-CZ 3.69Å; D590-R658 IonicContact OD2-NH1 2.62Å; D590-R658 PolarHBondContact OD2-NH1 3Å; D590-R658 IonicContact OD2-NH2 2.81Å; D590-R658 PolarHBondContact OD2-NH2 3.47Å; E654-R658 HydrophobicContact CG-CG 4.49Å; E654-R658 WeakPolarHBondContact O-CG 3.43Å; E654-R658 PolarHBondContact O-N 2.93Å; E654-R658 IonicContact OE1-CZ 3.75Å; E654-R658 VanDerWaalsContact OE1-CZ 3.24Å; E654-R658 IonicContact OE1-NE 2.85Å; E654-R658 PolarHBondContact OE1-NE 2.87Å; E654-R658 IonicContact OE1-NH2 3.73Å; E654-R658 PolarHBondContact OE1-NH2 3.49Å; F655-R658 PolarHBondContact O-N 3.43Å; I656-R658 PolarHBondContact O-N 2.92Å; R658-L661 PolarHBondContact O-N 3.43Å; R658-A662 PolarHBondContact O-N 2.93Å; R658-A662 VanDerWaalsContact O-N 3.09Å; R658-K696 HydrophobicContact CG-CG 4.49Å |
| 659 | V | 93.4 | Very high | 88.3 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.4 | -43.8 | 177.7 | 175.8 | 0 | 0 | 0 | 0 | 110.5 | L582 V583 T586 L637 F655 I656 L661 A662 L663 | L582-V659 HydrophobicContact CB-CG1 4.49Å; L582-V659 HydrophobicContact CB-CG2 3.85Å; V583-V659 HydrophobicContact CG2-CG2 3.74Å; T586-V659 HydrophobicContact CG2-CG1 4.3Å; L637-V659 HydrophobicContact CD1-CB 4.39Å; L637-V659 HydrophobicContact CD1-CG1 3.76Å; F655-V659 VanDerWaalsContact O-CG2 3.31Å; F655-V659 WeakPolarHBondContact O-CG2 3.18Å; F655-V659 PolarHBondContact O-N 3.11Å; I656-V659 PolarHBondContact O-N 3.3Å; V659-L661 VanDerWaalsContact C-N 3.33Å; V659-L661 PolarHBondContact O-N 2.93Å; V659-A662 PolarHBondContact O-N 3.44Å; V659-L663 HydrophobicContact CG1-CD1 3.97Å; V659-L663 HydrophobicContact CG1-CG 4.34Å; V659-L663 VanDerWaalsContact O-CG 3.28Å; V659-L663 WeakPolarHBondContact O-CG 3.37Å; V659-L663 PolarHBondContact O-N 3.45Å |
| 660 | F | 93.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.6 | -41.7 | 174.9 | -86.4 | -60.1 | 0 | 0 | 0 | 112.8 | V634 L637 V638 I656 A657 A662 L663 V664 L673 A681 L682 L685 | V634-F660 HydrophobicContact CG1-CE1 4.17Å; L637-F660 HydrophobicContact CB-CE1 4.37Å; L637-F660 HydrophobicContact CB-CE2 3.86Å; L637-F660 HydrophobicContact CB-CZ 3.6Å; L637-F660 HydrophobicContact CD1-CD1 4.35Å; L637-F660 HydrophobicContact CD1-CD2 4.42Å; L637-F660 HydrophobicContact CD1-CE1 4.12Å; L637-F660 HydrophobicContact CD1-CE2 4.2Å; L637-F660 HydrophobicContact CD1-CG 4.48Å; L637-F660 HydrophobicContact CD1-CZ 4.04Å; L637-F660 HydrophobicContact CG-CZ 4.49Å; V638-F660 HydrophobicContact CG2-CZ 4.45Å; I656-F660 HydrophobicContact CG2-CD2 3.59Å; I656-F660 HydrophobicContact CG2-CE2 3.44Å; I656-F660 VanDerWaalsContact CG2-CE2 3.44Å; I656-F660 VanDerWaalsContact O-CD2 3.24Å; I656-F660 WeakPolarHBondContact O-CD2 3.35Å; I656-F660 PolarHBondContact O-N 2.8Å; A657-F660 PolarHBondContact O-N 3.09Å; F660-A662 VanDerWaalsContact C-N 3.31Å; F660-A662 PolarHBondContact O-N 3.14Å; F660-L663 PolarHBondContact O-N 3.42Å; F660-V664 WeakPolarHBondContact O-CB 3.43Å; F660-V664 VanDerWaalsContact O-CG2 3.23Å; F660-V664 WeakPolarHBondContact O-CG2 3.46Å; F660-V664 PolarHBondContact O-N 2.91Å; F660-L673 HydrophobicContact CD1-CD1 4.16Å; F660-A681 HydrophobicContact CE2-CB 4.39Å; F660-A681 HydrophobicContact CZ-CB 4.23Å; F660-L682 HydrophobicContact CB-CD1 4.41Å; F660-L682 HydrophobicContact CB-CD2 3.71Å; F660-L682 HydrophobicContact CB-CG 4.33Å; F660-L682 HydrophobicContact CD1-CG 4.48Å; F660-L682 HydrophobicContact CD2-CD2 3.82Å; F660-L682 HydrophobicContact CD2-CG 4.17Å; F660-L682 HydrophobicContact CG-CD1 4.43Å; F660-L682 HydrophobicContact CG-CD2 3.85Å; F660-L682 HydrophobicContact CG-CG 4.11Å; F660-L685 HydrophobicContact CD2-CD1 4.18Å; F660-L685 HydrophobicContact CE2-CD1 4.24Å |
| 661 | L | 93.4 | Very high | 89.8 | Confident | 25 Ų | 25 | 36.6 Ų | 36.6 | 13% | 0.131 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.5 | -41.3 | 177.4 | -179.2 | 63.2 | 0 | 0 | 0 | 111.7 | A657 R658 V659 V664 D665 K696 Q699 A700 K703 | A657-L661 PolarHBondContact O-N 2.96Å; R658-L661 PolarHBondContact O-N 3.43Å; V659-L661 VanDerWaalsContact C-N 3.33Å; V659-L661 PolarHBondContact O-N 2.93Å; L661-V664 PolarHBondContact O-N 3.01Å; L661-D665 PolarHBondContact O-N 3.16Å; L661-K696 HydrophobicContact CD2-CB 4.2Å; L661-K696 HydrophobicContact CD2-CD 3.53Å; L661-K696 HydrophobicContact CD2-CG 4.41Å; L661-Q699 HydrophobicContact CD1-CB 4.03Å; L661-Q699 HydrophobicContact CD1-CG 3.86Å; L661-A700 HydrophobicContact CB-CB 4.43Å; L661-A700 HydrophobicContact CD1-CB 4.25Å; L661-K703 HydrophobicContact CD1-CD 4.39Å |
| 662 | A | 91.6 | Very high | 90.1 | Very high | 19 Ų | 19 | 37.8 Ų | 37.8 | 16% | 0.157 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.1 | -39.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S588 L625 R658 V659 F660 V664 D665 | S588-A662 WeakPolarHBondContact OG-CB 3.31Å; L625-A662 HydrophobicContact CD2-CB 4.11Å; R658-A662 PolarHBondContact O-N 2.93Å; R658-A662 VanDerWaalsContact O-N 3.09Å; V659-A662 PolarHBondContact O-N 3.44Å; F660-A662 VanDerWaalsContact C-N 3.31Å; F660-A662 PolarHBondContact O-N 3.14Å; A662-V664 VanDerWaalsContact C-N 3.3Å; A662-V664 PolarHBondContact O-N 2.91Å; A662-D665 WeakPolarHBondContact O-CB 3.23Å; A662-D665 PolarHBondContact O-N 3.4Å |
| 663 | L | 91.4 | Very high | 90.4 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.5 | -28.1 | 177.7 | -65.4 | 169.7 | 0 | 0 | 0 | 113.2 | L625 L629 V633 V634 L637 V659 F660 L673 | L625-L663 HydrophobicContact CD2-CD2 3.81Å; L625-L663 HydrophobicContact CD2-CG 4.45Å; L629-L663 HydrophobicContact CD1-CD2 4.36Å; L629-L663 HydrophobicContact CD2-CB 4.47Å; L629-L663 HydrophobicContact CD2-CD1 4.49Å; L629-L663 HydrophobicContact CD2-CD2 3.8Å; L629-L663 HydrophobicContact CD2-CG 4.48Å; L629-L663 HydrophobicContact CG-CD2 3.8Å; V633-L663 HydrophobicContact CG1-CD1 3.81Å; V633-L663 HydrophobicContact CG1-CD2 4.03Å; V634-L663 HydrophobicContact CG2-CD1 4.13Å; L637-L663 HydrophobicContact CD1-CD1 4.08Å; V659-L663 HydrophobicContact CG1-CD1 3.97Å; V659-L663 HydrophobicContact CG1-CG 4.34Å; V659-L663 VanDerWaalsContact O-CG 3.28Å; V659-L663 WeakPolarHBondContact O-CG 3.37Å; V659-L663 PolarHBondContact O-N 3.45Å; F660-L663 PolarHBondContact O-N 3.42Å; L663-L673 HydrophobicContact CB-CD1 3.79Å |
| 664 | V | 91 | Very high | 90.5 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -87.5 | -8.6 | -178.3 | 173.2 | 0 | 0 | 0 | 0 | 112.2 | F660 L661 A662 R666 R670 L673 K703 I704 | F660-V664 WeakPolarHBondContact O-CB 3.43Å; F660-V664 VanDerWaalsContact O-CG2 3.23Å; F660-V664 WeakPolarHBondContact O-CG2 3.46Å; F660-V664 PolarHBondContact O-N 2.91Å; L661-V664 PolarHBondContact O-N 3.01Å; A662-V664 VanDerWaalsContact C-N 3.3Å; A662-V664 PolarHBondContact O-N 2.91Å; V664-R666 VanDerWaalsContact C-N 3.34Å; V664-R666 PolarHBondContact O-N 3.17Å; V664-R670 HydrophobicContact CG1-CG 4.14Å; V664-R670 PolarHBondContact O-NE 3.45Å; V664-R670 PolarHBondContact O-NH2 3.14Å; V664-L673 HydrophobicContact CG2-CD1 3.52Å; V664-L673 HydrophobicContact CG2-CD2 4.05Å; V664-L673 HydrophobicContact CG2-CG 4.41Å; V664-K703 HydrophobicContact CG1-CB 3.36Å; V664-K703 HydrophobicContact CG1-CD 4.07Å; V664-K703 HydrophobicContact CG1-CG 4.34Å; V664-I704 HydrophobicContact CG1-CG1 3.95Å; V664-I704 HydrophobicContact CG2-CD1 4.05Å; V664-I704 HydrophobicContact CG2-CG1 4.08Å |
| 665 | D | 89.1 | Confident | 90.4 | Very high | 97 Ų | 97 | 39.6 Ų | 39.6 | 52% | 0.519 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -59.3 | -46.5 | -173.9 | -156.2 | 38.2 | 0 | 0 | 0 | 111.7 | L661 A662 R670 K703 | L661-D665 PolarHBondContact O-N 3.16Å; A662-D665 WeakPolarHBondContact O-CB 3.23Å; A662-D665 PolarHBondContact O-N 3.4Å; D665-R670 PolarHBondContact O-NH2 3.12Å; D665-K703 IonicContact OD1-NZ 3.92Å; D665-K703 PolarHBondContact OD1-NZ 3.27Å |
| 666 | R | 87.9 | Confident | 90.3 | Very high | 85 Ų | 85 | 41 Ų | 41 | 32% | 0.321 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -74.9 | 132.4 | 172.8 | -68.6 | -177.9 | 64.4 | -163.4 | -4.6 | 111.7 | V664 E668 D669 R670 | V664-R666 VanDerWaalsContact C-N 3.34Å; V664-R666 PolarHBondContact O-N 3.17Å; R666-E668 IonicContact CZ-OE2 2.92Å; R666-E668 IonicContact NH2-OE2 3.77Å; R666-E668 PolarHBondContact NH2-OE2 3.27Å; R666-E668 PolarHBondContact O-N 3.38Å; R666-D669 HydrophobicContact CB-CB 4.35Å; R666-D669 WeakPolarHBondContact CB-OD2 3.17Å; R666-D669 WeakPolarHBondContact CD-OD2 3.39Å; R666-D669 IonicContact CZ-OD2 3.79Å; R666-D669 IonicContact NE-OD2 3.3Å; R666-D669 IonicContact NH1-OD2 2.69Å; R666-D669 PolarHBondContact O-N 2.85Å; R666-R670 WeakPolarHBondContact O-CG 3.19Å |
| 667 | Q | 88.7 | Confident | 90.1 | Very high | 137 Ų | 137 | 42 Ų | 42 | 64% | 0.64 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66 | -37 | -178.1 | 178.5 | 167.1 | -0.8 | 0 | 0 | 113.6 | D669 R670 T707 | Q667-D669 VanDerWaalsContact C-N 3.28Å; Q667-D669 PolarHBondContact O-N 3.26Å; Q667-R670 WeakPolarHBondContact O-CG 3.46Å; Q667-R670 PolarHBondContact O-N 3.46Å; Q667-T707 HydrophobicContact CG-CG2 3.96Å |
| 668 | E | 88.3 | Confident | 89.9 | Confident | 144 Ų | 144 | 42 Ų | 42 | 67% | 0.673 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -33.8 | -178.5 | -61.9 | 171.8 | 162.7 | 0 | 0 | 112.3 | R666 R670 P672 | R666-E668 IonicContact CZ-OE2 2.92Å; R666-E668 IonicContact NH2-OE2 3.77Å; R666-E668 PolarHBondContact NH2-OE2 3.27Å; R666-E668 PolarHBondContact O-N 3.38Å; E668-R670 VanDerWaalsContact C-N 3.32Å; E668-R670 PolarHBondContact O-N 2.87Å; E668-P672 WeakPolarHBondContact O-CD 3.3Å |
| 669 | D | 88.1 | Confident | 89.5 | Confident | 23 Ų | 23 | 41.4 Ų | 41.4 | 12% | 0.123 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -14.3 | -174.6 | -66.2 | -32.2 | 0 | 0 | 0 | 113.2 | L629 R666 Q667 G671 P672 L673 | L629-D669 HydrophobicContact CD1-CB 3.51Å; R666-D669 HydrophobicContact CB-CB 4.35Å; R666-D669 WeakPolarHBondContact CB-OD2 3.17Å; R666-D669 WeakPolarHBondContact CD-OD2 3.39Å; R666-D669 IonicContact CZ-OD2 3.79Å; R666-D669 IonicContact NE-OD2 3.3Å; R666-D669 IonicContact NH1-OD2 2.69Å; R666-D669 PolarHBondContact O-N 2.85Å; Q667-D669 VanDerWaalsContact C-N 3.28Å; Q667-D669 PolarHBondContact O-N 3.26Å; D669-G671 PolarHBondContact O-N 3.04Å; D669-P672 WeakPolarHBondContact O-CD 3.18Å; D669-L673 WeakPolarHBondContact O-CB 3.38Å; D669-L673 PolarHBondContact O-N 2.67Å |
| 670 | R | 90.3 | Very high | 89.2 | Confident | 27 Ų | 27 | 45.7 Ų | 45.7 | 10% | 0.102 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.4 | -38.5 | -176.7 | -56.6 | -178.9 | -175.3 | 165.8 | 10.5 | 112.3 | V664 D665 R666 Q667 E668 L673 V674 K703 T707 | V664-R670 HydrophobicContact CG1-CG 4.14Å; V664-R670 PolarHBondContact O-NE 3.45Å; V664-R670 PolarHBondContact O-NH2 3.14Å; D665-R670 PolarHBondContact O-NH2 3.12Å; R666-R670 WeakPolarHBondContact O-CG 3.19Å; Q667-R670 WeakPolarHBondContact O-CG 3.46Å; Q667-R670 PolarHBondContact O-N 3.46Å; E668-R670 VanDerWaalsContact C-N 3.32Å; E668-R670 PolarHBondContact O-N 2.87Å; R670-L673 PolarHBondContact O-N 3.3Å; R670-V674 VanDerWaalsContact O-CG2 3.32Å; R670-V674 WeakPolarHBondContact O-CG2 3.46Å; R670-V674 PolarHBondContact O-N 3.3Å; R670-K703 PolarHBondContact NH1-O 3.37Å; R670-T707 WeakPolarHBondContact CD-OG1 3.5Å |
| 671 | G | 87.6 | Confident | 88.9 | Confident | 39 Ų | 39 | 45.9 Ų | 45.9 | 40% | 0.402 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.8 | -56.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D669 L673 V674 A675 | D669-G671 PolarHBondContact O-N 3.04Å; G671-L673 VanDerWaalsContact C-N 3.27Å; G671-L673 PolarHBondContact O-N 3.01Å; G671-V674 PolarHBondContact O-N 3.19Å; G671-A675 PolarHBondContact O-N 3.04Å |
| 672 | P | 88.4 | Confident | 88.8 | Confident | 66 Ų | 66 | 44.7 Ų | 44.7 | 43% | 0.429 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -55.4 | -38.7 | 174.6 | -27.4 | 34.5 | 0 | 0 | 0 | 113.6 | E668 D669 A675 Q676 | E668-P672 WeakPolarHBondContact O-CD 3.3Å; D669-P672 WeakPolarHBondContact O-CD 3.18Å; P672-A675 PolarHBondContact O-N 2.75Å; P672-Q676 WeakPolarHBondContact O-CG 3.35Å; P672-Q676 PolarHBondContact O-N 3.46Å |
| 673 | L | 90.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.7 | -42 | 178.1 | -177 | 149.4 | 0 | 0 | 0 | 112.4 | V634 F660 L663 V664 D669 R670 G671 Q676 G677 G678 I704 | V634-L673 HydrophobicContact CG1-CG 4.31Å; V634-L673 HydrophobicContact CG2-CB 4.36Å; V634-L673 HydrophobicContact CG2-CD1 4.1Å; V634-L673 HydrophobicContact CG2-CG 3.98Å; F660-L673 HydrophobicContact CD1-CD1 4.16Å; L663-L673 HydrophobicContact CB-CD1 3.79Å; V664-L673 HydrophobicContact CG2-CD1 3.52Å; V664-L673 HydrophobicContact CG2-CD2 4.05Å; V664-L673 HydrophobicContact CG2-CG 4.41Å; D669-L673 WeakPolarHBondContact O-CB 3.38Å; D669-L673 PolarHBondContact O-N 2.67Å; R670-L673 PolarHBondContact O-N 3.3Å; G671-L673 VanDerWaalsContact C-N 3.27Å; G671-L673 PolarHBondContact O-N 3.01Å; L673-Q676 PolarHBondContact O-N 3.27Å; L673-G677 PolarHBondContact O-N 3.03Å; L673-G678 PolarHBondContact O-N 3.27Å; L673-I704 HydrophobicContact CD2-CD1 3.7Å; L673-I704 HydrophobicContact CD2-CG1 4.5Å |
| 674 | V | 90 | Very high | 88.5 | Confident | 22 Ų | 22 | 46.5 Ų | 46.5 | 13% | 0.133 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.9 | -44.5 | 174.5 | 169.5 | 0 | 0 | 0 | 0 | 110.8 | R670 G671 Q676 G677 I704 A713 | R670-V674 VanDerWaalsContact O-CG2 3.32Å; R670-V674 WeakPolarHBondContact O-CG2 3.46Å; R670-V674 PolarHBondContact O-N 3.3Å; G671-V674 PolarHBondContact O-N 3.19Å; V674-Q676 VanDerWaalsContact C-N 3.27Å; V674-Q676 PolarHBondContact O-N 3.32Å; V674-G677 PolarHBondContact O-N 3.48Å; V674-I704 HydrophobicContact CG2-CG2 3.53Å; V674-A713 HydrophobicContact CG1-CB 4.13Å; V674-A713 HydrophobicContact CG2-CB 4.33Å |
| 675 | A | 88.1 | Confident | 88.3 | Confident | 89 Ų | 89 | 46.6 Ų | 46.6 | 74% | 0.736 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -60.5 | -35.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G671 P672 G677 | G671-A675 PolarHBondContact O-N 3.04Å; P672-A675 PolarHBondContact O-N 2.75Å; A675-G677 PolarHBondContact O-N 3.26Å |
| 676 | Q | 88.4 | Confident | 88.2 | Confident | 71 Ų | 71 | 42.1 Ų | 42.1 | 33% | 0.332 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 0.7 | 175.6 | -67.5 | -177.3 | 46.5 | 0 | 0 | 113.7 | V634 P672 L673 V674 | V634-Q676 HydrophobicContact CB-CB 3.97Å; V634-Q676 HydrophobicContact CG1-CB 3.56Å; P672-Q676 WeakPolarHBondContact O-CG 3.35Å; P672-Q676 PolarHBondContact O-N 3.46Å; L673-Q676 PolarHBondContact O-N 3.27Å; V674-Q676 VanDerWaalsContact C-N 3.27Å; V674-Q676 PolarHBondContact O-N 3.32Å |
| 677 | G | 87.3 | Confident | 88 | Confident | 22 Ų | 22 | 41.8 Ų | 41.8 | 23% | 0.227 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | 17 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115 | L673 V674 A675 G679 K680 A681 | L673-G677 PolarHBondContact O-N 3.03Å; V674-G677 PolarHBondContact O-N 3.48Å; A675-G677 PolarHBondContact O-N 3.26Å; G677-G679 PolarHBondContact O-N 3.26Å; G677-K680 WeakPolarHBondContact O-CB 3.5Å; G677-K680 PolarHBondContact O-N 3.46Å; G677-A681 PolarHBondContact O-N 2.9Å |
| 678 | G | 86.9 | Confident | 87.6 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.2 | -41.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L673 K680 A681 L682 | L673-G678 PolarHBondContact O-N 3.27Å; G678-K680 VanDerWaalsContact C-N 3.26Å; G678-K680 PolarHBondContact O-N 3.03Å; G678-A681 PolarHBondContact O-N 3.31Å; G678-A681 VanDerWaalsContact O-N 3.09Å; G678-L682 PolarHBondContact O-N 3.11Å |
| 679 | G | 85.9 | Confident | 87.3 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.7 | -37.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | G677 | G677-G679 PolarHBondContact O-N 3.26Å |
| 680 | K | 86.8 | Confident | 87.2 | Confident | 92 Ų | 92 | 33.5 Ų | 33.5 | 40% | 0.4 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -68.5 | -35.3 | 176.5 | 167.7 | 164 | 177 | 175.4 | 0 | 112.9 | G677 G678 R718 | G677-K680 WeakPolarHBondContact O-CB 3.5Å; G677-K680 PolarHBondContact O-N 3.46Å; G678-K680 VanDerWaalsContact C-N 3.26Å; G678-K680 PolarHBondContact O-N 3.03Å; K680-R718 VanDerWaalsContact CE-CZ 3.49Å |
| 681 | A | 88.4 | Confident | 86.9 | Confident | 4 Ų | 4 | 38 Ų | 38 | 3% | 0.033 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -78.3 | -28.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V638 V641 F660 G677 G678 I683 P684 | V638-A681 HydrophobicContact CB-CB 4.4Å; V638-A681 HydrophobicContact CG2-CB 3.87Å; V641-A681 HydrophobicContact CB-CB 4.15Å; V641-A681 HydrophobicContact CG1-CB 4.22Å; V641-A681 WeakPolarHBondContact CG1-O 3.31Å; V641-A681 HydrophobicContact CG2-CB 4.32Å; F660-A681 HydrophobicContact CE2-CB 4.39Å; F660-A681 HydrophobicContact CZ-CB 4.23Å; G677-A681 PolarHBondContact O-N 2.9Å; G678-A681 PolarHBondContact O-N 3.31Å; G678-A681 VanDerWaalsContact O-N 3.09Å; A681-I683 PolarHBondContact O-N 3.43Å; A681-P684 VanDerWaalsContact O-CD 3.3Å; A681-P684 WeakPolarHBondContact O-CD 3.49Å; A681-P684 WeakPolarHBondContact O-CG 3.46Å |
| 682 | L | 90.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.5 | -29 | -179.3 | -82.5 | 168.3 | 0 | 0 | 0 | 114.3 | F660 G678 L685 A686 A697 A700 L701 I704 | F660-L682 HydrophobicContact CB-CD1 4.41Å; F660-L682 HydrophobicContact CB-CD2 3.71Å; F660-L682 HydrophobicContact CB-CG 4.33Å; F660-L682 HydrophobicContact CD1-CG 4.48Å; F660-L682 HydrophobicContact CD2-CD2 3.82Å; F660-L682 HydrophobicContact CD2-CG 4.17Å; F660-L682 HydrophobicContact CG-CD1 4.43Å; F660-L682 HydrophobicContact CG-CD2 3.85Å; F660-L682 HydrophobicContact CG-CG 4.11Å; G678-L682 PolarHBondContact O-N 3.11Å; L682-L685 HydrophobicContact CD2-CD1 4.5Å; L682-L685 PolarHBondContact O-N 3.06Å; L682-A686 WeakPolarHBondContact O-CB 3.49Å; L682-A686 PolarHBondContact O-N 3.5Å; L682-A697 HydrophobicContact CD2-CB 4.12Å; L682-A700 HydrophobicContact CD1-CB 3.83Å; L682-A700 HydrophobicContact CD2-CB 4.06Å; L682-L701 HydrophobicContact CB-CD1 4.42Å; L682-L701 HydrophobicContact CB-CD2 3.5Å; L682-L701 HydrophobicContact CB-CG 3.82Å; L682-L701 HydrophobicContact CD1-CD2 4.27Å; L682-I704 HydrophobicContact CD1-CD1 3.64Å |
| 683 | I | 88.9 | Confident | 86.9 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.6 | -55.8 | -179.1 | -62.8 | 171.3 | 0 | 0 | 0 | 112.7 | A681 L685 A686 T687 L701 F714 R718 E721 V722 | A681-I683 PolarHBondContact O-N 3.43Å; I683-L685 VanDerWaalsContact C-N 3.26Å; I683-L685 PolarHBondContact O-N 3.25Å; I683-A686 PolarHBondContact O-N 2.73Å; I683-A686 VanDerWaalsContact O-N 3.13Å; I683-T687 PolarHBondContact O-N 2.87Å; I683-T687 PolarHBondContact O-OG1 3.22Å; I683-L701 HydrophobicContact CG1-CD2 4.33Å; I683-F714 HydrophobicContact CD1-CD1 4.2Å; I683-R718 HydrophobicContact CD1-CB 3.84Å; I683-R718 HydrophobicContact CD1-CG 4.45Å; I683-E721 HydrophobicContact CG2-CB 3.82Å; I683-E721 WeakPolarHBondContact CG2-OE2 3.31Å; I683-V722 HydrophobicContact CD1-CG2 3.95Å; I683-V722 HydrophobicContact CG1-CG2 3.99Å |
| 684 | P | 86.4 | Confident | 86.9 | Confident | 56 Ų | 56 | 39.8 Ų | 39.8 | 36% | 0.364 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.7 | -29.2 | 177.7 | 25.1 | -35.1 | 0 | 0 | 0 | 113 | V641 A681 A686 T687 D688 | V641-P684 HydrophobicContact CG1-CG 3.89Å; A681-P684 VanDerWaalsContact O-CD 3.3Å; A681-P684 WeakPolarHBondContact O-CD 3.49Å; A681-P684 WeakPolarHBondContact O-CG 3.46Å; P684-A686 VanDerWaalsContact C-N 3.28Å; P684-A686 PolarHBondContact O-N 2.98Å; P684-T687 PolarHBondContact O-N 3.01Å; P684-T687 PolarHBondContact O-OG1 3.48Å; P684-T687 VanDerWaalsContact O-OG1 3.12Å; P684-D688 PolarHBondContact O-N 3.35Å |
| 685 | L | 88.3 | Confident | 86.9 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -71.2 | -23.9 | 175.5 | -66.1 | 175.7 | 0 | 0 | 0 | 113.2 | V641 R653 I656 F660 L682 I683 N689 A697 | V641-L685 HydrophobicContact CG1-CD2 4.47Å; V641-L685 HydrophobicContact CG1-CG 4.23Å; V641-L685 HydrophobicContact CG2-CD1 3.78Å; V641-L685 HydrophobicContact CG2-CD2 4.22Å; V641-L685 HydrophobicContact CG2-CG 4.15Å; R653-L685 HydrophobicContact CB-CD2 3.8Å; R653-L685 HydrophobicContact CG-CD2 4.05Å; I656-L685 HydrophobicContact CB-CD1 4.28Å; I656-L685 HydrophobicContact CG2-CD1 3.6Å; F660-L685 HydrophobicContact CD2-CD1 4.18Å; F660-L685 HydrophobicContact CE2-CD1 4.24Å; L682-L685 HydrophobicContact CD2-CD1 4.5Å; L682-L685 PolarHBondContact O-N 3.06Å; I683-L685 VanDerWaalsContact C-N 3.26Å; I683-L685 PolarHBondContact O-N 3.25Å; L685-N689 WeakPolarHBondContact O-CB 3.42Å; L685-N689 PolarHBondContact O-ND2 3Å; L685-A697 HydrophobicContact CB-CB 3.95Å |
| 686 | A | 87.5 | Confident | 87.1 | Confident | 2 Ų | 2 | 39 Ų | 39 | 2% | 0.017 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -84.3 | -16.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L682 I683 P684 A697 A698 L701 P725 | L682-A686 WeakPolarHBondContact O-CB 3.49Å; L682-A686 PolarHBondContact O-N 3.5Å; I683-A686 PolarHBondContact O-N 2.73Å; I683-A686 VanDerWaalsContact O-N 3.13Å; P684-A686 VanDerWaalsContact C-N 3.28Å; P684-A686 PolarHBondContact O-N 2.98Å; A686-A697 HydrophobicContact CB-CB 3.97Å; A686-A698 HydrophobicContact CB-CB 4.48Å; A686-L701 HydrophobicContact CB-CD1 3.73Å; A686-P725 HydrophobicContact CB-CB 3.78Å; A686-P725 HydrophobicContact CB-CG 3.74Å |
| 687 | T | 83.4 | Confident | 87.4 | Confident | 79 Ų | 79 | 35.6 Ų | 35.6 | 49% | 0.485 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -101.5 | -44.6 | 177 | 54.3 | 0 | 0 | 0 | 0 | 112.6 | I683 P684 K694 P725 | I683-T687 PolarHBondContact O-N 2.87Å; I683-T687 PolarHBondContact O-OG1 3.22Å; P684-T687 PolarHBondContact O-N 3.01Å; P684-T687 PolarHBondContact O-OG1 3.48Å; P684-T687 VanDerWaalsContact O-OG1 3.12Å; T687-K694 VanDerWaalsContact O-CE 3.26Å; T687-K694 WeakPolarHBondContact O-CE 3.3Å; T687-P725 HydrophobicContact CG2-CG 4.32Å |
| 688 | D | 80.3 | Confident | 87.7 | Confident | 93 Ų | 93 | 34.7 Ų | 34.7 | 50% | 0.497 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -120.3 | 81.9 | -172 | -170.3 | 19.2 | 0 | 0 | 0 | 112.4 | R653 P684 | R653-D688 WeakPolarHBondContact CD-O 3.15Å; R653-D688 IonicContact CZ-OD2 3.6Å; R653-D688 PolarHBondContact NH1-O 2.95Å; R653-D688 IonicContact NH1-OD1 3.81Å; R653-D688 PolarHBondContact NH1-OD1 3.13Å; R653-D688 IonicContact NH1-OD2 2.67Å; R653-D688 PolarHBondContact NH1-OD2 3.09Å; R653-D688 IonicContact NH2-OD2 2.75Å; P684-D688 PolarHBondContact O-N 3.35Å |
| 689 | N | 82.3 | Confident | 88.1 | Confident | 8 Ų | 8 | 35.3 Ų | 35.3 | 4% | 0.043 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -158.7 | 178.9 | -176.6 | -155.5 | -13.3 | 0 | 0 | 0 | 111.3 | E650 R653 E654 L685 K694 | E650-N689 PolarHBondContact O-OD1 3.18Å; R653-N689 VanDerWaalsContact CB-OD1 3.24Å; R653-N689 WeakPolarHBondContact CB-OD1 3.42Å; R653-N689 PolarHBondContact O-ND2 3.39Å; R653-N689 VanDerWaalsContact O-ND2 3.15Å; E654-N689 PolarHBondContact N-OD1 2.81Å; L685-N689 WeakPolarHBondContact O-CB 3.42Å; L685-N689 PolarHBondContact O-ND2 3Å; N689-K694 HydrophobicContact CB-CG 3.95Å; N689-K694 WeakPolarHBondContact O-CE 3.31Å; N689-K694 PolarHBondContact O-NZ 3.07Å; N689-K694 VanDerWaalsContact O-NZ 3.16Å |
| 690 | T | 84.9 | Confident | 88.5 | Confident | 28 Ų | 28 | 35.3 Ų | 35.3 | 17% | 0.172 | 19% | 0.187 | C | C | . | . | trans | -58.9 | 156.2 | 165.7 | 66 | 0 | 0 | 0 | 0 | 110 | E650 E654 I692 G693 K694 | E650-T690 HydrophobicContact CB-CG2 3.81Å; E654-T690 HydrophobicContact CB-CG2 4.44Å; E654-T690 WeakPolarHBondContact OE2-CB 3.23Å; E654-T690 WeakPolarHBondContact OE2-CG2 3.41Å; E654-T690 PolarHBondContact OE2-OG1 3.5Å; T690-I692 PolarHBondContact O-N 3.25Å; T690-G693 CarbonylContact O-C 3.11Å; T690-G693 PolarHBondContact O-N 3.21Å; T690-G693 PolarHBondContact OG1-N 2.94Å; T690-K694 WeakPolarHBondContact O-CG 3.24Å; T690-K694 PolarHBondContact O-N 3.24Å | ||
| 691 | D | 84.9 | Confident | 88.8 | Confident | 122 Ų | 122 | 30.9 Ų | 30.9 | 65% | 0.652 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -61.9 | -35.9 | -178.6 | -64.9 | -32.9 | 0 | 0 | 0 | 111.8 | K694 V695 | D691-K694 IonicContact OD1-NZ 3.74Å; D691-K694 PolarHBondContact OD1-NZ 3.22Å; D691-V695 WeakPolarHBondContact O-CG2 3.46Å; D691-V695 PolarHBondContact O-N 2.64Å |
| 692 | I | 87 | Confident | 89.1 | Confident | 83 Ų | 83 | 30.7 Ų | 30.7 | 43% | 0.426 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -64.3 | -49.3 | 171.1 | -57.4 | 172 | 0 | 0 | 0 | 110.3 | T690 K694 V695 K696 | T690-I692 PolarHBondContact O-N 3.25Å; I692-K694 VanDerWaalsContact C-N 3.32Å; I692-K694 PolarHBondContact O-N 3.26Å; I692-V695 PolarHBondContact O-N 2.53Å; I692-V695 VanDerWaalsContact O-N 3.17Å; I692-K696 HydrophobicContact CG2-CG 4.26Å; I692-K696 WeakPolarHBondContact O-CG 3.47Å; I692-K696 PolarHBondContact O-N 3.41Å |
| 693 | G | 88.1 | Confident | 89.3 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.3 | -39.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | T690 K696 A697 | T690-G693 CarbonylContact O-C 3.11Å; T690-G693 PolarHBondContact O-N 3.21Å; T690-G693 PolarHBondContact OG1-N 2.94Å; G693-K696 PolarHBondContact O-N 2.79Å; G693-A697 VanDerWaalsContact O-CB 3.27Å; G693-A697 WeakPolarHBondContact O-CB 3.47Å; G693-A697 PolarHBondContact O-N 2.84Å |
| 694 | K | 90.1 | Very high | 89.5 | Confident | 60 Ų | 60 | 31.3 Ų | 31.3 | 26% | 0.261 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -60.8 | -46.5 | 174.5 | -71 | 176.5 | -168 | 133.2 | 0 | 111.2 | T687 N689 T690 D691 I692 A697 A698 | T687-K694 VanDerWaalsContact O-CE 3.26Å; T687-K694 WeakPolarHBondContact O-CE 3.3Å; N689-K694 HydrophobicContact CB-CG 3.95Å; N689-K694 WeakPolarHBondContact O-CE 3.31Å; N689-K694 PolarHBondContact O-NZ 3.07Å; N689-K694 VanDerWaalsContact O-NZ 3.16Å; T690-K694 WeakPolarHBondContact O-CG 3.24Å; T690-K694 PolarHBondContact O-N 3.24Å; D691-K694 IonicContact OD1-NZ 3.74Å; D691-K694 PolarHBondContact OD1-NZ 3.22Å; I692-K694 VanDerWaalsContact C-N 3.32Å; I692-K694 PolarHBondContact O-N 3.26Å; K694-A697 PolarHBondContact O-N 3.29Å; K694-A698 WeakPolarHBondContact O-CB 3.41Å; K694-A698 PolarHBondContact O-N 3.46Å |
| 695 | V | 91.4 | Very high | 89.8 | Confident | 42 Ų | 42 | 28.6 Ų | 28.6 | 26% | 0.255 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -62.9 | -46.8 | 178.7 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | D691 I692 A697 A698 Q699 L729 | D691-V695 WeakPolarHBondContact O-CG2 3.46Å; D691-V695 PolarHBondContact O-N 2.64Å; I692-V695 PolarHBondContact O-N 2.53Å; I692-V695 VanDerWaalsContact O-N 3.17Å; V695-A697 PolarHBondContact O-N 3.38Å; V695-A698 PolarHBondContact O-N 2.93Å; V695-Q699 WeakPolarHBondContact O-CB 3.25Å; V695-Q699 PolarHBondContact O-N 3.29Å; V695-L729 HydrophobicContact CB-CD2 4.4Å; V695-L729 HydrophobicContact CG1-CD2 3.87Å |
| 696 | K | 91.9 | Very high | 90 | Very high | 51 Ų | 51 | 30.2 Ų | 30.2 | 22% | 0.222 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64 | -42.6 | 179 | -60 | -66.6 | 177.3 | 176.2 | 0 | 112.1 | A657 R658 L661 I692 G693 Q699 A700 | A657-K696 HydrophobicContact CB-CB 4.44Å; R658-K696 HydrophobicContact CG-CG 4.49Å; L661-K696 HydrophobicContact CD2-CB 4.2Å; L661-K696 HydrophobicContact CD2-CD 3.53Å; L661-K696 HydrophobicContact CD2-CG 4.41Å; I692-K696 HydrophobicContact CG2-CG 4.26Å; I692-K696 WeakPolarHBondContact O-CG 3.47Å; I692-K696 PolarHBondContact O-N 3.41Å; G693-K696 PolarHBondContact O-N 2.79Å; K696-Q699 PolarHBondContact O-N 3.41Å; K696-A700 PolarHBondContact O-N 3.16Å |
| 697 | A | 93.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.6 | -43.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A657 L682 L685 A686 G693 K694 V695 Q699 A700 L701 | A657-A697 HydrophobicContact CB-CB 3.94Å; L682-A697 HydrophobicContact CD2-CB 4.12Å; L685-A697 HydrophobicContact CB-CB 3.95Å; A686-A697 HydrophobicContact CB-CB 3.97Å; G693-A697 VanDerWaalsContact O-CB 3.27Å; G693-A697 WeakPolarHBondContact O-CB 3.47Å; G693-A697 PolarHBondContact O-N 2.84Å; K694-A697 PolarHBondContact O-N 3.29Å; V695-A697 PolarHBondContact O-N 3.38Å; A697-Q699 VanDerWaalsContact C-N 3.31Å; A697-Q699 PolarHBondContact O-N 2.97Å; A697-A700 PolarHBondContact O-N 3.42Å; A697-L701 WeakPolarHBondContact O-CG 3.3Å; A697-L701 PolarHBondContact O-N 3.25Å |
| 698 | A | 94.2 | Very high | 90.3 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 3% | 0.025 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.1 | -38.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A686 K694 V695 L701 A702 P725 L729 | A686-A698 HydrophobicContact CB-CB 4.48Å; K694-A698 WeakPolarHBondContact O-CB 3.41Å; K694-A698 PolarHBondContact O-N 3.46Å; V695-A698 PolarHBondContact O-N 2.93Å; A698-L701 WeakPolarHBondContact O-CB 3.22Å; A698-L701 PolarHBondContact O-N 2.86Å; A698-A702 PolarHBondContact O-N 3.23Å; A698-P725 HydrophobicContact CB-CB 3.92Å; A698-L729 HydrophobicContact CB-CD1 3.74Å; A698-L729 HydrophobicContact CB-CD2 3.9Å; A698-L729 HydrophobicContact CB-CG 3.69Å |
| 699 | Q | 94.4 | Very high | 90.6 | Very high | 14 Ų | 14 | 29.2 Ų | 29.2 | 7% | 0.065 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.4 | -41.5 | 176.7 | -170.3 | 178.3 | 4.6 | 0 | 0 | 111.4 | L661 V695 K696 A697 L701 A702 K703 Q738 E741 | L661-Q699 HydrophobicContact CD1-CB 4.03Å; L661-Q699 HydrophobicContact CD1-CG 3.86Å; V695-Q699 WeakPolarHBondContact O-CB 3.25Å; V695-Q699 PolarHBondContact O-N 3.29Å; K696-Q699 PolarHBondContact O-N 3.41Å; A697-Q699 VanDerWaalsContact C-N 3.31Å; A697-Q699 PolarHBondContact O-N 2.97Å; Q699-L701 VanDerWaalsContact C-N 3.35Å; Q699-L701 PolarHBondContact O-N 3.44Å; Q699-A702 WeakPolarHBondContact O-CB 3.35Å; Q699-A702 PolarHBondContact O-N 2.94Å; Q699-K703 PolarHBondContact O-N 2.99Å; Q699-Q738 HydrophobicContact CG-CG 4.16Å; Q699-E741 WeakPolarHBondContact CG-OE2 3.46Å; Q699-E741 PolarHBondContact NE2-OE2 3.44Å |
| 700 | A | 94.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.1 | -41.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L661 L682 K696 A697 A702 K703 I704 | L661-A700 HydrophobicContact CB-CB 4.43Å; L661-A700 HydrophobicContact CD1-CB 4.25Å; L682-A700 HydrophobicContact CD1-CB 3.83Å; L682-A700 HydrophobicContact CD2-CB 4.06Å; K696-A700 PolarHBondContact O-N 3.16Å; A697-A700 PolarHBondContact O-N 3.42Å; A700-A702 VanDerWaalsContact C-N 3.34Å; A700-A702 PolarHBondContact O-N 3.41Å; A700-K703 PolarHBondContact O-N 2.88Å; A700-I704 WeakPolarHBondContact O-CG1 3.43Å; A700-I704 PolarHBondContact O-N 3.42Å; A700-I704 VanDerWaalsContact O-N 3.12Å |
| 701 | L | 94.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.8 | -41.6 | 173.4 | -72.3 | 172.1 | 0 | 0 | 0 | 112.1 | L682 I683 A686 A697 A698 Q699 I704 A705 F714 P725 | L682-L701 HydrophobicContact CB-CD1 4.42Å; L682-L701 HydrophobicContact CB-CD2 3.5Å; L682-L701 HydrophobicContact CB-CG 3.82Å; L682-L701 HydrophobicContact CD1-CD2 4.27Å; I683-L701 HydrophobicContact CG1-CD2 4.33Å; A686-L701 HydrophobicContact CB-CD1 3.73Å; A697-L701 WeakPolarHBondContact O-CG 3.3Å; A697-L701 PolarHBondContact O-N 3.25Å; A698-L701 WeakPolarHBondContact O-CB 3.22Å; A698-L701 PolarHBondContact O-N 2.86Å; Q699-L701 VanDerWaalsContact C-N 3.35Å; Q699-L701 PolarHBondContact O-N 3.44Å; L701-I704 PolarHBondContact O-N 3.36Å; L701-A705 WeakPolarHBondContact O-CB 3.44Å; L701-A705 PolarHBondContact O-N 3.41Å; L701-F714 HydrophobicContact CD2-CE1 3.56Å; L701-F714 HydrophobicContact CD2-CZ 3.88Å; L701-P725 HydrophobicContact CD1-CB 4.49Å |
| 702 | A | 94.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60 | -51.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | A698 Q699 A700 I704 A705 I706 L726 L729 E741 A745 | A698-A702 PolarHBondContact O-N 3.23Å; Q699-A702 WeakPolarHBondContact O-CB 3.35Å; Q699-A702 PolarHBondContact O-N 2.94Å; A700-A702 VanDerWaalsContact C-N 3.34Å; A700-A702 PolarHBondContact O-N 3.41Å; A702-I704 VanDerWaalsContact C-N 3.29Å; A702-I704 PolarHBondContact O-N 2.91Å; A702-A705 PolarHBondContact O-N 2.85Å; A702-A705 VanDerWaalsContact O-N 3.13Å; A702-I706 VanDerWaalsContact O-CG1 3.23Å; A702-I706 WeakPolarHBondContact O-CG1 3.36Å; A702-I706 PolarHBondContact O-N 3.21Å; A702-L726 HydrophobicContact CB-CD2 3.63Å; A702-L729 HydrophobicContact CB-CD1 4.43Å; A702-E741 HydrophobicContact CB-CB 4.11Å; A702-A745 HydrophobicContact CB-CB 4.1Å |
| 703 | K | 94.3 | Very high | 90.7 | Very high | 13 Ų | 13 | 29.9 Ų | 29.9 | 6% | 0.057 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.3 | -37.1 | 177.6 | -73.4 | -176 | 173 | -176 | 0 | 113.6 | L661 V664 D665 R670 Q699 A700 T707 E741 | L661-K703 HydrophobicContact CD1-CD 4.39Å; V664-K703 HydrophobicContact CG1-CB 3.36Å; V664-K703 HydrophobicContact CG1-CD 4.07Å; V664-K703 HydrophobicContact CG1-CG 4.34Å; D665-K703 IonicContact OD1-NZ 3.92Å; D665-K703 PolarHBondContact OD1-NZ 3.27Å; R670-K703 PolarHBondContact NH1-O 3.37Å; Q699-K703 PolarHBondContact O-N 2.99Å; A700-K703 PolarHBondContact O-N 2.88Å; K703-T707 PolarHBondContact O-OG1 2.96Å; K703-E741 VanDerWaalsContact CE-CD 3.49Å; K703-E741 WeakPolarHBondContact CE-OE1 3.44Å; K703-E741 IonicContact NZ-OE1 3.62Å |
| 704 | I | 93.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.5 | -50.1 | 174.3 | -68.5 | 167.3 | 0 | 0 | 0 | 110.5 | V664 L673 V674 L682 A700 L701 A702 I706 T707 S708 A713 F714 | V664-I704 HydrophobicContact CG1-CG1 3.95Å; V664-I704 HydrophobicContact CG2-CD1 4.05Å; V664-I704 HydrophobicContact CG2-CG1 4.08Å; L673-I704 HydrophobicContact CD2-CD1 3.7Å; L673-I704 HydrophobicContact CD2-CG1 4.5Å; V674-I704 HydrophobicContact CG2-CG2 3.53Å; L682-I704 HydrophobicContact CD1-CD1 3.64Å; A700-I704 WeakPolarHBondContact O-CG1 3.43Å; A700-I704 PolarHBondContact O-N 3.42Å; A700-I704 VanDerWaalsContact O-N 3.12Å; L701-I704 PolarHBondContact O-N 3.36Å; A702-I704 VanDerWaalsContact C-N 3.29Å; A702-I704 PolarHBondContact O-N 2.91Å; I704-I706 PolarHBondContact O-N 3.44Å; I704-T707 PolarHBondContact O-N 2.75Å; I704-T707 VanDerWaalsContact O-N 3.16Å; I704-T707 PolarHBondContact O-OG1 3.08Å; I704-S708 WeakPolarHBondContact O-CB 3.48Å; I704-S708 PolarHBondContact O-N 3.28Å; I704-A713 HydrophobicContact CG2-CB 3.93Å; I704-F714 HydrophobicContact CB-CZ 4.44Å; I704-F714 HydrophobicContact CG2-CZ 3.93Å |
| 705 | A | 92.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.7 | -24.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L701 A702 F714 A745 N748 | L701-A705 WeakPolarHBondContact O-CB 3.44Å; L701-A705 PolarHBondContact O-N 3.41Å; A702-A705 PolarHBondContact O-N 2.85Å; A702-A705 VanDerWaalsContact O-N 3.13Å; A705-F714 HydrophobicContact CB-CE2 4.09Å; A705-A745 HydrophobicContact CB-CB 3.79Å; A705-N748 PolarHBondContact O-ND2 3.43Å |
| 706 | I | 92.5 | Very high | 89.8 | Confident | 37 Ų | 37 | 32 Ų | 32 | 19% | 0.19 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.9 | -39.7 | 174.4 | -71.2 | 166.4 | 0 | 0 | 0 | 111.8 | A702 I704 E741 M744 A745 N748 | A702-I706 VanDerWaalsContact O-CG1 3.23Å; A702-I706 WeakPolarHBondContact O-CG1 3.36Å; A702-I706 PolarHBondContact O-N 3.21Å; I704-I706 PolarHBondContact O-N 3.44Å; I706-E741 HydrophobicContact CD1-CB 4.05Å; I706-E741 HydrophobicContact CD1-CG 4.26Å; I706-E741 WeakPolarHBondContact CD1-O 3.45Å; I706-M744 HydrophobicContact CB-CE 4.43Å; I706-M744 HydrophobicContact CD1-CB 3.98Å; I706-M744 HydrophobicContact CD1-CE 4.32Å; I706-M744 HydrophobicContact CG1-CB 3.79Å; I706-M744 HydrophobicContact CG1-CE 4.19Å; I706-M744 HydrophobicContact CG2-CE 3.42Å; I706-M744 VanDerWaalsContact CG2-CE 3.42Å; I706-A745 HydrophobicContact CG1-CB 4.34Å; I706-N748 PolarHBondContact O-ND2 3.13Å |
| 707 | T | 90.4 | Very high | 89.4 | Confident | 48 Ų | 48 | 36.9 Ų | 36.9 | 29% | 0.294 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -108.8 | -30.9 | -165.2 | 48.7 | 0 | 0 | 0 | 0 | 114.3 | Q667 R670 K703 I704 | Q667-T707 HydrophobicContact CG-CG2 3.96Å; R670-T707 WeakPolarHBondContact CD-OG1 3.5Å; K703-T707 PolarHBondContact O-OG1 2.96Å; I704-T707 PolarHBondContact O-N 2.75Å; I704-T707 VanDerWaalsContact O-N 3.16Å; I704-T707 PolarHBondContact O-OG1 3.08Å |
| 708 | S | 87.1 | Confident | 88.8 | Confident | 25 Ų | 25 | 40.8 Ų | 40.8 | 18% | 0.175 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -100.3 | 144.7 | 177.5 | -59.8 | 0 | 0 | 0 | 0 | 109.6 | I704 P710 | I704-S708 WeakPolarHBondContact O-CB 3.48Å; I704-S708 PolarHBondContact O-N 3.28Å; S708-P710 WeakPolarHBondContact O-CD 3.26Å; S708-P710 VanDerWaalsContact O-N 3.11Å |
| 709 | N | 87.3 | Confident | 88.6 | Confident | 79 Ų | 79 | 41.2 Ų | 41.2 | 42% | 0.422 | 23% | 0.227 | S | C | . | . | trans | -56.4 | 119.2 | 172.1 | -178.5 | -19.4 | 0 | 0 | 0 | 109.1 | E711 I712 A713 | N709-E711 PolarHBondContact O-N 3.32Å; N709-E711 VanDerWaalsContact O-N 3.16Å; N709-E711 PolarHBondContact OD1-N 3.24Å; N709-I712 HydrophobicContact CB-CD1 4.14Å; N709-I712 HydrophobicContact CB-CG1 4.23Å; N709-I712 PolarHBondContact O-N 2.92Å; N709-A713 PolarHBondContact O-N 3.48Å | ||
| 710 | P | 85.5 | Confident | 88.3 | Confident | 8 Ų | 8 | 43.9 Ų | 43.9 | 5% | 0.052 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.1 | -27.1 | -176.5 | -27 | 36.4 | 0 | 0 | 0 | 114.6 | S708 I712 F714 I719 N748 L749 I752 | S708-P710 WeakPolarHBondContact O-CD 3.26Å; S708-P710 VanDerWaalsContact O-N 3.11Å; P710-I712 VanDerWaalsContact C-N 3.33Å; P710-F714 HydrophobicContact CB-CD2 4.33Å; P710-F714 PolarHBondContact O-N 3.36Å; P710-I719 HydrophobicContact CB-CD1 4.02Å; P710-N748 HydrophobicContact CG-CB 4.44Å; P710-L749 HydrophobicContact CB-CD2 3.6Å; P710-L749 HydrophobicContact CG-CD2 4.08Å; P710-I752 HydrophobicContact CB-CD1 3.71Å; P710-I752 HydrophobicContact CG-CD1 3.79Å |
| 711 | E | 85.3 | Confident | 88 | Confident | 115 Ų | 115 | 48.5 Ų | 48.5 | 54% | 0.537 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.9 | -33.9 | 176.2 | -63.1 | -171.8 | 143.1 | 0 | 0 | 112.4 | N709 I752 | N709-E711 PolarHBondContact O-N 3.32Å; N709-E711 VanDerWaalsContact O-N 3.16Å; N709-E711 PolarHBondContact OD1-N 3.24Å; E711-I752 HydrophobicContact CG-CD1 4.42Å; E711-I752 HydrophobicContact CG-CG2 4.11Å; E711-I752 WeakPolarHBondContact OE1-CG2 3.25Å |
| 712 | I | 85.8 | Confident | 87.8 | Confident | 126 Ų | 126 | 48.5 Ų | 48.5 | 65% | 0.646 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -81.2 | -42.4 | 176.7 | -58.8 | 177.7 | 0 | 0 | 0 | 109.8 | N709 P710 F714 | N709-I712 HydrophobicContact CB-CD1 4.14Å; N709-I712 HydrophobicContact CB-CG1 4.23Å; N709-I712 PolarHBondContact O-N 2.92Å; P710-I712 VanDerWaalsContact C-N 3.33Å; I712-F714 VanDerWaalsContact C-N 3.33Å; I712-F714 PolarHBondContact O-N 3.44Å |
| 713 | A | 84.3 | Confident | 87.7 | Confident | 6 Ų | 6 | 48.5 Ų | 48.5 | 5% | 0.05 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.9 | -34.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V674 I704 N709 | V674-A713 HydrophobicContact CG1-CB 4.13Å; V674-A713 HydrophobicContact CG2-CB 4.33Å; I704-A713 HydrophobicContact CG2-CB 3.93Å; N709-A713 PolarHBondContact O-N 3.48Å |
| 714 | F | 86.4 | Confident | 87.6 | Confident | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.009 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -132.7 | 77.9 | -175 | -47.4 | -66.1 | 0 | 0 | 0 | 111.2 | I683 L701 I704 A705 P710 I712 I719 V722 | I683-F714 HydrophobicContact CD1-CD1 4.2Å; L701-F714 HydrophobicContact CD2-CE1 3.56Å; L701-F714 HydrophobicContact CD2-CZ 3.88Å; I704-F714 HydrophobicContact CB-CZ 4.44Å; I704-F714 HydrophobicContact CG2-CZ 3.93Å; A705-F714 HydrophobicContact CB-CE2 4.09Å; P710-F714 HydrophobicContact CB-CD2 4.33Å; P710-F714 PolarHBondContact O-N 3.36Å; I712-F714 VanDerWaalsContact C-N 3.33Å; I712-F714 PolarHBondContact O-N 3.44Å; F714-I719 HydrophobicContact CB-CB 4.19Å; F714-I719 HydrophobicContact CB-CG1 4.45Å; F714-V722 HydrophobicContact CB-CG2 4.47Å; F714-V722 HydrophobicContact CD1-CG2 3.89Å; F714-V722 HydrophobicContact CD2-CG2 4.16Å; F714-V722 HydrophobicContact CE1-CG2 4.12Å; F714-V722 HydrophobicContact CE2-CG1 4.49Å; F714-V722 HydrophobicContact CE2-CG2 4.39Å; F714-V722 HydrophobicContact CG-CG2 3.9Å; F714-V722 HydrophobicContact CZ-CG2 4.36Å |
| 715 | P | 81.4 | Confident | 87.5 | Confident | 82 Ų | 82 | 53.5 Ų | 53.5 | 53% | 0.532 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | 140.2 | -172.5 | 26.8 | -34.7 | 0 | 0 | 0 | 113.2 | ||
| 716 | G | 83.1 | Confident | 87.6 | Confident | 64 Ų | 64 | 53.5 Ų | 53.5 | 66% | 0.66 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | -136.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | R718 I719 | G716-R718 PolarHBondContact O-N 2.91Å; G716-I719 WeakPolarHBondContact O-CG2 3.41Å |
| 717 | E | 82.8 | Confident | 87.6 | Confident | 153 Ų | 153 | 51.9 Ų | 51.9 | 72% | 0.715 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -14.2 | -177.7 | -64.7 | -177.3 | 159.7 | 0 | 0 | 113.8 | I719 Y720 | E717-I719 PolarHBondContact O-N 3.38Å; E717-Y720 HydrophobicContact CB-CD2 4.49Å; E717-Y720 VanDerWaalsContact O-CD2 3.24Å; E717-Y720 WeakPolarHBondContact O-CD2 3.43Å; E717-Y720 PolarHBondContact O-N 3.4Å |
| 718 | R | 82.3 | Confident | 87.6 | Confident | 82 Ų | 82 | 52.7 Ų | 52.7 | 31% | 0.309 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66 | -26.1 | -176.6 | -69.4 | 176.9 | -176.4 | -101.9 | -7.8 | 113.2 | K680 I683 G716 Y720 E721 V722 | K680-R718 VanDerWaalsContact CE-CZ 3.49Å; I683-R718 HydrophobicContact CD1-CB 3.84Å; I683-R718 HydrophobicContact CD1-CG 4.45Å; G716-R718 PolarHBondContact O-N 2.91Å; R718-Y720 PolarHBondContact O-N 2.78Å; R718-E721 WeakPolarHBondContact O-CB 3.45Å; R718-E721 PolarHBondContact O-N 3.47Å; R718-E721 VanDerWaalsContact O-N 3.07Å; R718-V722 PolarHBondContact O-N 2.89Å |
| 719 | I | 88.4 | Confident | 87.8 | Confident | 12 Ų | 12 | 51.6 Ų | 51.6 | 6% | 0.062 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.7 | -31.4 | 176.8 | -163.7 | 165.9 | 0 | 0 | 0 | 112.2 | P710 F714 G716 E717 L749 I752 L756 | P710-I719 HydrophobicContact CB-CD1 4.02Å; F714-I719 HydrophobicContact CB-CB 4.19Å; F714-I719 HydrophobicContact CB-CG1 4.45Å; G716-I719 WeakPolarHBondContact O-CG2 3.41Å; E717-I719 PolarHBondContact O-N 3.38Å; I719-L749 HydrophobicContact CD1-CD2 4.01Å; I719-L749 HydrophobicContact CG1-CD2 3.79Å; I719-I752 HydrophobicContact CD1-CD1 4.33Å; I719-L756 HydrophobicContact CD1-CD1 3.85Å; I719-L756 HydrophobicContact CG1-CD1 4.14Å; I719-L756 HydrophobicContact CG1-CD2 4.17Å; I719-L756 HydrophobicContact CG2-CD2 4.28Å |
| 720 | Y | 88.9 | Confident | 87.9 | Confident | 70 Ų | 70 | 48.1 Ų | 48.1 | 28% | 0.275 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -75.6 | -26 | 178.4 | -55.1 | -71.8 | 0 | 0 | 0 | 112.8 | E717 R718 V722 R755 L756 | E717-Y720 HydrophobicContact CB-CD2 4.49Å; E717-Y720 VanDerWaalsContact O-CD2 3.24Å; E717-Y720 WeakPolarHBondContact O-CD2 3.43Å; E717-Y720 PolarHBondContact O-N 3.4Å; R718-Y720 PolarHBondContact O-N 2.78Å; Y720-V722 VanDerWaalsContact C-N 3.33Å; Y720-R755 HydrophobicContact CE1-CB 3.9Å; Y720-L756 HydrophobicContact CD1-CD2 3.58Å; Y720-L756 HydrophobicContact CD1-CG 4.13Å; Y720-L756 HydrophobicContact CE1-CD2 3.88Å; Y720-L756 HydrophobicContact CE1-CG 3.9Å; Y720-L756 HydrophobicContact CG-CD2 4.45Å |
| 721 | E | 88.4 | Confident | 87.9 | Confident | 96 Ų | 96 | 52.3 Ų | 52.3 | 45% | 0.449 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -71.9 | -30 | 178.3 | -63.7 | 173.9 | -140.1 | 0 | 0 | 111.5 | I683 R718 V723 P725 | I683-E721 HydrophobicContact CG2-CB 3.82Å; I683-E721 WeakPolarHBondContact CG2-OE2 3.31Å; R718-E721 WeakPolarHBondContact O-CB 3.45Å; R718-E721 PolarHBondContact O-N 3.47Å; R718-E721 VanDerWaalsContact O-N 3.07Å; E721-V723 VanDerWaalsContact C-N 3.25Å; E721-V723 PolarHBondContact O-N 3.25Å; E721-P725 WeakPolarHBondContact O-CD 3.3Å |
| 722 | V | 90.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -26.2 | -179.9 | 179.8 | 0 | 0 | 0 | 0 | 112.5 | I683 F714 R718 Y720 R724 P725 L726 L749 | I683-V722 HydrophobicContact CD1-CG2 3.95Å; I683-V722 HydrophobicContact CG1-CG2 3.99Å; F714-V722 HydrophobicContact CB-CG2 4.47Å; F714-V722 HydrophobicContact CD1-CG2 3.89Å; F714-V722 HydrophobicContact CD2-CG2 4.16Å; F714-V722 HydrophobicContact CE1-CG2 4.12Å; F714-V722 HydrophobicContact CE2-CG1 4.49Å; F714-V722 HydrophobicContact CE2-CG2 4.39Å; F714-V722 HydrophobicContact CG-CG2 3.9Å; F714-V722 HydrophobicContact CZ-CG2 4.36Å; R718-V722 PolarHBondContact O-N 2.89Å; Y720-V722 VanDerWaalsContact C-N 3.33Å; V722-R724 PolarHBondContact O-N 3.46Å; V722-P725 WeakPolarHBondContact O-CD 3.24Å; V722-L726 HydrophobicContact CG1-CD1 3.8Å; V722-L726 HydrophobicContact CG1-CG 4.08Å; V722-L726 WeakPolarHBondContact O-CG 3.35Å; V722-L726 PolarHBondContact O-N 3.16Å; V722-L749 HydrophobicContact CG1-CD1 4.47Å |
| 723 | V | 92.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.8 | -44.7 | -177 | 177.7 | 0 | 0 | 0 | 0 | 112 | E721 L726 V727 L756 K759 I760 E763 | E721-V723 VanDerWaalsContact C-N 3.25Å; E721-V723 PolarHBondContact O-N 3.25Å; V723-L726 PolarHBondContact O-N 3.02Å; V723-V727 HydrophobicContact CG1-CG2 4.22Å; V723-V727 VanDerWaalsContact O-CG2 3.31Å; V723-V727 WeakPolarHBondContact O-CG2 3.37Å; V723-V727 PolarHBondContact O-N 3.47Å; V723-L756 HydrophobicContact CG2-CD2 4.13Å; V723-K759 HydrophobicContact CB-CG 4.12Å; V723-K759 HydrophobicContact CG1-CG 4.21Å; V723-K759 HydrophobicContact CG2-CG 4.09Å; V723-I760 HydrophobicContact CG1-CB 4.3Å; V723-I760 HydrophobicContact CG1-CG1 3.65Å; V723-I760 HydrophobicContact CG2-CG1 4.27Å; V723-E763 HydrophobicContact CG1-CG 4.2Å |
| 724 | R | 90.8 | Very high | 87.2 | Confident | 118 Ų | 118 | 57.8 Ų | 57.8 | 45% | 0.445 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.8 | -48.9 | -175.7 | 179.8 | 79.6 | -173.6 | 177.4 | 3.3 | 112.2 | V722 L726 V727 N728 E763 | V722-R724 PolarHBondContact O-N 3.46Å; R724-L726 VanDerWaalsContact C-N 3.34Å; R724-L726 PolarHBondContact O-N 3.32Å; R724-V727 PolarHBondContact O-N 3.22Å; R724-N728 PolarHBondContact O-N 3.21Å; R724-N728 VanDerWaalsContact O-N 3.09Å; R724-E763 WeakPolarHBondContact CD-OE2 3.35Å; R724-E763 IonicContact CZ-OE2 3.77Å; R724-E763 IonicContact NE-OE2 3.06Å; R724-E763 IonicContact NH1-OE2 2.85Å; R724-E763 PolarHBondContact NH1-OE2 2.76Å |
| 725 | P | 92.8 | Very high | 87.3 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.006 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -55 | -42.9 | 172.3 | -29.9 | 35.8 | 0 | 0 | 0 | 114.7 | A686 T687 A698 L701 E721 V722 N728 L729 | A686-P725 HydrophobicContact CB-CB 3.78Å; A686-P725 HydrophobicContact CB-CG 3.74Å; T687-P725 HydrophobicContact CG2-CG 4.32Å; A698-P725 HydrophobicContact CB-CB 3.92Å; L701-P725 HydrophobicContact CD1-CB 4.49Å; E721-P725 WeakPolarHBondContact O-CD 3.3Å; V722-P725 WeakPolarHBondContact O-CD 3.24Å; P725-N728 WeakPolarHBondContact O-CB 3.39Å; P725-N728 PolarHBondContact O-N 2.97Å; P725-L729 PolarHBondContact O-N 3.3Å |
| 726 | L | 93.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 179 | -65.9 | 177.6 | 0 | 0 | 0 | 111.5 | A702 V722 V723 R724 N728 L729 S742 A745 L746 L749 | A702-L726 HydrophobicContact CB-CD2 3.63Å; V722-L726 HydrophobicContact CG1-CD1 3.8Å; V722-L726 HydrophobicContact CG1-CG 4.08Å; V722-L726 WeakPolarHBondContact O-CG 3.35Å; V722-L726 PolarHBondContact O-N 3.16Å; V723-L726 PolarHBondContact O-N 3.02Å; R724-L726 VanDerWaalsContact C-N 3.34Å; R724-L726 PolarHBondContact O-N 3.32Å; L726-N728 PolarHBondContact O-N 3.02Å; L726-L729 HydrophobicContact CD2-CD1 4.49Å; L726-L729 WeakPolarHBondContact O-CB 3.32Å; L726-L729 PolarHBondContact O-N 2.67Å; L726-L729 VanDerWaalsContact O-N 3.1Å; L726-S742 VanDerWaalsContact C-OG 3.3Å; L726-S742 PolarHBondContact O-OG 3.17Å; L726-A745 HydrophobicContact CD1-CB 3.85Å; L726-A745 HydrophobicContact CD2-CB 4.06Å; L726-L746 HydrophobicContact CB-CD1 4.41Å; L726-L746 HydrophobicContact CB-CD2 3.91Å; L726-L746 HydrophobicContact CB-CG 4.01Å; L726-L746 HydrophobicContact CD1-CD2 4.07Å; L726-L746 HydrophobicContact CD1-CG 4.28Å; L726-L749 HydrophobicContact CD1-CD1 3.57Å |
| 727 | V | 92.2 | Very high | 87.8 | Confident | 3 Ų | 3 | 62.9 Ų | 62.9 | 2% | 0.018 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.4 | -28.1 | 176.4 | 175.8 | 0 | 0 | 0 | 0 | 112.4 | V723 R724 L729 L730 L746 E763 A765 K768 | V723-V727 HydrophobicContact CG1-CG2 4.22Å; V723-V727 VanDerWaalsContact O-CG2 3.31Å; V723-V727 WeakPolarHBondContact O-CG2 3.37Å; V723-V727 PolarHBondContact O-N 3.47Å; R724-V727 PolarHBondContact O-N 3.22Å; V727-L729 VanDerWaalsContact C-N 3.34Å; V727-L730 WeakPolarHBondContact O-CB 3.31Å; V727-L730 PolarHBondContact O-N 2.9Å; V727-L746 HydrophobicContact CG2-CD1 4.41Å; V727-L746 HydrophobicContact CG2-CD2 4.42Å; V727-E763 HydrophobicContact CG2-CB 4.39Å; V727-A765 HydrophobicContact CG1-CB 4.06Å; V727-A765 HydrophobicContact CG2-CB 3.64Å; V727-K768 HydrophobicContact CG1-CD 4.5Å; V727-K768 PolarHBondContact O-NZ 2.82Å |
| 728 | N | 90.3 | Very high | 88.2 | Confident | 65 Ų | 65 | 56.3 Ų | 56.3 | 35% | 0.348 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -69 | -32.8 | 174 | -69.9 | -18.1 | 0 | 0 | 0 | 112.1 | R724 P725 L726 L730 H731 | R724-N728 PolarHBondContact O-N 3.21Å; R724-N728 VanDerWaalsContact O-N 3.09Å; P725-N728 WeakPolarHBondContact O-CB 3.39Å; P725-N728 PolarHBondContact O-N 2.97Å; L726-N728 PolarHBondContact O-N 3.02Å; N728-L730 PolarHBondContact O-N 2.96Å; N728-H731 PolarHBondContact O-N 2.7Å |
| 729 | L | 90.8 | Very high | 88.7 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -13.3 | 174.3 | -69.1 | 178.2 | 0 | 0 | 0 | 113.8 | V695 A698 A702 P725 L726 V727 H731 C734 N739 | V695-L729 HydrophobicContact CB-CD2 4.4Å; V695-L729 HydrophobicContact CG1-CD2 3.87Å; A698-L729 HydrophobicContact CB-CD1 3.74Å; A698-L729 HydrophobicContact CB-CD2 3.9Å; A698-L729 HydrophobicContact CB-CG 3.69Å; A702-L729 HydrophobicContact CB-CD1 4.43Å; P725-L729 PolarHBondContact O-N 3.3Å; L726-L729 HydrophobicContact CD2-CD1 4.49Å; L726-L729 WeakPolarHBondContact O-CB 3.32Å; L726-L729 PolarHBondContact O-N 2.67Å; L726-L729 VanDerWaalsContact O-N 3.1Å; V727-L729 VanDerWaalsContact C-N 3.34Å; L729-H731 PolarHBondContact O-N 3.01Å; L729-C734 WeakPolarHBondContact O-CB 3.45Å; L729-N739 PolarHBondContact O-ND2 3.38Å |
| 730 | L | 89.4 | Confident | 89 | Confident | 5 Ų | 5 | 53.8 Ų | 53.8 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 19.7 | 175.3 | -61.5 | -176.3 | 0 | 0 | 0 | 112.7 | V727 N728 L743 L746 K768 I769 Y772 | V727-L730 WeakPolarHBondContact O-CB 3.31Å; V727-L730 PolarHBondContact O-N 2.9Å; N728-L730 PolarHBondContact O-N 2.96Å; L730-L743 HydrophobicContact CD1-CD2 4.3Å; L730-L743 HydrophobicContact CD2-CD2 3.81Å; L730-L743 HydrophobicContact CD2-CG 3.8Å; L730-L746 HydrophobicContact CD1-CD1 3.8Å; L730-L746 HydrophobicContact CG-CD1 4.48Å; L730-K768 HydrophobicContact CB-CB 4.22Å; L730-K768 HydrophobicContact CB-CD 3.87Å; L730-K768 HydrophobicContact CD1-CB 4.34Å; L730-I769 HydrophobicContact CD1-CG1 4Å; L730-Y772 HydrophobicContact CB-CE2 3.86Å; L730-Y772 HydrophobicContact CD2-CD2 4.24Å; L730-Y772 HydrophobicContact CD2-CE2 3.92Å; L730-Y772 HydrophobicContact CG-CE2 4.4Å; L730-Y772 PolarHBondContact O-OH 3.46Å |
| 731 | H | 86 | Confident | 89.2 | Confident | 97 Ų | 97 | 51.3 Ų | 51.3 | 45% | 0.449 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -82.9 | 148.2 | 172.5 | -103.6 | -79.9 | 0 | 0 | 0 | 111.2 | N728 L729 E733 C734 K768 | N728-H731 PolarHBondContact O-N 2.7Å; L729-H731 PolarHBondContact O-N 3.01Å; H731-E733 PolarHBondContact O-N 3.04Å; H731-E733 VanDerWaalsContact O-N 3.16Å; H731-C734 WeakPolarHBondContact O-CB 3.34Å; H731-C734 PolarHBondContact O-N 3.39Å; H731-K768 PolarHBondContact CD2-NZ 3.46Å; H731-K768 PolarHBondContact NE2-NZ 3.05Å; H731-K768 VanDerWaalsContact NE2-NZ 3.19Å |
| 732 | L | 78.4 | Confident | 89.6 | Confident | 153 Ų | 153 | 46.8 Ų | 46.8 | 80% | 0.801 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -21.6 | 178.6 | -65.3 | 169.1 | 0 | 0 | 0 | 114.1 | C734 | L732-C734 VanDerWaalsContact C-N 3.27Š|
| 733 | E | 79.4 | Confident | 89.8 | Confident | 187 Ų | 187 | 46.8 Ų | 46.8 | 87% | 0.874 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -14.1 | 177.5 | -63.9 | 174.3 | -179.2 | 0 | 0 | 112.8 | H731 | H731-E733 PolarHBondContact O-N 3.04Å; H731-E733 VanDerWaalsContact O-N 3.16Å |
| 734 | C | 83.9 | Confident | 89.9 | Confident | 21 Ų | 21 | 48.6 Ų | 48.6 | 14% | 0.142 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -84 | 158.7 | 177.8 | -64.2 | 0 | 0 | 0 | 0 | 111.1 | L729 H731 L732 Q738 | L729-C734 WeakPolarHBondContact O-CB 3.45Å; H731-C734 WeakPolarHBondContact O-CB 3.34Å; H731-C734 PolarHBondContact O-N 3.39Å; L732-C734 VanDerWaalsContact C-N 3.27Å; C734-Q738 HydrophobicContact CB-CB 4.34Å |
| 735 | T | 87.4 | Confident | 90.1 | Very high | 77 Ų | 77 | 43 Ų | 43 | 47% | 0.472 | 22% | 0.219 | S | C | . | . | trans | -73.8 | 153.1 | 178.4 | 68.2 | 0 | 0 | 0 | 0 | 111.4 | L737 Q738 N739 | T735-L737 PolarHBondContact O-N 3.14Å; T735-Q738 WeakPolarHBondContact O-CB 3.17Å; T735-Q738 PolarHBondContact O-N 2.88Å; T735-Q738 VanDerWaalsContact OG1-CG 3.3Å; T735-Q738 WeakPolarHBondContact OG1-CG 3.33Å; T735-Q738 PolarHBondContact OG1-N 3.34Å; T735-Q738 PolarHBondContact OG1-OE1 3.42Å; T735-N739 PolarHBondContact O-N 3.19Å | ||
| 736 | L | 86.9 | Confident | 90.2 | Very high | 81 Ų | 81 | 42.9 Ų | 42.9 | 42% | 0.424 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -56.6 | -34.6 | 177.2 | -70.4 | 176 | 0 | 0 | 0 | 112.7 | N739 F740 | L736-N739 PolarHBondContact O-N 2.91Å; L736-F740 WeakPolarHBondContact O-CB 3.44Å; L736-F740 PolarHBondContact O-N 3.49Å |
| 737 | L | 88.8 | Confident | 90.2 | Very high | 98 Ų | 98 | 43.4 Ų | 43.4 | 51% | 0.513 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.8 | -43.1 | 174.9 | -179 | 63.4 | 0 | 0 | 0 | 111.7 | T735 N739 F740 E741 | T735-L737 PolarHBondContact O-N 3.14Å; L737-N739 VanDerWaalsContact C-N 3.33Å; L737-F740 PolarHBondContact O-N 3.36Å; L737-E741 HydrophobicContact CD1-CG 4.41Å; L737-E741 WeakPolarHBondContact O-CG 3.33Å; L737-E741 PolarHBondContact O-N 2.97Å |
| 738 | Q | 91.4 | Very high | 90.3 | Very high | 14 Ų | 14 | 46.3 Ų | 46.3 | 7% | 0.065 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.1 | -39.1 | 176.7 | -71.9 | 166.3 | -16.3 | 0 | 0 | 111.6 | Q699 C734 T735 S742 | Q699-Q738 HydrophobicContact CG-CG 4.16Å; C734-Q738 HydrophobicContact CB-CB 4.34Å; T735-Q738 WeakPolarHBondContact O-CB 3.17Å; T735-Q738 PolarHBondContact O-N 2.88Å; T735-Q738 VanDerWaalsContact OG1-CG 3.3Å; T735-Q738 WeakPolarHBondContact OG1-CG 3.33Å; T735-Q738 PolarHBondContact OG1-N 3.34Å; T735-Q738 PolarHBondContact OG1-OE1 3.42Å; Q738-S742 VanDerWaalsContact O-CB 3.32Å; Q738-S742 WeakPolarHBondContact O-CB 3.1Å; Q738-S742 PolarHBondContact O-N 3.31Å |
| 739 | N | 92.5 | Very high | 90.4 | Very high | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.4 | -47.7 | 175.6 | -54.9 | 157.4 | 0 | 0 | 0 | 110.6 | L729 T735 L736 L737 E741 S742 L743 Y772 | L729-N739 PolarHBondContact O-ND2 3.38Å; T735-N739 PolarHBondContact O-N 3.19Å; L736-N739 PolarHBondContact O-N 2.91Å; L737-N739 VanDerWaalsContact C-N 3.33Å; N739-E741 PolarHBondContact O-N 3.36Å; N739-S742 PolarHBondContact O-N 3.45Å; N739-L743 VanDerWaalsContact O-CG 3.3Å; N739-L743 WeakPolarHBondContact O-CG 3.38Å; N739-L743 PolarHBondContact O-N 2.91Å; N739-Y772 HydrophobicContact CB-CE1 3.83Å; N739-Y772 PolarHBondContact ND2-OH 3.02Å; N739-Y772 VanDerWaalsContact OD1-CE1 3.3Å; N739-Y772 WeakPolarHBondContact OD1-CE1 3.12Å; N739-Y772 PolarHBondContact OD1-OH 3.29Å |
| 740 | F | 93.8 | Very high | 90.5 | Very high | 38 Ų | 38 | 43.1 Ų | 43.1 | 17% | 0.167 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.5 | -49.8 | 177.6 | 175.2 | -105 | 0 | 0 | 0 | 112.4 | L736 L737 S742 L743 M744 L779 V780 A783 | L736-F740 WeakPolarHBondContact O-CB 3.44Å; L736-F740 PolarHBondContact O-N 3.49Å; L737-F740 PolarHBondContact O-N 3.36Å; F740-S742 VanDerWaalsContact C-N 3.31Å; F740-S742 PolarHBondContact O-N 2.9Å; F740-L743 PolarHBondContact O-N 2.92Å; F740-M744 HydrophobicContact CE1-SD 3.65Å; F740-M744 HydrophobicContact CE2-CG 4.28Å; F740-M744 HydrophobicContact CE2-SD 3.89Å; F740-M744 HydrophobicContact CZ-CG 4.21Å; F740-M744 HydrophobicContact CZ-SD 3.29Å; F740-M744 WeakPolarHBondContact CZ-SD 3.49Å; F740-M744 PolarHBondContact O-N 3.28Å; F740-L779 HydrophobicContact CD2-CB 3.97Å; F740-L779 WeakPolarHBondContact CD2-O 3.44Å; F740-L779 HydrophobicContact CE2-CB 3.75Å; F740-L779 WeakPolarHBondContact CE2-O 3.47Å; F740-L779 HydrophobicContact CZ-CB 4.43Å; F740-V780 HydrophobicContact CB-CG2 4.07Å; F740-A783 HydrophobicContact CD2-CB 3.93Å; F740-A783 HydrophobicContact CE2-CB 3.97Å |
| 741 | E | 94.6 | Very high | 90.5 | Very high | 18 Ų | 18 | 44.9 Ų | 44.9 | 8% | 0.084 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.6 | -40.9 | 178.4 | -71.5 | 173.2 | 163.1 | 0 | 0 | 111.4 | Q699 A702 K703 I706 L737 N739 M744 A745 | Q699-E741 WeakPolarHBondContact CG-OE2 3.46Å; Q699-E741 PolarHBondContact NE2-OE2 3.44Å; A702-E741 HydrophobicContact CB-CB 4.11Å; K703-E741 VanDerWaalsContact CE-CD 3.49Å; K703-E741 WeakPolarHBondContact CE-OE1 3.44Å; K703-E741 IonicContact NZ-OE1 3.62Å; I706-E741 HydrophobicContact CD1-CB 4.05Å; I706-E741 HydrophobicContact CD1-CG 4.26Å; I706-E741 WeakPolarHBondContact CD1-O 3.45Å; L737-E741 HydrophobicContact CD1-CG 4.41Å; L737-E741 WeakPolarHBondContact O-CG 3.33Å; L737-E741 PolarHBondContact O-N 2.97Å; N739-E741 PolarHBondContact O-N 3.36Å; E741-M744 PolarHBondContact O-N 3.48Å; E741-A745 WeakPolarHBondContact O-CB 3.16Å; E741-A745 PolarHBondContact O-N 2.95Å |
| 742 | S | 95.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.3 | -44 | 176.4 | -173.4 | 0 | 0 | 0 | 0 | 112.6 | L726 Q738 N739 F740 M744 A745 L746 | L726-S742 VanDerWaalsContact C-OG 3.3Å; L726-S742 PolarHBondContact O-OG 3.17Å; Q738-S742 VanDerWaalsContact O-CB 3.32Å; Q738-S742 WeakPolarHBondContact O-CB 3.1Å; Q738-S742 PolarHBondContact O-N 3.31Å; N739-S742 PolarHBondContact O-N 3.45Å; F740-S742 VanDerWaalsContact C-N 3.31Å; F740-S742 PolarHBondContact O-N 2.9Å; S742-M744 PolarHBondContact O-N 3.4Å; S742-A745 PolarHBondContact O-N 3.5Å; S742-L746 WeakPolarHBondContact O-CB 3.36Å; S742-L746 WeakPolarHBondContact O-CG 3.48Å; S742-L746 PolarHBondContact O-N 3.36Å |
| 743 | L | 95.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.8 | -42.6 | 177.9 | -72.2 | 169.1 | 0 | 0 | 0 | 111.7 | L730 N739 F740 L746 T747 I769 Y772 V780 A783 A784 | L730-L743 HydrophobicContact CD1-CD2 4.3Å; L730-L743 HydrophobicContact CD2-CD2 3.81Å; L730-L743 HydrophobicContact CD2-CG 3.8Å; N739-L743 VanDerWaalsContact O-CG 3.3Å; N739-L743 WeakPolarHBondContact O-CG 3.38Å; N739-L743 PolarHBondContact O-N 2.91Å; F740-L743 PolarHBondContact O-N 2.92Å; L743-L746 PolarHBondContact O-N 3.02Å; L743-T747 WeakPolarHBondContact O-CB 3.49Å; L743-T747 PolarHBondContact O-N 3.07Å; L743-T747 PolarHBondContact O-OG1 3.2Å; L743-I769 HydrophobicContact CD2-CG1 4.07Å; L743-I769 HydrophobicContact CD2-CG2 4.43Å; L743-Y772 HydrophobicContact CD1-CG 4.18Å; L743-V780 HydrophobicContact CD1-CG1 3.9Å; L743-A783 HydrophobicContact CB-CB 3.92Å; L743-A783 HydrophobicContact CD1-CB 4.45Å; L743-A784 HydrophobicContact CD1-CB 3.99Å; L743-A784 HydrophobicContact CD2-CB 4.35Å |
| 744 | M | 94.3 | Very high | 91.7 | Very high | 38 Ų | 38 | 31.1 Ų | 31.1 | 19% | 0.187 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65 | -41.4 | 175.8 | -75.6 | -163.9 | 29.9 | 0 | 0 | 112.5 | I706 F740 E741 S742 T747 N748 A783 | I706-M744 HydrophobicContact CB-CE 4.43Å; I706-M744 HydrophobicContact CD1-CB 3.98Å; I706-M744 HydrophobicContact CD1-CE 4.32Å; I706-M744 HydrophobicContact CG1-CB 3.79Å; I706-M744 HydrophobicContact CG1-CE 4.19Å; I706-M744 HydrophobicContact CG2-CE 3.42Å; I706-M744 VanDerWaalsContact CG2-CE 3.42Å; F740-M744 HydrophobicContact CE1-SD 3.65Å; F740-M744 HydrophobicContact CE2-CG 4.28Å; F740-M744 HydrophobicContact CE2-SD 3.89Å; F740-M744 HydrophobicContact CZ-CG 4.21Å; F740-M744 HydrophobicContact CZ-SD 3.29Å; F740-M744 WeakPolarHBondContact CZ-SD 3.49Å; F740-M744 PolarHBondContact O-N 3.28Å; E741-M744 PolarHBondContact O-N 3.48Å; S742-M744 PolarHBondContact O-N 3.4Å; M744-T747 WeakPolarHBondContact O-CB 3.43Å; M744-T747 PolarHBondContact O-N 3.45Å; M744-N748 PolarHBondContact O-N 3.4Å; M744-N748 VanDerWaalsContact O-N 3.12Å; M744-A783 HydrophobicContact CG-CB 4.1Å |
| 745 | A | 94.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.3 | -44.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | A702 A705 I706 L726 E741 S742 T747 N748 L749 | A702-A745 HydrophobicContact CB-CB 4.1Å; A705-A745 HydrophobicContact CB-CB 3.79Å; I706-A745 HydrophobicContact CG1-CB 4.34Å; L726-A745 HydrophobicContact CD1-CB 3.85Å; L726-A745 HydrophobicContact CD2-CB 4.06Å; E741-A745 WeakPolarHBondContact O-CB 3.16Å; E741-A745 PolarHBondContact O-N 2.95Å; S742-A745 PolarHBondContact O-N 3.5Å; A745-T747 VanDerWaalsContact C-N 3.32Å; A745-T747 PolarHBondContact O-N 3.44Å; A745-N748 PolarHBondContact O-N 3.11Å; A745-L749 WeakPolarHBondContact O-CG 3.4Å; A745-L749 PolarHBondContact O-N 2.99Å |
| 746 | L | 95.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.7 | -35.8 | 176.2 | -73.5 | 171 | 0 | 0 | 0 | 112.1 | L726 V727 L730 S742 L743 L749 A750 I760 | L726-L746 HydrophobicContact CB-CD1 4.41Å; L726-L746 HydrophobicContact CB-CD2 3.91Å; L726-L746 HydrophobicContact CB-CG 4.01Å; L726-L746 HydrophobicContact CD1-CD2 4.07Å; L726-L746 HydrophobicContact CD1-CG 4.28Å; V727-L746 HydrophobicContact CG2-CD1 4.41Å; V727-L746 HydrophobicContact CG2-CD2 4.42Å; L730-L746 HydrophobicContact CD1-CD1 3.8Å; L730-L746 HydrophobicContact CG-CD1 4.48Å; S742-L746 WeakPolarHBondContact O-CB 3.36Å; S742-L746 WeakPolarHBondContact O-CG 3.48Å; S742-L746 PolarHBondContact O-N 3.36Å; L743-L746 PolarHBondContact O-N 3.02Å; L746-L749 PolarHBondContact O-N 3.21Å; L746-A750 VanDerWaalsContact O-CB 3.28Å; L746-A750 WeakPolarHBondContact O-CB 3.46Å; L746-A750 PolarHBondContact O-N 2.79Å; L746-I760 HydrophobicContact CD2-CD1 4.26Å; L746-I760 HydrophobicContact CD2-CG1 4.19Å |
| 747 | T | 94.4 | Very high | 92.4 | Very high | 11 Ų | 11 | 32.6 Ų | 32.6 | 7% | 0.067 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59 | -49.2 | 174.4 | -59 | 0 | 0 | 0 | 0 | 110.8 | L743 M744 A745 L749 A750 G751 E786 C787 N790 | L743-T747 WeakPolarHBondContact O-CB 3.49Å; L743-T747 PolarHBondContact O-N 3.07Å; L743-T747 PolarHBondContact O-OG1 3.2Å; M744-T747 WeakPolarHBondContact O-CB 3.43Å; M744-T747 PolarHBondContact O-N 3.45Å; A745-T747 VanDerWaalsContact C-N 3.32Å; A745-T747 PolarHBondContact O-N 3.44Å; T747-L749 PolarHBondContact O-N 3.44Å; T747-A750 PolarHBondContact O-N 2.97Å; T747-G751 PolarHBondContact O-N 3.29Å; T747-E786 HydrophobicContact CG2-CB 3.95Å; T747-C787 VanDerWaalsContact OG1-CA 3.23Å; T747-C787 WeakPolarHBondContact OG1-CA 3.44Å; T747-C787 VanDerWaalsContact OG1-CB 3.23Å; T747-C787 WeakPolarHBondContact OG1-CB 3.18Å; T747-C787 PolarHBondContact OG1-N 3.48Å; T747-N790 PolarHBondContact O-ND2 3.36Å |
| 748 | N | 93.8 | Very high | 92.4 | Very high | 64 Ų | 64 | 31.1 Ų | 31.1 | 34% | 0.342 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -61.3 | -43.8 | 176.6 | -73.7 | -5.5 | 0 | 0 | 0 | 111.8 | A705 I706 P710 M744 A745 G751 I752 | A705-N748 PolarHBondContact O-ND2 3.43Å; I706-N748 PolarHBondContact O-ND2 3.13Å; P710-N748 HydrophobicContact CG-CB 4.44Å; M744-N748 PolarHBondContact O-N 3.4Å; M744-N748 VanDerWaalsContact O-N 3.12Å; A745-N748 PolarHBondContact O-N 3.11Å; N748-G751 PolarHBondContact O-N 3.11Å; N748-I752 WeakPolarHBondContact O-CG1 3.48Å |
| 749 | L | 92.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.7 | -40.2 | 179 | -71.6 | 172.6 | 0 | 0 | 0 | 113.1 | P710 I719 V722 L726 A745 L746 T747 G751 I752 L756 | P710-L749 HydrophobicContact CB-CD2 3.6Å; P710-L749 HydrophobicContact CG-CD2 4.08Å; I719-L749 HydrophobicContact CD1-CD2 4.01Å; I719-L749 HydrophobicContact CG1-CD2 3.79Å; V722-L749 HydrophobicContact CG1-CD1 4.47Å; L726-L749 HydrophobicContact CD1-CD1 3.57Å; A745-L749 WeakPolarHBondContact O-CG 3.4Å; A745-L749 PolarHBondContact O-N 2.99Å; L746-L749 PolarHBondContact O-N 3.21Å; T747-L749 PolarHBondContact O-N 3.44Å; L749-G751 PolarHBondContact O-N 2.82Å; L749-I752 HydrophobicContact CD2-CD1 4.43Å; L749-I752 PolarHBondContact O-N 2.87Å; L749-L756 HydrophobicContact CD2-CD1 4.41Å |
| 750 | A | 92.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.9 | -27.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L746 T747 I752 R757 I760 N790 L791 | L746-A750 VanDerWaalsContact O-CB 3.28Å; L746-A750 WeakPolarHBondContact O-CB 3.46Å; L746-A750 PolarHBondContact O-N 2.79Å; T747-A750 PolarHBondContact O-N 2.97Å; A750-I752 VanDerWaalsContact C-N 3.33Å; A750-I752 PolarHBondContact O-N 3.22Å; A750-R757 HydrophobicContact CB-CG 4.2Å; A750-R757 WeakPolarHBondContact O-CD 3.34Å; A750-R757 VanDerWaalsContact O-CG 3.28Å; A750-R757 WeakPolarHBondContact O-CG 3.39Å; A750-R757 PolarHBondContact O-NH1 3.46Å; A750-I760 HydrophobicContact CB-CD1 4.01Å; A750-N790 HydrophobicContact CB-CB 3.73Å; A750-L791 HydrophobicContact CB-CD2 3.99Å; A750-L791 HydrophobicContact CB-CG 4.2Å |
| 751 | G | 90.4 | Very high | 92.2 | Very high | 42 Ų | 42 | 32.8 Ų | 32.8 | 43% | 0.433 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -72 | -19.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | T747 N748 L749 | T747-G751 PolarHBondContact O-N 3.29Å; N748-G751 PolarHBondContact O-N 3.11Å; L749-G751 PolarHBondContact O-N 2.82Å |
| 752 | I | 89.9 | Confident | 92 | Very high | 55 Ų | 55 | 39.1 Ų | 39.1 | 28% | 0.282 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -83.3 | -54.7 | -170 | -62.6 | 166.4 | 0 | 0 | 0 | 112.6 | P710 E711 I719 N748 L749 A750 L756 | P710-I752 HydrophobicContact CB-CD1 3.71Å; P710-I752 HydrophobicContact CG-CD1 3.79Å; E711-I752 HydrophobicContact CG-CD1 4.42Å; E711-I752 HydrophobicContact CG-CG2 4.11Å; E711-I752 WeakPolarHBondContact OE1-CG2 3.25Å; I719-I752 HydrophobicContact CD1-CD1 4.33Å; N748-I752 WeakPolarHBondContact O-CG1 3.48Å; L749-I752 HydrophobicContact CD2-CD1 4.43Å; L749-I752 PolarHBondContact O-N 2.87Å; A750-I752 VanDerWaalsContact C-N 3.33Å; A750-I752 PolarHBondContact O-N 3.22Å; I752-L756 HydrophobicContact CB-CD1 4.1Å; I752-L756 HydrophobicContact CG2-CD1 4.33Å |
| 753 | S | 88.8 | Confident | 91.6 | Very high | 33 Ų | 33 | 40.6 Ų | 40.6 | 23% | 0.231 | 20% | 0.197 | C | C | . | . | trans | -147.6 | 151.4 | -172.1 | 74.1 | 0 | 0 | 0 | 0 | 114.3 | R755 L756 R757 | S753-R755 VanDerWaalsContact C-N 3.27Å; S753-R755 PolarHBondContact O-N 3.45Å; S753-L756 PolarHBondContact O-N 3.21Å; S753-L756 WeakPolarHBondContact OG-CG 3.37Å; S753-L756 PolarHBondContact OG-N 3.13Å; S753-R757 PolarHBondContact O-N 3.11Å | ||
| 754 | E | 89 | Confident | 91.2 | Very high | 59 Ų | 59 | 48.5 Ų | 48.5 | 28% | 0.276 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62 | -35.3 | 175.8 | -176.9 | 59.3 | -157.9 | 0 | 0 | 112.3 | L756 R757 Q758 S794 | E754-L756 VanDerWaalsContact C-N 3.32Å; E754-L756 PolarHBondContact O-N 2.93Å; E754-R757 PolarHBondContact O-N 3.35Å; E754-R757 IonicContact OE2-CZ 3.76Å; E754-R757 VanDerWaalsContact OE2-CZ 3.24Å; E754-R757 IonicContact OE2-NE 2.61Å; E754-R757 PolarHBondContact OE2-NE 3.16Å; E754-R757 IonicContact OE2-NH2 3.83Å; E754-R757 PolarHBondContact OE2-NH2 3.32Å; E754-Q758 WeakPolarHBondContact O-CG 3.05Å; E754-Q758 PolarHBondContact O-N 3.06Å; E754-S794 WeakPolarHBondContact OE1-CB 3.25Å; E754-S794 PolarHBondContact OE1-OG 2.95Å |
| 755 | R | 89.3 | Confident | 91 | Very high | 182 Ų | 182 | 46.7 Ų | 46.7 | 69% | 0.687 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -63.8 | -37.7 | 177.3 | -67 | -175.7 | -179.2 | 179.5 | 0.9 | 112 | Y720 S753 K759 | Y720-R755 HydrophobicContact CE1-CB 3.9Å; S753-R755 VanDerWaalsContact C-N 3.27Å; S753-R755 PolarHBondContact O-N 3.45Å; R755-K759 PolarHBondContact O-N 3.4Å |
| 756 | L | 90.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.8 | -43.3 | 175.3 | -80 | 168.1 | 0 | 0 | 0 | 111.5 | I719 Y720 V723 L749 I752 S753 E754 Q758 K759 I760 | I719-L756 HydrophobicContact CD1-CD1 3.85Å; I719-L756 HydrophobicContact CG1-CD1 4.14Å; I719-L756 HydrophobicContact CG1-CD2 4.17Å; I719-L756 HydrophobicContact CG2-CD2 4.28Å; Y720-L756 HydrophobicContact CD1-CD2 3.58Å; Y720-L756 HydrophobicContact CD1-CG 4.13Å; Y720-L756 HydrophobicContact CE1-CD2 3.88Å; Y720-L756 HydrophobicContact CE1-CG 3.9Å; Y720-L756 HydrophobicContact CG-CD2 4.45Å; V723-L756 HydrophobicContact CG2-CD2 4.13Å; L749-L756 HydrophobicContact CD2-CD1 4.41Å; I752-L756 HydrophobicContact CB-CD1 4.1Å; I752-L756 HydrophobicContact CG2-CD1 4.33Å; S753-L756 PolarHBondContact O-N 3.21Å; S753-L756 WeakPolarHBondContact OG-CG 3.37Å; S753-L756 PolarHBondContact OG-N 3.13Å; E754-L756 VanDerWaalsContact C-N 3.32Å; E754-L756 PolarHBondContact O-N 2.93Å; L756-Q758 PolarHBondContact O-N 3.31Å; L756-K759 WeakPolarHBondContact O-CB 3.48Å; L756-K759 PolarHBondContact O-N 2.94Å; L756-K759 VanDerWaalsContact O-N 3.1Å; L756-I760 WeakPolarHBondContact O-CG1 3.36Å; L756-I760 PolarHBondContact O-N 3.16Å |
| 757 | R | 93.1 | Very high | 90.5 | Very high | 27 Ų | 27 | 51.5 Ų | 51.5 | 10% | 0.102 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.2 | -48.5 | 173.9 | -68.6 | -173.9 | -71.5 | -95.8 | 9.2 | 111.5 | A750 S753 E754 K759 I760 I761 N790 L791 | A750-R757 HydrophobicContact CB-CG 4.2Å; A750-R757 WeakPolarHBondContact O-CD 3.34Å; A750-R757 VanDerWaalsContact O-CG 3.28Å; A750-R757 WeakPolarHBondContact O-CG 3.39Å; A750-R757 PolarHBondContact O-NH1 3.46Å; S753-R757 PolarHBondContact O-N 3.11Å; E754-R757 PolarHBondContact O-N 3.35Å; E754-R757 IonicContact OE2-CZ 3.76Å; E754-R757 VanDerWaalsContact OE2-CZ 3.24Å; E754-R757 IonicContact OE2-NE 2.61Å; E754-R757 PolarHBondContact OE2-NE 3.16Å; E754-R757 IonicContact OE2-NH2 3.83Å; E754-R757 PolarHBondContact OE2-NH2 3.32Å; R757-K759 VanDerWaalsContact C-N 3.27Å; R757-K759 PolarHBondContact O-N 3.44Å; R757-I760 PolarHBondContact O-N 2.85Å; R757-I760 VanDerWaalsContact O-N 3.15Å; R757-I761 VanDerWaalsContact O-CG1 3.24Å; R757-I761 WeakPolarHBondContact O-CG1 3.12Å; R757-I761 PolarHBondContact O-N 2.71Å; R757-N790 WeakPolarHBondContact CD-O 3.19Å; R757-L791 HydrophobicContact CB-CD2 4.38Å; R757-L791 HydrophobicContact CG-CD2 4.26Å |
| 758 | Q | 90.1 | Very high | 90.2 | Very high | 68 Ų | 68 | 53.5 Ų | 53.5 | 32% | 0.318 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.9 | -37.2 | 175.4 | -71.7 | 176.8 | 2.9 | 0 | 0 | 112.6 | E754 L756 I761 K762 | E754-Q758 WeakPolarHBondContact O-CG 3.05Å; E754-Q758 PolarHBondContact O-N 3.06Å; L756-Q758 PolarHBondContact O-N 3.31Å; Q758-I761 PolarHBondContact O-N 3.04Å; Q758-K762 WeakPolarHBondContact O-CB 3.23Å; Q758-K762 VanDerWaalsContact O-CG 3.25Å; Q758-K762 WeakPolarHBondContact O-CG 3.47Å; Q758-K762 PolarHBondContact O-N 3.27Å |
| 759 | K | 91 | Very high | 90.1 | Very high | 66 Ų | 66 | 50.5 Ų | 50.5 | 29% | 0.287 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.9 | -45.4 | 175.2 | -177.1 | 57.9 | 168.4 | 168.9 | 0 | 111.6 | V723 R755 L756 R757 I761 K762 E763 | V723-K759 HydrophobicContact CB-CG 4.12Å; V723-K759 HydrophobicContact CG1-CG 4.21Å; V723-K759 HydrophobicContact CG2-CG 4.09Å; R755-K759 PolarHBondContact O-N 3.4Å; L756-K759 WeakPolarHBondContact O-CB 3.48Å; L756-K759 PolarHBondContact O-N 2.94Å; L756-K759 VanDerWaalsContact O-N 3.1Å; R757-K759 VanDerWaalsContact C-N 3.27Å; R757-K759 PolarHBondContact O-N 3.44Å; K759-I761 VanDerWaalsContact C-N 3.28Å; K759-I761 PolarHBondContact O-N 3.31Å; K759-K762 PolarHBondContact O-N 3.29Å; K759-E763 HydrophobicContact CD-CG 4.33Å; K759-E763 WeakPolarHBondContact CE-OE1 3.46Å; K759-E763 IonicContact NZ-OE1 3.83Å; K759-E763 PolarHBondContact NZ-OE1 3.39Å; K759-E763 WeakPolarHBondContact O-CG 3.4Å; K759-E763 PolarHBondContact O-N 3.49Å |
| 760 | I | 92.6 | Very high | 90 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.6 | -42.7 | 175.9 | -65.6 | 165.5 | 0 | 0 | 0 | 110.7 | V723 L746 A750 L756 R757 E763 A765 L791 | V723-I760 HydrophobicContact CG1-CB 4.3Å; V723-I760 HydrophobicContact CG1-CG1 3.65Å; V723-I760 HydrophobicContact CG2-CG1 4.27Å; L746-I760 HydrophobicContact CD2-CD1 4.26Å; L746-I760 HydrophobicContact CD2-CG1 4.19Å; A750-I760 HydrophobicContact CB-CD1 4.01Å; L756-I760 WeakPolarHBondContact O-CG1 3.36Å; L756-I760 PolarHBondContact O-N 3.16Å; R757-I760 PolarHBondContact O-N 2.85Å; R757-I760 VanDerWaalsContact O-N 3.15Å; I760-E763 PolarHBondContact O-N 3.01Å; I760-A765 HydrophobicContact CG2-CB 3.62Å; I760-A765 WeakPolarHBondContact O-CB 2.92Å; I760-A765 PolarHBondContact O-N 3.37Å; I760-L791 HydrophobicContact CB-CD2 4.26Å; I760-L791 HydrophobicContact CD1-CD2 4.26Å; I760-L791 HydrophobicContact CG2-CD1 4.43Å; I760-L791 HydrophobicContact CG2-CD2 3.98Å |
| 761 | I | 90.1 | Very high | 89.9 | Confident | 25 Ų | 25 | 54.1 Ų | 54.1 | 13% | 0.128 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.8 | -47.9 | 178.3 | -62.6 | 164.3 | 0 | 0 | 0 | 110.9 | R757 Q758 K759 E763 K764 L766 E796 V797 | R757-I761 VanDerWaalsContact O-CG1 3.24Å; R757-I761 WeakPolarHBondContact O-CG1 3.12Å; R757-I761 PolarHBondContact O-N 2.71Å; Q758-I761 PolarHBondContact O-N 3.04Å; K759-I761 VanDerWaalsContact C-N 3.28Å; K759-I761 PolarHBondContact O-N 3.31Å; I761-E763 PolarHBondContact O-N 3.01Å; I761-K764 PolarHBondContact O-N 3.39Å; I761-L766 HydrophobicContact CB-CD1 4.49Å; I761-L766 HydrophobicContact CG1-CD1 4.04Å; I761-L766 HydrophobicContact CG1-CG 4.34Å; I761-L766 HydrophobicContact CG2-CD1 4Å; I761-E796 HydrophobicContact CD1-CB 4.37Å; I761-E796 WeakPolarHBondContact CG2-OE2 3.17Å; I761-V797 HydrophobicContact CD1-CG2 3.69Å; I761-V797 HydrophobicContact CG1-CG2 4.23Å |
| 762 | K | 88.7 | Confident | 90 | Very high | 151 Ų | 151 | 52.6 Ų | 52.6 | 66% | 0.657 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -59.1 | -30.9 | 177.7 | -77.1 | 175 | -178.6 | 179.2 | 0 | 113.3 | Q758 K759 K764 | Q758-K762 WeakPolarHBondContact O-CB 3.23Å; Q758-K762 VanDerWaalsContact O-CG 3.25Å; Q758-K762 WeakPolarHBondContact O-CG 3.47Å; Q758-K762 PolarHBondContact O-N 3.27Å; K759-K762 PolarHBondContact O-N 3.29Å; K762-K764 PolarHBondContact O-N 3.39Å |
| 763 | E | 87.8 | Confident | 90 | Very high | 31 Ų | 31 | 50.3 Ų | 50.3 | 15% | 0.145 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | 6.6 | 176.3 | -65.1 | -58.9 | 164 | 0 | 0 | 114.1 | V723 R724 V727 K759 I760 I761 A765 | V723-E763 HydrophobicContact CG1-CG 4.2Å; R724-E763 WeakPolarHBondContact CD-OE2 3.35Å; R724-E763 IonicContact CZ-OE2 3.77Å; R724-E763 IonicContact NE-OE2 3.06Å; R724-E763 IonicContact NH1-OE2 2.85Å; R724-E763 PolarHBondContact NH1-OE2 2.76Å; V727-E763 HydrophobicContact CG2-CB 4.39Å; K759-E763 HydrophobicContact CD-CG 4.33Å; K759-E763 WeakPolarHBondContact CE-OE1 3.46Å; K759-E763 IonicContact NZ-OE1 3.83Å; K759-E763 PolarHBondContact NZ-OE1 3.39Å; K759-E763 WeakPolarHBondContact O-CG 3.4Å; K759-E763 PolarHBondContact O-N 3.49Å; I760-E763 PolarHBondContact O-N 3.01Å; I761-E763 PolarHBondContact O-N 3.01Å; E763-A765 VanDerWaalsContact C-N 3.31Å; E763-A765 PolarHBondContact O-N 2.87Å |
| 764 | K | 87.5 | Confident | 90 | Very high | 166 Ų | 166 | 55.6 Ų | 55.6 | 72% | 0.722 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | 36.3 | -179.8 | -55.3 | -176.6 | 178 | -176.4 | 0 | 113.5 | I761 K762 | I761-K764 PolarHBondContact O-N 3.39Å; K762-K764 PolarHBondContact O-N 3.39Å |
| 765 | A | 89.4 | Confident | 90 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | trans | -73.2 | -31.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V727 I760 E763 K768 I769 | V727-A765 HydrophobicContact CG1-CB 4.06Å; V727-A765 HydrophobicContact CG2-CB 3.64Å; I760-A765 HydrophobicContact CG2-CB 3.62Å; I760-A765 WeakPolarHBondContact O-CB 2.92Å; I760-A765 PolarHBondContact O-N 3.37Å; E763-A765 VanDerWaalsContact C-N 3.31Å; E763-A765 PolarHBondContact O-N 2.87Å; A765-K768 WeakPolarHBondContact O-CB 3.28Å; A765-K768 PolarHBondContact O-N 2.9Å; A765-I769 HydrophobicContact CB-CD1 4.02Å; A765-I769 WeakPolarHBondContact O-CG1 3.32Å; A765-I769 PolarHBondContact O-N 3.12Å | ||
| 766 | L | 89.4 | Confident | 89.8 | Confident | 14 Ų | 14 | 55.9 Ų | 55.9 | 7% | 0.073 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -53 | -51 | -172 | -74.2 | 172.3 | 0 | 0 | 0 | 114.2 | I761 K768 I769 E770 M788 L791 V797 L800 | I761-L766 HydrophobicContact CB-CD1 4.49Å; I761-L766 HydrophobicContact CG1-CD1 4.04Å; I761-L766 HydrophobicContact CG1-CG 4.34Å; I761-L766 HydrophobicContact CG2-CD1 4Å; L766-K768 PolarHBondContact O-N 3.3Å; L766-I769 PolarHBondContact O-N 2.85Å; L766-E770 WeakPolarHBondContact O-CG 3.48Å; L766-E770 PolarHBondContact O-N 3.4Å; L766-M788 HydrophobicContact CD2-CE 4.3Å; L766-M788 HydrophobicContact CD2-SD 4.5Å; L766-L791 HydrophobicContact CD2-CD1 3.93Å; L766-V797 HydrophobicContact CD1-CG2 4.1Å; L766-V797 HydrophobicContact CD2-CG2 4.11Å; L766-L800 HydrophobicContact CD1-CD1 3.74Å |
| 767 | P | 89.6 | Confident | 89.7 | Confident | 87 Ų | 87 | 58.9 Ų | 58.9 | 57% | 0.565 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -63.6 | -29.5 | -179.3 | -21.5 | 34.4 | 0 | 0 | 0 | 113.1 | G771 | P767-G771 PolarHBondContact O-N 3.37Å |
| 768 | K | 89.6 | Confident | 89.5 | Confident | 53 Ų | 53 | 63.4 Ų | 63.4 | 23% | 0.23 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -71.6 | -47.5 | 176.5 | -61.2 | -173.9 | 173.6 | -165.1 | 0 | 110.6 | V727 L730 H731 A765 L766 E770 G771 Y772 | V727-K768 HydrophobicContact CG1-CD 4.5Å; V727-K768 PolarHBondContact O-NZ 2.82Å; L730-K768 HydrophobicContact CB-CB 4.22Å; L730-K768 HydrophobicContact CB-CD 3.87Å; L730-K768 HydrophobicContact CD1-CB 4.34Å; H731-K768 PolarHBondContact CD2-NZ 3.46Å; H731-K768 PolarHBondContact NE2-NZ 3.05Å; H731-K768 VanDerWaalsContact NE2-NZ 3.19Å; A765-K768 WeakPolarHBondContact O-CB 3.28Å; A765-K768 PolarHBondContact O-N 2.9Å; L766-K768 PolarHBondContact O-N 3.3Å; K768-E770 VanDerWaalsContact C-N 3.29Å; K768-E770 PolarHBondContact O-N 2.96Å; K768-G771 PolarHBondContact O-N 3.43Å; K768-G771 VanDerWaalsContact O-N 3.1Å; K768-Y772 WeakPolarHBondContact O-CD2 3.44Å; K768-Y772 PolarHBondContact O-N 2.93Å; K768-Y772 VanDerWaalsContact O-N 3.08Å |
| 769 | I | 92 | Very high | 89.5 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 177.2 | -62.8 | 166.9 | 0 | 0 | 0 | 110 | L730 L743 A765 L766 G771 Y772 M773 A784 C787 M788 L791 | L730-I769 HydrophobicContact CD1-CG1 4Å; L743-I769 HydrophobicContact CD2-CG1 4.07Å; L743-I769 HydrophobicContact CD2-CG2 4.43Å; A765-I769 HydrophobicContact CB-CD1 4.02Å; A765-I769 WeakPolarHBondContact O-CG1 3.32Å; A765-I769 PolarHBondContact O-N 3.12Å; L766-I769 PolarHBondContact O-N 2.85Å; I769-G771 VanDerWaalsContact C-N 3.33Å; I769-G771 PolarHBondContact O-N 3.28Å; I769-Y772 PolarHBondContact O-N 3.35Å; I769-M773 PolarHBondContact O-N 2.78Å; I769-M773 VanDerWaalsContact O-N 3.13Å; I769-A784 HydrophobicContact CG2-CB 4.38Å; I769-C787 HydrophobicContact CG2-CB 4.27Å; I769-M788 HydrophobicContact CG2-CE 4.39Å; I769-L791 HydrophobicContact CD1-CD1 3.69Å |
| 770 | E | 90 | Very high | 89.5 | Confident | 36 Ų | 36 | 61.9 Ų | 61.9 | 17% | 0.168 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.7 | -43 | 173.4 | -73.6 | -179.5 | 173.8 | 0 | 0 | 111.8 | L766 K768 Y772 M773 F774 M788 R808 | L766-E770 WeakPolarHBondContact O-CG 3.48Å; L766-E770 PolarHBondContact O-N 3.4Å; K768-E770 VanDerWaalsContact C-N 3.29Å; K768-E770 PolarHBondContact O-N 2.96Å; E770-Y772 VanDerWaalsContact C-N 3.34Å; E770-Y772 PolarHBondContact O-N 3.13Å; E770-M773 WeakPolarHBondContact O-CB 3.31Å; E770-M773 PolarHBondContact O-N 3Å; E770-M773 VanDerWaalsContact O-N 3.1Å; E770-F774 WeakPolarHBondContact O-CD2 3.26Å; E770-F774 WeakPolarHBondContact O-CE2 3.37Å; E770-M788 HydrophobicContact CG-CE 3.72Å; E770-R808 IonicContact OE1-CZ 2.85Å; E770-R808 IonicContact OE1-NE 3.66Å; E770-R808 PolarHBondContact OE1-NE 2.86Å; E770-R808 IonicContact OE1-NH2 2.72Å; E770-R808 PolarHBondContact OE1-NH2 3.31Å; E770-R808 IonicContact OE2-CZ 3.91Å; E770-R808 IonicContact OE2-NE 3.26Å; E770-R808 IonicContact OE2-NH2 3.39Å; E770-R808 PolarHBondContact OE2-NH2 3.38Å |
| 771 | G | 89.8 | Confident | 89.5 | Confident | 40 Ų | 40 | 63.7 Ų | 63.7 | 41% | 0.412 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -56.9 | -44.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | P767 K768 I769 M773 F774 | P767-G771 PolarHBondContact O-N 3.37Å; K768-G771 PolarHBondContact O-N 3.43Å; K768-G771 VanDerWaalsContact O-N 3.1Å; I769-G771 VanDerWaalsContact C-N 3.33Å; I769-G771 PolarHBondContact O-N 3.28Å; G771-M773 PolarHBondContact O-N 3.01Å; G771-F774 PolarHBondContact O-N 3.37Å |
| 772 | Y | 91.4 | Very high | 89.6 | Confident | 10 Ų | 10 | 62.6 Ų | 62.6 | 4% | 0.039 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.9 | -17.3 | 177.4 | -72.9 | -68.2 | 0 | 0 | 0 | 114.1 | L730 N739 L743 K768 I769 E770 F774 E775 V780 | L730-Y772 HydrophobicContact CB-CE2 3.86Å; L730-Y772 HydrophobicContact CD2-CD2 4.24Å; L730-Y772 HydrophobicContact CD2-CE2 3.92Å; L730-Y772 HydrophobicContact CG-CE2 4.4Å; L730-Y772 PolarHBondContact O-OH 3.46Å; N739-Y772 HydrophobicContact CB-CE1 3.83Å; N739-Y772 PolarHBondContact ND2-OH 3.02Å; N739-Y772 VanDerWaalsContact OD1-CE1 3.3Å; N739-Y772 WeakPolarHBondContact OD1-CE1 3.12Å; N739-Y772 PolarHBondContact OD1-OH 3.29Å; L743-Y772 HydrophobicContact CD1-CG 4.18Å; K768-Y772 WeakPolarHBondContact O-CD2 3.44Å; K768-Y772 PolarHBondContact O-N 2.93Å; K768-Y772 VanDerWaalsContact O-N 3.08Å; I769-Y772 PolarHBondContact O-N 3.35Å; E770-Y772 VanDerWaalsContact C-N 3.34Å; E770-Y772 PolarHBondContact O-N 3.13Å; Y772-F774 PolarHBondContact O-N 3.16Å; Y772-E775 HydrophobicContact CD1-CG 3.9Å; Y772-E775 PolarHBondContact O-N 3.44Å; Y772-V780 HydrophobicContact CD1-CG1 3.57Å; Y772-V780 HydrophobicContact CE1-CG1 4.39Å; Y772-V780 HydrophobicContact CG-CG1 4.17Å |
| 773 | M | 90.4 | Very high | 89.8 | Confident | 7 Ų | 7 | 55.4 Ų | 55.4 | 3% | 0.034 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.4 | -23.6 | 169.6 | -65.2 | 176.7 | 67.9 | 0 | 0 | 111.5 | I769 E770 G771 R781 A784 T785 M788 L811 L812 Y815 | I769-M773 PolarHBondContact O-N 2.78Å; I769-M773 VanDerWaalsContact O-N 3.13Å; E770-M773 WeakPolarHBondContact O-CB 3.31Å; E770-M773 PolarHBondContact O-N 3Å; E770-M773 VanDerWaalsContact O-N 3.1Å; G771-M773 PolarHBondContact O-N 3.01Å; M773-R781 WeakPolarHBondContact O-CG 3.37Å; M773-A784 HydrophobicContact CG-CB 3.9Å; M773-T785 HydrophobicContact CE-CG2 4.24Å; M773-M788 HydrophobicContact SD-CB 4.18Å; M773-M788 HydrophobicContact SD-CE 4.14Å; M773-M788 HydrophobicContact SD-CG 4.27Å; M773-L811 HydrophobicContact CB-CD2 4.08Å; M773-L811 HydrophobicContact CE-CD2 3.84Å; M773-L812 HydrophobicContact CE-CD2 4.11Å; M773-Y815 HydrophobicContact CB-CE2 4.47Å; M773-Y815 HydrophobicContact CE-CE2 4.28Å; M773-Y815 PolarHBondContact O-OH 2.93Å |
| 774 | F | 89.6 | Confident | 90.2 | Very high | 144 Ų | 144 | 53.9 Ų | 53.9 | 63% | 0.632 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 3.2 | 179.6 | -61.4 | -82.6 | 0 | 0 | 0 | 114.2 | E770 G771 Y772 L811 | E770-F774 WeakPolarHBondContact O-CD2 3.26Å; E770-F774 WeakPolarHBondContact O-CE2 3.37Å; G771-F774 PolarHBondContact O-N 3.37Å; Y772-F774 PolarHBondContact O-N 3.16Å; F774-L811 HydrophobicContact CD1-CD1 4.24Å; F774-L811 HydrophobicContact CD1-CD2 4.39Å; F774-L811 HydrophobicContact CE1-CD1 3.82Å; F774-L811 HydrophobicContact CE1-CD2 3.78Å; F774-L811 HydrophobicContact CE1-CG 4.38Å; F774-L811 HydrophobicContact CE2-CD2 4.22Å; F774-L811 HydrophobicContact CZ-CD2 3.69Å |
| 775 | E | 88.3 | Confident | 90.5 | Very high | 66 Ų | 66 | 46 Ų | 46 | 31% | 0.308 | 23% | 0.234 | S | C | . | . | trans | -68.3 | 149.9 | 179.5 | -83.3 | -67.2 | 168.6 | 0 | 0 | 112.8 | Y772 N777 V780 | Y772-E775 HydrophobicContact CD1-CG 3.9Å; Y772-E775 PolarHBondContact O-N 3.44Å; E775-N777 VanDerWaalsContact C-N 3.31Å; E775-V780 HydrophobicContact CB-CG1 4.48Å | ||
| 776 | E | 84.8 | Confident | 90.7 | Very high | 182 Ų | 182 | 48.1 Ų | 48.1 | 85% | 0.85 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -73.4 | -25.6 | 178.1 | -65.4 | -176.2 | 175.1 | 0 | 0 | 112.1 | E778 | E776-E778 PolarHBondContact O-N 3.47Š|
| 777 | N | 88.5 | Confident | 90.9 | Very high | 64 Ų | 64 | 47.5 Ų | 47.5 | 34% | 0.342 | 24% | 0.24 | S | C | . | . | trans | -72 | 114 | -179.8 | -171.7 | -69.2 | 0 | 0 | 0 | 111.3 | E775 L779 V780 R781 | E775-N777 VanDerWaalsContact C-N 3.31Å; N777-L779 VanDerWaalsContact C-N 3.34Å; N777-L779 PolarHBondContact O-N 2.78Å; N777-L779 PolarHBondContact OD1-N 3.39Å; N777-L779 VanDerWaalsContact OD1-N 3.15Å; N777-V780 HydrophobicContact CB-CB 4.2Å; N777-V780 HydrophobicContact CB-CG2 4.14Å; N777-V780 PolarHBondContact O-N 3.48Å; N777-V780 PolarHBondContact OD1-N 3.34Å; N777-R781 WeakPolarHBondContact O-CB 3.06Å; N777-R781 PolarHBondContact O-N 3.46Å | ||
| 778 | E | 89.2 | Confident | 91.2 | Very high | 121 Ų | 121 | 43.4 Ų | 43.4 | 57% | 0.565 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -54.3 | -44.8 | -176.6 | -63.3 | 179.2 | 169.9 | 0 | 0 | 113.3 | E776 R781 A782 | E776-E778 PolarHBondContact O-N 3.47Å; E778-R781 PolarHBondContact O-N 3.47Å; E778-A782 VanDerWaalsContact O-CB 3.31Å; E778-A782 WeakPolarHBondContact O-CB 3.21Å; E778-A782 PolarHBondContact O-N 2.73Å |
| 779 | L | 89.4 | Confident | 91.3 | Very high | 100 Ų | 100 | 41.5 Ų | 41.5 | 52% | 0.524 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65.8 | -42.9 | -177.5 | -65.8 | 175.4 | 0 | 0 | 0 | 112.1 | F740 N777 A783 | F740-L779 HydrophobicContact CD2-CB 3.97Å; F740-L779 WeakPolarHBondContact CD2-O 3.44Å; F740-L779 HydrophobicContact CE2-CB 3.75Å; F740-L779 WeakPolarHBondContact CE2-O 3.47Å; F740-L779 HydrophobicContact CZ-CB 4.43Å; N777-L779 VanDerWaalsContact C-N 3.34Å; N777-L779 PolarHBondContact O-N 2.78Å; N777-L779 PolarHBondContact OD1-N 3.39Å; N777-L779 VanDerWaalsContact OD1-N 3.15Å; L779-A783 WeakPolarHBondContact O-CB 3.36Å; L779-A783 PolarHBondContact O-N 2.96Å |
| 780 | V | 90.6 | Very high | 91.4 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.012 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67 | -45.2 | 178.5 | 175.8 | 0 | 0 | 0 | 0 | 110.3 | F740 L743 Y772 E775 N777 A782 A783 A784 | F740-V780 HydrophobicContact CB-CG2 4.07Å; L743-V780 HydrophobicContact CD1-CG1 3.9Å; Y772-V780 HydrophobicContact CD1-CG1 3.57Å; Y772-V780 HydrophobicContact CE1-CG1 4.39Å; Y772-V780 HydrophobicContact CG-CG1 4.17Å; E775-V780 HydrophobicContact CB-CG1 4.48Å; N777-V780 HydrophobicContact CB-CB 4.2Å; N777-V780 HydrophobicContact CB-CG2 4.14Å; N777-V780 PolarHBondContact O-N 3.48Å; N777-V780 PolarHBondContact OD1-N 3.34Å; V780-A782 PolarHBondContact O-N 3.18Å; V780-A783 PolarHBondContact O-N 3.26Å; V780-A784 WeakPolarHBondContact O-CB 3.28Å; V780-A784 PolarHBondContact O-N 2.8Å |
| 781 | R | 93.3 | Very high | 91.5 | Very high | 39 Ų | 39 | 41.8 Ų | 41.8 | 15% | 0.147 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.6 | -44.5 | 178.1 | 179.4 | 172.5 | 63.2 | 177.2 | 5.1 | 112.2 | M773 N777 E778 T785 Y815 L823 | M773-R781 WeakPolarHBondContact O-CG 3.37Å; N777-R781 WeakPolarHBondContact O-CB 3.06Å; N777-R781 PolarHBondContact O-N 3.46Å; E778-R781 PolarHBondContact O-N 3.47Å; R781-T785 WeakPolarHBondContact O-CB 3.49Å; R781-T785 PolarHBondContact O-N 3.33Å; R781-T785 VanDerWaalsContact O-N 3.08Å; R781-T785 PolarHBondContact O-OG1 3.46Å; R781-Y815 HydrophobicContact CG-CE2 4.27Å; R781-L823 HydrophobicContact CG-CD1 4.02Å; R781-L823 HydrophobicContact CG-CD2 4.21Å |
| 782 | A | 92.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.9 | -48.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E778 V780 A784 T785 E786 R822 L823 | E778-A782 VanDerWaalsContact O-CB 3.31Å; E778-A782 WeakPolarHBondContact O-CB 3.21Å; E778-A782 PolarHBondContact O-N 2.73Å; V780-A782 PolarHBondContact O-N 3.18Å; A782-A784 VanDerWaalsContact C-N 3.34Å; A782-A784 PolarHBondContact O-N 2.75Å; A782-T785 PolarHBondContact O-N 3.44Å; A782-E786 WeakPolarHBondContact O-CG 3.48Å; A782-E786 PolarHBondContact O-N 3.49Å; A782-R822 HydrophobicContact CB-CB 4.22Å; A782-R822 HydrophobicContact CB-CG 4.02Å; A782-L823 HydrophobicContact CB-CB 4.39Å |
| 783 | A | 93.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.5 | -37.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F740 L743 M744 L779 V780 E786 C787 | F740-A783 HydrophobicContact CD2-CB 3.93Å; F740-A783 HydrophobicContact CE2-CB 3.97Å; L743-A783 HydrophobicContact CB-CB 3.92Å; L743-A783 HydrophobicContact CD1-CB 4.45Å; M744-A783 HydrophobicContact CG-CB 4.1Å; L779-A783 WeakPolarHBondContact O-CB 3.36Å; L779-A783 PolarHBondContact O-N 2.96Å; V780-A783 PolarHBondContact O-N 3.26Å; A783-E786 PolarHBondContact O-N 3.13Å; A783-C787 WeakPolarHBondContact O-CB 3.33Å; A783-C787 PolarHBondContact O-N 2.85Å |
| 784 | A | 94.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.3 | -42.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L743 I769 M773 V780 A782 C787 M788 | L743-A784 HydrophobicContact CD1-CB 3.99Å; L743-A784 HydrophobicContact CD2-CB 4.35Å; I769-A784 HydrophobicContact CG2-CB 4.38Å; M773-A784 HydrophobicContact CG-CB 3.9Å; V780-A784 WeakPolarHBondContact O-CB 3.28Å; V780-A784 PolarHBondContact O-N 2.8Å; A782-A784 VanDerWaalsContact C-N 3.34Å; A782-A784 PolarHBondContact O-N 2.75Å; A784-C787 WeakPolarHBondContact O-CB 3.38Å; A784-C787 PolarHBondContact O-N 3.44Å; A784-M788 PolarHBondContact O-N 2.89Å |
| 785 | T | 94 | Very high | 91.4 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.2 | -37.9 | 178.6 | -53 | 0 | 0 | 0 | 0 | 111.5 | M773 R781 A782 M788 C789 L812 Y815 L823 A826 A827 | M773-T785 HydrophobicContact CE-CG2 4.24Å; R781-T785 WeakPolarHBondContact O-CB 3.49Å; R781-T785 PolarHBondContact O-N 3.33Å; R781-T785 VanDerWaalsContact O-N 3.08Å; R781-T785 PolarHBondContact O-OG1 3.46Å; A782-T785 PolarHBondContact O-N 3.44Å; T785-M788 PolarHBondContact O-N 3.11Å; T785-C789 WeakPolarHBondContact O-CB 3.46Å; T785-C789 PolarHBondContact O-N 2.88Å; T785-L812 HydrophobicContact CG2-CD2 4.45Å; T785-Y815 HydrophobicContact CG2-CD2 4.33Å; T785-L823 HydrophobicContact CG2-CD1 4.07Å; T785-L823 VanDerWaalsContact OG1-CD1 3.3Å; T785-L823 WeakPolarHBondContact OG1-CD1 3.36Å; T785-A826 HydrophobicContact CG2-CB 3.74Å; T785-A827 HydrophobicContact CG2-CB 4.31Å |
| 786 | E | 94.2 | Very high | 91.2 | Very high | 45 Ų | 45 | 40.9 Ų | 40.9 | 21% | 0.21 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.2 | -41.1 | 171.7 | -72.8 | 178 | 168.4 | 0 | 0 | 112.1 | T747 A782 A783 M788 C789 N790 R822 A826 | T747-E786 HydrophobicContact CG2-CB 3.95Å; A782-E786 WeakPolarHBondContact O-CG 3.48Å; A782-E786 PolarHBondContact O-N 3.49Å; A783-E786 PolarHBondContact O-N 3.13Å; E786-M788 VanDerWaalsContact C-N 3.32Å; E786-M788 PolarHBondContact O-N 2.78Å; E786-C789 VanDerWaalsContact O-CB 3.23Å; E786-C789 WeakPolarHBondContact O-CB 3.32Å; E786-C789 PolarHBondContact O-N 3.4Å; E786-N790 PolarHBondContact O-N 3.27Å; E786-R822 VanDerWaalsContact CD-NE 3.3Å; E786-R822 WeakPolarHBondContact OE1-CG 3.29Å; E786-R822 IonicContact OE1-CZ 2.91Å; E786-R822 IonicContact OE1-NE 3.66Å; E786-R822 PolarHBondContact OE1-NE 2.94Å; E786-R822 IonicContact OE1-NH2 2.89Å; E786-R822 IonicContact OE2-CZ 3.38Å; E786-R822 IonicContact OE2-NE 3.83Å; E786-R822 PolarHBondContact OE2-NE 3.2Å; E786-R822 IonicContact OE2-NH2 2.72Å; E786-R822 PolarHBondContact OE2-NH2 3.28Å; E786-A826 HydrophobicContact CB-CB 4.34Å; E786-A826 HydrophobicContact CG-CB 3.57Å |
| 787 | C | 94.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.1 | -44.4 | 175.2 | -163.4 | 0 | 0 | 0 | 0 | 110.9 | T747 I769 A783 A784 C789 N790 L791 | T747-C787 VanDerWaalsContact OG1-CA 3.23Å; T747-C787 WeakPolarHBondContact OG1-CA 3.44Å; T747-C787 VanDerWaalsContact OG1-CB 3.23Å; T747-C787 WeakPolarHBondContact OG1-CB 3.18Å; T747-C787 PolarHBondContact OG1-N 3.48Å; I769-C787 HydrophobicContact CG2-CB 4.27Å; A783-C787 WeakPolarHBondContact O-CB 3.33Å; A783-C787 PolarHBondContact O-N 2.85Å; A784-C787 WeakPolarHBondContact O-CB 3.38Å; A784-C787 PolarHBondContact O-N 3.44Å; C787-C789 VanDerWaalsContact C-N 3.33Å; C787-C789 PolarHBondContact O-N 2.98Å; C787-N790 PolarHBondContact O-N 3.49Å; C787-L791 VanDerWaalsContact O-CG 3.3Å; C787-L791 WeakPolarHBondContact O-CG 3.38Å; C787-L791 PolarHBondContact O-N 3.43Å |
| 788 | M | 93.9 | Very high | 91.4 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.1 | -40.5 | 176.2 | -172.1 | 59.3 | 71.7 | 0 | 0 | 112.2 | L766 I769 E770 M773 A784 T785 E786 N790 L791 V792 V797 F801 | L766-M788 HydrophobicContact CD2-CE 4.3Å; L766-M788 HydrophobicContact CD2-SD 4.5Å; I769-M788 HydrophobicContact CG2-CE 4.39Å; E770-M788 HydrophobicContact CG-CE 3.72Å; M773-M788 HydrophobicContact SD-CB 4.18Å; M773-M788 HydrophobicContact SD-CE 4.14Å; M773-M788 HydrophobicContact SD-CG 4.27Å; A784-M788 PolarHBondContact O-N 2.89Å; T785-M788 PolarHBondContact O-N 3.11Å; E786-M788 VanDerWaalsContact C-N 3.32Å; E786-M788 PolarHBondContact O-N 2.78Å; M788-N790 VanDerWaalsContact C-N 3.3Å; M788-N790 PolarHBondContact O-N 2.9Å; M788-L791 PolarHBondContact O-N 3.46Å; M788-L791 VanDerWaalsContact O-N 3.08Å; M788-V792 HydrophobicContact CG-CG2 4.34Å; M788-V792 WeakPolarHBondContact O-CG2 3.48Å; M788-V792 PolarHBondContact O-N 3.41Å; M788-V792 HydrophobicContact SD-CG2 4.37Å; M788-V797 HydrophobicContact SD-CG1 4.05Å; M788-F801 HydrophobicContact CG-CE2 4.46Å; M788-F801 HydrophobicContact CG-CZ 4.12Å; M788-F801 HydrophobicContact SD-CE2 4Å; M788-F801 HydrophobicContact SD-CZ 4.15Å |
| 789 | C | 93.3 | Very high | 91.3 | Very high | 13 Ų | 13 | 30.5 Ų | 30.5 | 9% | 0.088 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -53.2 | -46.1 | 176.1 | -167.7 | 0 | 0 | 0 | 0 | 111.9 | T785 E786 C787 T830 M833 | T785-C789 WeakPolarHBondContact O-CB 3.46Å; T785-C789 PolarHBondContact O-N 2.88Å; E786-C789 VanDerWaalsContact O-CB 3.23Å; E786-C789 WeakPolarHBondContact O-CB 3.32Å; E786-C789 PolarHBondContact O-N 3.4Å; C787-C789 VanDerWaalsContact C-N 3.33Å; C787-C789 PolarHBondContact O-N 2.98Å; C789-T830 VanDerWaalsContact CA-OG1 3.24Å; C789-T830 WeakPolarHBondContact CA-OG1 3.46Å; C789-T830 WeakPolarHBondContact CB-OG1 3.29Å; C789-T830 PolarHBondContact SG-OG1 3.47Å; C789-M833 HydrophobicContact CB-CE 4.46Å; C789-M833 WeakPolarHBondContact O-CE 3.43Å; C789-M833 WeakPolarHBondContact SG-CE 3.21Å |
| 790 | N | 94.1 | Very high | 91.1 | Very high | 43 Ų | 43 | 28.8 Ų | 28.8 | 23% | 0.23 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -74.5 | -32.2 | 177.1 | -72 | -12.4 | 0 | 0 | 0 | 113 | T747 A750 R757 E786 C787 M788 L793 | T747-N790 PolarHBondContact O-ND2 3.36Å; A750-N790 HydrophobicContact CB-CB 3.73Å; R757-N790 WeakPolarHBondContact CD-O 3.19Å; E786-N790 PolarHBondContact O-N 3.27Å; C787-N790 PolarHBondContact O-N 3.49Å; M788-N790 VanDerWaalsContact C-N 3.3Å; M788-N790 PolarHBondContact O-N 2.9Å; N790-L793 WeakPolarHBondContact O-CB 3.32Å |
| 791 | L | 92.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -72.2 | -30.2 | 179.6 | -72.6 | 170.7 | 0 | 0 | 0 | 113.1 | A750 R757 I760 L766 I769 C787 M788 L793 S794 V797 | A750-L791 HydrophobicContact CB-CD2 3.99Å; A750-L791 HydrophobicContact CB-CG 4.2Å; R757-L791 HydrophobicContact CB-CD2 4.38Å; R757-L791 HydrophobicContact CG-CD2 4.26Å; I760-L791 HydrophobicContact CB-CD2 4.26Å; I760-L791 HydrophobicContact CD1-CD2 4.26Å; I760-L791 HydrophobicContact CG2-CD1 4.43Å; I760-L791 HydrophobicContact CG2-CD2 3.98Å; L766-L791 HydrophobicContact CD2-CD1 3.93Å; I769-L791 HydrophobicContact CD1-CD1 3.69Å; C787-L791 VanDerWaalsContact O-CG 3.3Å; C787-L791 WeakPolarHBondContact O-CG 3.38Å; C787-L791 PolarHBondContact O-N 3.43Å; M788-L791 PolarHBondContact O-N 3.46Å; M788-L791 VanDerWaalsContact O-N 3.08Å; L791-L793 PolarHBondContact O-N 3.46Å; L791-L793 VanDerWaalsContact O-N 3.14Å; L791-S794 WeakPolarHBondContact O-CB 3.49Å; L791-S794 PolarHBondContact O-N 2.92Å; L791-V797 HydrophobicContact CB-CG2 4.37Å; L791-V797 WeakPolarHBondContact O-CG2 3.34Å |
| 792 | V | 91.3 | Very high | 90.4 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -19.1 | 176.5 | 157.1 | 0 | 0 | 0 | 0 | 113.3 | M788 S794 V797 Q798 F801 T830 M833 L834 | M788-V792 HydrophobicContact CG-CG2 4.34Å; M788-V792 WeakPolarHBondContact O-CG2 3.48Å; M788-V792 PolarHBondContact O-N 3.41Å; M788-V792 HydrophobicContact SD-CG2 4.37Å; V792-S794 PolarHBondContact O-N 3.31Å; V792-V797 HydrophobicContact CG2-CG1 3.88Å; V792-Q798 WeakPolarHBondContact O-CG 3.49Å; V792-Q798 PolarHBondContact O-NE2 2.61Å; V792-F801 HydrophobicContact CG2-CD2 4.25Å; V792-F801 HydrophobicContact CG2-CE2 3.71Å; V792-F801 HydrophobicContact CG2-CZ 4.31Å; V792-T830 HydrophobicContact CB-CG2 4.29Å; V792-T830 HydrophobicContact CG1-CG2 4.45Å; V792-T830 HydrophobicContact CG2-CG2 3.75Å; V792-M833 HydrophobicContact CG1-CB 4.39Å; V792-L834 HydrophobicContact CG1-CD2 3.5Å; V792-L834 HydrophobicContact CG1-CG 3.68Å; V792-L834 HydrophobicContact CG2-CD2 4.24Å; V792-L834 HydrophobicContact CG2-CG 4.46Å |
| 793 | L | 88.9 | Confident | 89.9 | Confident | 78 Ų | 78 | 31 Ų | 31 | 41% | 0.408 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -20.3 | 170.7 | -65.4 | 172.9 | 0 | 0 | 0 | 113.1 | N790 L791 M833 | N790-L793 WeakPolarHBondContact O-CB 3.32Å; L791-L793 PolarHBondContact O-N 3.46Å; L791-L793 VanDerWaalsContact O-N 3.14Å; L793-M833 HydrophobicContact CD2-SD 3.64Å; L793-M833 HydrophobicContact CG-SD 4.28Å |
| 794 | S | 90 | Very high | 88.6 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -85.7 | 132.3 | 175.8 | -168.4 | 0 | 0 | 0 | 0 | 111.6 | E754 L791 V792 E796 V797 Q798 | E754-S794 WeakPolarHBondContact OE1-CB 3.25Å; E754-S794 PolarHBondContact OE1-OG 2.95Å; L791-S794 WeakPolarHBondContact O-CB 3.49Å; L791-S794 PolarHBondContact O-N 2.92Å; V792-S794 PolarHBondContact O-N 3.31Å; S794-E796 PolarHBondContact O-N 3.5Å; S794-E796 VanDerWaalsContact O-N 3.09Å; S794-V797 PolarHBondContact O-N 3.3Å; S794-Q798 PolarHBondContact O-N 3.11Å |
| 795 | T | 87.1 | Confident | 87.4 | Confident | 81 Ų | 81 | 40.8 Ų | 40.8 | 50% | 0.497 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.7 | -25.4 | 179.9 | 63.4 | 0 | 0 | 0 | 0 | 113.7 | K799 | T795-K799 VanDerWaalsContact O-CG 3.32Å; T795-K799 WeakPolarHBondContact O-CG 3.42Å; T795-K799 PolarHBondContact O-N 2.94Å |
| 796 | E | 85.9 | Confident | 86.8 | Confident | 88 Ų | 88 | 42.8 Ų | 42.8 | 41% | 0.411 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -68.2 | -41.5 | 176.4 | -68.6 | -178.7 | -177.6 | 0 | 0 | 111.5 | I761 S794 K799 L800 | I761-E796 HydrophobicContact CD1-CB 4.37Å; I761-E796 WeakPolarHBondContact CG2-OE2 3.17Å; S794-E796 PolarHBondContact O-N 3.5Å; S794-E796 VanDerWaalsContact O-N 3.09Å; E796-K799 PolarHBondContact O-N 2.86Å; E796-L800 PolarHBondContact O-N 3.37Å |
| 797 | V | 87.8 | Confident | 86.3 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.7 | -41.5 | 178.8 | -178.6 | 0 | 0 | 0 | 0 | 110.3 | I761 L766 M788 L791 V792 S794 K799 L800 F801 | I761-V797 HydrophobicContact CD1-CG2 3.69Å; I761-V797 HydrophobicContact CG1-CG2 4.23Å; L766-V797 HydrophobicContact CD1-CG2 4.1Å; L766-V797 HydrophobicContact CD2-CG2 4.11Å; M788-V797 HydrophobicContact SD-CG1 4.05Å; L791-V797 HydrophobicContact CB-CG2 4.37Å; L791-V797 WeakPolarHBondContact O-CG2 3.34Å; V792-V797 HydrophobicContact CG2-CG1 3.88Å; S794-V797 PolarHBondContact O-N 3.3Å; V797-K799 VanDerWaalsContact C-N 3.28Å; V797-K799 PolarHBondContact O-N 3.45Å; V797-L800 WeakPolarHBondContact O-CA 3.28Å; V797-L800 VanDerWaalsContact O-CB 3.3Å; V797-L800 WeakPolarHBondContact O-CB 3.45Å; V797-L800 PolarHBondContact O-N 3.05Å; V797-F801 HydrophobicContact CG1-CD2 4.19Å; V797-F801 HydrophobicContact CG1-CE2 3.9Å; V797-F801 WeakPolarHBondContact O-CD2 3.43Å; V797-F801 PolarHBondContact O-N 3.23Å |
| 798 | Q | 88.8 | Confident | 85.9 | Confident | 10 Ų | 10 | 49.8 Ų | 49.8 | 5% | 0.047 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -55.7 | -43 | 176.5 | -64.3 | 175.5 | 3.2 | 0 | 0 | 112.1 | V792 S794 L800 F801 V802 L834 Q838 | V792-Q798 WeakPolarHBondContact O-CG 3.49Å; V792-Q798 PolarHBondContact O-NE2 2.61Å; S794-Q798 PolarHBondContact O-N 3.11Å; Q798-L800 PolarHBondContact O-N 3.45Å; Q798-F801 PolarHBondContact O-N 3.09Å; Q798-F801 VanDerWaalsContact O-N 3.08Å; Q798-V802 WeakPolarHBondContact O-CG2 3.49Å; Q798-V802 PolarHBondContact O-N 2.7Å; Q798-V802 VanDerWaalsContact O-N 3.12Å; Q798-L834 HydrophobicContact CG-CD2 4.45Å; Q798-Q838 HydrophobicContact CB-CG 4.16Å |
| 799 | K | 86.6 | Confident | 85.6 | Confident | 137 Ų | 137 | 50.2 Ų | 50.2 | 60% | 0.596 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -61.2 | -31.3 | 176.3 | -71.6 | 168.6 | -174.2 | 170.4 | 0 | 112.9 | T795 E796 V797 F801 V802 A803 | T795-K799 VanDerWaalsContact O-CG 3.32Å; T795-K799 WeakPolarHBondContact O-CG 3.42Å; T795-K799 PolarHBondContact O-N 2.94Å; E796-K799 PolarHBondContact O-N 2.86Å; V797-K799 VanDerWaalsContact C-N 3.28Å; V797-K799 PolarHBondContact O-N 3.45Å; K799-F801 VanDerWaalsContact C-N 3.34Å; K799-V802 PolarHBondContact O-N 3.07Å; K799-A803 PolarHBondContact O-N 3.09Å |
| 800 | L | 85.8 | Confident | 85.4 | Confident | 63 Ų | 63 | 53.5 Ų | 53.5 | 33% | 0.33 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.8 | -34.8 | 175.5 | -62.8 | 173 | 0 | 0 | 0 | 112 | L766 E796 V797 Q798 N806 | L766-L800 HydrophobicContact CD1-CD1 3.74Å; E796-L800 PolarHBondContact O-N 3.37Å; V797-L800 WeakPolarHBondContact O-CA 3.28Å; V797-L800 VanDerWaalsContact O-CB 3.3Å; V797-L800 WeakPolarHBondContact O-CB 3.45Å; V797-L800 PolarHBondContact O-N 3.05Å; Q798-L800 PolarHBondContact O-N 3.45Å; L800-N806 PolarHBondContact O-ND2 3.17Å |
| 801 | F | 84.7 | Confident | 85.2 | Confident | 7 Ų | 7 | 52.4 Ų | 52.4 | 3% | 0.031 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -72.9 | -31.4 | 174.3 | -78.8 | -90 | 0 | 0 | 0 | 112.5 | M788 V792 V797 Q798 K799 R808 L812 L834 L841 | M788-F801 HydrophobicContact CG-CE2 4.46Å; M788-F801 HydrophobicContact CG-CZ 4.12Å; M788-F801 HydrophobicContact SD-CE2 4Å; M788-F801 HydrophobicContact SD-CZ 4.15Å; V792-F801 HydrophobicContact CG2-CD2 4.25Å; V792-F801 HydrophobicContact CG2-CE2 3.71Å; V792-F801 HydrophobicContact CG2-CZ 4.31Å; V797-F801 HydrophobicContact CG1-CD2 4.19Å; V797-F801 HydrophobicContact CG1-CE2 3.9Å; V797-F801 WeakPolarHBondContact O-CD2 3.43Å; V797-F801 PolarHBondContact O-N 3.23Å; Q798-F801 PolarHBondContact O-N 3.09Å; Q798-F801 VanDerWaalsContact O-N 3.08Å; K799-F801 VanDerWaalsContact C-N 3.34Å; F801-R808 HydrophobicContact CD1-CB 3.73Å; F801-R808 HydrophobicContact CE1-CB 3.58Å; F801-R808 HydrophobicContact CZ-CB 4.38Å; F801-L812 HydrophobicContact CD1-CD1 4.21Å; F801-L812 HydrophobicContact CE1-CD1 3.46Å; F801-L812 VanDerWaalsContact CE1-CD1 3.46Å; F801-L812 HydrophobicContact CE1-CG 4.27Å; F801-L812 HydrophobicContact CZ-CD1 4.06Å; F801-L834 HydrophobicContact CB-CD1 4.43Å; F801-L834 HydrophobicContact CB-CD2 4.17Å; F801-L834 HydrophobicContact CD1-CD1 3.76Å; F801-L834 HydrophobicContact CD2-CD1 4.35Å; F801-L834 HydrophobicContact CD2-CD2 4.22Å; F801-L834 HydrophobicContact CE1-CD1 4.04Å; F801-L834 HydrophobicContact CG-CD1 3.93Å; F801-L834 HydrophobicContact CG-CD2 4.16Å; F801-L834 HydrophobicContact CZ-CD1 4.47Å; F801-L841 HydrophobicContact CB-CD1 4.35Å |
| 802 | V | 84.1 | Confident | 85.1 | Confident | 35 Ų | 35 | 52.4 Ų | 52.4 | 21% | 0.212 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -73.9 | -29.5 | 176 | 177.5 | 0 | 0 | 0 | 0 | 112.3 | Q798 K799 T804 Q838 L841 R844 | Q798-V802 WeakPolarHBondContact O-CG2 3.49Å; Q798-V802 PolarHBondContact O-N 2.7Å; Q798-V802 VanDerWaalsContact O-N 3.12Å; K799-V802 PolarHBondContact O-N 3.07Å; V802-T804 PolarHBondContact O-N 3.01Å; V802-Q838 HydrophobicContact CG2-CB 4.19Å; V802-Q838 HydrophobicContact CG2-CG 4.07Å; V802-L841 HydrophobicContact CB-CD2 4.47Å; V802-L841 HydrophobicContact CG2-CD1 4.35Å; V802-L841 HydrophobicContact CG2-CD2 3.97Å; V802-L841 HydrophobicContact CG2-CG 4.12Å; V802-R844 PolarHBondContact O-NH1 2.91Å |
| 803 | A | 81.2 | Confident | 85 | Confident | 47 Ų | 47 | 52.4 Ų | 52.4 | 39% | 0.388 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -53.8 | 134.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | K799 N806 | K799-A803 PolarHBondContact O-N 3.09Å; A803-N806 PolarHBondContact O-ND2 3.25Å |
| 804 | T | 66.8 | Low | 85.1 | Confident | 120 Ų | 120 | 52 Ų | 52 | 74% | 0.736 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | 136.7 | 179.4 | 47.7 | 0 | 0 | 0 | 0 | 111.7 | V802 | V802-T804 PolarHBondContact O-N 3.01Š|
| 805 | G | 70.9 | Confident | 85.2 | Confident | 86 Ų | 86 | 52.7 Ų | 52.7 | 89% | 0.887 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.1 | 23.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 806 | N | 79.8 | Confident | 85.3 | Confident | 41 Ų | 41 | 48.8 Ų | 48.8 | 22% | 0.219 | 27% | 0.273 | C | S | . | . | trans | -126.4 | 149.7 | 172.1 | 69.2 | 57.5 | 0 | 0 | 0 | 111.8 | L800 A803 R808 | L800-N806 PolarHBondContact O-ND2 3.17Å; A803-N806 PolarHBondContact O-ND2 3.25Å; N806-R808 VanDerWaalsContact C-N 3.32Å; N806-R808 HydrophobicContact CB-CG 4.19Å; N806-R808 PolarHBondContact ND2-NH1 2.97Å; N806-R808 WeakPolarHBondContact OD1-CB 3.49Å; N806-R808 PolarHBondContact OD1-N 2.88Å | ||
| 807 | D | 83.5 | Confident | 85.2 | Confident | 124 Ų | 124 | 46.6 Ų | 46.6 | 66% | 0.663 | 27% | 0.273 | S | S | * | . | trans | -94.6 | 17.8 | 179 | -68.8 | -41.5 | 0 | 0 | 0 | 112.5 | L809 K810 L811 | D807-L809 PolarHBondContact O-N 3.23Å; D807-K810 HydrophobicContact CB-CB 4.39Å; D807-K810 WeakPolarHBondContact O-CB 3.49Å; D807-K810 PolarHBondContact O-N 3.37Å; D807-L811 PolarHBondContact O-N 3.13Å | ||
| 808 | R | 86.6 | Confident | 85.2 | Confident | 69 Ų | 69 | 50.2 Ų | 50.2 | 26% | 0.26 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.9 | -42.7 | -175.6 | -65.1 | 179.1 | 172.9 | 98.4 | 9.7 | 112.2 | E770 F801 N806 K810 L811 L812 | E770-R808 IonicContact OE1-CZ 2.85Å; E770-R808 IonicContact OE1-NE 3.66Å; E770-R808 PolarHBondContact OE1-NE 2.86Å; E770-R808 IonicContact OE1-NH2 2.72Å; E770-R808 PolarHBondContact OE1-NH2 3.31Å; E770-R808 IonicContact OE2-CZ 3.91Å; E770-R808 IonicContact OE2-NE 3.26Å; E770-R808 IonicContact OE2-NH2 3.39Å; E770-R808 PolarHBondContact OE2-NH2 3.38Å; F801-R808 HydrophobicContact CD1-CB 3.73Å; F801-R808 HydrophobicContact CE1-CB 3.58Å; F801-R808 HydrophobicContact CZ-CB 4.38Å; N806-R808 VanDerWaalsContact C-N 3.32Å; N806-R808 HydrophobicContact CB-CG 4.19Å; N806-R808 PolarHBondContact ND2-NH1 2.97Å; N806-R808 WeakPolarHBondContact OD1-CB 3.49Å; N806-R808 PolarHBondContact OD1-N 2.88Å; R808-K810 VanDerWaalsContact C-N 3.33Å; R808-L811 PolarHBondContact O-N 3.37Å; R808-L812 PolarHBondContact O-N 3.48Å |
| 809 | L | 87.3 | Confident | 85 | Confident | 10 Ų | 10 | 58.5 Ų | 58.5 | 5% | 0.052 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.4 | -40.6 | 177 | -175.5 | 64.2 | 0 | 0 | 0 | 111.1 | D807 L811 L812 V813 L831 R844 I845 T848 | D807-L809 PolarHBondContact O-N 3.23Å; L809-L811 VanDerWaalsContact C-N 3.34Å; L809-L811 PolarHBondContact O-N 3.28Å; L809-L812 PolarHBondContact O-N 3.37Å; L809-V813 WeakPolarHBondContact O-CG2 3.45Å; L809-V813 PolarHBondContact O-N 3.12Å; L809-V813 VanDerWaalsContact O-N 3.11Å; L809-L831 HydrophobicContact CD1-CD1 3.8Å; L809-R844 HydrophobicContact CD2-CB 3.93Å; L809-I845 HydrophobicContact CD1-CG1 4.34Å; L809-I845 HydrophobicContact CD2-CG1 4.07Å; L809-I845 HydrophobicContact CG-CG1 4.45Å; L809-T848 HydrophobicContact CB-CG2 4.32Å; L809-T848 HydrophobicContact CD2-CG2 4Å; L809-T848 HydrophobicContact CG-CG2 4.06Å |
| 810 | K | 89.4 | Confident | 85.1 | Confident | 81 Ų | 81 | 54 Ų | 54 | 35% | 0.352 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.2 | -44.1 | 177.2 | -176.6 | 179.1 | -179.6 | -179.2 | 0 | 111.6 | D807 R808 L812 V813 L814 T848 T849 | D807-K810 HydrophobicContact CB-CB 4.39Å; D807-K810 WeakPolarHBondContact O-CB 3.49Å; D807-K810 PolarHBondContact O-N 3.37Å; R808-K810 VanDerWaalsContact C-N 3.33Å; K810-L812 PolarHBondContact O-N 2.71Å; K810-V813 PolarHBondContact O-N 3.42Å; K810-L814 HydrophobicContact CG-CD1 4.16Å; K810-L814 WeakPolarHBondContact O-CG 3.27Å; K810-L814 PolarHBondContact O-N 3.11Å; K810-T848 HydrophobicContact CB-CG2 4.22Å; K810-T848 WeakPolarHBondContact CD-O 3.43Å; K810-T848 WeakPolarHBondContact CE-O 3.25Å; K810-T849 HydrophobicContact CG-CG2 4.2Å |
| 811 | L | 90.2 | Very high | 85.2 | Confident | 21 Ų | 21 | 55.2 Ų | 55.2 | 11% | 0.11 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.6 | -46.2 | 177.8 | -171.3 | 67.2 | 0 | 0 | 0 | 112.1 | M773 F774 D807 R808 L809 V813 L814 Y815 | M773-L811 HydrophobicContact CB-CD2 4.08Å; M773-L811 HydrophobicContact CE-CD2 3.84Å; F774-L811 HydrophobicContact CD1-CD1 4.24Å; F774-L811 HydrophobicContact CD1-CD2 4.39Å; F774-L811 HydrophobicContact CE1-CD1 3.82Å; F774-L811 HydrophobicContact CE1-CD2 3.78Å; F774-L811 HydrophobicContact CE1-CG 4.38Å; F774-L811 HydrophobicContact CE2-CD2 4.22Å; F774-L811 HydrophobicContact CZ-CD2 3.69Å; D807-L811 PolarHBondContact O-N 3.13Å; R808-L811 PolarHBondContact O-N 3.37Å; L809-L811 VanDerWaalsContact C-N 3.34Å; L809-L811 PolarHBondContact O-N 3.28Å; L811-V813 VanDerWaalsContact C-N 3.35Å; L811-V813 PolarHBondContact O-N 3.09Å; L811-L814 PolarHBondContact O-N 3.48Å; L811-Y815 HydrophobicContact CD1-CD1 4.36Å; L811-Y815 HydrophobicContact CD1-CE1 3.66Å; L811-Y815 HydrophobicContact CD1-CE2 4.04Å; L811-Y815 VanDerWaalsContact CD1-CZ 3.47Å; L811-Y815 WeakPolarHBondContact CD1-OH 3.34Å; L811-Y815 HydrophobicContact CD2-CE2 4.13Å; L811-Y815 HydrophobicContact CG-CD2 4.26Å; L811-Y815 HydrophobicContact CG-CE1 4.24Å; L811-Y815 HydrophobicContact CG-CE2 3.82Å; L811-Y815 PolarHBondContact O-N 3.21Å |
| 812 | L | 90.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.2 | -38.7 | 179.1 | -69.9 | 177.8 | 0 | 0 | 0 | 112.7 | M773 T785 F801 R808 L809 K810 Y815 C816 T830 L834 | M773-L812 HydrophobicContact CE-CD2 4.11Å; T785-L812 HydrophobicContact CG2-CD2 4.45Å; F801-L812 HydrophobicContact CD1-CD1 4.21Å; F801-L812 HydrophobicContact CE1-CD1 3.46Å; F801-L812 VanDerWaalsContact CE1-CD1 3.46Å; F801-L812 HydrophobicContact CE1-CG 4.27Å; F801-L812 HydrophobicContact CZ-CD1 4.06Å; R808-L812 PolarHBondContact O-N 3.48Å; L809-L812 PolarHBondContact O-N 3.37Å; K810-L812 PolarHBondContact O-N 2.71Å; L812-Y815 PolarHBondContact O-N 2.91Å; L812-C816 PolarHBondContact O-N 3.33Å; L812-C816 PolarHBondContact O-SG 3.33Å; L812-T830 HydrophobicContact CD1-CG2 3.68Å; L812-T830 HydrophobicContact CD2-CG2 4.12Å; L812-L834 HydrophobicContact CD1-CD1 3.67Å |
| 813 | V | 90.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.7 | -45.6 | 176.2 | 174.7 | 0 | 0 | 0 | 0 | 110.2 | L809 K810 L811 Y815 C816 L831 I845 W852 I855 | L809-V813 WeakPolarHBondContact O-CG2 3.45Å; L809-V813 PolarHBondContact O-N 3.12Å; L809-V813 VanDerWaalsContact O-N 3.11Å; K810-V813 PolarHBondContact O-N 3.42Å; L811-V813 VanDerWaalsContact C-N 3.35Å; L811-V813 PolarHBondContact O-N 3.09Å; V813-Y815 VanDerWaalsContact C-N 3.35Å; V813-Y815 PolarHBondContact O-N 3.32Å; V813-C816 WeakPolarHBondContact O-CB 3.45Å; V813-C816 PolarHBondContact O-N 3.46Å; V813-L831 HydrophobicContact CG2-CD2 4.25Å; V813-I845 HydrophobicContact CG2-CG2 4.08Å; V813-W852 HydrophobicContact CG1-CB 4.34Å; V813-I855 HydrophobicContact CG1-CD1 4.18Å |
| 814 | L | 90.2 | Very high | 86.3 | Confident | 69 Ų | 69 | 56.6 Ų | 56.6 | 36% | 0.361 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.7 | -43.6 | 176 | -72.3 | 171.1 | 0 | 0 | 0 | 112 | K810 L811 C816 G817 E818 T849 | K810-L814 HydrophobicContact CG-CD1 4.16Å; K810-L814 WeakPolarHBondContact O-CG 3.27Å; K810-L814 PolarHBondContact O-N 3.11Å; L811-L814 PolarHBondContact O-N 3.48Å; L814-C816 PolarHBondContact O-N 3.4Å; L814-G817 PolarHBondContact O-N 3.33Å; L814-E818 PolarHBondContact O-N 3.05Å; L814-T849 HydrophobicContact CD1-CG2 4.49Å; L814-T849 HydrophobicContact CD2-CG2 3.7Å; L814-T849 HydrophobicContact CG-CG2 4.07Å |
| 815 | Y | 92 | Very high | 87.5 | Confident | 15 Ų | 15 | 53.1 Ų | 53.1 | 6% | 0.059 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.5 | -19.3 | 179.2 | -72.6 | -1.5 | 0 | 0 | 0 | 114.4 | M773 R781 T785 L811 L812 V813 G817 E818 L823 R824 A827 | M773-Y815 HydrophobicContact CB-CE2 4.47Å; M773-Y815 HydrophobicContact CE-CE2 4.28Å; M773-Y815 PolarHBondContact O-OH 2.93Å; R781-Y815 HydrophobicContact CG-CE2 4.27Å; T785-Y815 HydrophobicContact CG2-CD2 4.33Å; L811-Y815 HydrophobicContact CD1-CD1 4.36Å; L811-Y815 HydrophobicContact CD1-CE1 3.66Å; L811-Y815 HydrophobicContact CD1-CE2 4.04Å; L811-Y815 VanDerWaalsContact CD1-CZ 3.47Å; L811-Y815 WeakPolarHBondContact CD1-OH 3.34Å; L811-Y815 HydrophobicContact CD2-CE2 4.13Å; L811-Y815 HydrophobicContact CG-CD2 4.26Å; L811-Y815 HydrophobicContact CG-CE1 4.24Å; L811-Y815 HydrophobicContact CG-CE2 3.82Å; L811-Y815 PolarHBondContact O-N 3.21Å; L812-Y815 PolarHBondContact O-N 2.91Å; V813-Y815 VanDerWaalsContact C-N 3.35Å; V813-Y815 PolarHBondContact O-N 3.32Å; Y815-G817 PolarHBondContact O-N 3.11Å; Y815-E818 HydrophobicContact CD1-CG 4.13Å; Y815-L823 HydrophobicContact CD1-CD2 4.16Å; Y815-L823 HydrophobicContact CD2-CD1 3.65Å; Y815-L823 HydrophobicContact CD2-CD2 4.34Å; Y815-L823 HydrophobicContact CD2-CG 4.18Å; Y815-L823 HydrophobicContact CE1-CD2 4.47Å; Y815-L823 HydrophobicContact CE2-CD1 4.03Å; Y815-L823 HydrophobicContact CG-CD1 4.11Å; Y815-L823 HydrophobicContact CG-CD2 4.09Å; Y815-L823 HydrophobicContact CG-CG 4.12Å; Y815-R824 WeakPolarHBondContact O-CA 3.2Å; Y815-A827 VanDerWaalsContact CB-CB 3.48Å |
| 816 | C | 88.3 | Confident | 88.5 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.4 | -25.6 | 170.7 | -66.6 | 0 | 0 | 0 | 0 | 112.8 | L812 V813 L814 R824 I855 L859 | L812-C816 PolarHBondContact O-N 3.33Å; L812-C816 PolarHBondContact O-SG 3.33Å; V813-C816 WeakPolarHBondContact O-CB 3.45Å; V813-C816 PolarHBondContact O-N 3.46Å; L814-C816 PolarHBondContact O-N 3.4Å; C816-R824 PolarHBondContact O-NE 3.26Å; C816-I855 HydrophobicContact CB-CG2 3.57Å; C816-L859 HydrophobicContact CB-CD1 3.98Å; C816-L859 HydrophobicContact CB-CD2 4.39Å; C816-L859 HydrophobicContact CB-CG 4.39Å |
| 817 | G | 84.8 | Confident | 89.1 | Confident | 41 Ų | 41 | 47.3 Ų | 47.3 | 42% | 0.423 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -97.8 | -2.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | L814 Y815 | L814-G817 PolarHBondContact O-N 3.33Å; Y815-G817 PolarHBondContact O-N 3.11Å |
| 818 | E | 88.1 | Confident | 89.6 | Confident | 78 Ų | 78 | 41.4 Ų | 41.4 | 36% | 0.364 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -66.9 | 167.1 | 175.1 | -74 | -70.7 | 144.3 | 0 | 0 | 112.1 | L814 Y815 L823 R824 | L814-E818 PolarHBondContact O-N 3.05Å; Y815-E818 HydrophobicContact CD1-CG 4.13Å; E818-L823 HydrophobicContact CB-CD2 4.24Å; E818-L823 HydrophobicContact CG-CD2 4.14Å; E818-R824 WeakPolarHBondContact O-CD 3.38Å; E818-R824 VanDerWaalsContact O-CG 3.24Å; E818-R824 WeakPolarHBondContact O-CG 3.36Å; E818-R824 PolarHBondContact O-NE 2.86Å |
| 819 | E | 84.3 | Confident | 89.8 | Confident | 185 Ų | 185 | 38.5 Ų | 38.5 | 86% | 0.864 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -81.2 | -34 | 178.6 | -64.8 | -171.8 | 172.9 | 0 | 0 | 112.9 | E821 | E819-E821 PolarHBondContact O-N 3.32Å; E819-E821 VanDerWaalsContact O-N 3.11Å |
| 820 | D | 87.9 | Confident | 90 | Very high | 42 Ų | 42 | 38 Ų | 38 | 23% | 0.225 | 19% | 0.188 | C | C | . | . | trans | -63.5 | 111.4 | -177.4 | 174.7 | 15.7 | 0 | 0 | 0 | 111.9 | R822 L823 R824 | D820-R822 VanDerWaalsContact C-N 3.27Å; D820-R822 PolarHBondContact O-N 3.25Å; D820-R822 PolarHBondContact OD1-N 3.25Å; D820-L823 HydrophobicContact CB-CB 4Å; D820-L823 PolarHBondContact O-N 3.21Å; D820-L823 WeakPolarHBondContact OD2-CB 3.33Å; D820-L823 PolarHBondContact OD2-N 3.26Å; D820-R824 VanDerWaalsContact O-CG 3.23Å; D820-R824 WeakPolarHBondContact O-CG 3.43Å; D820-R824 PolarHBondContact O-N 3.37Å | ||
| 821 | E | 89 | Confident | 90.1 | Very high | 89 Ų | 89 | 34.2 Ų | 34.2 | 42% | 0.416 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -54.2 | -41.6 | -179.5 | -175 | -176.1 | 159 | 0 | 0 | 112.9 | E819 K825 I864 | E819-E821 PolarHBondContact O-N 3.32Å; E819-E821 VanDerWaalsContact O-N 3.11Å; E821-K825 HydrophobicContact CG-CD 4.17Å; E821-K825 WeakPolarHBondContact O-CB 3.33Å; E821-K825 VanDerWaalsContact O-CG 3.32Å; E821-K825 WeakPolarHBondContact O-CG 3.46Å; E821-K825 PolarHBondContact O-N 3.43Å; E821-K825 WeakPolarHBondContact OE1-CE 3.45Å; E821-K825 IonicContact OE1-NZ 2.87Å; E821-K825 PolarHBondContact OE1-NZ 3.47Å; E821-I864 HydrophobicContact CG-CD1 3.54Å; E821-I864 WeakPolarHBondContact OE1-CD1 3.41Å |
| 822 | R | 90.1 | Very high | 90.1 | Very high | 74 Ų | 74 | 33.7 Ų | 33.7 | 28% | 0.279 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -68.4 | -45.7 | -175.6 | -170.1 | 178.8 | 178.6 | -176.8 | -3.7 | 110.3 | A782 E786 D820 K825 A826 | A782-R822 HydrophobicContact CB-CB 4.22Å; A782-R822 HydrophobicContact CB-CG 4.02Å; E786-R822 VanDerWaalsContact CD-NE 3.3Å; E786-R822 WeakPolarHBondContact OE1-CG 3.29Å; E786-R822 IonicContact OE1-CZ 2.91Å; E786-R822 IonicContact OE1-NE 3.66Å; E786-R822 PolarHBondContact OE1-NE 2.94Å; E786-R822 IonicContact OE1-NH2 2.89Å; E786-R822 IonicContact OE2-CZ 3.38Å; E786-R822 IonicContact OE2-NE 3.83Å; E786-R822 PolarHBondContact OE2-NE 3.2Å; E786-R822 IonicContact OE2-NH2 2.72Å; E786-R822 PolarHBondContact OE2-NH2 3.28Å; D820-R822 VanDerWaalsContact C-N 3.27Å; D820-R822 PolarHBondContact O-N 3.25Å; D820-R822 PolarHBondContact OD1-N 3.25Å; R822-K825 PolarHBondContact O-N 3.3Å; R822-A826 PolarHBondContact O-N 2.84Å; R822-A826 VanDerWaalsContact O-N 3.08Å |
| 823 | L | 91.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.1 | -47.9 | 175.5 | -176.9 | 62.1 | 0 | 0 | 0 | 112 | R781 A782 T785 Y815 E818 D820 K825 A826 A827 | R781-L823 HydrophobicContact CG-CD1 4.02Å; R781-L823 HydrophobicContact CG-CD2 4.21Å; A782-L823 HydrophobicContact CB-CB 4.39Å; T785-L823 HydrophobicContact CG2-CD1 4.07Å; T785-L823 VanDerWaalsContact OG1-CD1 3.3Å; T785-L823 WeakPolarHBondContact OG1-CD1 3.36Å; Y815-L823 HydrophobicContact CD1-CD2 4.16Å; Y815-L823 HydrophobicContact CD2-CD1 3.65Å; Y815-L823 HydrophobicContact CD2-CD2 4.34Å; Y815-L823 HydrophobicContact CD2-CG 4.18Å; Y815-L823 HydrophobicContact CE1-CD2 4.47Å; Y815-L823 HydrophobicContact CE2-CD1 4.03Å; Y815-L823 HydrophobicContact CG-CD1 4.11Å; Y815-L823 HydrophobicContact CG-CD2 4.09Å; Y815-L823 HydrophobicContact CG-CG 4.12Å; E818-L823 HydrophobicContact CB-CD2 4.24Å; E818-L823 HydrophobicContact CG-CD2 4.14Å; D820-L823 HydrophobicContact CB-CB 4Å; D820-L823 PolarHBondContact O-N 3.21Å; D820-L823 WeakPolarHBondContact OD2-CB 3.33Å; D820-L823 PolarHBondContact OD2-N 3.26Å; L823-K825 VanDerWaalsContact C-N 3.31Å; L823-K825 PolarHBondContact O-N 3.39Å; L823-A826 PolarHBondContact O-N 3.22Å; L823-A827 WeakPolarHBondContact O-CB 3.24Å; L823-A827 PolarHBondContact O-N 3.01Å |
| 824 | R | 92.3 | Very high | 90.1 | Very high | 43 Ų | 43 | 36.3 Ų | 36.3 | 16% | 0.162 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.8 | -43.9 | 177.4 | -68.4 | 174.1 | 86.2 | 176.2 | -5.3 | 112 | Y815 C816 E818 D820 A827 A828 L867 | Y815-R824 WeakPolarHBondContact O-CA 3.2Å; C816-R824 PolarHBondContact O-NE 3.26Å; E818-R824 WeakPolarHBondContact O-CD 3.38Å; E818-R824 VanDerWaalsContact O-CG 3.24Å; E818-R824 WeakPolarHBondContact O-CG 3.36Å; E818-R824 PolarHBondContact O-NE 2.86Å; D820-R824 VanDerWaalsContact O-CG 3.23Å; D820-R824 WeakPolarHBondContact O-CG 3.43Å; D820-R824 PolarHBondContact O-N 3.37Å; R824-A827 PolarHBondContact O-N 2.99Å; R824-A828 WeakPolarHBondContact O-CB 3.45Å; R824-A828 PolarHBondContact O-N 3.43Å; R824-L867 HydrophobicContact CB-CD1 4.39Å; R824-L867 HydrophobicContact CB-CD2 4.11Å |
| 825 | K | 90.9 | Very high | 90.1 | Very high | 48 Ų | 48 | 33.2 Ų | 33.2 | 21% | 0.209 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.3 | -51.1 | 177.7 | -82.4 | 175 | 172 | 175.4 | 0 | 110.1 | E821 R822 L823 G829 L867 R870 | E821-K825 HydrophobicContact CG-CD 4.17Å; E821-K825 WeakPolarHBondContact O-CB 3.33Å; E821-K825 VanDerWaalsContact O-CG 3.32Å; E821-K825 WeakPolarHBondContact O-CG 3.46Å; E821-K825 PolarHBondContact O-N 3.43Å; E821-K825 WeakPolarHBondContact OE1-CE 3.45Å; E821-K825 IonicContact OE1-NZ 2.87Å; E821-K825 PolarHBondContact OE1-NZ 3.47Å; R822-K825 PolarHBondContact O-N 3.3Å; L823-K825 VanDerWaalsContact C-N 3.31Å; L823-K825 PolarHBondContact O-N 3.39Å; K825-G829 PolarHBondContact O-N 3.01Å; K825-L867 HydrophobicContact CB-CD2 4.17Å; K825-L867 HydrophobicContact CG-CD1 4.25Å; K825-L867 HydrophobicContact CG-CD2 3.56Å; K825-L867 HydrophobicContact CG-CG 3.71Å; K825-R870 PolarHBondContact O-NH1 3.25Å |
| 826 | A | 92.1 | Very high | 90 | Very high | 5 Ų | 5 | 35 Ų | 35 | 4% | 0.041 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.5 | -46.8 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | T785 E786 R822 L823 G829 T830 | T785-A826 HydrophobicContact CG2-CB 3.74Å; E786-A826 HydrophobicContact CB-CB 4.34Å; E786-A826 HydrophobicContact CG-CB 3.57Å; R822-A826 PolarHBondContact O-N 2.84Å; R822-A826 VanDerWaalsContact O-N 3.08Å; L823-A826 PolarHBondContact O-N 3.22Å; A826-G829 PolarHBondContact O-N 2.57Å; A826-T830 WeakPolarHBondContact O-CB 3.48Å; A826-T830 PolarHBondContact O-N 2.84Å; A826-T830 PolarHBondContact O-OG1 2.9Å |
| 827 | A | 93.2 | Very high | 90 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.1 | -49.3 | 180 | 0 | 0 | 0 | 0 | 0 | 112.5 | T785 Y815 L823 R824 G829 T830 L831 | T785-A827 HydrophobicContact CG2-CB 4.31Å; Y815-A827 VanDerWaalsContact CB-CB 3.48Å; L823-A827 WeakPolarHBondContact O-CB 3.24Å; L823-A827 PolarHBondContact O-N 3.01Å; R824-A827 PolarHBondContact O-N 2.99Å; A827-G829 VanDerWaalsContact C-N 3.31Å; A827-G829 PolarHBondContact O-N 3.5Å; A827-T830 WeakPolarHBondContact O-CB 3.32Å; A827-T830 PolarHBondContact O-N 3.41Å; A827-L831 WeakPolarHBondContact O-CB 3.43Å; A827-L831 PolarHBondContact O-N 3.38Å |
| 828 | A | 92.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.6 | -37.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | R824 L831 A832 L859 L867 R870 I874 | R824-A828 WeakPolarHBondContact O-CB 3.45Å; R824-A828 PolarHBondContact O-N 3.43Å; A828-L831 PolarHBondContact O-N 3.14Å; A828-A832 VanDerWaalsContact O-CB 3.3Å; A828-A832 WeakPolarHBondContact O-CB 3.36Å; A828-A832 PolarHBondContact O-N 2.97Å; A828-L859 HydrophobicContact CB-CD1 4.31Å; A828-L859 HydrophobicContact CB-CD2 4.37Å; A828-L867 HydrophobicContact CB-CD2 4.33Å; A828-R870 HydrophobicContact CB-CB 4.1Å; A828-I874 HydrophobicContact CB-CD1 4.3Å |
| 829 | G | 91.6 | Very high | 89.9 | Confident | 7 Ų | 7 | 40.8 Ų | 40.8 | 7% | 0.072 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.2 | -45 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K825 A826 A827 L831 A832 M833 | K825-G829 PolarHBondContact O-N 3.01Å; A826-G829 PolarHBondContact O-N 2.57Å; A827-G829 VanDerWaalsContact C-N 3.31Å; A827-G829 PolarHBondContact O-N 3.5Å; G829-L831 PolarHBondContact O-N 3.4Å; G829-A832 PolarHBondContact O-N 3.4Å; G829-M833 WeakPolarHBondContact O-CE 3.29Å; G829-M833 WeakPolarHBondContact O-CG 3.43Å; G829-M833 PolarHBondContact O-N 3.44Å; G829-M833 VanDerWaalsContact O-N 3.12Å |
| 830 | T | 91.6 | Very high | 90 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.2 | -46.2 | 177.1 | -51.5 | 0 | 0 | 0 | 0 | 110.9 | C789 V792 L812 A826 A827 M833 L834 | C789-T830 VanDerWaalsContact CA-OG1 3.24Å; C789-T830 WeakPolarHBondContact CA-OG1 3.46Å; C789-T830 WeakPolarHBondContact CB-OG1 3.29Å; C789-T830 PolarHBondContact SG-OG1 3.47Å; V792-T830 HydrophobicContact CB-CG2 4.29Å; V792-T830 HydrophobicContact CG1-CG2 4.45Å; V792-T830 HydrophobicContact CG2-CG2 3.75Å; L812-T830 HydrophobicContact CD1-CG2 3.68Å; L812-T830 HydrophobicContact CD2-CG2 4.12Å; A826-T830 WeakPolarHBondContact O-CB 3.48Å; A826-T830 PolarHBondContact O-N 2.84Å; A826-T830 PolarHBondContact O-OG1 2.9Å; A827-T830 WeakPolarHBondContact O-CB 3.32Å; A827-T830 PolarHBondContact O-N 3.41Å; T830-M833 PolarHBondContact O-N 2.77Å; T830-L834 HydrophobicContact CG2-CD1 4.1Å; T830-L834 WeakPolarHBondContact O-CB 3.41Å; T830-L834 WeakPolarHBondContact O-CG 3.46Å; T830-L834 PolarHBondContact O-N 3.37Å |
| 831 | L | 91.7 | Very high | 89.8 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.1 | -38.9 | -179.6 | -170.6 | 62.4 | 0 | 0 | 0 | 112.2 | L809 V813 A827 A828 G829 M833 L834 T835 I845 F856 I874 | L809-L831 HydrophobicContact CD1-CD1 3.8Å; V813-L831 HydrophobicContact CG2-CD2 4.25Å; A827-L831 WeakPolarHBondContact O-CB 3.43Å; A827-L831 PolarHBondContact O-N 3.38Å; A828-L831 PolarHBondContact O-N 3.14Å; G829-L831 PolarHBondContact O-N 3.4Å; L831-M833 VanDerWaalsContact C-N 3.34Å; L831-M833 PolarHBondContact O-N 2.63Å; L831-L834 PolarHBondContact O-N 3.48Å; L831-T835 HydrophobicContact CD1-CG2 4.19Å; L831-T835 HydrophobicContact CG-CG2 4.34Å; L831-T835 WeakPolarHBondContact O-CB 3.25Å; L831-T835 VanDerWaalsContact O-CG2 3.27Å; L831-T835 WeakPolarHBondContact O-CG2 3.37Å; L831-T835 PolarHBondContact O-N 2.95Å; L831-T835 PolarHBondContact O-OG1 3Å; L831-I845 HydrophobicContact CD1-CD1 4.22Å; L831-F856 HydrophobicContact CD2-CE1 3.7Å; L831-F856 HydrophobicContact CD2-CZ 3.76Å; L831-I874 HydrophobicContact CB-CD1 4.11Å; L831-I874 HydrophobicContact CB-CG1 4.42Å; L831-I874 HydrophobicContact CD2-CD1 4.07Å; L831-I874 HydrophobicContact CD2-CG2 4.14Å; L831-I874 HydrophobicContact CG-CD1 4.22Å; L831-I874 HydrophobicContact CG-CG1 4.3Å; L831-I874 HydrophobicContact CG-CG2 4.3Å |
| 832 | A | 90.8 | Very high | 89.6 | Confident | 11 Ų | 11 | 32.2 Ų | 32.2 | 9% | 0.091 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.8 | -42.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A828 G829 T835 A836 V873 I874 N877 | A828-A832 VanDerWaalsContact O-CB 3.3Å; A828-A832 WeakPolarHBondContact O-CB 3.36Å; A828-A832 PolarHBondContact O-N 2.97Å; G829-A832 PolarHBondContact O-N 3.4Å; A832-T835 PolarHBondContact O-OG1 3.13Å; A832-T835 VanDerWaalsContact O-OG1 3.08Å; A832-A836 WeakPolarHBondContact O-CB 3.41Å; A832-A836 PolarHBondContact O-N 3.31Å; A832-V873 HydrophobicContact CB-CG1 4.22Å; A832-I874 HydrophobicContact CB-CD1 4.44Å; A832-I874 HydrophobicContact CB-CG1 3.81Å; A832-N877 PolarHBondContact O-ND2 2.91Å |
| 833 | M | 90.4 | Very high | 89.4 | Confident | 55 Ų | 55 | 31.6 Ų | 31.6 | 27% | 0.271 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -69.6 | -43.2 | 177.1 | -70.8 | -174.7 | -81.3 | 0 | 0 | 112.3 | C789 V792 L793 G829 T830 L831 A836 E837 | C789-M833 HydrophobicContact CB-CE 4.46Å; C789-M833 WeakPolarHBondContact O-CE 3.43Å; C789-M833 WeakPolarHBondContact SG-CE 3.21Å; V792-M833 HydrophobicContact CG1-CB 4.39Å; L793-M833 HydrophobicContact CD2-SD 3.64Å; L793-M833 HydrophobicContact CG-SD 4.28Å; G829-M833 WeakPolarHBondContact O-CE 3.29Å; G829-M833 WeakPolarHBondContact O-CG 3.43Å; G829-M833 PolarHBondContact O-N 3.44Å; G829-M833 VanDerWaalsContact O-N 3.12Å; T830-M833 PolarHBondContact O-N 2.77Å; L831-M833 VanDerWaalsContact C-N 3.34Å; L831-M833 PolarHBondContact O-N 2.63Å; M833-A836 PolarHBondContact O-N 3.42Å; M833-E837 PolarHBondContact O-N 3.15Å; M833-E837 VanDerWaalsContact O-N 3.09Å |
| 834 | L | 90.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.4 | -44.1 | 177.7 | -76.6 | 173.5 | 0 | 0 | 0 | 112.3 | V792 Q798 F801 L812 T830 L831 A836 Q838 L841 | V792-L834 HydrophobicContact CG1-CD2 3.5Å; V792-L834 HydrophobicContact CG1-CG 3.68Å; V792-L834 HydrophobicContact CG2-CD2 4.24Å; V792-L834 HydrophobicContact CG2-CG 4.46Å; Q798-L834 HydrophobicContact CG-CD2 4.45Å; F801-L834 HydrophobicContact CB-CD1 4.43Å; F801-L834 HydrophobicContact CB-CD2 4.17Å; F801-L834 HydrophobicContact CD1-CD1 3.76Å; F801-L834 HydrophobicContact CD2-CD1 4.35Å; F801-L834 HydrophobicContact CD2-CD2 4.22Å; F801-L834 HydrophobicContact CE1-CD1 4.04Å; F801-L834 HydrophobicContact CG-CD1 3.93Å; F801-L834 HydrophobicContact CG-CD2 4.16Å; F801-L834 HydrophobicContact CZ-CD1 4.47Å; L812-L834 HydrophobicContact CD1-CD1 3.67Å; T830-L834 HydrophobicContact CG2-CD1 4.1Å; T830-L834 WeakPolarHBondContact O-CB 3.41Å; T830-L834 WeakPolarHBondContact O-CG 3.46Å; T830-L834 PolarHBondContact O-N 3.37Å; L831-L834 PolarHBondContact O-N 3.48Å; L834-A836 VanDerWaalsContact C-N 3.3Å; L834-A836 PolarHBondContact O-N 2.96Å; L834-Q838 WeakPolarHBondContact O-CA 3.41Å; L834-Q838 WeakPolarHBondContact O-CB 3.27Å; L834-Q838 PolarHBondContact O-N 3.47Å; L834-L841 HydrophobicContact CB-CD1 4.03Å; L834-L841 HydrophobicContact CD2-CD1 4.21Å |
| 835 | T | 90.1 | Very high | 88.7 | Confident | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.9 | -27.9 | -179.7 | 52 | 0 | 0 | 0 | 0 | 112.8 | L831 A832 I845 N877 | L831-T835 HydrophobicContact CD1-CG2 4.19Å; L831-T835 HydrophobicContact CG-CG2 4.34Å; L831-T835 WeakPolarHBondContact O-CB 3.25Å; L831-T835 VanDerWaalsContact O-CG2 3.27Å; L831-T835 WeakPolarHBondContact O-CG2 3.37Å; L831-T835 PolarHBondContact O-N 2.95Å; L831-T835 PolarHBondContact O-OG1 3Å; A832-T835 PolarHBondContact O-OG1 3.13Å; A832-T835 VanDerWaalsContact O-OG1 3.08Å; T835-I845 HydrophobicContact CG2-CD1 3.92Å; T835-N877 PolarHBondContact OG1-ND2 3.08Å; T835-N877 VanDerWaalsContact OG1-ND2 3.1Å |
| 836 | A | 88.9 | Confident | 88.4 | Confident | 52 Ų | 52 | 33.7 Ų | 33.7 | 43% | 0.43 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -74.7 | -47.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | A832 M833 L834 N877 | A832-A836 WeakPolarHBondContact O-CB 3.41Å; A832-A836 PolarHBondContact O-N 3.31Å; M833-A836 PolarHBondContact O-N 3.42Å; L834-A836 VanDerWaalsContact C-N 3.3Å; L834-A836 PolarHBondContact O-N 2.96Å; A836-N877 PolarHBondContact N-ND2 3.28Å |
| 837 | E | 87.8 | Confident | 87.8 | Confident | 126 Ų | 126 | 37 Ų | 37 | 59% | 0.589 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -83.3 | -26.6 | -174.3 | -64.5 | -65.9 | 149.2 | 0 | 0 | 113.1 | M833 | M833-E837 PolarHBondContact O-N 3.15Å; M833-E837 VanDerWaalsContact O-N 3.09Å |
| 838 | Q | 87.1 | Confident | 87.2 | Confident | 48 Ų | 48 | 38.3 Ų | 38.3 | 22% | 0.224 | 23% | 0.225 | C | C | . | . | trans | -131.2 | 80.1 | -178.2 | -60.8 | -62.8 | -32 | 0 | 0 | 111.3 | Q798 V802 L834 E840 L841 | Q798-Q838 HydrophobicContact CB-CG 4.16Å; V802-Q838 HydrophobicContact CG2-CB 4.19Å; V802-Q838 HydrophobicContact CG2-CG 4.07Å; L834-Q838 WeakPolarHBondContact O-CA 3.41Å; L834-Q838 WeakPolarHBondContact O-CB 3.27Å; L834-Q838 PolarHBondContact O-N 3.47Å; Q838-E840 PolarHBondContact O-N 3.47Å; Q838-L841 HydrophobicContact CB-CD1 3.86Å; Q838-L841 HydrophobicContact CB-CG 4.05Å; Q838-L841 WeakPolarHBondContact O-CB 3.41Å; Q838-L841 PolarHBondContact O-N 3.35Å | ||
| 839 | P | 85 | Confident | 86.7 | Confident | 68 Ų | 68 | 39.3 Ų | 39.3 | 44% | 0.442 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -59.2 | -22.5 | -179.2 | -24.8 | 34.7 | 0 | 0 | 0 | 114.3 | L841 C842 P843 A881 | P839-L841 PolarHBondContact O-N 3.39Å; P839-L841 VanDerWaalsContact O-N 3.17Å; P839-C842 WeakPolarHBondContact O-CB 3.45Å; P839-C842 PolarHBondContact O-N 2.99Å; P839-P843 WeakPolarHBondContact O-CD 3.24Å; P839-A881 HydrophobicContact CB-CB 4.16Å |
| 840 | E | 85.3 | Confident | 86.4 | Confident | 135 Ų | 135 | 44.8 Ų | 44.8 | 63% | 0.631 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -62.6 | -17.1 | 176 | -58.9 | -179 | -179.1 | 0 | 0 | 113.5 | Q838 P843 | Q838-E840 PolarHBondContact O-N 3.47Å; E840-P843 WeakPolarHBondContact O-CG 3.4Å |
| 841 | L | 84.9 | Confident | 86.1 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -80.1 | -32.3 | 176.7 | -67.3 | 177.3 | 0 | 0 | 0 | 113 | F801 V802 L834 Q838 P839 R844 I845 | F801-L841 HydrophobicContact CB-CD1 4.35Å; V802-L841 HydrophobicContact CB-CD2 4.47Å; V802-L841 HydrophobicContact CG2-CD1 4.35Å; V802-L841 HydrophobicContact CG2-CD2 3.97Å; V802-L841 HydrophobicContact CG2-CG 4.12Å; L834-L841 HydrophobicContact CB-CD1 4.03Å; L834-L841 HydrophobicContact CD2-CD1 4.21Å; Q838-L841 HydrophobicContact CB-CD1 3.86Å; Q838-L841 HydrophobicContact CB-CG 4.05Å; Q838-L841 WeakPolarHBondContact O-CB 3.41Å; Q838-L841 PolarHBondContact O-N 3.35Å; P839-L841 PolarHBondContact O-N 3.39Å; P839-L841 VanDerWaalsContact O-N 3.17Å; L841-R844 WeakPolarHBondContact O-CB 3.41Å; L841-R844 PolarHBondContact O-N 3.36Å; L841-I845 PolarHBondContact O-N 2.76Å |
| 842 | C | 85.1 | Confident | 85.9 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -50.5 | -49.4 | -178.8 | -63.1 | 0 | 0 | 0 | 0 | 114 | P839 R844 I845 M878 A881 L885 | P839-C842 WeakPolarHBondContact O-CB 3.45Å; P839-C842 PolarHBondContact O-N 2.99Å; C842-R844 PolarHBondContact O-N 3.26Å; C842-R844 VanDerWaalsContact O-N 3.14Å; C842-I845 PolarHBondContact O-N 2.67Å; C842-M878 HydrophobicContact CB-CG 4.26Å; C842-A881 HydrophobicContact CB-CB 3.51Å; C842-L885 HydrophobicContact CB-CD1 3.98Å |
| 843 | P | 84.6 | Confident | 85.7 | Confident | 60 Ų | 60 | 52.4 Ų | 52.4 | 39% | 0.39 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -64.2 | -17.9 | 178.2 | 23.8 | -35.4 | 0 | 0 | 0 | 114 | P839 E840 E882 | P839-P843 WeakPolarHBondContact O-CD 3.24Å; E840-P843 WeakPolarHBondContact O-CG 3.4Å; P843-E882 WeakPolarHBondContact CB-OE2 3.4Å |
| 844 | R | 84.6 | Confident | 85.6 | Confident | 94 Ų | 94 | 55.3 Ų | 55.3 | 36% | 0.355 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -84.7 | -21.6 | -178.8 | -52.6 | -180 | 85.6 | 175.6 | 6.5 | 112.1 | V802 L809 L841 C842 G847 T848 | V802-R844 PolarHBondContact O-NH1 2.91Å; L809-R844 HydrophobicContact CD2-CB 3.93Å; L841-R844 WeakPolarHBondContact O-CB 3.41Å; L841-R844 PolarHBondContact O-N 3.36Å; C842-R844 PolarHBondContact O-N 3.26Å; C842-R844 VanDerWaalsContact O-N 3.14Å; R844-G847 PolarHBondContact O-N 2.75Å; R844-G847 VanDerWaalsContact O-N 3.1Å; R844-T848 WeakPolarHBondContact O-CG2 3.44Å; R844-T848 PolarHBondContact O-N 3.36Å |
| 845 | I | 85.3 | Confident | 85.4 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -57.3 | -50 | -176 | -65.4 | 171.9 | 0 | 0 | 0 | 112 | L809 V813 L831 T835 L841 C842 G847 T848 W852 F856 M878 | L809-I845 HydrophobicContact CD1-CG1 4.34Å; L809-I845 HydrophobicContact CD2-CG1 4.07Å; L809-I845 HydrophobicContact CG-CG1 4.45Å; V813-I845 HydrophobicContact CG2-CG2 4.08Å; L831-I845 HydrophobicContact CD1-CD1 4.22Å; T835-I845 HydrophobicContact CG2-CD1 3.92Å; L841-I845 PolarHBondContact O-N 2.76Å; C842-I845 PolarHBondContact O-N 2.67Å; I845-G847 PolarHBondContact O-N 3.42Å; I845-T848 WeakPolarHBondContact O-CB 3.35Å; I845-T848 PolarHBondContact O-N 3.34Å; I845-T848 PolarHBondContact O-OG1 3.4Å; I845-W852 HydrophobicContact CG2-CB 4.48Å; I845-W852 HydrophobicContact CG2-CE3 4.5Å; I845-F856 HydrophobicContact CG2-CE2 3.75Å; I845-F856 HydrophobicContact CG2-CZ 3.75Å; I845-M878 HydrophobicContact CB-CE 4.12Å; I845-M878 HydrophobicContact CD1-CE 4.11Å; I845-M878 HydrophobicContact CD1-CG 4.16Å; I845-M878 HydrophobicContact CD1-SD 3.83Å; I845-M878 HydrophobicContact CG2-CE 4.1Å |
| 846 | P | 83.8 | Confident | 85.3 | Confident | 42 Ų | 42 | 56.2 Ų | 56.2 | 27% | 0.273 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -28 | 178.1 | -23.3 | 34.4 | 0 | 0 | 0 | 113.8 | T848 W852 L885 | P846-T848 VanDerWaalsContact C-N 3.27Å; P846-T848 PolarHBondContact O-N 2.79Å; P846-W852 HydrophobicContact CB-CD2 4.31Å; P846-W852 HydrophobicContact CB-CZ2 4.08Å; P846-W852 HydrophobicContact CG-CD2 4.35Å; P846-W852 HydrophobicContact CG-CH2 4.33Å; P846-W852 HydrophobicContact CG-CZ2 3.95Å; P846-L885 HydrophobicContact CG-CD2 3.39Å |
| 847 | G | 79.6 | Confident | 85.2 | Confident | 74 Ų | 74 | 55 Ų | 55 | 76% | 0.763 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -8.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | R844 I845 | R844-G847 PolarHBondContact O-N 2.75Å; R844-G847 VanDerWaalsContact O-N 3.1Å; I845-G847 PolarHBondContact O-N 3.42Å |
| 848 | T | 81.2 | Confident | 85.2 | Confident | 27 Ų | 27 | 51 Ų | 51 | 17% | 0.166 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -38.2 | -178.1 | 61.5 | 0 | 0 | 0 | 0 | 113.7 | L809 K810 R844 I845 P846 | L809-T848 HydrophobicContact CB-CG2 4.32Å; L809-T848 HydrophobicContact CD2-CG2 4Å; L809-T848 HydrophobicContact CG-CG2 4.06Å; K810-T848 HydrophobicContact CB-CG2 4.22Å; K810-T848 WeakPolarHBondContact CD-O 3.43Å; K810-T848 WeakPolarHBondContact CE-O 3.25Å; R844-T848 WeakPolarHBondContact O-CG2 3.44Å; R844-T848 PolarHBondContact O-N 3.36Å; I845-T848 WeakPolarHBondContact O-CB 3.35Å; I845-T848 PolarHBondContact O-N 3.34Å; I845-T848 PolarHBondContact O-OG1 3.4Å; P846-T848 VanDerWaalsContact C-N 3.27Å; P846-T848 PolarHBondContact O-N 2.79Å |
| 849 | T | 81.8 | Confident | 85.2 | Confident | 21 Ų | 21 | 48.8 Ų | 48.8 | 13% | 0.129 | 28% | 0.278 | C | S | . | . | trans | -154.3 | 143 | -174.1 | 25.4 | 0 | 0 | 0 | 0 | 110.9 | K810 L814 H851 W852 | K810-T849 HydrophobicContact CG-CG2 4.2Å; L814-T849 HydrophobicContact CD1-CG2 4.49Å; L814-T849 HydrophobicContact CD2-CG2 3.7Å; L814-T849 HydrophobicContact CG-CG2 4.07Å; T849-H851 VanDerWaalsContact C-N 3.27Å; T849-H851 PolarHBondContact O-N 3.48Å; T849-W852 VanDerWaalsContact O-CD1 3.22Å | ||
| 850 | T | 83.6 | Confident | 85.2 | Confident | 122 Ų | 122 | 45.6 Ų | 45.6 | 75% | 0.748 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -29.8 | 175.8 | 47.3 | 0 | 0 | 0 | 0 | 113.1 | ||
| 851 | H | 86.6 | Confident | 85.2 | Confident | 100 Ų | 100 | 44.4 Ų | 44.4 | 46% | 0.463 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 12.1 | -175.4 | -59.5 | -75.4 | 0 | 0 | 0 | 114.7 | T849 L853 E854 I855 | T849-H851 VanDerWaalsContact C-N 3.27Å; T849-H851 PolarHBondContact O-N 3.48Å; H851-L853 PolarHBondContact O-N 2.94Å; H851-L853 VanDerWaalsContact O-N 3.13Å; H851-E854 IonicContact CE1-OE2 3.21Å; H851-E854 IonicContact CG-OE2 3.92Å; H851-E854 IonicContact ND1-OE1 3.58Å; H851-E854 IonicContact ND1-OE2 2.69Å; H851-E854 PolarHBondContact ND1-OE2 3.07Å; H851-E854 PolarHBondContact O-N 3.44Å; H851-I855 HydrophobicContact CB-CD1 4.46Å; H851-I855 WeakPolarHBondContact O-CG1 3.46Å; H851-I855 PolarHBondContact O-N 3.34Å; H851-I855 VanDerWaalsContact O-N 3.11Å |
| 852 | W | 87.4 | Confident | 85.3 | Confident | 28 Ų | 28 | 44.9 Ų | 44.9 | 11% | 0.106 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57 | -33.7 | -174.5 | 71.8 | -84.9 | 0 | 0 | 0 | 113.3 | V813 I845 P846 T849 F856 M878 L889 | V813-W852 HydrophobicContact CG1-CB 4.34Å; I845-W852 HydrophobicContact CG2-CB 4.48Å; I845-W852 HydrophobicContact CG2-CE3 4.5Å; P846-W852 HydrophobicContact CB-CD2 4.31Å; P846-W852 HydrophobicContact CB-CZ2 4.08Å; P846-W852 HydrophobicContact CG-CD2 4.35Å; P846-W852 HydrophobicContact CG-CH2 4.33Å; P846-W852 HydrophobicContact CG-CZ2 3.95Å; T849-W852 VanDerWaalsContact O-CD1 3.22Å; W852-F856 AromaticContact CE3-CD2 3.71Å; W852-F856 HydrophobicContact CE3-CD2 3.71Å; W852-F856 AromaticContact CE3-CE2 3.75Å; W852-F856 HydrophobicContact CE3-CE2 3.75Å; W852-F856 HydrophobicContact CZ3-CD2 4.07Å; W852-F856 HydrophobicContact CZ3-CE2 4.27Å; W852-F856 WeakPolarHBondContact O-CG 3.08Å; W852-F856 PolarHBondContact O-N 3.17Å; W852-M878 HydrophobicContact CE3-CE 4.29Å; W852-M878 HydrophobicContact CZ3-CE 3.84Å; W852-L889 HydrophobicContact CH2-CD2 4.25Å; W852-L889 HydrophobicContact CH2-CG 4.26Å; W852-L889 HydrophobicContact CZ3-CD2 3.95Å; W852-L889 HydrophobicContact CZ3-CG 4.32Å |
| 853 | L | 86.4 | Confident | 85.2 | Confident | 45 Ų | 45 | 53.7 Ų | 53.7 | 24% | 0.236 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -72.5 | -45 | -178.2 | -166.1 | 120.3 | 0 | 0 | 0 | 111.8 | H851 I855 F856 Q857 | H851-L853 PolarHBondContact O-N 2.94Å; H851-L853 VanDerWaalsContact O-N 3.13Å; L853-I855 VanDerWaalsContact C-N 3.31Å; L853-I855 PolarHBondContact O-N 3.2Å; L853-F856 PolarHBondContact O-N 2.93Å; L853-Q857 VanDerWaalsContact CD2-NE2 3.29Å; L853-Q857 WeakPolarHBondContact O-CB 3.37Å; L853-Q857 VanDerWaalsContact O-CG 3.28Å; L853-Q857 WeakPolarHBondContact O-CG 3.34Å; L853-Q857 PolarHBondContact O-N 2.97Å |
| 854 | E | 87.4 | Confident | 85.1 | Confident | 116 Ų | 116 | 53.1 Ų | 53.1 | 54% | 0.542 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.2 | -41.9 | 175.1 | -66.1 | 169.8 | -178.7 | 0 | 0 | 111 | H851 F856 Q857 A858 | H851-E854 IonicContact CE1-OE2 3.21Å; H851-E854 IonicContact CG-OE2 3.92Å; H851-E854 IonicContact ND1-OE1 3.58Å; H851-E854 IonicContact ND1-OE2 2.69Å; H851-E854 PolarHBondContact ND1-OE2 3.07Å; H851-E854 PolarHBondContact O-N 3.44Å; E854-F856 PolarHBondContact O-N 3.39Å; E854-Q857 PolarHBondContact O-N 3.44Å; E854-A858 WeakPolarHBondContact O-CB 3.48Å; E854-A858 PolarHBondContact O-N 3.35Å |
| 855 | I | 87.9 | Confident | 85.1 | Confident | 18 Ų | 18 | 51.6 Ų | 51.6 | 9% | 0.092 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 178.6 | -66.9 | 167.7 | 0 | 0 | 0 | 111.1 | V813 C816 H851 L853 A858 L859 | V813-I855 HydrophobicContact CG1-CD1 4.18Å; C816-I855 HydrophobicContact CB-CG2 3.57Å; H851-I855 HydrophobicContact CB-CD1 4.46Å; H851-I855 WeakPolarHBondContact O-CG1 3.46Å; H851-I855 PolarHBondContact O-N 3.34Å; H851-I855 VanDerWaalsContact O-N 3.11Å; L853-I855 VanDerWaalsContact C-N 3.31Å; L853-I855 PolarHBondContact O-N 3.2Å; I855-A858 PolarHBondContact O-N 2.81Å; I855-L859 PolarHBondContact O-N 2.99Å |
| 856 | F | 88.1 | Confident | 85.1 | Confident | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.018 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -73 | -35.2 | 179.7 | -65.6 | -19.1 | 0 | 0 | 0 | 112.8 | L831 I845 W852 L853 E854 A858 L859 L860 I874 M878 | L831-F856 HydrophobicContact CD2-CE1 3.7Å; L831-F856 HydrophobicContact CD2-CZ 3.76Å; I845-F856 HydrophobicContact CG2-CE2 3.75Å; I845-F856 HydrophobicContact CG2-CZ 3.75Å; W852-F856 AromaticContact CE3-CD2 3.71Å; W852-F856 HydrophobicContact CE3-CD2 3.71Å; W852-F856 AromaticContact CE3-CE2 3.75Å; W852-F856 HydrophobicContact CE3-CE2 3.75Å; W852-F856 HydrophobicContact CZ3-CD2 4.07Å; W852-F856 HydrophobicContact CZ3-CE2 4.27Å; W852-F856 WeakPolarHBondContact O-CG 3.08Å; W852-F856 PolarHBondContact O-N 3.17Å; L853-F856 PolarHBondContact O-N 2.93Å; E854-F856 PolarHBondContact O-N 3.39Å; F856-A858 VanDerWaalsContact C-N 3.3Å; F856-A858 PolarHBondContact O-N 3.4Å; F856-L859 HydrophobicContact CD1-CD1 4Å; F856-L859 WeakPolarHBondContact O-CB 3.21Å; F856-L859 PolarHBondContact O-N 3.17Å; F856-L860 WeakPolarHBondContact O-CG 3.37Å; F856-L860 PolarHBondContact O-N 3.3Å; F856-I874 HydrophobicContact CE1-CG2 4.38Å; F856-I874 HydrophobicContact CE2-CG2 4.41Å; F856-I874 HydrophobicContact CZ-CG2 4.16Å; F856-M878 HydrophobicContact CD2-SD 4.11Å; F856-M878 HydrophobicContact CE2-CE 4.02Å; F856-M878 HydrophobicContact CE2-SD 3.46Å; F856-M878 WeakPolarHBondContact CE2-SD 3.15Å; F856-M878 HydrophobicContact CZ-SD 4.24Å |
| 857 | Q | 86.9 | Confident | 85.2 | Confident | 26 Ų | 26 | 53.9 Ų | 53.9 | 12% | 0.121 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.8 | -42.7 | 170.1 | -72.4 | 169.2 | -17.4 | 0 | 0 | 111.1 | L853 E854 L859 L860 L861 S892 I897 | L853-Q857 VanDerWaalsContact CD2-NE2 3.29Å; L853-Q857 WeakPolarHBondContact O-CB 3.37Å; L853-Q857 VanDerWaalsContact O-CG 3.28Å; L853-Q857 WeakPolarHBondContact O-CG 3.34Å; L853-Q857 PolarHBondContact O-N 2.97Å; E854-Q857 PolarHBondContact O-N 3.44Å; Q857-L859 VanDerWaalsContact C-N 3.31Å; Q857-L859 PolarHBondContact O-N 2.95Å; Q857-L860 PolarHBondContact O-N 2.97Å; Q857-L860 VanDerWaalsContact O-N 3.16Å; Q857-L861 WeakPolarHBondContact O-CB 3.23Å; Q857-L861 PolarHBondContact O-N 3.42Å; Q857-S892 PolarHBondContact NE2-OG 2.96Å; Q857-I897 HydrophobicContact CB-CD1 4.41Å; Q857-I897 HydrophobicContact CG-CD1 4.43Å |
| 858 | A | 86.7 | Confident | 85.6 | Confident | 43 Ų | 43 | 53.4 Ų | 53.4 | 36% | 0.355 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.5 | -32.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | E854 I855 F856 S862 | E854-A858 WeakPolarHBondContact O-CB 3.48Å; E854-A858 PolarHBondContact O-N 3.35Å; I855-A858 PolarHBondContact O-N 2.81Å; F856-A858 VanDerWaalsContact C-N 3.3Å; F856-A858 PolarHBondContact O-N 3.4Å; A858-S862 PolarHBondContact O-N 3.49Å |
| 859 | L | 86.3 | Confident | 86 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.6 | -42.9 | 171.3 | -71.3 | 179.5 | 0 | 0 | 0 | 112 | C816 A828 I855 F856 Q857 L861 S862 L867 I874 | C816-L859 HydrophobicContact CB-CD1 3.98Å; C816-L859 HydrophobicContact CB-CD2 4.39Å; C816-L859 HydrophobicContact CB-CG 4.39Å; A828-L859 HydrophobicContact CB-CD1 4.31Å; A828-L859 HydrophobicContact CB-CD2 4.37Å; I855-L859 PolarHBondContact O-N 2.99Å; F856-L859 HydrophobicContact CD1-CD1 4Å; F856-L859 WeakPolarHBondContact O-CB 3.21Å; F856-L859 PolarHBondContact O-N 3.17Å; Q857-L859 VanDerWaalsContact C-N 3.31Å; Q857-L859 PolarHBondContact O-N 2.95Å; L859-L861 VanDerWaalsContact C-N 3.31Å; L859-L861 PolarHBondContact O-N 3.44Å; L859-S862 VanDerWaalsContact O-CB 3.26Å; L859-S862 WeakPolarHBondContact O-CB 3.43Å; L859-S862 PolarHBondContact O-N 2.98Å; L859-L867 HydrophobicContact CD2-CD2 4.39Å; L859-I874 HydrophobicContact CD1-CD1 4.26Å |
| 860 | L | 85.4 | Confident | 86.4 | Confident | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.6 | -33 | 179.5 | -66 | 173.4 | 0 | 0 | 0 | 112.5 | F856 Q857 S862 R868 V872 V875 A894 I897 L898 | F856-L860 WeakPolarHBondContact O-CG 3.37Å; F856-L860 PolarHBondContact O-N 3.3Å; Q857-L860 PolarHBondContact O-N 2.97Å; Q857-L860 VanDerWaalsContact O-N 3.16Å; L860-S862 VanDerWaalsContact C-N 3.34Å; L860-R868 WeakPolarHBondContact O-CG 3.39Å; L860-V872 HydrophobicContact CD2-CB 4.2Å; L860-V872 HydrophobicContact CD2-CG2 3.45Å; L860-V872 VanDerWaalsContact CD2-CG2 3.45Å; L860-V875 HydrophobicContact CD1-CG2 4.34Å; L860-V875 HydrophobicContact CD2-CG2 4.4Å; L860-A894 HydrophobicContact CD1-CB 4.08Å; L860-I897 HydrophobicContact CB-CG2 3.69Å; L860-I897 HydrophobicContact CD1-CG2 4.49Å; L860-L898 HydrophobicContact CD2-CD2 4.26Å |
| 861 | L | 86.8 | Confident | 86.6 | Confident | 109 Ų | 109 | 52.1 Ų | 52.1 | 57% | 0.571 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -2.9 | 177.1 | -71.9 | 171.7 | 0 | 0 | 0 | 113.7 | Q857 L859 E863 I897 | Q857-L861 WeakPolarHBondContact O-CB 3.23Å; Q857-L861 PolarHBondContact O-N 3.42Å; L859-L861 VanDerWaalsContact C-N 3.31Å; L859-L861 PolarHBondContact O-N 3.44Å; L861-E863 PolarHBondContact O-N 3.5Å; L861-I897 HydrophobicContact CD1-CD1 3.91Å; L861-I897 HydrophobicContact CD2-CD1 4.1Å; L861-I897 HydrophobicContact CD2-CG1 3.92Å; L861-I897 HydrophobicContact CD2-CG2 4.08Å; L861-I897 HydrophobicContact CG-CD1 3.79Å; L861-I897 HydrophobicContact CG-CG1 4.19Å; L861-I897 HydrophobicContact CG-CG2 4.37Å |
| 862 | S | 85.9 | Confident | 86.7 | Confident | 11 Ų | 11 | 47.4 Ų | 47.4 | 8% | 0.077 | 24% | 0.239 | C | C | . | . | trans | -58 | 134.5 | -177.3 | -175 | 0 | 0 | 0 | 0 | 111.5 | A858 L859 L860 I864 R868 | A858-S862 PolarHBondContact O-N 3.49Å; L859-S862 VanDerWaalsContact O-CB 3.26Å; L859-S862 WeakPolarHBondContact O-CB 3.43Å; L859-S862 PolarHBondContact O-N 2.98Å; L860-S862 VanDerWaalsContact C-N 3.34Å; S862-I864 PolarHBondContact O-N 3.05Å; S862-I864 PolarHBondContact OG-N 3.29Å; S862-R868 VanDerWaalsContact O-CZ 3.26Å; S862-R868 PolarHBondContact O-NE 3.38Å; S862-R868 PolarHBondContact O-NH2 3.49Å | ||
| 863 | E | 82.3 | Confident | 86.9 | Confident | 186 Ų | 186 | 47.5 Ų | 47.5 | 87% | 0.869 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -63.5 | -22.6 | 174.7 | -62.5 | -172.9 | 171.5 | 0 | 0 | 112.3 | L861 R868 | L861-E863 PolarHBondContact O-N 3.5Å; E863-R868 PolarHBondContact O-NH2 3.45Å |
| 864 | I | 84.2 | Confident | 87.1 | Confident | 48 Ų | 48 | 45.3 Ų | 45.3 | 25% | 0.246 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -85.4 | 117 | -177.8 | -60.8 | 156.6 | 0 | 0 | 0 | 110.2 | E821 S862 D866 L867 R868 | E821-I864 HydrophobicContact CG-CD1 3.54Å; E821-I864 WeakPolarHBondContact OE1-CD1 3.41Å; S862-I864 PolarHBondContact O-N 3.05Å; S862-I864 PolarHBondContact OG-N 3.29Å; I864-D866 VanDerWaalsContact C-N 3.29Å; I864-D866 HydrophobicContact CG2-CB 4.24Å; I864-D866 PolarHBondContact O-N 2.75Å; I864-L867 HydrophobicContact CB-CB 4.28Å; I864-L867 HydrophobicContact CB-CD1 4.24Å; I864-L867 HydrophobicContact CB-CG 4.45Å; I864-L867 HydrophobicContact CD1-CD1 3.78Å; I864-L867 HydrophobicContact CG2-CB 4.4Å; I864-L867 HydrophobicContact CG2-CG 4.35Å; I864-L867 PolarHBondContact O-N 3.45Å; I864-R868 WeakPolarHBondContact O-CB 3.49Å; I864-R868 PolarHBondContact O-N 3.27Å |
| 865 | S | 83.8 | Confident | 87.2 | Confident | 62 Ų | 62 | 39.9 Ų | 39.9 | 43% | 0.434 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -54.5 | -40.1 | -178.6 | -167.6 | 0 | 0 | 0 | 0 | 113.6 | R868 H869 | S865-R868 PolarHBondContact O-N 3.19Å; S865-H869 WeakPolarHBondContact O-CB 3.29Å; S865-H869 PolarHBondContact O-N 2.99Å |
| 866 | D | 84.3 | Confident | 87.3 | Confident | 89 Ų | 89 | 40.3 Ų | 40.3 | 48% | 0.476 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65.6 | -42.6 | -179.6 | -72.7 | -11.4 | 0 | 0 | 0 | 112.9 | I864 R870 | I864-D866 VanDerWaalsContact C-N 3.29Å; I864-D866 HydrophobicContact CG2-CB 4.24Å; I864-D866 PolarHBondContact O-N 2.75Å; D866-R870 VanDerWaalsContact O-CG 3.27Å; D866-R870 WeakPolarHBondContact O-CG 3.5Å; D866-R870 PolarHBondContact O-N 2.97Å; D866-R870 VanDerWaalsContact O-N 3.08Å |
| 867 | L | 86.3 | Confident | 87.4 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68 | -43.1 | 177.8 | -81.1 | 176.3 | 0 | 0 | 0 | 110.5 | R824 K825 A828 L859 I864 H869 R870 G871 | R824-L867 HydrophobicContact CB-CD1 4.39Å; R824-L867 HydrophobicContact CB-CD2 4.11Å; K825-L867 HydrophobicContact CB-CD2 4.17Å; K825-L867 HydrophobicContact CG-CD1 4.25Å; K825-L867 HydrophobicContact CG-CD2 3.56Å; K825-L867 HydrophobicContact CG-CG 3.71Å; A828-L867 HydrophobicContact CB-CD2 4.33Å; L859-L867 HydrophobicContact CD2-CD2 4.39Å; I864-L867 HydrophobicContact CB-CB 4.28Å; I864-L867 HydrophobicContact CB-CD1 4.24Å; I864-L867 HydrophobicContact CB-CG 4.45Å; I864-L867 HydrophobicContact CD1-CD1 3.78Å; I864-L867 HydrophobicContact CG2-CB 4.4Å; I864-L867 HydrophobicContact CG2-CG 4.35Å; I864-L867 PolarHBondContact O-N 3.45Å; L867-H869 PolarHBondContact O-N 2.97Å; L867-R870 PolarHBondContact O-N 2.88Å; L867-G871 PolarHBondContact O-N 2.96Å |
| 868 | R | 88.9 | Confident | 87.5 | Confident | 65 Ų | 65 | 39.9 Ų | 39.9 | 25% | 0.245 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.6 | -48.8 | 175.4 | -166.9 | -177.2 | -55 | 173.2 | 5.3 | 111.3 | L860 S862 E863 I864 S865 R870 G871 V872 L901 V912 | L860-R868 WeakPolarHBondContact O-CG 3.39Å; S862-R868 VanDerWaalsContact O-CZ 3.26Å; S862-R868 PolarHBondContact O-NE 3.38Å; S862-R868 PolarHBondContact O-NH2 3.49Å; E863-R868 PolarHBondContact O-NH2 3.45Å; I864-R868 WeakPolarHBondContact O-CB 3.49Å; I864-R868 PolarHBondContact O-N 3.27Å; S865-R868 PolarHBondContact O-N 3.19Å; R868-R870 PolarHBondContact O-N 3.44Å; R868-G871 PolarHBondContact O-N 3.44Å; R868-V872 WeakPolarHBondContact O-CG2 3.4Å; R868-V872 PolarHBondContact O-N 3.19Å; R868-L901 HydrophobicContact CG-CD1 4.26Å; R868-L901 HydrophobicContact CG-CD2 4.48Å; R868-V912 HydrophobicContact CG-CG1 4.1Å |
| 869 | H | 88.6 | Confident | 87.5 | Confident | 65 Ų | 65 | 37.9 Ų | 37.9 | 30% | 0.301 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -57.3 | -49 | 176.2 | -178.8 | -95.8 | 0 | 0 | 0 | 112 | S865 L867 G871 V872 V873 V912 | S865-H869 WeakPolarHBondContact O-CB 3.29Å; S865-H869 PolarHBondContact O-N 2.99Å; L867-H869 PolarHBondContact O-N 2.97Å; H869-G871 VanDerWaalsContact C-N 3.32Å; H869-G871 PolarHBondContact O-N 3.2Å; H869-V872 PolarHBondContact O-N 2.89Å; H869-V873 WeakPolarHBondContact O-CG2 3.32Å; H869-V873 PolarHBondContact O-N 3.49Å; H869-V912 HydrophobicContact CB-CG2 3.79Å |
| 870 | R | 89.8 | Confident | 87.5 | Confident | 75 Ų | 75 | 42.6 Ų | 42.6 | 28% | 0.283 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.6 | -41.7 | 177.8 | -68.9 | 168.6 | -165.5 | -166.2 | 4.5 | 111.7 | K825 A828 D866 L867 R868 V873 I874 | K825-R870 PolarHBondContact O-NH1 3.25Å; A828-R870 HydrophobicContact CB-CB 4.1Å; D866-R870 VanDerWaalsContact O-CG 3.27Å; D866-R870 WeakPolarHBondContact O-CG 3.5Å; D866-R870 PolarHBondContact O-N 2.97Å; D866-R870 VanDerWaalsContact O-N 3.08Å; L867-R870 PolarHBondContact O-N 2.88Å; R868-R870 PolarHBondContact O-N 3.44Å; R870-V873 PolarHBondContact O-N 3.38Å; R870-I874 WeakPolarHBondContact O-CD1 3.41Å; R870-I874 VanDerWaalsContact O-CG1 3.27Å; R870-I874 WeakPolarHBondContact O-CG1 3.46Å; R870-I874 PolarHBondContact O-N 3.21Å |
| 871 | G | 88.7 | Confident | 87.6 | Confident | 3 Ų | 3 | 44.4 Ų | 44.4 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.5 | -48.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L867 R868 H869 V873 I874 V875 | L867-G871 PolarHBondContact O-N 2.96Å; R868-G871 PolarHBondContact O-N 3.44Å; H869-G871 VanDerWaalsContact C-N 3.32Å; H869-G871 PolarHBondContact O-N 3.2Å; G871-V873 VanDerWaalsContact C-N 3.32Å; G871-V873 PolarHBondContact O-N 3.31Å; G871-I874 PolarHBondContact O-N 3.46Å; G871-V875 WeakPolarHBondContact O-CG2 3.21Å; G871-V875 PolarHBondContact O-N 3.08Å |
| 872 | V | 89.2 | Confident | 87.5 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.4 | -38.8 | 178.2 | -175.6 | 0 | 0 | 0 | 0 | 111 | L860 R868 H869 V875 Q876 L898 L901 V912 V915 A916 | L860-V872 HydrophobicContact CD2-CB 4.2Å; L860-V872 HydrophobicContact CD2-CG2 3.45Å; L860-V872 VanDerWaalsContact CD2-CG2 3.45Å; R868-V872 WeakPolarHBondContact O-CG2 3.4Å; R868-V872 PolarHBondContact O-N 3.19Å; H869-V872 PolarHBondContact O-N 2.89Å; V872-V875 PolarHBondContact O-N 3.49Å; V872-Q876 WeakPolarHBondContact O-CB 3.32Å; V872-Q876 PolarHBondContact O-N 3.24Å; V872-L898 HydrophobicContact CG1-CD2 4.05Å; V872-L898 HydrophobicContact CG2-CD2 4.37Å; V872-L901 HydrophobicContact CG2-CD1 3.99Å; V872-V912 HydrophobicContact CG2-CG1 3.99Å; V872-V915 HydrophobicContact CB-CG1 4.08Å; V872-V915 HydrophobicContact CG1-CB 3.91Å; V872-V915 HydrophobicContact CG1-CG1 3.41Å; V872-V915 VanDerWaalsContact CG1-CG1 3.41Å; V872-A916 HydrophobicContact CG1-CB 4.1Å |
| 873 | V | 90.8 | Very high | 87.4 | Confident | 30 Ų | 30 | 47.5 Ų | 47.5 | 18% | 0.182 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.2 | -43.2 | 176.1 | 171.6 | 0 | 0 | 0 | 0 | 111.9 | A832 H869 R870 G871 V875 Q876 N877 V915 | A832-V873 HydrophobicContact CB-CG1 4.22Å; H869-V873 WeakPolarHBondContact O-CG2 3.32Å; H869-V873 PolarHBondContact O-N 3.49Å; R870-V873 PolarHBondContact O-N 3.38Å; G871-V873 VanDerWaalsContact C-N 3.32Å; G871-V873 PolarHBondContact O-N 3.31Å; V873-V875 VanDerWaalsContact C-N 3.34Å; V873-V875 PolarHBondContact O-N 2.95Å; V873-Q876 WeakPolarHBondContact O-CB 3.47Å; V873-Q876 PolarHBondContact O-N 2.73Å; V873-N877 PolarHBondContact O-N 2.94Å; V873-N877 PolarHBondContact O-ND2 2.95Å; V873-N877 PolarHBondContact O-OD1 3.29Å; V873-V915 HydrophobicContact CG2-CG1 3.92Å |
| 874 | I | 90.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.1 | -49.5 | 175.4 | -67.4 | 157.5 | 0 | 0 | 0 | 109.9 | A828 L831 A832 F856 L859 R870 G871 Q876 N877 M878 | A828-I874 HydrophobicContact CB-CD1 4.3Å; L831-I874 HydrophobicContact CB-CD1 4.11Å; L831-I874 HydrophobicContact CB-CG1 4.42Å; L831-I874 HydrophobicContact CD2-CD1 4.07Å; L831-I874 HydrophobicContact CD2-CG2 4.14Å; L831-I874 HydrophobicContact CG-CD1 4.22Å; L831-I874 HydrophobicContact CG-CG1 4.3Å; L831-I874 HydrophobicContact CG-CG2 4.3Å; A832-I874 HydrophobicContact CB-CD1 4.44Å; A832-I874 HydrophobicContact CB-CG1 3.81Å; F856-I874 HydrophobicContact CE1-CG2 4.38Å; F856-I874 HydrophobicContact CE2-CG2 4.41Å; F856-I874 HydrophobicContact CZ-CG2 4.16Å; L859-I874 HydrophobicContact CD1-CD1 4.26Å; R870-I874 WeakPolarHBondContact O-CD1 3.41Å; R870-I874 VanDerWaalsContact O-CG1 3.27Å; R870-I874 WeakPolarHBondContact O-CG1 3.46Å; R870-I874 PolarHBondContact O-N 3.21Å; G871-I874 PolarHBondContact O-N 3.46Å; I874-Q876 VanDerWaalsContact C-N 3.32Å; I874-Q876 PolarHBondContact O-N 2.94Å; I874-N877 PolarHBondContact O-N 3.46Å; I874-M878 HydrophobicContact CG2-CG 4.41Å; I874-M878 HydrophobicContact CG2-SD 3.98Å; I874-M878 VanDerWaalsContact O-CG 3.32Å; I874-M878 WeakPolarHBondContact O-CG 3.19Å; I874-M878 PolarHBondContact O-N 2.89Å |
| 875 | V | 89.8 | Confident | 87.4 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.1 | -43.5 | 178.8 | 169.7 | 0 | 0 | 0 | 0 | 110.8 | L860 G871 V872 V873 N877 M878 M879 L889 L898 | L860-V875 HydrophobicContact CD1-CG2 4.34Å; L860-V875 HydrophobicContact CD2-CG2 4.4Å; G871-V875 WeakPolarHBondContact O-CG2 3.21Å; G871-V875 PolarHBondContact O-N 3.08Å; V872-V875 PolarHBondContact O-N 3.49Å; V873-V875 VanDerWaalsContact C-N 3.34Å; V873-V875 PolarHBondContact O-N 2.95Å; V875-N877 PolarHBondContact O-N 3.45Å; V875-M878 PolarHBondContact O-N 2.73Å; V875-M879 HydrophobicContact CG1-CG 4.46Å; V875-M879 HydrophobicContact CG1-SD 4.04Å; V875-M879 VanDerWaalsContact O-CG 3.25Å; V875-M879 WeakPolarHBondContact O-CG 3.31Å; V875-M879 PolarHBondContact O-N 2.91Å; V875-L889 HydrophobicContact CG1-CD1 4.22Å; V875-L898 HydrophobicContact CG1-CD1 4.21Å |
| 876 | Q | 90.6 | Very high | 87.4 | Confident | 28 Ų | 28 | 35.6 Ų | 35.6 | 13% | 0.131 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.1 | -49.5 | 175.8 | -170.1 | -173.3 | -18.3 | 0 | 0 | 111.6 | V872 V873 I874 M878 M879 Q880 V915 C919 | V872-Q876 WeakPolarHBondContact O-CB 3.32Å; V872-Q876 PolarHBondContact O-N 3.24Å; V873-Q876 WeakPolarHBondContact O-CB 3.47Å; V873-Q876 PolarHBondContact O-N 2.73Å; I874-Q876 VanDerWaalsContact C-N 3.32Å; I874-Q876 PolarHBondContact O-N 2.94Å; Q876-M878 VanDerWaalsContact C-N 3.33Å; Q876-M878 PolarHBondContact O-N 3.33Å; Q876-M879 PolarHBondContact O-N 3.34Å; Q876-Q880 WeakPolarHBondContact O-CG 3.28Å; Q876-Q880 PolarHBondContact O-N 3.48Å; Q876-V915 HydrophobicContact CB-CG1 4.36Å; Q876-C919 VanDerWaalsContact CA-SG 3.56Å; Q876-C919 WeakPolarHBondContact CB-SG 3.24Å |
| 877 | N | 90.8 | Very high | 87.4 | Confident | 20 Ų | 20 | 34.9 Ų | 34.9 | 11% | 0.107 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.6 | -40.1 | -178.7 | -65.5 | -17.5 | 0 | 0 | 0 | 111.3 | A832 T835 A836 V873 I874 V875 Q880 A881 | A832-N877 PolarHBondContact O-ND2 2.91Å; T835-N877 PolarHBondContact OG1-ND2 3.08Å; T835-N877 VanDerWaalsContact OG1-ND2 3.1Å; A836-N877 PolarHBondContact N-ND2 3.28Å; V873-N877 PolarHBondContact O-N 2.94Å; V873-N877 PolarHBondContact O-ND2 2.95Å; V873-N877 PolarHBondContact O-OD1 3.29Å; I874-N877 PolarHBondContact O-N 3.46Å; V875-N877 PolarHBondContact O-N 3.45Å; N877-Q880 PolarHBondContact O-N 3.29Å; N877-A881 WeakPolarHBondContact O-CB 3.36Å; N877-A881 PolarHBondContact O-N 3.28Å |
| 878 | M | 87.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.6 | -44.1 | 175.8 | -72.1 | -179.2 | 70.2 | 0 | 0 | 112.1 | C842 I845 W852 F856 I874 V875 Q876 Q880 A881 E882 L885 L889 | C842-M878 HydrophobicContact CB-CG 4.26Å; I845-M878 HydrophobicContact CB-CE 4.12Å; I845-M878 HydrophobicContact CD1-CE 4.11Å; I845-M878 HydrophobicContact CD1-CG 4.16Å; I845-M878 HydrophobicContact CD1-SD 3.83Å; I845-M878 HydrophobicContact CG2-CE 4.1Å; W852-M878 HydrophobicContact CE3-CE 4.29Å; W852-M878 HydrophobicContact CZ3-CE 3.84Å; F856-M878 HydrophobicContact CD2-SD 4.11Å; F856-M878 HydrophobicContact CE2-CE 4.02Å; F856-M878 HydrophobicContact CE2-SD 3.46Å; F856-M878 WeakPolarHBondContact CE2-SD 3.15Å; F856-M878 HydrophobicContact CZ-SD 4.24Å; I874-M878 HydrophobicContact CG2-CG 4.41Å; I874-M878 HydrophobicContact CG2-SD 3.98Å; I874-M878 VanDerWaalsContact O-CG 3.32Å; I874-M878 WeakPolarHBondContact O-CG 3.19Å; I874-M878 PolarHBondContact O-N 2.89Å; V875-M878 PolarHBondContact O-N 2.73Å; Q876-M878 VanDerWaalsContact C-N 3.33Å; Q876-M878 PolarHBondContact O-N 3.33Å; M878-Q880 VanDerWaalsContact C-N 3.31Å; M878-Q880 PolarHBondContact O-N 2.97Å; M878-A881 PolarHBondContact O-N 3.29Å; M878-E882 PolarHBondContact O-N 3.45Å; M878-L885 HydrophobicContact CB-CD1 4.42Å; M878-L885 HydrophobicContact CE-CD1 4.26Å; M878-L885 HydrophobicContact CE-CD2 4.31Å; M878-L889 HydrophobicContact CB-CD1 4.35Å |
| 879 | M | 87.2 | Confident | 87.1 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.7 | -37.1 | 176.2 | -69.9 | 176.4 | 71.9 | 0 | 0 | 112.2 | V875 Q876 A881 A886 L889 M890 C919 A923 Y926 | V875-M879 HydrophobicContact CG1-CG 4.46Å; V875-M879 HydrophobicContact CG1-SD 4.04Å; V875-M879 VanDerWaalsContact O-CG 3.25Å; V875-M879 WeakPolarHBondContact O-CG 3.31Å; V875-M879 PolarHBondContact O-N 2.91Å; Q876-M879 PolarHBondContact O-N 3.34Å; M879-A881 VanDerWaalsContact C-N 3.34Å; M879-A886 HydrophobicContact CB-CB 4.13Å; M879-A886 HydrophobicContact CE-CB 4.27Å; M879-A886 HydrophobicContact CG-CB 4.02Å; M879-L889 HydrophobicContact CG-CD1 4.08Å; M879-M890 HydrophobicContact CE-CE 3.4Å; M879-M890 HydrophobicContact CE-CG 4.35Å; M879-M890 HydrophobicContact CE-SD 4.19Å; M879-M890 HydrophobicContact SD-CE 3.41Å; M879-M890 WeakPolarHBondContact SD-CE 3.44Å; M879-C919 HydrophobicContact CE-CB 4.43Å; M879-C919 WeakPolarHBondContact CE-O 3.16Å; M879-C919 HydrophobicContact SD-CB 3.8Å; M879-A923 HydrophobicContact CE-CB 3.79Å; M879-Y926 VanDerWaalsContact O-CE2 3.32Å; M879-Y926 WeakPolarHBondContact O-CE2 3.07Å |
| 880 | Q | 86.8 | Confident | 86.8 | Confident | 100 Ų | 100 | 31 Ų | 31 | 47% | 0.467 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -70.8 | -30.4 | 177.2 | -73.7 | -179.2 | -0.6 | 0 | 0 | 112.8 | Q876 N877 M878 K922 | Q876-Q880 WeakPolarHBondContact O-CG 3.28Å; Q876-Q880 PolarHBondContact O-N 3.48Å; N877-Q880 PolarHBondContact O-N 3.29Å; M878-Q880 VanDerWaalsContact C-N 3.31Å; M878-Q880 PolarHBondContact O-N 2.97Å; Q880-K922 HydrophobicContact CG-CD 4.47Å |
| 881 | A | 86.3 | Confident | 86.5 | Confident | 40 Ų | 40 | 35.4 Ų | 35.4 | 33% | 0.331 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -73.6 | -43.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | P839 C842 N877 M878 M879 | P839-A881 HydrophobicContact CB-CB 4.16Å; C842-A881 HydrophobicContact CB-CB 3.51Å; N877-A881 WeakPolarHBondContact O-CB 3.36Å; N877-A881 PolarHBondContact O-N 3.28Å; M878-A881 PolarHBondContact O-N 3.29Å; M879-A881 VanDerWaalsContact C-N 3.34Å |
| 882 | E | 85.3 | Confident | 86.3 | Confident | 88 Ų | 88 | 36.3 Ų | 36.3 | 41% | 0.411 | 20% | 0.197 | S | C | . | . | trans | -148.1 | 136.1 | -176.4 | -168.2 | 179.5 | -169 | 0 | 0 | 113.2 | P843 M878 G884 L885 A886 | P843-E882 WeakPolarHBondContact CB-OE2 3.4Å; M878-E882 PolarHBondContact O-N 3.45Å; E882-G884 PolarHBondContact O-N 3.24Å; E882-L885 HydrophobicContact CB-CD1 4.01Å; E882-L885 HydrophobicContact CB-CG 4.11Å; E882-L885 PolarHBondContact O-N 2.99Å; E882-A886 PolarHBondContact O-N 2.89Å | ||
| 883 | K | 84.3 | Confident | 86 | Confident | 97 Ų | 97 | 42.4 Ų | 42.4 | 42% | 0.422 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.1 | -39.2 | 178.8 | -170.4 | -177.1 | 178.7 | -169.1 | 0 | 113 | L885 A886 E887 Y926 | K883-L885 VanDerWaalsContact C-N 3.3Å; K883-L885 PolarHBondContact O-N 3.46Å; K883-A886 WeakPolarHBondContact O-CB 3.46Å; K883-A886 PolarHBondContact O-N 2.91Å; K883-A886 VanDerWaalsContact O-N 3.11Å; K883-E887 VanDerWaalsContact CE-OE1 3.25Å; K883-E887 WeakPolarHBondContact CE-OE1 3.31Å; K883-E887 IonicContact NZ-OE1 2.75Å; K883-E887 PolarHBondContact O-N 3.15Å; K883-Y926 HydrophobicContact CD-CD1 4.37Å; K883-Y926 WeakPolarHBondContact CE-O 3.38Å; K883-Y926 HydrophobicContact CG-CD1 4.21Å; K883-Y926 HydrophobicContact CG-CG 4.16Å |
| 884 | G | 82.9 | Confident | 85.6 | Confident | 36 Ų | 36 | 41 Ų | 41 | 37% | 0.371 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.9 | -33.5 | 180 | 0 | 0 | 0 | 0 | 0 | 113.4 | E882 E887 A888 | E882-G884 PolarHBondContact O-N 3.24Å; G884-E887 PolarHBondContact O-N 3.01Å; G884-A888 PolarHBondContact O-N 3.47Å; G884-A888 VanDerWaalsContact O-N 3.12Å |
| 885 | L | 83.1 | Confident | 85.3 | Confident | 10 Ų | 10 | 43.2 Ų | 43.2 | 5% | 0.052 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.4 | -39.3 | 172.4 | -64.3 | 175.1 | 0 | 0 | 0 | 111.6 | C842 P846 M878 E882 K883 E887 A888 L889 | C842-L885 HydrophobicContact CB-CD1 3.98Å; P846-L885 HydrophobicContact CG-CD2 3.39Å; M878-L885 HydrophobicContact CB-CD1 4.42Å; M878-L885 HydrophobicContact CE-CD1 4.26Å; M878-L885 HydrophobicContact CE-CD2 4.31Å; E882-L885 HydrophobicContact CB-CD1 4.01Å; E882-L885 HydrophobicContact CB-CG 4.11Å; E882-L885 PolarHBondContact O-N 2.99Å; K883-L885 VanDerWaalsContact C-N 3.3Å; K883-L885 PolarHBondContact O-N 3.46Å; L885-E887 VanDerWaalsContact C-N 3.33Å; L885-A888 PolarHBondContact O-N 3.38Å; L885-L889 WeakPolarHBondContact O-CB 3.32Å; L885-L889 WeakPolarHBondContact O-CD1 3.13Å; L885-L889 WeakPolarHBondContact O-CG 3.45Å; L885-L889 PolarHBondContact O-N 3.2Å |
| 886 | A | 83.8 | Confident | 85 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.2 | -39.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | M879 E882 K883 M890 Y926 I928 | M879-A886 HydrophobicContact CB-CB 4.13Å; M879-A886 HydrophobicContact CE-CB 4.27Å; M879-A886 HydrophobicContact CG-CB 4.02Å; E882-A886 PolarHBondContact O-N 2.89Å; K883-A886 WeakPolarHBondContact O-CB 3.46Å; K883-A886 PolarHBondContact O-N 2.91Å; K883-A886 VanDerWaalsContact O-N 3.11Å; A886-M890 WeakPolarHBondContact O-CB 3.46Å; A886-M890 WeakPolarHBondContact O-CG 3.14Å; A886-M890 PolarHBondContact O-N 2.89Å; A886-Y926 HydrophobicContact CB-CD2 4.16Å; A886-Y926 HydrophobicContact CB-CE2 4.43Å; A886-I928 HydrophobicContact CB-CD1 3.71Å |
| 887 | E | 84.6 | Confident | 84.6 | Confident | 74 Ų | 74 | 49.5 Ų | 49.5 | 35% | 0.346 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.8 | -52.5 | 174.3 | -71.7 | 170.2 | -179.2 | 0 | 0 | 110.8 | K883 G884 L885 L889 M890 E891 I928 | K883-E887 VanDerWaalsContact CE-OE1 3.25Å; K883-E887 WeakPolarHBondContact CE-OE1 3.31Å; K883-E887 IonicContact NZ-OE1 2.75Å; K883-E887 PolarHBondContact O-N 3.15Å; G884-E887 PolarHBondContact O-N 3.01Å; L885-E887 VanDerWaalsContact C-N 3.33Å; E887-L889 VanDerWaalsContact C-N 3.32Å; E887-L889 PolarHBondContact O-N 2.93Å; E887-M890 PolarHBondContact O-N 3.47Å; E887-E891 WeakPolarHBondContact O-CB 3.29Å; E887-E891 WeakPolarHBondContact O-CG 3.21Å; E887-E891 PolarHBondContact O-N 3.4Å; E887-I928 HydrophobicContact CG-CD1 3.76Å; E887-I928 HydrophobicContact CG-CG1 3.97Å |
| 888 | A | 83.4 | Confident | 84.2 | Confident | 36 Ų | 36 | 48.6 Ų | 48.6 | 30% | 0.298 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60 | -37 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | G884 L885 | G884-A888 PolarHBondContact O-N 3.47Å; G884-A888 VanDerWaalsContact O-N 3.12Å; L885-A888 PolarHBondContact O-N 3.38Å |
| 889 | L | 84.1 | Confident | 84 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -70.7 | -42.2 | 176.5 | -77.7 | 162.7 | 0 | 0 | 0 | 111.9 | W852 V875 M878 M879 L885 E887 S892 | W852-L889 HydrophobicContact CH2-CD2 4.25Å; W852-L889 HydrophobicContact CH2-CG 4.26Å; W852-L889 HydrophobicContact CZ3-CD2 3.95Å; W852-L889 HydrophobicContact CZ3-CG 4.32Å; V875-L889 HydrophobicContact CG1-CD1 4.22Å; M878-L889 HydrophobicContact CB-CD1 4.35Å; M879-L889 HydrophobicContact CG-CD1 4.08Å; L885-L889 WeakPolarHBondContact O-CB 3.32Å; L885-L889 WeakPolarHBondContact O-CD1 3.13Å; L885-L889 WeakPolarHBondContact O-CG 3.45Å; L885-L889 PolarHBondContact O-N 3.2Å; E887-L889 VanDerWaalsContact C-N 3.32Å; E887-L889 PolarHBondContact O-N 2.93Å; L889-S892 PolarHBondContact O-N 3.2Å; L889-S892 PolarHBondContact O-OG 2.97Å |
| 890 | M | 83.3 | Confident | 83.9 | Confident | 9 Ų | 9 | 55.7 Ų | 55.7 | 4% | 0.044 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -77.6 | -22.5 | -177.7 | -63.9 | -65.3 | 124.1 | 0 | 0 | 113.4 | M879 A886 E887 S892 L895 L898 A923 I928 I929 | M879-M890 HydrophobicContact CE-CE 3.4Å; M879-M890 HydrophobicContact CE-CG 4.35Å; M879-M890 HydrophobicContact CE-SD 4.19Å; M879-M890 HydrophobicContact SD-CE 3.41Å; M879-M890 WeakPolarHBondContact SD-CE 3.44Å; A886-M890 WeakPolarHBondContact O-CB 3.46Å; A886-M890 WeakPolarHBondContact O-CG 3.14Å; A886-M890 PolarHBondContact O-N 2.89Å; E887-M890 PolarHBondContact O-N 3.47Å; M890-S892 PolarHBondContact O-N 3.49Å; M890-L895 HydrophobicContact SD-CB 4.49Å; M890-L895 HydrophobicContact SD-CD1 4.06Å; M890-L898 HydrophobicContact CE-CD1 3.62Å; M890-A923 HydrophobicContact CG-CB 4Å; M890-A923 HydrophobicContact SD-CB 3.91Å; M890-I928 HydrophobicContact CB-CG2 3.8Å; M890-I928 HydrophobicContact CG-CG2 4.23Å; M890-I929 HydrophobicContact CB-CD1 4.4Å; M890-I929 HydrophobicContact CG-CD1 4.09Å; M890-I929 HydrophobicContact SD-CD1 3.57Å; M890-I929 VanDerWaalsContact SD-CD1 3.57Å |
| 891 | E | 83.9 | Confident | 83.6 | Confident | 167 Ų | 167 | 51.9 Ų | 51.9 | 78% | 0.78 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -9.5 | 169.7 | -74.4 | 179.3 | 177.6 | 0 | 0 | 113 | E887 | E887-E891 WeakPolarHBondContact O-CB 3.29Å; E887-E891 WeakPolarHBondContact O-CG 3.21Å; E887-E891 PolarHBondContact O-N 3.4Å |
| 892 | S | 83.8 | Confident | 83.3 | Confident | 22 Ų | 22 | 50.9 Ų | 50.9 | 15% | 0.154 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -101 | 175.5 | 179.2 | 83.1 | 0 | 0 | 0 | 0 | 113.6 | Q857 L889 M890 A894 L895 | Q857-S892 PolarHBondContact NE2-OG 2.96Å; L889-S892 PolarHBondContact O-N 3.2Å; L889-S892 PolarHBondContact O-OG 2.97Å; M890-S892 PolarHBondContact O-N 3.49Å; S892-A894 PolarHBondContact O-N 2.97Å; S892-A894 WeakPolarHBondContact OG-CB 3.35Å; S892-A894 PolarHBondContact OG-N 3.32Å; S892-L895 PolarHBondContact O-N 3.1Å |
| 893 | E | 83.3 | Confident | 82.9 | Confident | 127 Ų | 127 | 53.8 Ų | 53.8 | 59% | 0.593 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -14.6 | 173.3 | -60.1 | -175.7 | 176.3 | 0 | 0 | 113.7 | L895 E896 I897 | E893-L895 PolarHBondContact O-N 3.3Å; E893-E896 PolarHBondContact O-N 2.89Å; E893-E896 VanDerWaalsContact O-N 3.15Å; E893-I897 HydrophobicContact CB-CD1 4.46Å; E893-I897 WeakPolarHBondContact O-CD1 3.45Å; E893-I897 VanDerWaalsContact O-CG1 3.29Å; E893-I897 WeakPolarHBondContact O-CG1 3.33Å; E893-I897 PolarHBondContact O-N 3.46Å; E893-I897 VanDerWaalsContact O-N 3.14Å |
| 894 | A | 82.5 | Confident | 81.9 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.4 | -29.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L860 S892 L898 | L860-A894 HydrophobicContact CD1-CB 4.08Å; S892-A894 PolarHBondContact O-N 2.97Å; S892-A894 WeakPolarHBondContact OG-CB 3.35Å; S892-A894 PolarHBondContact OG-N 3.32Å; A894-L898 VanDerWaalsContact O-CB 3.32Å; A894-L898 WeakPolarHBondContact O-CB 3.45Å; A894-L898 WeakPolarHBondContact O-CG 3.25Å; A894-L898 PolarHBondContact O-N 3.2Å |
| 895 | L | 83.3 | Confident | 80.9 | Confident | 46 Ų | 46 | 52.4 Ų | 52.4 | 24% | 0.241 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.8 | -47.7 | 175.1 | 172.4 | 56.1 | 0 | 0 | 0 | 112.1 | M890 S892 E893 I897 L898 T899 L920 I929 | M890-L895 HydrophobicContact SD-CB 4.49Å; M890-L895 HydrophobicContact SD-CD1 4.06Å; S892-L895 PolarHBondContact O-N 3.1Å; E893-L895 PolarHBondContact O-N 3.3Å; L895-I897 VanDerWaalsContact C-N 3.33Å; L895-L898 PolarHBondContact O-N 3.49Å; L895-T899 WeakPolarHBondContact O-CB 3.46Å; L895-T899 PolarHBondContact O-N 3.14Å; L895-T899 PolarHBondContact O-OG1 3.49Å; L895-L920 HydrophobicContact CD1-CD2 3.82Å; L895-I929 HydrophobicContact CD1-CD1 3.38Å; L895-I929 HydrophobicContact CD1-CG1 4.49Å; L895-I929 HydrophobicContact CD2-CD1 4.23Å; L895-I929 HydrophobicContact CG-CD1 4.43Å |
| 896 | E | 83.4 | Confident | 79.1 | Confident | 145 Ų | 145 | 62.3 Ų | 62.3 | 68% | 0.678 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -63.4 | -44.7 | 179.3 | -63.1 | -171.2 | 175 | 0 | 0 | 110.2 | E893 T899 V900 | E893-E896 PolarHBondContact O-N 2.89Å; E893-E896 VanDerWaalsContact O-N 3.15Å; E896-T899 PolarHBondContact O-N 3Å; E896-V900 WeakPolarHBondContact O-CG2 3.48Å; E896-V900 PolarHBondContact O-N 3.28Å |
| 897 | I | 83.1 | Confident | 77.8 | Confident | 17 Ų | 17 | 65.4 Ų | 65.4 | 9% | 0.087 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.1 | -51.1 | 178.4 | -59.7 | 162.3 | 0 | 0 | 0 | 110.5 | Q857 L860 L861 E893 L895 T899 V900 L901 | Q857-I897 HydrophobicContact CB-CD1 4.41Å; Q857-I897 HydrophobicContact CG-CD1 4.43Å; L860-I897 HydrophobicContact CB-CG2 3.69Å; L860-I897 HydrophobicContact CD1-CG2 4.49Å; L861-I897 HydrophobicContact CD1-CD1 3.91Å; L861-I897 HydrophobicContact CD2-CD1 4.1Å; L861-I897 HydrophobicContact CD2-CG1 3.92Å; L861-I897 HydrophobicContact CD2-CG2 4.08Å; L861-I897 HydrophobicContact CG-CD1 3.79Å; L861-I897 HydrophobicContact CG-CG1 4.19Å; L861-I897 HydrophobicContact CG-CG2 4.37Å; E893-I897 HydrophobicContact CB-CD1 4.46Å; E893-I897 WeakPolarHBondContact O-CD1 3.45Å; E893-I897 VanDerWaalsContact O-CG1 3.29Å; E893-I897 WeakPolarHBondContact O-CG1 3.33Å; E893-I897 PolarHBondContact O-N 3.46Å; E893-I897 VanDerWaalsContact O-N 3.14Å; L895-I897 VanDerWaalsContact C-N 3.33Å; I897-T899 VanDerWaalsContact C-N 3.28Å; I897-T899 PolarHBondContact O-N 3.31Å; I897-V900 PolarHBondContact O-N 2.82Å; I897-V900 VanDerWaalsContact O-N 3.16Å; I897-L901 HydrophobicContact CG2-CD1 4Å; I897-L901 HydrophobicContact CG2-CG 4.35Å; I897-L901 VanDerWaalsContact O-CG 3.29Å; I897-L901 WeakPolarHBondContact O-CG 3.08Å; I897-L901 PolarHBondContact O-N 3.29Å |
| 898 | L | 82.8 | Confident | 76.1 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.1 | -34.8 | 178.8 | -72.9 | 170.3 | 0 | 0 | 0 | 112.5 | L860 V872 V875 M890 A894 L895 L901 A902 A916 C919 L920 | L860-L898 HydrophobicContact CD2-CD2 4.26Å; V872-L898 HydrophobicContact CG1-CD2 4.05Å; V872-L898 HydrophobicContact CG2-CD2 4.37Å; V875-L898 HydrophobicContact CG1-CD1 4.21Å; M890-L898 HydrophobicContact CE-CD1 3.62Å; A894-L898 VanDerWaalsContact O-CB 3.32Å; A894-L898 WeakPolarHBondContact O-CB 3.45Å; A894-L898 WeakPolarHBondContact O-CG 3.25Å; A894-L898 PolarHBondContact O-N 3.2Å; L895-L898 PolarHBondContact O-N 3.49Å; L898-L901 PolarHBondContact O-N 3.43Å; L898-A902 VanDerWaalsContact O-CB 3.24Å; L898-A902 WeakPolarHBondContact O-CB 3.46Å; L898-A902 PolarHBondContact O-N 2.97Å; L898-A916 HydrophobicContact CD2-CB 4.1Å; L898-C919 HydrophobicContact CD1-CB 4.19Å; L898-L920 HydrophobicContact CB-CD2 4.32Å |
| 899 | T | 83.3 | Confident | 74.9 | Confident | 50 Ų | 50 | 71.3 Ų | 71.3 | 31% | 0.307 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -67.4 | -37.5 | 176.5 | -56.7 | 0 | 0 | 0 | 0 | 112 | L895 E896 I897 K903 | L895-T899 WeakPolarHBondContact O-CB 3.46Å; L895-T899 PolarHBondContact O-N 3.14Å; L895-T899 PolarHBondContact O-OG1 3.49Å; E896-T899 PolarHBondContact O-N 3Å; I897-T899 VanDerWaalsContact C-N 3.28Å; I897-T899 PolarHBondContact O-N 3.31Å; T899-K903 WeakPolarHBondContact O-CG 3.47Å; T899-K903 PolarHBondContact O-N 3.44Å |
| 900 | V | 84 | Confident | 74.3 | Confident | 100 Ų | 100 | 73.8 Ų | 73.8 | 61% | 0.606 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -67.6 | -46.1 | 173 | 173.4 | 0 | 0 | 0 | 0 | 110.2 | E896 I897 A902 K903 | E896-V900 WeakPolarHBondContact O-CG2 3.48Å; E896-V900 PolarHBondContact O-N 3.28Å; I897-V900 PolarHBondContact O-N 2.82Å; I897-V900 VanDerWaalsContact O-N 3.16Å; V900-A902 VanDerWaalsContact C-N 3.32Å; V900-A902 PolarHBondContact O-N 2.8Å; V900-K903 PolarHBondContact O-N 3.23Å |
| 901 | L | 82.1 | Confident | 74 | Confident | 21 Ų | 21 | 77.1 Ų | 77.1 | 11% | 0.11 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -63.6 | -35.1 | 179.4 | -66.2 | 179.4 | 0 | 0 | 0 | 113.1 | R868 V872 I897 L898 K903 G904 S913 A916 | R868-L901 HydrophobicContact CG-CD1 4.26Å; R868-L901 HydrophobicContact CG-CD2 4.48Å; V872-L901 HydrophobicContact CG2-CD1 3.99Å; I897-L901 HydrophobicContact CG2-CD1 4Å; I897-L901 HydrophobicContact CG2-CG 4.35Å; I897-L901 VanDerWaalsContact O-CG 3.29Å; I897-L901 WeakPolarHBondContact O-CG 3.08Å; I897-L901 PolarHBondContact O-N 3.29Å; L898-L901 PolarHBondContact O-N 3.43Å; L901-K903 VanDerWaalsContact C-N 3.33Å; L901-K903 PolarHBondContact O-N 3.09Å; L901-G904 PolarHBondContact O-N 3.28Å; L901-S913 WeakPolarHBondContact O-CA 3.12Å; L901-S913 WeakPolarHBondContact O-CB 3.49Å; L901-S913 PolarHBondContact O-OG 3.02Å; L901-A916 HydrophobicContact CB-CB 4.04Å |
| 902 | A | 79.1 | Confident | 73.9 | Confident | 18 Ų | 18 | 69.2 Ų | 69.2 | 15% | 0.149 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -69.1 | -26.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L898 V900 G904 A916 L920 | L898-A902 VanDerWaalsContact O-CB 3.24Å; L898-A902 WeakPolarHBondContact O-CB 3.46Å; L898-A902 PolarHBondContact O-N 2.97Å; V900-A902 VanDerWaalsContact C-N 3.32Å; V900-A902 PolarHBondContact O-N 2.8Å; A902-G904 VanDerWaalsContact C-N 3.3Å; A902-G904 PolarHBondContact O-N 3.46Å; A902-A916 HydrophobicContact CB-CB 4.24Å; A902-L920 HydrophobicContact CB-CD1 3.67Å |
| 903 | K | 76.6 | Confident | 73.8 | Confident | 149 Ų | 149 | 69 Ų | 69 | 65% | 0.648 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -72.9 | -21.2 | 177.4 | -73.3 | 173.3 | -175.9 | 172 | 0 | 113.3 | T899 V900 L901 | T899-K903 WeakPolarHBondContact O-CG 3.47Å; T899-K903 PolarHBondContact O-N 3.44Å; V900-K903 PolarHBondContact O-N 3.23Å; L901-K903 VanDerWaalsContact C-N 3.33Å; L901-K903 PolarHBondContact O-N 3.09Å |
| 904 | G | 64.3 | Low | 73.8 | Confident | 38 Ų | 38 | 69.4 Ų | 69.4 | 39% | 0.392 | 42% | 0.418 | S | S | . | . | trans | 66.9 | 171.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L901 A902 S913 | L901-G904 PolarHBondContact O-N 3.28Å; A902-G904 VanDerWaalsContact C-N 3.3Å; A902-G904 PolarHBondContact O-N 3.46Å; G904-S913 WeakPolarHBondContact CA-OG 3.43Å | ||
| 905 | G | 60.4 | Low | 73.9 | Confident | 67 Ų | 67 | 70.2 Ų | 70.2 | 69% | 0.691 | 42% | 0.422 | S | S | * | . | trans | -90 | 161.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | G907 | G905-G907 VanDerWaalsContact C-N 3.33Å; G905-G907 PolarHBondContact O-N 2.97Å | ||
| 906 | E | 46.6 | Very low | 74 | Confident | 218 Ų | 218 | 68 Ų | 68 | 100% | 1.019 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -63.4 | 87.9 | 176.2 | -70 | -174.6 | 163.5 | 0 | 0 | 111 | ||
| 907 | G | 55.6 | Low | 74.1 | Confident | 64 Ų | 64 | 65 Ų | 65 | 66% | 0.66 | 40% | 0.397 | S | S | * | . | S | Bend | trans | 167.1 | 178.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | G905 | G905-G907 VanDerWaalsContact C-N 3.33Å; G905-G907 PolarHBondContact O-N 2.97Å |
| 908 | A | 48.9 | Very low | 74.2 | Confident | 101 Ų | 101 | 67.3 Ų | 67.3 | 84% | 0.835 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -49.4 | 150.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | D910 | A908-D910 PolarHBondContact O-N 3.16Š|
| 909 | V | 59.2 | Low | 74.3 | Confident | 134 Ų | 134 | 67.3 Ų | 67.3 | 81% | 0.812 | 41% | 0.409 | S | S | * | . | trans | -55 | 104 | -176.6 | -176.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 910 | D | 71.9 | Confident | 74.4 | Confident | 55 Ų | 55 | 66 Ų | 66 | 29% | 0.294 | 40% | 0.4 | S | S | . | . | trans | -70.8 | 130 | 175.9 | -177.3 | -4.5 | 0 | 0 | 0 | 110 | A908 V912 S913 K914 | A908-D910 PolarHBondContact O-N 3.16Å; D910-V912 PolarHBondContact O-N 2.78Å; D910-V912 VanDerWaalsContact O-N 3.16Å; D910-V912 WeakPolarHBondContact OD1-CG2 3.45Å; D910-V912 PolarHBondContact OD1-N 2.91Å; D910-S913 PolarHBondContact O-N 3.35Å; D910-S913 VanDerWaalsContact O-N 3.08Å; D910-K914 PolarHBondContact O-N 3.49Å | ||
| 911 | P | 75.7 | Confident | 74.5 | Confident | 79 Ų | 79 | 65.2 Ų | 65.2 | 51% | 0.513 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -50.8 | -32.5 | 171.7 | 17.9 | -31.4 | 0 | 0 | 0 | 113.3 | K914 V915 | P911-K914 PolarHBondContact O-N 3.38Å; P911-V915 VanDerWaalsContact O-CG2 3.27Å; P911-V915 WeakPolarHBondContact O-CG2 3.47Å; P911-V915 PolarHBondContact O-N 3.43Å; P911-V915 VanDerWaalsContact O-N 3.16Å |
| 912 | V | 81.8 | Confident | 74.6 | Confident | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.012 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63 | -46.1 | 176.6 | -177.4 | 0 | 0 | 0 | 0 | 111.5 | R868 H869 V872 D910 K914 V915 A916 | R868-V912 HydrophobicContact CG-CG1 4.1Å; H869-V912 HydrophobicContact CB-CG2 3.79Å; V872-V912 HydrophobicContact CG2-CG1 3.99Å; D910-V912 PolarHBondContact O-N 2.78Å; D910-V912 VanDerWaalsContact O-N 3.16Å; D910-V912 WeakPolarHBondContact OD1-CG2 3.45Å; D910-V912 PolarHBondContact OD1-N 2.91Å; V912-K914 VanDerWaalsContact C-N 3.3Å; V912-K914 PolarHBondContact O-N 3.18Å; V912-V915 PolarHBondContact O-N 3.05Å; V912-A916 WeakPolarHBondContact O-CB 3.45Å; V912-A916 PolarHBondContact O-N 3.1Å |
| 913 | S | 82.1 | Confident | 74.8 | Confident | 16 Ų | 16 | 65.4 Ų | 65.4 | 11% | 0.112 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.7 | -36.2 | -179.8 | -60.8 | 0 | 0 | 0 | 0 | 112.1 | L901 G904 D910 Q917 | L901-S913 WeakPolarHBondContact O-CA 3.12Å; L901-S913 WeakPolarHBondContact O-CB 3.49Å; L901-S913 PolarHBondContact O-OG 3.02Å; G904-S913 WeakPolarHBondContact CA-OG 3.43Å; D910-S913 PolarHBondContact O-N 3.35Å; D910-S913 VanDerWaalsContact O-N 3.08Å; S913-Q917 WeakPolarHBondContact O-CB 3.49Å; S913-Q917 PolarHBondContact O-N 3.33Å |
| 914 | K | 83.8 | Confident | 75.3 | Confident | 137 Ų | 137 | 61.1 Ų | 61.1 | 60% | 0.596 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -66 | -45.3 | 176.3 | -173.1 | 178.2 | -180 | -179.4 | 0 | 112.2 | D910 P911 V912 Q917 N918 | D910-K914 PolarHBondContact O-N 3.49Å; P911-K914 PolarHBondContact O-N 3.38Å; V912-K914 VanDerWaalsContact C-N 3.3Å; V912-K914 PolarHBondContact O-N 3.18Å; K914-Q917 PolarHBondContact O-N 3.37Å; K914-N918 VanDerWaalsContact O-CG 3.27Å; K914-N918 PolarHBondContact O-N 3.46Å; K914-N918 VanDerWaalsContact O-N 3.08Å; K914-N918 PolarHBondContact O-ND2 3.25Å |
| 915 | V | 84.3 | Confident | 76.2 | Confident | 18 Ų | 18 | 65.8 Ų | 65.8 | 11% | 0.109 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67.2 | -41 | 178.8 | 178.4 | 0 | 0 | 0 | 0 | 109.9 | V872 V873 Q876 P911 V912 Q917 N918 C919 | V872-V915 HydrophobicContact CB-CG1 4.08Å; V872-V915 HydrophobicContact CG1-CB 3.91Å; V872-V915 HydrophobicContact CG1-CG1 3.41Å; V872-V915 VanDerWaalsContact CG1-CG1 3.41Å; V873-V915 HydrophobicContact CG2-CG1 3.92Å; Q876-V915 HydrophobicContact CB-CG1 4.36Å; P911-V915 VanDerWaalsContact O-CG2 3.27Å; P911-V915 WeakPolarHBondContact O-CG2 3.47Å; P911-V915 PolarHBondContact O-N 3.43Å; P911-V915 VanDerWaalsContact O-N 3.16Å; V912-V915 PolarHBondContact O-N 3.05Å; V915-Q917 PolarHBondContact O-N 3.48Å; V915-N918 WeakPolarHBondContact O-CB 3.23Å; V915-N918 PolarHBondContact O-N 2.83Å; V915-N918 VanDerWaalsContact O-N 3.15Å; V915-C919 PolarHBondContact O-N 3.35Å; V915-C919 VanDerWaalsContact O-N 3.08Å; V915-C919 PolarHBondContact O-SG 3.45Å; V915-C919 VanDerWaalsContact O-SG 3.37Å |
| 916 | A | 84.8 | Confident | 77.3 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V872 L898 L901 A902 V912 N918 C919 L920 | V872-A916 HydrophobicContact CG1-CB 4.1Å; L898-A916 HydrophobicContact CD2-CB 4.1Å; L901-A916 HydrophobicContact CB-CB 4.04Å; A902-A916 HydrophobicContact CB-CB 4.24Å; V912-A916 WeakPolarHBondContact O-CB 3.45Å; V912-A916 PolarHBondContact O-N 3.1Å; A916-N918 VanDerWaalsContact C-N 3.3Å; A916-N918 PolarHBondContact O-N 2.87Å; A916-C919 WeakPolarHBondContact O-CB 3.41Å; A916-C919 PolarHBondContact O-N 3Å; A916-L920 PolarHBondContact O-N 2.94Å; A916-L920 VanDerWaalsContact O-N 3.11Å |
| 917 | Q | 85.4 | Confident | 78.8 | Confident | 81 Ų | 81 | 57.9 Ų | 57.9 | 38% | 0.379 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.9 | -37.5 | 174.4 | -171.3 | 62.5 | 46.8 | 0 | 0 | 111.8 | S913 K914 V915 C919 L920 N921 | S913-Q917 WeakPolarHBondContact O-CB 3.49Å; S913-Q917 PolarHBondContact O-N 3.33Å; K914-Q917 PolarHBondContact O-N 3.37Å; V915-Q917 PolarHBondContact O-N 3.48Å; Q917-C919 VanDerWaalsContact C-N 3.34Å; Q917-C919 PolarHBondContact O-N 3.37Å; Q917-L920 PolarHBondContact O-N 3.18Å; Q917-N921 PolarHBondContact NE2-OD1 3.47Å; Q917-N921 WeakPolarHBondContact O-CB 3.34Å; Q917-N921 PolarHBondContact O-N 3.11Å; Q917-N921 PolarHBondContact O-ND2 2.99Å; Q917-N921 PolarHBondContact O-OD1 3.14Å |
| 918 | N | 85.9 | Confident | 80.1 | Confident | 65 Ų | 65 | 57.2 Ų | 57.2 | 35% | 0.348 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.3 | -39.1 | 174.8 | -68.1 | -22.7 | 0 | 0 | 0 | 112.1 | K914 V915 A916 N921 K922 | K914-N918 VanDerWaalsContact O-CG 3.27Å; K914-N918 PolarHBondContact O-N 3.46Å; K914-N918 VanDerWaalsContact O-N 3.08Å; K914-N918 PolarHBondContact O-ND2 3.25Å; V915-N918 WeakPolarHBondContact O-CB 3.23Å; V915-N918 PolarHBondContact O-N 2.83Å; V915-N918 VanDerWaalsContact O-N 3.15Å; A916-N918 VanDerWaalsContact C-N 3.3Å; A916-N918 PolarHBondContact O-N 2.87Å; N918-N921 PolarHBondContact O-N 3.47Å; N918-K922 WeakPolarHBondContact O-CB 3.38Å; N918-K922 PolarHBondContact O-N 3.07Å |
| 919 | C | 85 | Confident | 81.4 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.8 | -48.7 | 173.7 | -62.8 | 0 | 0 | 0 | 0 | 111.3 | Q876 M879 L898 V915 A916 Q917 N921 K922 A923 | Q876-C919 VanDerWaalsContact CA-SG 3.56Å; Q876-C919 WeakPolarHBondContact CB-SG 3.24Å; M879-C919 HydrophobicContact CE-CB 4.43Å; M879-C919 WeakPolarHBondContact CE-O 3.16Å; M879-C919 HydrophobicContact SD-CB 3.8Å; L898-C919 HydrophobicContact CD1-CB 4.19Å; V915-C919 PolarHBondContact O-N 3.35Å; V915-C919 VanDerWaalsContact O-N 3.08Å; V915-C919 PolarHBondContact O-SG 3.45Å; V915-C919 VanDerWaalsContact O-SG 3.37Å; A916-C919 WeakPolarHBondContact O-CB 3.41Å; A916-C919 PolarHBondContact O-N 3Å; Q917-C919 VanDerWaalsContact C-N 3.34Å; Q917-C919 PolarHBondContact O-N 3.37Å; C919-N921 PolarHBondContact O-N 3.38Å; C919-K922 WeakPolarHBondContact O-CB 3.32Å; C919-K922 PolarHBondContact O-N 3.32Å; C919-A923 PolarHBondContact O-N 3.31Å |
| 920 | L | 85.3 | Confident | 82 | Confident | 22 Ų | 22 | 57.5 Ų | 57.5 | 12% | 0.115 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 178.7 | -66.1 | 173.6 | 0 | 0 | 0 | 111.8 | L895 L898 A902 A916 Q917 K922 A923 V924 | L895-L920 HydrophobicContact CD1-CD2 3.82Å; L898-L920 HydrophobicContact CB-CD2 4.32Å; A902-L920 HydrophobicContact CB-CD1 3.67Å; A916-L920 PolarHBondContact O-N 2.94Å; A916-L920 VanDerWaalsContact O-N 3.11Å; Q917-L920 PolarHBondContact O-N 3.18Å; L920-K922 VanDerWaalsContact C-N 3.28Å; L920-K922 PolarHBondContact O-N 2.89Å; L920-A923 PolarHBondContact O-N 3.44Å; L920-V924 WeakPolarHBondContact O-CG2 3.34Å; L920-V924 PolarHBondContact O-N 3.26Å |
| 921 | N | 85.6 | Confident | 81.2 | Confident | 84 Ų | 84 | 56.8 Ų | 56.8 | 45% | 0.449 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.2 | -39.5 | 175.8 | -67.8 | -10.7 | 0 | 0 | 0 | 111.5 | Q917 N918 C919 V924 E925 | Q917-N921 PolarHBondContact NE2-OD1 3.47Å; Q917-N921 WeakPolarHBondContact O-CB 3.34Å; Q917-N921 PolarHBondContact O-N 3.11Å; Q917-N921 PolarHBondContact O-ND2 2.99Å; Q917-N921 PolarHBondContact O-OD1 3.14Å; N918-N921 PolarHBondContact O-N 3.47Å; C919-N921 PolarHBondContact O-N 3.38Å; N921-V924 PolarHBondContact O-N 3.36Å; N921-E925 PolarHBondContact O-N 3.36Å |
| 922 | K | 84.6 | Confident | 80.2 | Confident | 43 Ų | 43 | 63.3 Ų | 63.3 | 19% | 0.187 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.2 | -38.3 | 176.7 | -164.6 | 74.4 | -160.8 | 166.3 | 0 | 112.2 | Q880 N918 C919 L920 V924 E925 Y926 | Q880-K922 HydrophobicContact CG-CD 4.47Å; N918-K922 WeakPolarHBondContact O-CB 3.38Å; N918-K922 PolarHBondContact O-N 3.07Å; C919-K922 WeakPolarHBondContact O-CB 3.32Å; C919-K922 PolarHBondContact O-N 3.32Å; L920-K922 VanDerWaalsContact C-N 3.28Å; L920-K922 PolarHBondContact O-N 2.89Å; K922-V924 VanDerWaalsContact C-N 3.33Å; K922-E925 WeakPolarHBondContact CD-OE2 3.4Å; K922-E925 WeakPolarHBondContact CE-OE2 3.29Å; K922-E925 IonicContact NZ-OE1 3.82Å; K922-E925 PolarHBondContact NZ-OE1 3.04Å; K922-E925 IonicContact NZ-OE2 3.57Å; K922-E925 PolarHBondContact NZ-OE2 3.21Å; K922-E925 WeakPolarHBondContact O-CB 3.33Å; K922-E925 PolarHBondContact O-N 3.49Å; K922-Y926 HydrophobicContact CD-CE2 4.28Å; K922-Y926 VanDerWaalsContact CE-CZ 3.41Å; K922-Y926 VanDerWaalsContact CE-OH 3.25Å; K922-Y926 WeakPolarHBondContact CE-OH 3.33Å; K922-Y926 HydrophobicContact CG-CD2 4.14Å; K922-Y926 HydrophobicContact CG-CE2 3.7Å; K922-Y926 WeakPolarHBondContact O-CD2 3.43Å; K922-Y926 PolarHBondContact O-N 3.47Å |
| 923 | A | 84.1 | Confident | 78.5 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66 | -34.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | M879 M890 C919 L920 Y926 G927 I928 I929 | M879-A923 HydrophobicContact CE-CB 3.79Å; M890-A923 HydrophobicContact CG-CB 4Å; M890-A923 HydrophobicContact SD-CB 3.91Å; C919-A923 PolarHBondContact O-N 3.31Å; L920-A923 PolarHBondContact O-N 3.44Å; A923-Y926 PolarHBondContact O-N 2.71Å; A923-G927 PolarHBondContact O-N 3.46Å; A923-I928 PolarHBondContact O-N 2.91Å; A923-I929 HydrophobicContact CB-CD1 3.55Å; A923-I929 HydrophobicContact CB-CG1 4.05Å |
| 924 | V | 85.1 | Confident | 76.6 | Confident | 60 Ų | 60 | 74.4 Ų | 74.4 | 36% | 0.364 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.3 | -43.2 | 171.1 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | L920 N921 K922 Y926 G927 | L920-V924 WeakPolarHBondContact O-CG2 3.34Å; L920-V924 PolarHBondContact O-N 3.26Å; N921-V924 PolarHBondContact O-N 3.36Å; K922-V924 VanDerWaalsContact C-N 3.33Å; V924-Y926 VanDerWaalsContact C-N 3.29Å; V924-Y926 PolarHBondContact O-N 3.32Å; V924-G927 WeakPolarHBondContact O-CA 3.39Å; V924-G927 PolarHBondContact O-N 3.38Å |
| 925 | E | 85 | Confident | 74.5 | Confident | 135 Ų | 135 | 70 Ų | 70 | 63% | 0.631 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -58.8 | -39.5 | 175.7 | -169.7 | -168.7 | 148.9 | 0 | 0 | 112 | N921 K922 G927 | N921-E925 PolarHBondContact O-N 3.36Å; K922-E925 WeakPolarHBondContact CD-OE2 3.4Å; K922-E925 WeakPolarHBondContact CE-OE2 3.29Å; K922-E925 IonicContact NZ-OE1 3.82Å; K922-E925 PolarHBondContact NZ-OE1 3.04Å; K922-E925 IonicContact NZ-OE2 3.57Å; K922-E925 PolarHBondContact NZ-OE2 3.21Å; K922-E925 WeakPolarHBondContact O-CB 3.33Å; K922-E925 PolarHBondContact O-N 3.49Å; E925-G927 PolarHBondContact O-N 3.39Å |
| 926 | Y | 83.2 | Confident | 72.5 | Confident | 56 Ų | 56 | 74.6 Ų | 74.6 | 22% | 0.22 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -6.3 | 174.9 | -71.3 | -43.6 | 0 | 0 | 0 | 114.5 | M879 K883 A886 K922 A923 V924 I928 | M879-Y926 VanDerWaalsContact O-CE2 3.32Å; M879-Y926 WeakPolarHBondContact O-CE2 3.07Å; K883-Y926 HydrophobicContact CD-CD1 4.37Å; K883-Y926 WeakPolarHBondContact CE-O 3.38Å; K883-Y926 HydrophobicContact CG-CD1 4.21Å; K883-Y926 HydrophobicContact CG-CG 4.16Å; A886-Y926 HydrophobicContact CB-CD2 4.16Å; A886-Y926 HydrophobicContact CB-CE2 4.43Å; K922-Y926 HydrophobicContact CD-CE2 4.28Å; K922-Y926 VanDerWaalsContact CE-CZ 3.41Å; K922-Y926 VanDerWaalsContact CE-OH 3.25Å; K922-Y926 WeakPolarHBondContact CE-OH 3.33Å; K922-Y926 HydrophobicContact CG-CD2 4.14Å; K922-Y926 HydrophobicContact CG-CE2 3.7Å; K922-Y926 WeakPolarHBondContact O-CD2 3.43Å; K922-Y926 PolarHBondContact O-N 3.47Å; A923-Y926 PolarHBondContact O-N 2.71Å; V924-Y926 VanDerWaalsContact C-N 3.29Å; V924-Y926 PolarHBondContact O-N 3.32Å; Y926-I928 VanDerWaalsContact C-N 3.29Å; Y926-I928 HydrophobicContact CD2-CD1 4.39Å |
| 927 | G | 78.3 | Confident | 70.3 | Confident | 63 Ų | 63 | 82.1 Ų | 82.1 | 65% | 0.649 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74 | 16.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | A923 V924 E925 | A923-G927 PolarHBondContact O-N 3.46Å; V924-G927 WeakPolarHBondContact O-CA 3.39Å; V924-G927 PolarHBondContact O-N 3.38Å; E925-G927 PolarHBondContact O-N 3.39Å |
| 928 | I | 81.8 | Confident | 68.1 | Low | 51 Ų | 51 | 85.8 Ų | 85.8 | 26% | 0.262 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -76.5 | -34.6 | -178.7 | -56.1 | 168.9 | 0 | 0 | 0 | 109.9 | A886 E887 M890 A923 Y926 | A886-I928 HydrophobicContact CB-CD1 3.71Å; E887-I928 HydrophobicContact CG-CD1 3.76Å; E887-I928 HydrophobicContact CG-CG1 3.97Å; M890-I928 HydrophobicContact CB-CG2 3.8Å; M890-I928 HydrophobicContact CG-CG2 4.23Å; A923-I928 PolarHBondContact O-N 2.91Å; Y926-I928 VanDerWaalsContact C-N 3.29Å; Y926-I928 HydrophobicContact CD2-CD1 4.39Å |
| 929 | I | 76.4 | Confident | 65.7 | Low | 45 Ų | 45 | 90.9 Ų | 90.9 | 23% | 0.231 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -127.7 | 147.6 | -178.6 | -49.5 | 169.5 | 0 | 0 | 0 | 109 | M890 L895 A923 | M890-I929 HydrophobicContact CB-CD1 4.4Å; M890-I929 HydrophobicContact CG-CD1 4.09Å; M890-I929 HydrophobicContact SD-CD1 3.57Å; M890-I929 VanDerWaalsContact SD-CD1 3.57Å; L895-I929 HydrophobicContact CD1-CD1 3.38Å; L895-I929 HydrophobicContact CD1-CG1 4.49Å; L895-I929 HydrophobicContact CD2-CD1 4.23Å; L895-I929 HydrophobicContact CG-CD1 4.43Å; A923-I929 HydrophobicContact CB-CD1 3.55Å; A923-I929 HydrophobicContact CB-CG1 4.05Å |
| 930 | R | 71.2 | Confident | 63.6 | Low | 196 Ų | 196 | 99.6 Ų | 99.6 | 74% | 0.74 | 49% | 0.488 | S | S | * | . | trans | -92.1 | 139.7 | 175.3 | -65.5 | -176.2 | -177.8 | 161.7 | 5.4 | 111.4 | ||||
| 931 | S | 55.9 | Low | 61.4 | Low | 40 Ų | 40 | 101.5 Ų | 101.5 | 28% | 0.28 | 51% | 0.513 | S | S | . | . | trans | -59.7 | 143.3 | 170 | 172.6 | 0 | 0 | 0 | 0 | 110.1 | E933 D934 | S931-E933 PolarHBondContact O-N 3.04Å; S931-E933 VanDerWaalsContact O-N 3.16Å; S931-E933 PolarHBondContact OG-N 3.47Å; S931-D934 PolarHBondContact O-N 2.86Å; S931-D934 VanDerWaalsContact O-N 3.16Å | ||
| 932 | R | 53.7 | Low | 59.4 | Low | 215 Ų | 215 | 107.1 Ų | 107.1 | 81% | 0.811 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -19 | 176.2 | -138.8 | 178 | -172.8 | -167.4 | -0.9 | 112.4 | ||
| 933 | E | 47.2 | Very low | 57.1 | Low | 158 Ų | 158 | 108.4 Ų | 108.4 | 74% | 0.738 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -30.1 | 176.6 | -65.7 | -179.5 | 159.2 | 0 | 0 | 112.6 | S931 G935 | S931-E933 PolarHBondContact O-N 3.04Å; S931-E933 VanDerWaalsContact O-N 3.16Å; S931-E933 PolarHBondContact OG-N 3.47Å; E933-G935 VanDerWaalsContact C-N 3.32Å; E933-G935 PolarHBondContact O-N 2.9Å |
| 934 | D | 43 | Very low | 54.8 | Low | 94 Ų | 94 | 115.2 Ų | 115.2 | 50% | 0.503 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -78.1 | -14.7 | 179 | -67.6 | -33.9 | 0 | 0 | 0 | 113.6 | S931 | S931-D934 PolarHBondContact O-N 2.86Å; S931-D934 VanDerWaalsContact O-N 3.16Å |
| 935 | G | 39.7 | Very low | 52.4 | Low | 45 Ų | 45 | 121.5 Ų | 121.5 | 46% | 0.464 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -76.2 | -27.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E933 | E933-G935 VanDerWaalsContact C-N 3.32Å; E933-G935 PolarHBondContact O-N 2.9Å |
| 936 | I | 40.8 | Very low | 50.4 | Low | 114 Ų | 114 | 124.6 Ų | 124.6 | 59% | 0.585 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -80.1 | -26.2 | -176.5 | -60 | 175.8 | 0 | 0 | 0 | 111.3 | ||
| 937 | E | 39.7 | Very low | 48.7 | Very low | 158 Ų | 158 | 128.1 Ų | 128.1 | 74% | 0.738 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -77.1 | -25.1 | 176.9 | -73.6 | -164.8 | 154.8 | 0 | 0 | 113.6 | ||
| 938 | K | 38.1 | Very low | 47.2 | Very low | 157 Ų | 157 | 131.5 Ų | 131.5 | 68% | 0.683 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -85.9 | -22.7 | 179.5 | -83.8 | -175.8 | 177.4 | 175.1 | 0 | 115 | ||
| 939 | E | 36.9 | Very low | 45.3 | Very low | 173 Ų | 173 | 135.9 Ų | 135.9 | 81% | 0.808 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -80 | -18.7 | 175.4 | -80.8 | -170.9 | 156.8 | 0 | 0 | 113.7 | G941 | E939-G941 VanDerWaalsContact C-N 3.32Å; E939-G941 PolarHBondContact O-N 3.47Å |
| 940 | K | 40.1 | Very low | 43.4 | Very low | 182 Ų | 182 | 141.3 Ų | 141.3 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -3.7 | 175.2 | -73.9 | -174.2 | 177.3 | 178.7 | 0 | 114.8 | ||
| 941 | G | 39.5 | Very low | 41.7 | Very low | 63 Ų | 63 | 137.9 Ų | 137.9 | 65% | 0.649 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | 0.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | E939 | E939-G941 VanDerWaalsContact C-N 3.32Å; E939-G941 PolarHBondContact O-N 3.47Å |
| 942 | K | 43.9 | Very low | 40.7 | Very low | 201 Ų | 201 | 144.4 Ų | 144.4 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -134.7 | 100.5 | 179.4 | -79.2 | -171.3 | 177.3 | -178.1 | 0 | 112.3 | ||
| 943 | G | 35.2 | Very low | 39.8 | Very low | 70 Ų | 70 | 139.4 Ų | 139.4 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | trans | 126.6 | 93.5 | 155.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 944 | T | 37 | Very low | 39.3 | Very low | 143 Ų | 143 | 137.9 Ų | 137.9 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | 173.3 | 114.5 | 115.7 | 39.8 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 945 | E | 33.1 | Very low | 38.9 | Very low | 193 Ų | 193 | 141.6 Ų | 141.6 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | trans | -172.4 | 145.7 | 138.7 | -108 | -178.5 | -162.4 | 0 | 0 | 109 | ||||
| 946 | P | 43.5 | Very low | 38.9 | Very low | 200 Ų | 200 | 150.4 Ų | 150.4 | 100% | 1.299 | 81% | 0.812 | S | S | * | * | cis | -100.8 | 0 | -14.5 | 23 | -4.7 | 0 | 0 | 0 | 114.2 |
Retrieved 946 of 946 residues in 717.8 ms
(Link to these results)