| 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 | 27.4 | Very low | 34.6 | Very low | 248 Ų | 248 | 130.6 Ų | 130.6 | 100% | 1.222 | 77% | 0.772 | S | S | * | * | 0 | 86.4 | 0 | -151.1 | 171.7 | -174.5 | 0 | 0 | 106.1 | |||||
| 2 | A | 23.6 | Very low | 36 | Very low | 105 Ų | 105 | 122.3 Ų | 122.3 | 87% | 0.868 | 72% | 0.723 | S | S | * | * | trans | -87 | 108.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | A4 | A2-A4 PolarHBondContact O-N 3.4Š| ||
| 3 | A | 26.4 | Very low | 37.5 | Very low | 99 Ų | 99 | 120.8 Ų | 120.8 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | trans | -78.2 | 115.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | E5 | A3-E5 PolarHBondContact O-N 3.19Š| ||
| 4 | A | 28.6 | Very low | 39.2 | Very low | 97 Ų | 97 | 119.6 Ų | 119.6 | 80% | 0.802 | 70% | 0.7 | S | S | * | * | trans | -61.9 | 123.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | A2 V6 | A2-A4 PolarHBondContact O-N 3.4Å; A4-V6 PolarHBondContact O-N 3.47Å | ||
| 5 | E | 25.8 | Very low | 40.7 | Very low | 182 Ų | 182 | 115.4 Ų | 115.4 | 85% | 0.85 | 67% | 0.667 | S | S | * | * | trans | -65.1 | 122.1 | 169.5 | -77.6 | 178.8 | 145.9 | 0 | 0 | 109.7 | A3 M7 | A3-E5 PolarHBondContact O-N 3.19Å; E5-M7 PolarHBondContact O-N 3.14Å; E5-M7 VanDerWaalsContact O-N 3.15Å | ||
| 6 | V | 30.1 | Very low | 41.9 | Very low | 139 Ų | 139 | 111.6 Ų | 111.6 | 84% | 0.842 | 65% | 0.646 | S | S | * | * | trans | -70.6 | 100.7 | 168.5 | 175.6 | 0 | 0 | 0 | 0 | 107.3 | A4 | A4-V6 PolarHBondContact O-N 3.47Š| ||
| 7 | M | 32.3 | Very low | 42.9 | Very low | 153 Ų | 153 | 109.6 Ų | 109.6 | 75% | 0.754 | 64% | 0.636 | S | S | * | * | trans | -69 | 126 | 170.3 | -75.6 | -93.2 | -64.4 | 0 | 0 | 109.5 | E5 | E5-M7 PolarHBondContact O-N 3.14Å; E5-M7 VanDerWaalsContact O-N 3.15Å | ||
| 8 | P | 37.6 | Very low | 43.8 | Very low | 108 Ų | 108 | 108.1 Ų | 108.1 | 70% | 0.701 | 63% | 0.633 | S | S | * | * | trans | -72.2 | 140.8 | 177.4 | 30.6 | -32.6 | 0 | 0 | 0 | 110.3 | Q10 | P8-Q10 PolarHBondContact O-N 2.91Š| ||
| 9 | N | 41 | Very low | 45.2 | Very low | 143 Ų | 143 | 103.6 Ų | 103.6 | 77% | 0.765 | 61% | 0.606 | S | S | * | * | trans | -59.3 | 97.9 | 178.5 | -71.9 | -47.7 | 0 | 0 | 0 | 111.4 | ||||
| 10 | Q | 51 | Low | 45.9 | Very low | 115 Ų | 115 | 101.9 Ų | 101.9 | 54% | 0.537 | 60% | 0.598 | S | S | . | * | trans | -71.2 | 128.7 | 171.7 | -113.3 | 170 | -1.1 | 0 | 0 | 110.1 | P8 N80 | P8-Q10 PolarHBondContact O-N 2.91Å; Q10-N80 PolarHBondContact O-ND2 3.47Å | ||
| 11 | S | 56.4 | Low | 46.4 | Very low | 48 Ų | 48 | 100 Ų | 100 | 34% | 0.336 | 59% | 0.585 | S | S | . | * | trans | -75.9 | 144 | 177.1 | 74.2 | 0 | 0 | 0 | 0 | 110.9 | V13 E14 R15 | S11-V13 PolarHBondContact O-N 3.24Å; S11-V13 VanDerWaalsContact O-N 3.15Å; S11-E14 WeakPolarHBondContact O-CB 3.42Å; S11-E14 PolarHBondContact O-N 3.28Å; S11-E14 WeakPolarHBondContact OG-CB 3.38Å; S11-E14 PolarHBondContact OG-N 3.13Å; S11-R15 PolarHBondContact O-N 3.48Å; S11-R15 VanDerWaalsContact O-N 3.13Å | ||
| 12 | V | 51.2 | Low | 48.2 | Very low | 30 Ų | 30 | 90.7 Ų | 90.7 | 18% | 0.182 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -54.3 | -34 | 175.4 | 169.9 | 0 | 0 | 0 | 0 | 111.6 | R15 V16 N80 A83 C84 | V12-R15 PolarHBondContact O-N 2.89Å; V12-V16 HydrophobicContact CG1-CG2 4.27Å; V12-V16 WeakPolarHBondContact O-CB 3.28Å; V12-V16 VanDerWaalsContact O-CG2 3.27Å; V12-V16 WeakPolarHBondContact O-CG2 3.43Å; V12-V16 PolarHBondContact O-N 3.15Å; V12-N80 WeakPolarHBondContact CG2-O 3.32Å; V12-N80 WeakPolarHBondContact CG2-OD1 3.16Å; V12-N80 PolarHBondContact N-OD1 2.97Å; V12-A83 HydrophobicContact CB-CB 4.48Å; V12-A83 HydrophobicContact CG1-CB 4.33Å; V12-A83 HydrophobicContact CG2-CB 3.59Å; V12-C84 HydrophobicContact CG2-CB 4.48Å; V12-C84 VanDerWaalsContact CG2-SG 3.52Å |
| 13 | V | 56.6 | Low | 50.2 | Low | 104 Ų | 104 | 88.4 Ų | 88.4 | 63% | 0.63 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63 | -45 | 176.8 | -179.4 | 0 | 0 | 0 | 0 | 110.6 | S11 R15 V16 T17 | S11-V13 PolarHBondContact O-N 3.24Å; S11-V13 VanDerWaalsContact O-N 3.15Å; V13-R15 PolarHBondContact O-N 2.95Å; V13-V16 PolarHBondContact O-N 2.88Å; V13-T17 HydrophobicContact CG1-CG2 4.4Å; V13-T17 WeakPolarHBondContact O-CB 3.27Å; V13-T17 VanDerWaalsContact O-CG2 3.29Å; V13-T17 WeakPolarHBondContact O-CG2 3.32Å; V13-T17 PolarHBondContact O-N 3.48Å; V13-T17 PolarHBondContact O-OG1 3.39Å |
| 14 | E | 60.4 | Low | 51.9 | Low | 104 Ų | 104 | 86 Ų | 86 | 49% | 0.486 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 178.2 | -162.4 | 170.5 | -166.1 | 0 | 0 | 111.3 | S11 T17 S18 | S11-E14 WeakPolarHBondContact O-CB 3.42Å; S11-E14 PolarHBondContact O-N 3.28Å; S11-E14 WeakPolarHBondContact OG-CB 3.38Å; S11-E14 PolarHBondContact OG-N 3.13Å; E14-T17 WeakPolarHBondContact CA-OG1 3.29Å; E14-T17 PolarHBondContact O-N 3.03Å; E14-T17 PolarHBondContact O-OG1 2.97Å; E14-S18 VanDerWaalsContact O-CB 3.31Å; E14-S18 WeakPolarHBondContact O-CB 3.33Å; E14-S18 PolarHBondContact O-N 3.21Å; E14-S18 PolarHBondContact O-OG 3.06Å |
| 15 | R | 61.8 | Low | 53.6 | Low | 56 Ų | 56 | 85.1 Ų | 85.1 | 21% | 0.211 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -61.6 | -46.4 | 173.7 | -78.1 | -173.2 | 65.9 | -172.8 | -1.6 | 112.5 | S11 V12 V13 T17 S18 L19 L87 D88 E91 | S11-R15 PolarHBondContact O-N 3.48Å; S11-R15 VanDerWaalsContact O-N 3.13Å; V12-R15 PolarHBondContact O-N 2.89Å; V13-R15 PolarHBondContact O-N 2.95Å; R15-T17 PolarHBondContact O-N 2.72Å; R15-S18 WeakPolarHBondContact CA-OG 3.15Å; R15-S18 PolarHBondContact O-N 3.23Å; R15-S18 PolarHBondContact O-OG 3.12Å; R15-L19 PolarHBondContact O-N 2.85Å; R15-L87 HydrophobicContact CB-CD2 3.97Å; R15-D88 IonicContact CZ-OD1 3.51Å; R15-D88 VanDerWaalsContact CZ-OD1 3.27Å; R15-D88 IonicContact NH1-OD1 3.99Å; R15-D88 PolarHBondContact NH1-OD1 2.86Å; R15-D88 IonicContact NH2-OD1 3.67Å; R15-D88 PolarHBondContact NH2-OD1 3.28Å; R15-E91 IonicContact NH2-OE2 3.44Å; R15-E91 PolarHBondContact NH2-OE2 3.44Å |
| 16 | V | 59.7 | Low | 55.3 | Low | 55 Ų | 55 | 83.9 Ų | 83.9 | 33% | 0.333 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.2 | -38.3 | 178.4 | 172.2 | 0 | 0 | 0 | 0 | 111.7 | V12 V13 S18 L19 V22 L87 | V12-V16 HydrophobicContact CG1-CG2 4.27Å; V12-V16 WeakPolarHBondContact O-CB 3.28Å; V12-V16 VanDerWaalsContact O-CG2 3.27Å; V12-V16 WeakPolarHBondContact O-CG2 3.43Å; V12-V16 PolarHBondContact O-N 3.15Å; V13-V16 PolarHBondContact O-N 2.88Å; V16-S18 VanDerWaalsContact C-N 3.31Å; V16-L19 PolarHBondContact O-N 3.41Å; V16-V22 WeakPolarHBondContact O-CB 3.18Å; V16-L87 HydrophobicContact CG2-CD1 4.21Å; V16-L87 HydrophobicContact CG2-CD2 3.94Å |
| 17 | T | 58.9 | Low | 57.2 | Low | 78 Ų | 78 | 80.4 Ų | 80.4 | 48% | 0.479 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -71.1 | -26.7 | 175.8 | 55.6 | 0 | 0 | 0 | 0 | 113.3 | V13 E14 R15 L19 | V13-T17 HydrophobicContact CG1-CG2 4.4Å; V13-T17 WeakPolarHBondContact O-CB 3.27Å; V13-T17 VanDerWaalsContact O-CG2 3.29Å; V13-T17 WeakPolarHBondContact O-CG2 3.32Å; V13-T17 PolarHBondContact O-N 3.48Å; V13-T17 PolarHBondContact O-OG1 3.39Å; E14-T17 WeakPolarHBondContact CA-OG1 3.29Å; E14-T17 PolarHBondContact O-N 3.03Å; E14-T17 PolarHBondContact O-OG1 2.97Å; R15-T17 PolarHBondContact O-N 2.72Å; T17-L19 VanDerWaalsContact C-N 3.32Å |
| 18 | S | 59.8 | Low | 59.1 | Low | 82 Ų | 82 | 78.7 Ų | 78.7 | 57% | 0.573 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -80.6 | -9.7 | 178.8 | 73.5 | 0 | 0 | 0 | 0 | 114 | E14 R15 V16 P20 | E14-S18 VanDerWaalsContact O-CB 3.31Å; E14-S18 WeakPolarHBondContact O-CB 3.33Å; E14-S18 PolarHBondContact O-N 3.21Å; E14-S18 PolarHBondContact O-OG 3.06Å; R15-S18 WeakPolarHBondContact CA-OG 3.15Å; R15-S18 PolarHBondContact O-N 3.23Å; R15-S18 PolarHBondContact O-OG 3.12Å; V16-S18 VanDerWaalsContact C-N 3.31Å; S18-P20 WeakPolarHBondContact O-CD 3.17Å |
| 19 | L | 70.3 | Confident | 60.6 | Low | 23 Ų | 23 | 77.8 Ų | 77.8 | 12% | 0.12 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -62.6 | 123.8 | 175.4 | -71.7 | 172 | 0 | 0 | 0 | 110 | R15 V16 T17 L21 V22 S23 L97 | R15-L19 PolarHBondContact O-N 2.85Å; V16-L19 PolarHBondContact O-N 3.41Å; T17-L19 VanDerWaalsContact C-N 3.32Å; L19-L21 PolarHBondContact O-N 3.07Å; L19-L21 VanDerWaalsContact O-N 3.1Å; L19-V22 HydrophobicContact CB-CB 4.12Å; L19-V22 HydrophobicContact CB-CG2 3.89Å; L19-V22 HydrophobicContact CD1-CG2 4.24Å; L19-V22 PolarHBondContact O-N 3.13Å; L19-S23 PolarHBondContact O-N 2.73Å; L19-L97 HydrophobicContact CD1-CD2 4.42Å |
| 20 | P | 59.7 | Low | 62.1 | Low | 69 Ų | 69 | 76.4 Ų | 76.4 | 45% | 0.448 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -54.9 | -35.9 | -173.7 | -27.7 | 33.9 | 0 | 0 | 0 | 113.9 | S18 S24 | S18-P20 WeakPolarHBondContact O-CD 3.17Å; P20-S24 WeakPolarHBondContact O-CB 3.23Å; P20-S24 PolarHBondContact O-N 3.44Å |
| 21 | L | 55 | Low | 63.2 | Low | 61 Ų | 61 | 74.4 Ų | 74.4 | 32% | 0.319 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.5 | -42.3 | 176.7 | -173.9 | 66.7 | 0 | 0 | 0 | 112.6 | L19 T25 L97 | L19-L21 PolarHBondContact O-N 3.07Å; L19-L21 VanDerWaalsContact O-N 3.1Å; L21-T25 WeakPolarHBondContact O-CB 3.42Å; L21-T25 PolarHBondContact O-N 3.32Å; L21-T25 PolarHBondContact O-OG1 3.45Å; L21-L97 HydrophobicContact CD2-CD2 4.31Å |
| 22 | V | 65.1 | Low | 63.8 | Low | 53 Ų | 53 | 76.2 Ų | 76.2 | 32% | 0.321 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -71.3 | -43.7 | -179.5 | 179.1 | 0 | 0 | 0 | 0 | 110.1 | V16 L19 S24 T25 Y26 | V16-V22 WeakPolarHBondContact O-CB 3.18Å; L19-V22 HydrophobicContact CB-CB 4.12Å; L19-V22 HydrophobicContact CB-CG2 3.89Å; L19-V22 HydrophobicContact CD1-CG2 4.24Å; L19-V22 PolarHBondContact O-N 3.13Å; V22-S24 PolarHBondContact O-N 2.96Å; V22-T25 PolarHBondContact O-N 3.11Å; V22-Y26 WeakPolarHBondContact O-CB 3.32Å; V22-Y26 PolarHBondContact O-N 2.75Å |
| 23 | S | 67 | Low | 64.9 | Low | 57 Ų | 57 | 79.3 Ų | 79.3 | 40% | 0.399 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.8 | -41.7 | 175.7 | -176.2 | 0 | 0 | 0 | 0 | 112.2 | L19 S27 | L19-S23 PolarHBondContact O-N 2.73Å; S23-S27 VanDerWaalsContact O-CB 3.27Å; S23-S27 WeakPolarHBondContact O-CB 3.32Å; S23-S27 PolarHBondContact O-N 3.36Å; S23-S27 PolarHBondContact O-OG 3.39Å |
| 24 | S | 62.2 | Low | 65.7 | Low | 50 Ų | 50 | 75.5 Ų | 75.5 | 35% | 0.35 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.7 | -45.5 | 176.4 | -174.4 | 0 | 0 | 0 | 0 | 112.1 | P20 V22 S27 L28 | P20-S24 WeakPolarHBondContact O-CB 3.23Å; P20-S24 PolarHBondContact O-N 3.44Å; V22-S24 PolarHBondContact O-N 2.96Å; S24-S27 PolarHBondContact O-N 2.9Å; S24-L28 WeakPolarHBondContact O-CB 3.27Å; S24-L28 PolarHBondContact O-N 3.45Å |
| 25 | T | 63.1 | Low | 66.2 | Low | 78 Ų | 78 | 75 Ų | 75 | 48% | 0.479 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66 | -41.1 | 178.1 | -49.3 | 0 | 0 | 0 | 0 | 111.4 | L21 V22 L28 V29 | L21-T25 WeakPolarHBondContact O-CB 3.42Å; L21-T25 PolarHBondContact O-N 3.32Å; L21-T25 PolarHBondContact O-OG1 3.45Å; V22-T25 PolarHBondContact O-N 3.11Å; T25-L28 PolarHBondContact O-N 2.95Å; T25-V29 VanDerWaalsContact O-CG2 3.29Å; T25-V29 WeakPolarHBondContact O-CG2 3.31Å; T25-V29 PolarHBondContact O-N 3.45Å |
| 26 | Y | 62.9 | Low | 66.7 | Low | 156 Ų | 156 | 75.5 Ų | 75.5 | 61% | 0.612 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -62.5 | -46.1 | 175.1 | 179.4 | -98.2 | 0 | 0 | 0 | 111.5 | V22 L28 V29 F30 | V22-Y26 WeakPolarHBondContact O-CB 3.32Å; V22-Y26 PolarHBondContact O-N 2.75Å; Y26-L28 VanDerWaalsContact C-N 3.34Å; Y26-L28 PolarHBondContact O-N 3Å; Y26-V29 PolarHBondContact O-N 2.8Å; Y26-F30 WeakPolarHBondContact O-CB 3.29Å; Y26-F30 PolarHBondContact O-N 2.88Å |
| 27 | S | 68.4 | Low | 67.5 | Low | 65 Ų | 65 | 74.2 Ų | 74.2 | 46% | 0.455 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.3 | -38.5 | 179.2 | -60.9 | 0 | 0 | 0 | 0 | 112.1 | S23 S24 S31 | S23-S27 VanDerWaalsContact O-CB 3.27Å; S23-S27 WeakPolarHBondContact O-CB 3.32Å; S23-S27 PolarHBondContact O-N 3.36Å; S23-S27 PolarHBondContact O-OG 3.39Å; S24-S27 PolarHBondContact O-N 2.9Å; S27-S31 VanDerWaalsContact O-CB 3.23Å; S27-S31 WeakPolarHBondContact O-CB 3.2Å; S27-S31 PolarHBondContact O-N 2.81Å |
| 28 | L | 73.1 | Confident | 68.2 | Low | 117 Ų | 117 | 74.8 Ų | 74.8 | 61% | 0.613 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -67 | -46.2 | 177 | -171.1 | 132.6 | 0 | 0 | 0 | 111.6 | S24 T25 Y26 S31 V32 | S24-L28 WeakPolarHBondContact O-CB 3.27Å; S24-L28 PolarHBondContact O-N 3.45Å; T25-L28 PolarHBondContact O-N 2.95Å; Y26-L28 VanDerWaalsContact C-N 3.34Å; Y26-L28 PolarHBondContact O-N 3Å; L28-S31 PolarHBondContact O-N 3.4Å; L28-V32 WeakPolarHBondContact O-CG2 3.34Å; L28-V32 PolarHBondContact O-N 3.4Å |
| 29 | V | 69.4 | Low | 68.8 | Low | 89 Ų | 89 | 76 Ų | 76 | 54% | 0.539 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.1 | -41.8 | 176.5 | 173.4 | 0 | 0 | 0 | 0 | 111 | T25 Y26 S31 V32 Y33 | T25-V29 VanDerWaalsContact O-CG2 3.29Å; T25-V29 WeakPolarHBondContact O-CG2 3.31Å; T25-V29 PolarHBondContact O-N 3.45Å; Y26-V29 PolarHBondContact O-N 2.8Å; V29-S31 VanDerWaalsContact C-N 3.34Å; V29-S31 PolarHBondContact O-N 2.97Å; V29-V32 PolarHBondContact O-N 3.45Å; V29-Y33 WeakPolarHBondContact O-CB 3.36Å; V29-Y33 PolarHBondContact O-N 2.73Å |
| 30 | F | 73.2 | Confident | 68.6 | Low | 114 Ų | 114 | 79.8 Ų | 79.8 | 50% | 0.5 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.3 | -38.5 | 177.3 | -176.1 | -98.1 | 0 | 0 | 0 | 112.2 | Y26 S34 | Y26-F30 WeakPolarHBondContact O-CB 3.29Å; Y26-F30 PolarHBondContact O-N 2.88Å; F30-S34 VanDerWaalsContact O-CB 3.27Å; F30-S34 WeakPolarHBondContact O-CB 3.34Å; F30-S34 PolarHBondContact O-N 2.84Å; F30-S34 PolarHBondContact O-OG 3.01Å |
| 31 | S | 72.5 | Confident | 69.1 | Low | 74 Ų | 74 | 80.9 Ų | 80.9 | 52% | 0.517 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.9 | -45.5 | 175.1 | -178.5 | 0 | 0 | 0 | 0 | 111.9 | S27 L28 V29 Y33 S34 N35 | S27-S31 VanDerWaalsContact O-CB 3.23Å; S27-S31 WeakPolarHBondContact O-CB 3.2Å; S27-S31 PolarHBondContact O-N 2.81Å; L28-S31 PolarHBondContact O-N 3.4Å; V29-S31 VanDerWaalsContact C-N 3.34Å; V29-S31 PolarHBondContact O-N 2.97Å; S31-Y33 VanDerWaalsContact C-N 3.35Å; S31-Y33 PolarHBondContact O-N 3.49Å; S31-S34 PolarHBondContact O-N 2.81Å; S31-N35 WeakPolarHBondContact O-CB 3.48Å; S31-N35 PolarHBondContact O-N 3.33Å |
| 32 | V | 70.4 | Confident | 69.4 | Low | 85 Ų | 85 | 87.8 Ų | 87.8 | 52% | 0.515 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.6 | -41.5 | 175.8 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | L28 V29 T36 | L28-V32 WeakPolarHBondContact O-CG2 3.34Å; L28-V32 PolarHBondContact O-N 3.4Å; V29-V32 PolarHBondContact O-N 3.45Å; V32-T36 WeakPolarHBondContact O-CB 3.27Å; V32-T36 PolarHBondContact O-N 2.91Å; V32-T36 PolarHBondContact O-OG1 3.43Å |
| 33 | Y | 73.6 | Confident | 69.7 | Low | 96 Ų | 96 | 88.9 Ų | 88.9 | 38% | 0.376 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.2 | -49.3 | 176.1 | 177.2 | -98.4 | 0 | 0 | 0 | 111.7 | V29 S31 T36 K37 C47 | V29-Y33 WeakPolarHBondContact O-CB 3.36Å; V29-Y33 PolarHBondContact O-N 2.73Å; S31-Y33 VanDerWaalsContact C-N 3.35Å; S31-Y33 PolarHBondContact O-N 3.49Å; Y33-T36 PolarHBondContact O-N 2.86Å; Y33-K37 HydrophobicContact CE1-CD 4.42Å; Y33-K37 WeakPolarHBondContact O-CB 3.4Å; Y33-K37 PolarHBondContact O-N 3.29Å; Y33-C47 WeakPolarHBondContact OH-CB 3.46Å; Y33-C47 PolarHBondContact OH-SG 2.87Å |
| 34 | S | 72.4 | Confident | 70.1 | Confident | 24 Ų | 24 | 90.8 Ų | 90.8 | 17% | 0.168 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 179.9 | -59 | 0 | 0 | 0 | 0 | 111.5 | F30 S31 T36 K37 D38 | F30-S34 VanDerWaalsContact O-CB 3.27Å; F30-S34 WeakPolarHBondContact O-CB 3.34Å; F30-S34 PolarHBondContact O-N 2.84Å; F30-S34 PolarHBondContact O-OG 3.01Å; S31-S34 PolarHBondContact O-N 2.81Å; S34-T36 PolarHBondContact O-N 3.49Å; S34-K37 PolarHBondContact O-N 3.37Å; S34-D38 WeakPolarHBondContact O-CB 3.17Å; S34-D38 VanDerWaalsContact O-CG 3.31Å; S34-D38 PolarHBondContact O-N 3Å |
| 35 | N | 71.9 | Confident | 70.6 | Confident | 94 Ų | 94 | 92 Ų | 92 | 50% | 0.503 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.5 | -37.7 | 176.3 | -168.1 | 22.6 | 0 | 0 | 0 | 112.2 | S31 N39 | S31-N35 WeakPolarHBondContact O-CB 3.48Å; S31-N35 PolarHBondContact O-N 3.33Å; N35-N39 VanDerWaalsContact O-CB 3.28Å; N35-N39 WeakPolarHBondContact O-CB 3.38Å; N35-N39 PolarHBondContact O-N 3.27Å; N35-N39 VanDerWaalsContact O-N 3.07Å; N35-N39 PolarHBondContact O-ND2 2.91Å; N35-N39 VanDerWaalsContact O-ND2 3.15Å; N35-N39 PolarHBondContact OD1-ND2 3.37Å |
| 36 | T | 71.8 | Confident | 70.9 | Confident | 66 Ų | 66 | 93.4 Ų | 93.4 | 41% | 0.405 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.2 | -38.4 | 175.4 | -55.6 | 0 | 0 | 0 | 0 | 111.9 | V32 Y33 S34 H40 | V32-T36 WeakPolarHBondContact O-CB 3.27Å; V32-T36 PolarHBondContact O-N 2.91Å; V32-T36 PolarHBondContact O-OG1 3.43Å; Y33-T36 PolarHBondContact O-N 2.86Å; S34-T36 PolarHBondContact O-N 3.49Å; T36-H40 PolarHBondContact O-N 3.38Å |
| 37 | K | 76.7 | Confident | 71.2 | Confident | 28 Ų | 28 | 87 Ų | 87 | 12% | 0.122 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 175.1 | -175.8 | 179.1 | 64 | 171.5 | 0 | 111.6 | Y33 S34 R44 C47 E51 | Y33-K37 HydrophobicContact CE1-CD 4.42Å; Y33-K37 WeakPolarHBondContact O-CB 3.4Å; Y33-K37 PolarHBondContact O-N 3.29Å; S34-K37 PolarHBondContact O-N 3.37Å; K37-R44 HydrophobicContact CG-CB 4.42Å; K37-R44 HydrophobicContact CG-CG 4.34Å; K37-C47 HydrophobicContact CD-CB 3.98Å; K37-C47 HydrophobicContact CG-CB 4.25Å; K37-E51 IonicContact NZ-OE1 3.7Å; K37-E51 PolarHBondContact NZ-OE1 3.47Å; K37-E51 IonicContact NZ-OE2 2.94Å |
| 38 | D | 74.1 | Confident | 71.7 | Confident | 89 Ų | 89 | 87.6 Ų | 87.6 | 48% | 0.476 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -76.4 | -27.6 | -176.4 | -70.1 | -30.8 | 0 | 0 | 0 | 112.8 | S34 R44 | S34-D38 WeakPolarHBondContact O-CB 3.17Å; S34-D38 VanDerWaalsContact O-CG 3.31Å; S34-D38 PolarHBondContact O-N 3Å; D38-R44 IonicContact OD1-CZ 3.79Å; D38-R44 IonicContact OD1-NH1 2.72Å; D38-R44 PolarHBondContact OD1-NH1 3.37Å |
| 39 | N | 73.1 | Confident | 71.7 | Confident | 107 Ų | 107 | 85.2 Ų | 85.2 | 57% | 0.572 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -83 | -12.8 | 178.2 | -68.4 | -16.8 | 0 | 0 | 0 | 114.6 | N35 | N35-N39 VanDerWaalsContact O-CB 3.28Å; N35-N39 WeakPolarHBondContact O-CB 3.38Å; N35-N39 PolarHBondContact O-N 3.27Å; N35-N39 VanDerWaalsContact O-N 3.07Å; N35-N39 PolarHBondContact O-ND2 2.91Å; N35-N39 VanDerWaalsContact O-ND2 3.15Å; N35-N39 PolarHBondContact OD1-ND2 3.37Å |
| 40 | H | 65 | Low | 71.6 | Confident | 103 Ų | 103 | 83.7 Ų | 83.7 | 48% | 0.477 | 45% | 0.453 | S | S | . | . | trans | -125.9 | 103.7 | -179.1 | -76.4 | -60.9 | 0 | 0 | 0 | 113.1 | T36 Y42 I43 R44 | T36-H40 PolarHBondContact O-N 3.38Å; H40-Y42 VanDerWaalsContact C-N 3.26Å; H40-Y42 PolarHBondContact O-N 3.32Å; H40-Y42 VanDerWaalsContact O-N 3.13Å; H40-I43 HydrophobicContact CB-CB 4.1Å; H40-I43 HydrophobicContact CB-CD1 3.86Å; H40-I43 HydrophobicContact CB-CG1 4.05Å; H40-I43 PolarHBondContact O-N 2.93Å; H40-I43 VanDerWaalsContact O-N 3.12Å; H40-R44 PolarHBondContact O-N 3.39Å | ||
| 41 | P | 69.8 | Low | 71.8 | Confident | 93 Ų | 93 | 80.2 Ų | 80.2 | 60% | 0.604 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -56.2 | -33.6 | -176.4 | -25.6 | 32.3 | 0 | 0 | 0 | 115.1 | ||
| 42 | Y | 62.5 | Low | 72 | Confident | 206 Ų | 206 | 82 Ų | 82 | 81% | 0.808 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -75 | -36.7 | -179.8 | -67.9 | -78.3 | 0 | 0 | 0 | 113 | H40 | H40-Y42 VanDerWaalsContact C-N 3.26Å; H40-Y42 PolarHBondContact O-N 3.32Å; H40-Y42 VanDerWaalsContact O-N 3.13Å |
| 43 | I | 71.1 | Confident | 71.9 | Confident | 76 Ų | 76 | 79.4 Ų | 79.4 | 39% | 0.39 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -75 | -33.9 | 178.7 | -60.8 | 175.9 | 0 | 0 | 0 | 109.8 | H40 S45 V46 C47 | H40-I43 HydrophobicContact CB-CB 4.1Å; H40-I43 HydrophobicContact CB-CD1 3.86Å; H40-I43 HydrophobicContact CB-CG1 4.05Å; H40-I43 PolarHBondContact O-N 2.93Å; H40-I43 VanDerWaalsContact O-N 3.12Å; I43-S45 PolarHBondContact O-N 3.34Å; I43-V46 PolarHBondContact O-N 3.44Å; I43-C47 WeakPolarHBondContact O-CB 3.32Å; I43-C47 PolarHBondContact O-N 3.46Å; I43-C47 PolarHBondContact O-SG 2.66Å |
| 44 | R | 75.8 | Confident | 71.7 | Confident | 96 Ų | 96 | 79.2 Ų | 79.2 | 36% | 0.362 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -51 | -51.2 | 175.2 | -171.4 | -177 | -177.7 | 93.5 | 15.7 | 112.8 | K37 D38 H40 V46 C47 E48 | K37-R44 HydrophobicContact CG-CB 4.42Å; K37-R44 HydrophobicContact CG-CG 4.34Å; D38-R44 IonicContact OD1-CZ 3.79Å; D38-R44 IonicContact OD1-NH1 2.72Å; D38-R44 PolarHBondContact OD1-NH1 3.37Å; H40-R44 PolarHBondContact O-N 3.39Å; R44-V46 PolarHBondContact O-N 2.9Å; R44-C47 PolarHBondContact O-N 3.1Å; R44-E48 HydrophobicContact CG-CG 4.34Å; R44-E48 IonicContact CZ-OE1 3.27Å; R44-E48 VanDerWaalsContact CZ-OE1 3.27Å; R44-E48 IonicContact NE-OE1 2.85Å; R44-E48 PolarHBondContact NE-OE1 3.43Å; R44-E48 IonicContact NH2-OE1 2.95Å; R44-E48 PolarHBondContact NH2-OE1 3.41Å; R44-E48 WeakPolarHBondContact O-CB 3.46Å; R44-E48 VanDerWaalsContact O-CG 3.31Å; R44-E48 WeakPolarHBondContact O-CG 3.16Å; R44-E48 PolarHBondContact O-N 2.95Å |
| 45 | S | 71.8 | Confident | 71.8 | Confident | 77 Ų | 77 | 84.9 Ų | 84.9 | 54% | 0.538 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.2 | -38.9 | -174.9 | -58.9 | 0 | 0 | 0 | 0 | 112.6 | I43 A49 | I43-S45 PolarHBondContact O-N 3.34Å; S45-A49 PolarHBondContact O-N 3.43Å; S45-A49 VanDerWaalsContact O-N 3.11Å |
| 46 | V | 69.6 | Low | 71.7 | Confident | 106 Ų | 106 | 83.7 Ų | 83.7 | 64% | 0.642 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -72.6 | -40.7 | 178.5 | 178.8 | 0 | 0 | 0 | 0 | 111.1 | I43 R44 A49 A50 | I43-V46 PolarHBondContact O-N 3.44Å; R44-V46 PolarHBondContact O-N 2.9Å; V46-A49 PolarHBondContact O-N 2.9Å; V46-A50 PolarHBondContact O-N 2.7Å |
| 47 | C | 69.4 | Low | 71.5 | Confident | 22 Ų | 22 | 86.3 Ų | 86.3 | 15% | 0.149 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -67.2 | -39.8 | 175 | -72.7 | 0 | 0 | 0 | 0 | 112.2 | Y33 K37 I43 R44 A49 A50 E51 | Y33-C47 WeakPolarHBondContact OH-CB 3.46Å; Y33-C47 PolarHBondContact OH-SG 2.87Å; K37-C47 HydrophobicContact CD-CB 3.98Å; K37-C47 HydrophobicContact CG-CB 4.25Å; I43-C47 WeakPolarHBondContact O-CB 3.32Å; I43-C47 PolarHBondContact O-N 3.46Å; I43-C47 PolarHBondContact O-SG 2.66Å; R44-C47 PolarHBondContact O-N 3.1Å; C47-A49 VanDerWaalsContact C-N 3.34Å; C47-A49 PolarHBondContact O-N 3.46Å; C47-A50 PolarHBondContact O-N 3.11Å; C47-E51 WeakPolarHBondContact O-CB 3.24Å; C47-E51 VanDerWaalsContact O-CG 3.32Å; C47-E51 WeakPolarHBondContact O-CG 3.41Å; C47-E51 PolarHBondContact O-N 3.45Å |
| 48 | E | 77.9 | Confident | 70.8 | Confident | 77 Ų | 77 | 89 Ų | 89 | 36% | 0.36 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 174.7 | -78.8 | 177.7 | 177.5 | 0 | 0 | 111.5 | R44 E51 Q52 | R44-E48 HydrophobicContact CG-CG 4.34Å; R44-E48 IonicContact CZ-OE1 3.27Å; R44-E48 VanDerWaalsContact CZ-OE1 3.27Å; R44-E48 IonicContact NE-OE1 2.85Å; R44-E48 PolarHBondContact NE-OE1 3.43Å; R44-E48 IonicContact NH2-OE1 2.95Å; R44-E48 PolarHBondContact NH2-OE1 3.41Å; R44-E48 WeakPolarHBondContact O-CB 3.46Å; R44-E48 VanDerWaalsContact O-CG 3.31Å; R44-E48 WeakPolarHBondContact O-CG 3.16Å; R44-E48 PolarHBondContact O-N 2.95Å; E48-E51 PolarHBondContact O-N 3.48Å; E48-Q52 VanDerWaalsContact O-CB 3.27Å; E48-Q52 WeakPolarHBondContact O-CB 3.16Å; E48-Q52 PolarHBondContact O-N 2.82Å |
| 49 | A | 72.9 | Confident | 70.5 | Confident | 67 Ų | 67 | 87.6 Ų | 87.6 | 55% | 0.554 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64 | -41.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S45 V46 C47 Q52 G53 | S45-A49 PolarHBondContact O-N 3.43Å; S45-A49 VanDerWaalsContact O-N 3.11Å; V46-A49 PolarHBondContact O-N 2.9Å; C47-A49 VanDerWaalsContact C-N 3.34Å; C47-A49 PolarHBondContact O-N 3.46Å; A49-Q52 PolarHBondContact O-N 3.27Å; A49-G53 PolarHBondContact O-N 2.82Å |
| 50 | A | 68.8 | Low | 70.2 | Confident | 57 Ų | 57 | 86.3 Ų | 86.3 | 47% | 0.471 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.3 | -45.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V46 C47 Q52 G53 V54 | V46-A50 PolarHBondContact O-N 2.7Å; C47-A50 PolarHBondContact O-N 3.11Å; A50-Q52 VanDerWaalsContact C-N 3.3Å; A50-Q52 PolarHBondContact O-N 3.03Å; A50-G53 PolarHBondContact O-N 3.43Å; A50-V54 WeakPolarHBondContact O-CG2 3.29Å; A50-V54 PolarHBondContact O-N 2.88Å |
| 51 | E | 77.5 | Confident | 70 | Confident | 41 Ų | 41 | 84 Ų | 84 | 19% | 0.192 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -60 | -41.5 | 175.4 | -75.7 | -178.5 | -152.5 | 0 | 0 | 111.3 | K37 C47 E48 V54 R55 | K37-E51 IonicContact NZ-OE1 3.7Å; K37-E51 PolarHBondContact NZ-OE1 3.47Å; K37-E51 IonicContact NZ-OE2 2.94Å; C47-E51 WeakPolarHBondContact O-CB 3.24Å; C47-E51 VanDerWaalsContact O-CG 3.32Å; C47-E51 WeakPolarHBondContact O-CG 3.41Å; C47-E51 PolarHBondContact O-N 3.45Å; E48-E51 PolarHBondContact O-N 3.48Å; E51-V54 PolarHBondContact O-N 2.85Å; E51-R55 WeakPolarHBondContact O-CB 3.39Å; E51-R55 WeakPolarHBondContact O-CG 3.47Å; E51-R55 PolarHBondContact O-N 3.03Å; E51-R55 IonicContact OE2-CZ 3.7Å; E51-R55 IonicContact OE2-NH1 3.93Å; E51-R55 PolarHBondContact OE2-NH1 3.32Å; E51-R55 IonicContact OE2-NH2 2.66Å |
| 52 | Q | 74.8 | Confident | 69.8 | Low | 112 Ų | 112 | 85 Ų | 85 | 52% | 0.523 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.4 | -37.3 | 177.5 | -164.8 | 63.5 | 11.9 | 0 | 0 | 112 | E48 A49 A50 R55 T56 | E48-Q52 VanDerWaalsContact O-CB 3.27Å; E48-Q52 WeakPolarHBondContact O-CB 3.16Å; E48-Q52 PolarHBondContact O-N 2.82Å; A49-Q52 PolarHBondContact O-N 3.27Å; A50-Q52 VanDerWaalsContact C-N 3.3Å; A50-Q52 PolarHBondContact O-N 3.03Å; Q52-R55 PolarHBondContact O-N 3.42Å; Q52-T56 WeakPolarHBondContact O-CB 3.34Å; Q52-T56 PolarHBondContact O-N 2.86Å; Q52-T56 PolarHBondContact O-OG1 3.35Å |
| 53 | G | 68.9 | Low | 70 | Confident | 30 Ų | 30 | 80.4 Ų | 80.4 | 31% | 0.309 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.2 | -46.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A49 A50 T56 I57 | A49-G53 PolarHBondContact O-N 2.82Å; A50-G53 PolarHBondContact O-N 3.43Å; G53-T56 PolarHBondContact O-N 3.22Å; G53-I57 VanDerWaalsContact O-CG1 3.29Å; G53-I57 WeakPolarHBondContact O-CG1 3.29Å; G53-I57 PolarHBondContact O-N 3.4Å |
| 54 | V | 70.5 | Confident | 69.4 | Low | 92 Ų | 92 | 81.1 Ų | 81.1 | 56% | 0.558 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.4 | -47.2 | 176.5 | 174.9 | 0 | 0 | 0 | 0 | 111 | A50 E51 T56 I57 T58 | A50-V54 WeakPolarHBondContact O-CG2 3.29Å; A50-V54 PolarHBondContact O-N 2.88Å; E51-V54 PolarHBondContact O-N 2.85Å; V54-T56 VanDerWaalsContact C-N 3.26Å; V54-T56 PolarHBondContact O-N 2.93Å; V54-I57 PolarHBondContact O-N 3.13Å; V54-T58 WeakPolarHBondContact O-CB 3.49Å; V54-T58 PolarHBondContact O-N 3.37Å; V54-T58 PolarHBondContact O-OG1 3.46Å |
| 55 | R | 73.2 | Confident | 68.4 | Low | 144 Ų | 144 | 78.1 Ų | 78.1 | 54% | 0.543 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -56.9 | -40.6 | 175.7 | -75.5 | -178.1 | -176.2 | 110.1 | 7.5 | 112.1 | E51 Q52 S59 | E51-R55 WeakPolarHBondContact O-CB 3.39Å; E51-R55 WeakPolarHBondContact O-CG 3.47Å; E51-R55 PolarHBondContact O-N 3.03Å; E51-R55 IonicContact OE2-CZ 3.7Å; E51-R55 IonicContact OE2-NH1 3.93Å; E51-R55 PolarHBondContact OE2-NH1 3.32Å; E51-R55 IonicContact OE2-NH2 2.66Å; Q52-R55 PolarHBondContact O-N 3.42Å; R55-S59 WeakPolarHBondContact O-CB 3.39Å; R55-S59 PolarHBondContact O-N 2.84Å; R55-S59 PolarHBondContact O-OG 2.76Å |
| 56 | T | 71.4 | Confident | 67.8 | Low | 69 Ų | 69 | 78.1 Ų | 78.1 | 42% | 0.423 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66 | -49.4 | 178.4 | -54.1 | 0 | 0 | 0 | 0 | 110.7 | Q52 G53 V54 T58 S59 V60 | Q52-T56 WeakPolarHBondContact O-CB 3.34Å; Q52-T56 PolarHBondContact O-N 2.86Å; Q52-T56 PolarHBondContact O-OG1 3.35Å; G53-T56 PolarHBondContact O-N 3.22Å; V54-T56 VanDerWaalsContact C-N 3.26Å; V54-T56 PolarHBondContact O-N 2.93Å; T56-T58 PolarHBondContact O-N 3.48Å; T56-S59 PolarHBondContact O-N 2.88Å; T56-S59 PolarHBondContact O-OG 3.31Å; T56-V60 HydrophobicContact CG2-CG2 4.39Å; T56-V60 WeakPolarHBondContact O-CB 3.31Å; T56-V60 VanDerWaalsContact O-CG2 3.28Å; T56-V60 WeakPolarHBondContact O-CG2 3.39Å; T56-V60 PolarHBondContact O-N 2.97Å |
| 57 | I | 65.6 | Low | 67.2 | Low | 120 Ų | 120 | 77.4 Ų | 77.4 | 62% | 0.615 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -60.7 | -44.5 | 177.5 | -65.7 | 164.7 | 0 | 0 | 0 | 110.8 | G53 V54 V60 A61 | G53-I57 VanDerWaalsContact O-CG1 3.29Å; G53-I57 WeakPolarHBondContact O-CG1 3.29Å; G53-I57 PolarHBondContact O-N 3.4Å; V54-I57 PolarHBondContact O-N 3.13Å; I57-V60 PolarHBondContact O-N 3.29Å; I57-A61 WeakPolarHBondContact O-CB 3.34Å; I57-A61 PolarHBondContact O-N 3.49Å |
| 58 | T | 62.9 | Low | 66.6 | Low | 85 Ų | 85 | 81 Ų | 81 | 52% | 0.521 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 177.1 | -59.4 | 0 | 0 | 0 | 0 | 111.6 | V54 T56 A61 L62 | V54-T58 WeakPolarHBondContact O-CB 3.49Å; V54-T58 PolarHBondContact O-N 3.37Å; V54-T58 PolarHBondContact O-OG1 3.46Å; T56-T58 PolarHBondContact O-N 3.48Å; T58-A61 PolarHBondContact O-N 2.88Å; T58-L62 VanDerWaalsContact O-CB 3.24Å; T58-L62 WeakPolarHBondContact O-CB 3.36Å; T58-L62 PolarHBondContact O-N 3.3Å |
| 59 | S | 68.3 | Low | 65.7 | Low | 59 Ų | 59 | 80.9 Ų | 80.9 | 41% | 0.413 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.9 | -44.4 | 177.2 | 71.8 | 0 | 0 | 0 | 0 | 111.9 | R55 T56 L62 T63 | R55-S59 WeakPolarHBondContact O-CB 3.39Å; R55-S59 PolarHBondContact O-N 2.84Å; R55-S59 PolarHBondContact O-OG 2.76Å; T56-S59 PolarHBondContact O-N 2.88Å; T56-S59 PolarHBondContact O-OG 3.31Å; S59-L62 PolarHBondContact O-N 3.47Å; S59-T63 WeakPolarHBondContact O-CB 3.5Å; S59-T63 PolarHBondContact O-N 2.71Å; S59-T63 PolarHBondContact O-OG1 3.29Å |
| 60 | V | 67.3 | Low | 65.1 | Low | 81 Ų | 81 | 80 Ų | 80 | 49% | 0.491 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67 | -41.4 | 179.1 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | T56 I57 T63 T64 | T56-V60 HydrophobicContact CG2-CG2 4.39Å; T56-V60 WeakPolarHBondContact O-CB 3.31Å; T56-V60 VanDerWaalsContact O-CG2 3.28Å; T56-V60 WeakPolarHBondContact O-CG2 3.39Å; T56-V60 PolarHBondContact O-N 2.97Å; I57-V60 PolarHBondContact O-N 3.29Å; V60-T63 PolarHBondContact O-N 2.93Å; V60-T64 WeakPolarHBondContact O-CB 3.48Å; V60-T64 PolarHBondContact O-N 3.29Å; V60-T64 PolarHBondContact O-OG1 3.45Å |
| 61 | A | 60.5 | Low | 64.5 | Low | 53 Ų | 53 | 86.2 Ų | 86.2 | 44% | 0.438 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.2 | -44.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I57 T58 T63 T64 A65 | I57-A61 WeakPolarHBondContact O-CB 3.34Å; I57-A61 PolarHBondContact O-N 3.49Å; T58-A61 PolarHBondContact O-N 2.88Å; A61-T63 PolarHBondContact O-N 3.48Å; A61-T64 PolarHBondContact O-N 2.94Å; A61-A65 WeakPolarHBondContact O-CA 3.43Å; A61-A65 WeakPolarHBondContact O-CB 3.4Å; A61-A65 PolarHBondContact O-N 2.95Å |
| 62 | L | 65.9 | Low | 63.6 | Low | 115 Ų | 115 | 87.6 Ų | 87.6 | 60% | 0.602 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.4 | -42.8 | 178 | -172.8 | 65.6 | 0 | 0 | 0 | 111.4 | T58 S59 S66 | T58-L62 VanDerWaalsContact O-CB 3.24Å; T58-L62 WeakPolarHBondContact O-CB 3.36Å; T58-L62 PolarHBondContact O-N 3.3Å; S59-L62 PolarHBondContact O-N 3.47Å; L62-S66 WeakPolarHBondContact O-CB 3.37Å; L62-S66 PolarHBondContact O-N 2.93Å |
| 63 | T | 65.1 | Low | 62.8 | Low | 109 Ų | 109 | 87.6 Ų | 87.6 | 67% | 0.669 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69.9 | -37.2 | 180 | -35.8 | 0 | 0 | 0 | 0 | 111.8 | S59 V60 A61 | S59-T63 WeakPolarHBondContact O-CB 3.5Å; S59-T63 PolarHBondContact O-N 2.71Å; S59-T63 PolarHBondContact O-OG1 3.29Å; V60-T63 PolarHBondContact O-N 2.93Å; A61-T63 PolarHBondContact O-N 3.48Å |
| 64 | T | 59.9 | Low | 62.5 | Low | 92 Ų | 92 | 90 Ų | 90 | 56% | 0.564 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -79.3 | -33 | -179.6 | -51.8 | 0 | 0 | 0 | 0 | 112.1 | V60 A61 P67 | V60-T64 WeakPolarHBondContact O-CB 3.48Å; V60-T64 PolarHBondContact O-N 3.29Å; V60-T64 PolarHBondContact O-OG1 3.45Å; A61-T64 PolarHBondContact O-N 2.94Å; T64-P67 WeakPolarHBondContact O-CD 3.36Å |
| 65 | A | 53.6 | Low | 61.8 | Low | 32 Ų | 32 | 92.2 Ų | 92.2 | 26% | 0.264 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -90.3 | -15.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A61 P67 I68 I69 | A61-A65 WeakPolarHBondContact O-CA 3.43Å; A61-A65 WeakPolarHBondContact O-CB 3.4Å; A61-A65 PolarHBondContact O-N 2.95Å; A65-P67 VanDerWaalsContact C-CD 3.47Å; A65-I68 PolarHBondContact O-N 2.93Å; A65-I69 HydrophobicContact CB-CD1 3.88Å; A65-I69 HydrophobicContact CB-CG1 4.38Å; A65-I69 WeakPolarHBondContact O-CB 3.24Å; A65-I69 WeakPolarHBondContact O-CG1 3.27Å; A65-I69 PolarHBondContact O-N 3.47Å |
| 66 | S | 59.5 | Low | 61.3 | Low | 77 Ų | 77 | 89.6 Ų | 89.6 | 54% | 0.538 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -49.5 | -44.7 | 177.5 | -152.7 | 0 | 0 | 0 | 0 | 114.7 | L62 I68 G70 | L62-S66 WeakPolarHBondContact O-CB 3.37Å; L62-S66 PolarHBondContact O-N 2.93Å; S66-I68 VanDerWaalsContact C-N 3.32Å; S66-I68 PolarHBondContact O-N 3.22Å; S66-G70 PolarHBondContact O-N 3.27Å |
| 67 | P | 56.7 | Low | 60.9 | Low | 91 Ų | 91 | 88.2 Ų | 88.2 | 59% | 0.591 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -75.5 | -19.5 | 178.4 | 28.7 | -34.3 | 0 | 0 | 0 | 113.8 | T64 A65 | T64-P67 WeakPolarHBondContact O-CD 3.36Å; A65-P67 VanDerWaalsContact C-CD 3.47Å |
| 68 | I | 57.7 | Low | 60.9 | Low | 98 Ų | 98 | 88.4 Ų | 88.4 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -88.6 | -40.2 | -178.8 | -64.6 | 170 | 0 | 0 | 0 | 110.2 | A65 S66 G70 K71 L72 | A65-I68 PolarHBondContact O-N 2.93Å; S66-I68 VanDerWaalsContact C-N 3.32Å; S66-I68 PolarHBondContact O-N 3.22Å; I68-G70 VanDerWaalsContact C-N 3.33Å; I68-G70 PolarHBondContact O-N 3.47Å; I68-K71 PolarHBondContact O-N 3.48Å; I68-K71 VanDerWaalsContact O-N 3.09Å; I68-L72 HydrophobicContact CG2-CD1 3.53Å; I68-L72 PolarHBondContact O-N 2.65Å; I68-L72 VanDerWaalsContact O-N 3.13Å |
| 69 | I | 58.8 | Low | 60.8 | Low | 75 Ų | 75 | 87.1 Ų | 87.1 | 39% | 0.385 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.4 | -43.1 | 174.6 | -79.7 | 164.5 | 0 | 0 | 0 | 111 | A65 K71 L72 E73 | A65-I69 HydrophobicContact CB-CD1 3.88Å; A65-I69 HydrophobicContact CB-CG1 4.38Å; A65-I69 WeakPolarHBondContact O-CB 3.24Å; A65-I69 WeakPolarHBondContact O-CG1 3.27Å; A65-I69 PolarHBondContact O-N 3.47Å; I69-K71 PolarHBondContact O-N 2.97Å; I69-L72 CarbonylContact O-C 3.59Å; I69-L72 PolarHBondContact O-N 3.33Å; I69-E73 PolarHBondContact O-N 3.11Å |
| 70 | G | 60.6 | Low | 60.7 | Low | 49 Ų | 49 | 86 Ų | 86 | 51% | 0.505 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.7 | -24.8 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | S66 I68 | S66-G70 PolarHBondContact O-N 3.27Å; I68-G70 VanDerWaalsContact C-N 3.33Å; I68-G70 PolarHBondContact O-N 3.47Å |
| 71 | K | 56.9 | Low | 60.7 | Low | 187 Ų | 187 | 86 Ų | 86 | 81% | 0.813 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -88.4 | -18.8 | 174.6 | -68.6 | -154.7 | 175 | -171.8 | 0 | 113.7 | I68 I69 | I68-K71 PolarHBondContact O-N 3.48Å; I68-K71 VanDerWaalsContact O-N 3.09Å; I69-K71 PolarHBondContact O-N 2.97Å |
| 72 | L | 56.8 | Low | 60.8 | Low | 70 Ų | 70 | 89.4 Ų | 89.4 | 37% | 0.366 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -103.1 | -5.1 | 179.6 | -80.5 | 146.1 | 0 | 0 | 0 | 113.3 | I68 I69 P74 Q75 I76 | I68-L72 HydrophobicContact CG2-CD1 3.53Å; I68-L72 PolarHBondContact O-N 2.65Å; I68-L72 VanDerWaalsContact O-N 3.13Å; I69-L72 CarbonylContact O-C 3.59Å; I69-L72 PolarHBondContact O-N 3.33Å; L72-P74 VanDerWaalsContact C-N 3.28Å; L72-P74 VanDerWaalsContact O-N 3.15Å; L72-Q75 PolarHBondContact O-N 2.98Å; L72-I76 HydrophobicContact CB-CD1 3.98Å; L72-I76 HydrophobicContact CB-CG1 4.37Å; L72-I76 WeakPolarHBondContact O-CG1 3.49Å; L72-I76 PolarHBondContact O-N 3.49Å |
| 73 | E | 58 | Low | 60.5 | Low | 112 Ų | 112 | 86 Ų | 86 | 52% | 0.523 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -40.9 | -46.2 | 174.1 | -166.7 | 97 | -152.4 | 0 | 0 | 113.5 | I69 Q75 I76 A77 | I69-E73 PolarHBondContact O-N 3.11Å; E73-Q75 PolarHBondContact O-N 3.39Å; E73-I76 PolarHBondContact O-N 3.39Å; E73-A77 VanDerWaalsContact O-CB 3.31Å; E73-A77 WeakPolarHBondContact O-CB 3.28Å; E73-A77 PolarHBondContact O-N 2.96Å |
| 74 | P | 64.2 | Low | 60.1 | Low | 81 Ų | 81 | 81.7 Ų | 81.7 | 53% | 0.526 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.9 | -34.1 | -178.5 | -16 | 31 | 0 | 0 | 0 | 112.8 | L72 I78 | L72-P74 VanDerWaalsContact C-N 3.28Å; L72-P74 VanDerWaalsContact O-N 3.15Å; P74-I78 WeakPolarHBondContact O-CD1 3.28Å; P74-I78 WeakPolarHBondContact O-CG1 3.42Å; P74-I78 PolarHBondContact O-N 2.98Å |
| 75 | Q | 55.5 | Low | 60.5 | Low | 137 Ų | 137 | 83 Ų | 83 | 64% | 0.64 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -80.5 | -35.5 | 179.4 | -64.3 | -170.1 | 3.3 | 0 | 0 | 111.8 | L72 E73 A77 I78 A79 | L72-Q75 PolarHBondContact O-N 2.98Å; E73-Q75 PolarHBondContact O-N 3.39Å; Q75-A77 VanDerWaalsContact C-N 3.32Å; Q75-I78 PolarHBondContact O-N 3.15Å; Q75-A79 PolarHBondContact O-N 2.91Å |
| 76 | I | 61.8 | Low | 61.1 | Low | 89 Ų | 89 | 83.1 Ų | 83.1 | 46% | 0.456 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.3 | -38.7 | 173.4 | -64.4 | 168 | 0 | 0 | 0 | 109.9 | L72 E73 A79 N80 | L72-I76 HydrophobicContact CB-CD1 3.98Å; L72-I76 HydrophobicContact CB-CG1 4.37Å; L72-I76 WeakPolarHBondContact O-CG1 3.49Å; L72-I76 PolarHBondContact O-N 3.49Å; E73-I76 PolarHBondContact O-N 3.39Å; I76-A79 PolarHBondContact O-N 3.15Å; I76-N80 WeakPolarHBondContact O-CB 3.38Å; I76-N80 PolarHBondContact O-N 2.93Å |
| 77 | A | 63 | Low | 61.2 | Low | 41 Ų | 41 | 80.6 Ų | 80.6 | 34% | 0.339 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.3 | -41.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | E73 Q75 N80 D81 | E73-A77 VanDerWaalsContact O-CB 3.31Å; E73-A77 WeakPolarHBondContact O-CB 3.28Å; E73-A77 PolarHBondContact O-N 2.96Å; Q75-A77 VanDerWaalsContact C-N 3.32Å; A77-N80 PolarHBondContact O-N 2.6Å; A77-D81 WeakPolarHBondContact O-CB 3.15Å; A77-D81 PolarHBondContact O-N 3.23Å |
| 78 | I | 65.2 | Low | 61.6 | Low | 124 Ų | 124 | 79 Ų | 79 | 64% | 0.636 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -66.2 | -42.5 | 176.5 | -65.3 | 164.4 | 0 | 0 | 0 | 111 | P74 Q75 D81 L82 | P74-I78 WeakPolarHBondContact O-CD1 3.28Å; P74-I78 WeakPolarHBondContact O-CG1 3.42Å; P74-I78 PolarHBondContact O-N 2.98Å; Q75-I78 PolarHBondContact O-N 3.15Å; I78-D81 PolarHBondContact O-N 3.4Å; I78-L82 WeakPolarHBondContact O-CB 3.46Å; I78-L82 PolarHBondContact O-N 2.92Å |
| 79 | A | 61.9 | Low | 61.8 | Low | 58 Ų | 58 | 81.8 Ų | 81.8 | 48% | 0.479 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.7 | -37.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q75 I76 L82 A83 | Q75-A79 PolarHBondContact O-N 2.91Å; I76-A79 PolarHBondContact O-N 3.15Å; A79-L82 PolarHBondContact O-N 3.02Å; A79-A83 VanDerWaalsContact O-CB 3.3Å; A79-A83 WeakPolarHBondContact O-CB 3.41Å; A79-A83 PolarHBondContact O-N 2.71Å |
| 80 | N | 66.1 | Low | 61.9 | Low | 35 Ų | 35 | 82.4 Ų | 82.4 | 19% | 0.187 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -66 | -41.9 | 175.4 | -169.8 | 63.4 | 0 | 0 | 0 | 111.2 | Q10 V12 I76 A77 A83 C84 | Q10-N80 PolarHBondContact O-ND2 3.47Å; V12-N80 WeakPolarHBondContact CG2-O 3.32Å; V12-N80 WeakPolarHBondContact CG2-OD1 3.16Å; V12-N80 PolarHBondContact N-OD1 2.97Å; I76-N80 WeakPolarHBondContact O-CB 3.38Å; I76-N80 PolarHBondContact O-N 2.93Å; A77-N80 PolarHBondContact O-N 2.6Å; N80-A83 PolarHBondContact O-N 2.87Å; N80-C84 VanDerWaalsContact O-CB 3.3Å; N80-C84 WeakPolarHBondContact O-CB 3.29Å; N80-C84 PolarHBondContact O-N 3.02Å; N80-C84 PolarHBondContact O-SG 2.79Å; N80-C84 VanDerWaalsContact O-SG 3.32Å |
| 81 | D | 66.8 | Low | 61.7 | Low | 81 Ų | 81 | 83.3 Ų | 83.3 | 43% | 0.433 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.6 | -41.5 | 174.3 | -176.8 | 62.8 | 0 | 0 | 0 | 112 | A77 I78 C84 K85 | A77-D81 WeakPolarHBondContact O-CB 3.15Å; A77-D81 PolarHBondContact O-N 3.23Å; I78-D81 PolarHBondContact O-N 3.4Å; D81-C84 PolarHBondContact O-N 2.9Å; D81-K85 WeakPolarHBondContact O-CG 3.42Å; D81-K85 PolarHBondContact O-N 2.85Å; D81-K85 IonicContact OD1-NZ 3.02Å; D81-K85 WeakPolarHBondContact OD2-CE 3.45Å; D81-K85 IonicContact OD2-NZ 3.27Å; D81-K85 PolarHBondContact OD2-NZ 3.44Å |
| 82 | L | 63.5 | Low | 61.9 | Low | 125 Ų | 125 | 82.9 Ų | 82.9 | 65% | 0.654 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -65.7 | -40.7 | 176.1 | -173.5 | 67.8 | 0 | 0 | 0 | 112.2 | I78 A79 K85 G86 | I78-L82 WeakPolarHBondContact O-CB 3.46Å; I78-L82 PolarHBondContact O-N 2.92Å; A79-L82 PolarHBondContact O-N 3.02Å; L82-K85 PolarHBondContact O-N 3.5Å; L82-G86 PolarHBondContact O-N 2.79Å |
| 83 | A | 58.2 | Low | 61.8 | Low | 44 Ų | 44 | 84.4 Ų | 84.4 | 36% | 0.364 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -71.5 | -35.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V12 A79 N80 G86 L87 | V12-A83 HydrophobicContact CB-CB 4.48Å; V12-A83 HydrophobicContact CG1-CB 4.33Å; V12-A83 HydrophobicContact CG2-CB 3.59Å; A79-A83 VanDerWaalsContact O-CB 3.3Å; A79-A83 WeakPolarHBondContact O-CB 3.41Å; A79-A83 PolarHBondContact O-N 2.71Å; N80-A83 PolarHBondContact O-N 2.87Å; A83-G86 PolarHBondContact O-N 2.95Å; A83-L87 WeakPolarHBondContact O-CB 3.16Å; A83-L87 PolarHBondContact O-N 3.46Å |
| 84 | C | 58.3 | Low | 61.5 | Low | 17 Ų | 17 | 83 Ų | 83 | 12% | 0.115 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -61 | -43.1 | 169.8 | -81 | 0 | 0 | 0 | 0 | 111.4 | V12 N80 D81 G86 L87 D88 | V12-C84 HydrophobicContact CG2-CB 4.48Å; V12-C84 VanDerWaalsContact CG2-SG 3.52Å; N80-C84 VanDerWaalsContact O-CB 3.3Å; N80-C84 WeakPolarHBondContact O-CB 3.29Å; N80-C84 PolarHBondContact O-N 3.02Å; N80-C84 PolarHBondContact O-SG 2.79Å; N80-C84 VanDerWaalsContact O-SG 3.32Å; D81-C84 PolarHBondContact O-N 2.9Å; C84-G86 VanDerWaalsContact C-N 3.34Å; C84-G86 PolarHBondContact O-N 3.12Å; C84-L87 PolarHBondContact O-N 3.33Å; C84-D88 WeakPolarHBondContact O-CB 3.46Å; C84-D88 PolarHBondContact O-N 3.25Å |
| 85 | K | 68.3 | Low | 60.9 | Low | 121 Ų | 121 | 84.1 Ų | 84.1 | 53% | 0.526 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.9 | -35.8 | 173.8 | -75.5 | 167.9 | 178.2 | 159.3 | 0 | 112.8 | D81 L82 K89 | D81-K85 WeakPolarHBondContact O-CG 3.42Å; D81-K85 PolarHBondContact O-N 2.85Å; D81-K85 IonicContact OD1-NZ 3.02Å; D81-K85 WeakPolarHBondContact OD2-CE 3.45Å; D81-K85 IonicContact OD2-NZ 3.27Å; D81-K85 PolarHBondContact OD2-NZ 3.44Å; L82-K85 PolarHBondContact O-N 3.5Å; K85-K89 WeakPolarHBondContact O-CB 3.34Å; K85-K89 PolarHBondContact O-N 2.8Å; K85-K89 VanDerWaalsContact O-N 3.16Å |
| 86 | G | 66.2 | Low | 60.8 | Low | 33 Ų | 33 | 82.5 Ų | 82.5 | 34% | 0.34 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65 | -43.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L82 A83 C84 K89 I90 | L82-G86 PolarHBondContact O-N 2.79Å; A83-G86 PolarHBondContact O-N 2.95Å; C84-G86 VanDerWaalsContact C-N 3.34Å; C84-G86 PolarHBondContact O-N 3.12Å; G86-K89 WeakPolarHBondContact O-CB 3.17Å; G86-K89 PolarHBondContact O-N 2.83Å; G86-I90 WeakPolarHBondContact O-CG1 3.47Å; G86-I90 PolarHBondContact O-N 3.24Å |
| 87 | L | 60.3 | Low | 60.1 | Low | 25 Ų | 25 | 80.1 Ų | 80.1 | 13% | 0.131 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -65.6 | -42.9 | 177.3 | -170.2 | 62.9 | 0 | 0 | 0 | 111.5 | R15 V16 A83 C84 K89 I90 E91 | R15-L87 HydrophobicContact CB-CD2 3.97Å; V16-L87 HydrophobicContact CG2-CD1 4.21Å; V16-L87 HydrophobicContact CG2-CD2 3.94Å; A83-L87 WeakPolarHBondContact O-CB 3.16Å; A83-L87 PolarHBondContact O-N 3.46Å; C84-L87 PolarHBondContact O-N 3.33Å; L87-K89 PolarHBondContact O-N 3.07Å; L87-I90 CarbonylContact O-C 3.22Å; L87-I90 PolarHBondContact O-N 3.28Å; L87-E91 WeakPolarHBondContact O-CB 3.49Å; L87-E91 PolarHBondContact O-N 3.21Å |
| 88 | D | 65.7 | Low | 59.4 | Low | 58 Ų | 58 | 84.4 Ų | 84.4 | 31% | 0.31 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.5 | -35 | 174.3 | -69.8 | -9.3 | 0 | 0 | 0 | 112 | R15 C84 K92 | R15-D88 IonicContact CZ-OD1 3.51Å; R15-D88 VanDerWaalsContact CZ-OD1 3.27Å; R15-D88 IonicContact NH1-OD1 3.99Å; R15-D88 PolarHBondContact NH1-OD1 2.86Å; R15-D88 IonicContact NH2-OD1 3.67Å; R15-D88 PolarHBondContact NH2-OD1 3.28Å; C84-D88 WeakPolarHBondContact O-CB 3.46Å; C84-D88 PolarHBondContact O-N 3.25Å; D88-K92 WeakPolarHBondContact O-CB 3.49Å; D88-K92 VanDerWaalsContact O-CG 3.28Å; D88-K92 WeakPolarHBondContact O-CG 3.3Å; D88-K92 PolarHBondContact O-N 3.18Å |
| 89 | K | 62.4 | Low | 58.6 | Low | 156 Ų | 156 | 82.2 Ų | 82.2 | 68% | 0.678 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -72.1 | -35.7 | 176.9 | -161.7 | 174.5 | -177.7 | -178.9 | 0 | 111.3 | K85 G86 L87 T93 | K85-K89 WeakPolarHBondContact O-CB 3.34Å; K85-K89 PolarHBondContact O-N 2.8Å; K85-K89 VanDerWaalsContact O-N 3.16Å; G86-K89 WeakPolarHBondContact O-CB 3.17Å; G86-K89 PolarHBondContact O-N 2.83Å; L87-K89 PolarHBondContact O-N 3.07Å; K89-T93 WeakPolarHBondContact O-CB 3.49Å; K89-T93 PolarHBondContact O-N 3.39Å; K89-T93 PolarHBondContact O-OG1 3.22Å |
| 90 | I | 60.6 | Low | 57.9 | Low | 88 Ų | 88 | 83.1 Ų | 83.1 | 45% | 0.451 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -70.7 | -41.9 | 174.6 | -66.6 | 164.1 | 0 | 0 | 0 | 110.5 | G86 L87 K92 T93 L94 L97 | G86-I90 WeakPolarHBondContact O-CG1 3.47Å; G86-I90 PolarHBondContact O-N 3.24Å; L87-I90 CarbonylContact O-C 3.22Å; L87-I90 PolarHBondContact O-N 3.28Å; I90-K92 VanDerWaalsContact C-N 3.35Å; I90-K92 PolarHBondContact O-N 2.93Å; I90-T93 PolarHBondContact O-N 3.01Å; I90-T93 VanDerWaalsContact O-N 3.12Å; I90-L94 HydrophobicContact CG2-CD1 4.29Å; I90-L94 PolarHBondContact O-N 3.01Å; I90-L97 HydrophobicContact CG2-CD1 4.31Å |
| 91 | E | 56.5 | Low | 56.7 | Low | 67 Ų | 67 | 83.6 Ų | 83.6 | 31% | 0.313 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.3 | -39.7 | 177 | -168.1 | 172.3 | 175.9 | 0 | 0 | 111.7 | R15 L87 H98 | R15-E91 IonicContact NH2-OE2 3.44Å; R15-E91 PolarHBondContact NH2-OE2 3.44Å; L87-E91 WeakPolarHBondContact O-CB 3.49Å; L87-E91 PolarHBondContact O-N 3.21Å; E91-H98 IonicContact OE1-NE2 3.93Å |
| 92 | K | 59.8 | Low | 55.9 | Low | 179 Ų | 179 | 86.1 Ų | 86.1 | 78% | 0.778 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -71.5 | -25.6 | 173 | -74.3 | 174.3 | -178.2 | 172.8 | 0 | 114.3 | D88 I90 | D88-K92 WeakPolarHBondContact O-CB 3.49Å; D88-K92 VanDerWaalsContact O-CG 3.28Å; D88-K92 WeakPolarHBondContact O-CG 3.3Å; D88-K92 PolarHBondContact O-N 3.18Å; I90-K92 VanDerWaalsContact C-N 3.35Å; I90-K92 PolarHBondContact O-N 2.93Å |
| 93 | T | 56.2 | Low | 55.3 | Low | 101 Ų | 101 | 86.1 Ų | 86.1 | 62% | 0.62 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -92 | -19.3 | -176.5 | -50.4 | 0 | 0 | 0 | 0 | 112.2 | K89 I90 | K89-T93 WeakPolarHBondContact O-CB 3.49Å; K89-T93 PolarHBondContact O-N 3.39Å; K89-T93 PolarHBondContact O-OG1 3.22Å; I90-T93 PolarHBondContact O-N 3.01Å; I90-T93 VanDerWaalsContact O-N 3.12Å |
| 94 | L | 50.5 | Low | 54.7 | Low | 84 Ų | 84 | 89.2 Ų | 89.2 | 44% | 0.44 | 46% | 0.464 | S | S | . | . | trans | -133.5 | 81.4 | -176.2 | -68.7 | 171.2 | 0 | 0 | 0 | 112 | I90 I96 L97 | I90-L94 HydrophobicContact CG2-CD1 4.29Å; I90-L94 PolarHBondContact O-N 3.01Å; L94-I96 PolarHBondContact O-N 2.72Å; L94-L97 HydrophobicContact CB-CD1 4.33Å; L94-L97 PolarHBondContact O-N 3.47Å | ||
| 95 | P | 53.2 | Low | 54.1 | Low | 104 Ų | 104 | 93 Ų | 93 | 68% | 0.675 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -63.8 | -5.3 | 177.4 | 22.9 | -31.3 | 0 | 0 | 0 | 114.8 | L97 H98 | P95-L97 PolarHBondContact O-N 3.21Å; P95-H98 PolarHBondContact O-N 3.45Å |
| 96 | I | 52.2 | Low | 53.1 | Low | 103 Ų | 103 | 91 Ų | 91 | 53% | 0.528 | 49% | 0.488 | S | S | . | . | G | 310 helix | trans | -68.1 | -20.5 | 176.9 | -37.1 | 174.6 | 0 | 0 | 0 | 111.6 | L94 H98 Q99 | L94-I96 PolarHBondContact O-N 2.72Å; I96-H98 VanDerWaalsContact C-N 3.26Å; I96-H98 PolarHBondContact O-N 2.96Å; I96-Q99 PolarHBondContact O-N 3.41Å |
| 97 | L | 48 | Very low | 52.1 | Low | 38 Ų | 38 | 93.8 Ų | 93.8 | 20% | 0.199 | 50% | 0.502 | C | S | . | . | G | 310 helix | trans | -71.7 | -16.6 | 178.6 | -76 | 162.8 | 0 | 0 | 0 | 114 | L19 L21 I90 L94 P95 | L19-L97 HydrophobicContact CD1-CD2 4.42Å; L21-L97 HydrophobicContact CD2-CD2 4.31Å; I90-L97 HydrophobicContact CG2-CD1 4.31Å; L94-L97 HydrophobicContact CB-CD1 4.33Å; L94-L97 PolarHBondContact O-N 3.47Å; P95-L97 PolarHBondContact O-N 3.21Å |
| 98 | H | 46.8 | Very low | 51.2 | Low | 132 Ų | 132 | 95.5 Ų | 95.5 | 61% | 0.611 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -95.1 | -2.7 | 178.8 | -113.7 | -80.5 | 0 | 0 | 0 | 113.7 | E91 P95 I96 | E91-H98 IonicContact OE1-NE2 3.93Å; P95-H98 PolarHBondContact O-N 3.45Å; I96-H98 VanDerWaalsContact C-N 3.26Å; I96-H98 PolarHBondContact O-N 2.96Å |
| 99 | Q | 49.2 | Very low | 50.1 | Low | 78 Ų | 78 | 99.7 Ų | 99.7 | 36% | 0.364 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -96.2 | 119.3 | -175 | -158.7 | 166.5 | 7 | 0 | 0 | 110.7 | I96 | I96-Q99 PolarHBondContact O-N 3.41Š|
| 100 | P | 46.8 | Very low | 49 | Very low | 76 Ų | 76 | 98 Ų | 98 | 49% | 0.494 | 53% | 0.534 | S | S | . | . | trans | -64.5 | 144.1 | 175.4 | 24.7 | -31.3 | 0 | 0 | 0 | 110.9 | D102 | P100-D102 PolarHBondContact O-N 2.89Š| ||
| 101 | S | 41.9 | Very low | 48.4 | Very low | 45 Ų | 45 | 99 Ų | 99 | 32% | 0.315 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -5.3 | -175 | 47.8 | 0 | 0 | 0 | 0 | 115.8 | ||
| 102 | D | 49.1 | Very low | 47.7 | Very low | 134 Ų | 134 | 100.7 Ų | 100.7 | 72% | 0.717 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -19.8 | -176.7 | -65 | -29.2 | 0 | 0 | 0 | 113.7 | P100 | P100-D102 PolarHBondContact O-N 2.89Š|
| 103 | Q | 50.5 | Low | 47 | Very low | 126 Ų | 126 | 96 Ų | 96 | 59% | 0.589 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -23.6 | 178.2 | -81.8 | -177.2 | 6.4 | 0 | 0 | 114.6 | S106 | Q103-S106 PolarHBondContact O-OG 3.44Š|
| 104 | I | 47.3 | Very low | 46.3 | Very low | 108 Ų | 108 | 96 Ų | 96 | 55% | 0.554 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -84.6 | -23.1 | -178.3 | -52.1 | -173.9 | 0 | 0 | 0 | 111.8 | ||
| 105 | V | 45.7 | Very low | 45.9 | Very low | 98 Ų | 98 | 95.4 Ų | 95.4 | 59% | 0.594 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -76.9 | -22.2 | 178.2 | 174 | 0 | 0 | 0 | 0 | 112.7 | K109 | V105-K109 VanDerWaalsContact O-CB 3.29Å; V105-K109 WeakPolarHBondContact O-CB 3.2Å; V105-K109 PolarHBondContact O-N 3.48Å |
| 106 | S | 46.2 | Very low | 45.3 | Very low | 77 Ų | 77 | 98.2 Ų | 98.2 | 54% | 0.538 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -71.6 | -40.3 | 178.3 | 74.5 | 0 | 0 | 0 | 0 | 113 | Q103 | Q103-S106 PolarHBondContact O-OG 3.44Å |
| 107 | S | 45.1 | Very low | 44.6 | Very low | 93 Ų | 93 | 100.1 Ų | 100.1 | 65% | 0.65 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -78.1 | -19.1 | 179.6 | -58.9 | 0 | 0 | 0 | 0 | 114.1 | ||
| 108 | A | 42.3 | Very low | 44.4 | Very low | 60 Ų | 60 | 104.3 Ų | 104.3 | 50% | 0.496 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -90.2 | -20.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 109 | K | 41.5 | Very low | 44 | Very low | 147 Ų | 147 | 106.2 Ų | 106.2 | 64% | 0.639 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -75.4 | -29 | 178.7 | -167.5 | 173.9 | -178.2 | -178.8 | 0 | 112.8 | V105 T113 | V105-K109 VanDerWaalsContact O-CB 3.29Å; V105-K109 WeakPolarHBondContact O-CB 3.2Å; V105-K109 PolarHBondContact O-N 3.48Å; K109-T113 WeakPolarHBondContact O-CG2 3.48Å; K109-T113 PolarHBondContact O-N 2.9Å; K109-T113 PolarHBondContact O-OG1 3.39Å |
| 110 | D | 40.2 | Very low | 43.4 | Very low | 121 Ų | 121 | 108.1 Ų | 108.1 | 65% | 0.647 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -78.2 | -23.9 | -178.1 | -133.3 | 20.8 | 0 | 0 | 0 | 113.6 | T113 T114 | D110-T113 PolarHBondContact O-OG1 2.96Å; D110-T113 VanDerWaalsContact O-OG1 3.13Å; D110-T114 PolarHBondContact O-OG1 3.32Å |
| 111 | V | 47.9 | Very low | 43 | Very low | 108 Ų | 108 | 107.7 Ų | 107.7 | 66% | 0.655 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -82.1 | -25.1 | 176.1 | -178.6 | 0 | 0 | 0 | 0 | 111.7 | ||
| 112 | V | 41.7 | Very low | 42.8 | Very low | 103 Ų | 103 | 113 Ų | 113 | 62% | 0.624 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -92.3 | -19.8 | -178.5 | 173.3 | 0 | 0 | 0 | 0 | 113.1 | ||
| 113 | T | 44.3 | Very low | 42.1 | Very low | 79 Ų | 79 | 113.5 Ų | 113.5 | 49% | 0.485 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -73.1 | -32.7 | 168.4 | 46.8 | 0 | 0 | 0 | 0 | 111.9 | K109 D110 A115 K116 | K109-T113 WeakPolarHBondContact O-CG2 3.48Å; K109-T113 PolarHBondContact O-N 2.9Å; K109-T113 PolarHBondContact O-OG1 3.39Å; D110-T113 PolarHBondContact O-OG1 2.96Å; D110-T113 VanDerWaalsContact O-OG1 3.13Å; T113-A115 VanDerWaalsContact C-N 3.35Å; T113-A115 PolarHBondContact O-N 2.81Å; T113-K116 PolarHBondContact O-N 3.47Å |
| 114 | T | 41.4 | Very low | 41.6 | Very low | 101 Ų | 101 | 113.7 Ų | 113.7 | 62% | 0.62 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -71.4 | -26.6 | 178.5 | -50 | 0 | 0 | 0 | 0 | 113 | D110 | D110-T114 PolarHBondContact O-OG1 3.32Å |
| 115 | A | 42.8 | Very low | 41 | Very low | 73 Ų | 73 | 111.8 Ų | 111.8 | 60% | 0.603 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -87.2 | -13.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | T113 | T113-A115 VanDerWaalsContact C-N 3.35Å; T113-A115 PolarHBondContact O-N 2.81Å |
| 116 | K | 40.6 | Very low | 40.4 | Very low | 162 Ų | 162 | 112.3 Ų | 112.3 | 70% | 0.704 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -87.9 | -24.9 | -179.8 | -167.8 | 172.2 | 178.3 | 176.3 | 0 | 113 | T113 V118 T120 | T113-K116 PolarHBondContact O-N 3.47Å; K116-V118 VanDerWaalsContact C-N 3.35Å; K116-T120 PolarHBondContact O-OG1 3.24Å |
| 117 | D | 36.2 | Very low | 39.8 | Very low | 144 Ų | 144 | 119.1 Ų | 119.1 | 77% | 0.77 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -78.3 | -18.1 | -179.6 | -121 | 3.9 | 0 | 0 | 0 | 113.7 | ||
| 118 | V | 44.3 | Very low | 39.5 | Very low | 126 Ų | 126 | 117.8 Ų | 117.8 | 76% | 0.764 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -86.9 | -14.9 | 180 | -179.2 | 0 | 0 | 0 | 0 | 112.8 | K116 | K116-V118 VanDerWaalsContact C-N 3.35Š|
| 119 | M | 38.4 | Very low | 39.1 | Very low | 172 Ų | 172 | 121.6 Ų | 121.6 | 85% | 0.847 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -111.3 | 15.1 | -173.7 | -157.3 | 69.4 | -161.5 | 0 | 0 | 114.5 | ||
| 120 | T | 37.6 | Very low | 39 | Very low | 117 Ų | 117 | 121.6 Ų | 121.6 | 72% | 0.718 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -110 | 8.8 | 174 | -3.4 | 0 | 0 | 0 | 0 | 113.7 | K116 | K116-T120 PolarHBondContact O-OG1 3.24Š|
| 121 | G | 37.6 | Very low | 39 | Very low | 67 Ų | 67 | 120.3 Ų | 120.3 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -92.5 | -6.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 122 | N | 38.8 | Very low | 38.5 | Very low | 156 Ų | 156 | 122.4 Ų | 122.4 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -148.1 | 92.1 | -171.3 | -131 | 43.1 | 0 | 0 | 0 | 112.7 | ||
| 123 | V | 34.3 | Very low | 38.5 | Very low | 146 Ų | 146 | 122.5 Ų | 122.5 | 89% | 0.885 | 76% | 0.758 | S | S | * | * | trans | -179.8 | 80.4 | 133.1 | 169.8 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 124 | S | 40.3 | Very low | 38.5 | Very low | 129 Ų | 129 | 126.1 Ų | 126.1 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | trans | -108.1 | 108.7 | 158.3 | 152.4 | 0 | 0 | 0 | 0 | 106 | ||||
| 125 | G | 33.4 | Very low | 38.4 | Very low | 68 Ų | 68 | 126.8 Ų | 126.8 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | 149.1 | 94.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 126 | A | 34.3 | Very low | 38.3 | Very low | 110 Ų | 110 | 128.1 Ų | 128.1 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | 167.4 | 100.2 | 129.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 127 | K | 33.1 | Very low | 38.7 | Very low | 219 Ų | 219 | 124.9 Ų | 124.9 | 95% | 0.952 | 78% | 0.777 | S | S | * | * | trans | -92.9 | 132.8 | 167.4 | 176.2 | -176.6 | -179.4 | -177.7 | 0 | 107.4 | ||||
| 128 | G | 39.1 | Very low | 39.1 | Very low | 66 Ų | 66 | 123.1 Ų | 123.1 | 68% | 0.68 | 77% | 0.771 | S | S | * | * | trans | 177.4 | 107.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 129 | T | 32.7 | Very low | 39 | Very low | 139 Ų | 139 | 125.3 Ų | 125.3 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | 81.3 | 75.2 | 144.7 | -37.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 130 | V | 39.4 | Very low | 39.5 | Very low | 148 Ų | 148 | 125.4 Ų | 125.4 | 90% | 0.897 | 77% | 0.769 | S | S | * | * | trans | -99.7 | 106.7 | 157.2 | 178.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 131 | S | 40.1 | Very low | 39.9 | Very low | 93 Ų | 93 | 123.7 Ų | 123.7 | 65% | 0.65 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -158.4 | -32.8 | 163.6 | -164.8 | 0 | 0 | 0 | 0 | 114.7 | ||
| 132 | D | 39 | Very low | 40.4 | Very low | 152 Ų | 152 | 131.4 Ų | 131.4 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -107.9 | 10.2 | -166.1 | -70.5 | -20.2 | 0 | 0 | 0 | 116.9 | ||
| 133 | T | 41.4 | Very low | 40.9 | Very low | 105 Ų | 105 | 126.7 Ų | 126.7 | 64% | 0.644 | 76% | 0.755 | S | S | * | * | trans | -128.6 | 27.8 | -172 | 27 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 134 | L | 43.4 | Very low | 41.5 | Very low | 155 Ų | 155 | 122.8 Ų | 122.8 | 81% | 0.812 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -86 | -15.6 | 175.7 | -166.8 | 56.2 | 0 | 0 | 0 | 114.1 | ||
| 135 | S | 39.5 | Very low | 41.9 | Very low | 115 Ų | 115 | 121.6 Ų | 121.6 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -89.7 | -11.8 | -176 | -161.5 | 0 | 0 | 0 | 0 | 115.3 | ||
| 136 | T | 41.2 | Very low | 42.5 | Very low | 102 Ų | 102 | 124.3 Ų | 124.3 | 63% | 0.626 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -107.1 | 2.8 | -172.9 | -33.3 | 0 | 0 | 0 | 0 | 113.4 | ||
| 137 | V | 47.8 | Very low | 43.2 | Very low | 94 Ų | 94 | 123.4 Ų | 123.4 | 57% | 0.57 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -96.2 | -18.9 | -175.8 | 178.8 | 0 | 0 | 0 | 0 | 112.9 | T141 | V137-T141 PolarHBondContact O-OG1 2.94Š|
| 138 | V | 46.3 | Very low | 44.1 | Very low | 106 Ų | 106 | 114.6 Ų | 114.6 | 64% | 0.642 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -80.7 | -30.3 | -177.2 | 174.7 | 0 | 0 | 0 | 0 | 112.7 | K140 T141 | V138-K140 PolarHBondContact O-N 3.42Å; V138-T141 PolarHBondContact O-OG1 3.26Å; V138-T141 VanDerWaalsContact O-OG1 3.14Å |
| 139 | E | 42.4 | Very low | 44.6 | Very low | 173 Ų | 173 | 117.7 Ų | 117.7 | 81% | 0.808 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -20.6 | -178.1 | -141.4 | 68.1 | -162.5 | 0 | 0 | 113.2 | ||
| 140 | K | 48.2 | Very low | 45.4 | Very low | 174 Ų | 174 | 115.7 Ų | 115.7 | 76% | 0.757 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -8.8 | 177 | -80.9 | -174.8 | 176.8 | -179.8 | 0 | 114.1 | V138 R142 | V138-K140 PolarHBondContact O-N 3.42Å; K140-R142 PolarHBondContact O-N 2.83Å |
| 141 | T | 46.7 | Very low | 46.2 | Very low | 81 Ų | 81 | 116.4 Ų | 116.4 | 50% | 0.497 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -79.9 | -14.6 | -176 | -11.1 | 0 | 0 | 0 | 0 | 113.6 | V137 V138 V145 | V137-T141 PolarHBondContact O-OG1 2.94Å; V138-T141 PolarHBondContact O-OG1 3.26Å; V138-T141 VanDerWaalsContact O-OG1 3.14Å; T141-V145 WeakPolarHBondContact O-CG2 3.33Å |
| 142 | R | 47.2 | Very low | 46.7 | Very low | 228 Ų | 228 | 116 Ų | 116 | 86% | 0.86 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -84.4 | -27.7 | 178.4 | -163.6 | 172.3 | 177.6 | 172.3 | -1 | 114 | K140 | K140-R142 PolarHBondContact O-N 2.83Å |
| 143 | G | 49 | Very low | 47.2 | Very low | 57 Ų | 57 | 114.9 Ų | 114.9 | 59% | 0.588 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -79.8 | -29.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 144 | A | 47.8 | Very low | 47.9 | Very low | 64 Ų | 64 | 112.8 Ų | 112.8 | 53% | 0.529 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -82.3 | -21.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | G148 | A144-G148 PolarHBondContact O-N 3.16Å; A144-G148 VanDerWaalsContact O-N 3.11Å |
| 145 | V | 47.4 | Very low | 48.1 | Very low | 105 Ų | 105 | 108 Ų | 108 | 64% | 0.636 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -76.6 | -32.5 | 179.6 | 168.8 | 0 | 0 | 0 | 0 | 112.2 | T141 M149 | T141-V145 WeakPolarHBondContact O-CG2 3.33Å; V145-M149 PolarHBondContact O-N 3.41Å |
| 146 | Q | 47.3 | Very low | 48.6 | Very low | 125 Ų | 125 | 107.9 Ų | 107.9 | 58% | 0.584 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -75.8 | -41.5 | 176.5 | -168.6 | 67.3 | 13.7 | 0 | 0 | 111.9 | G148 M149 E150 | Q146-G148 VanDerWaalsContact C-N 3.28Å; Q146-G148 PolarHBondContact O-N 2.68Å; Q146-M149 PolarHBondContact O-N 2.81Å; Q146-E150 PolarHBondContact O-N 2.63Å |
| 147 | D | 47.8 | Very low | 49.1 | Very low | 91 Ų | 91 | 107 Ų | 107 | 49% | 0.487 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -74.5 | -21.1 | -179.2 | -144.6 | 36.6 | 0 | 0 | 0 | 112.3 | R151 | D147-R151 VanDerWaalsContact CG-NH1 3.26Å; D147-R151 WeakPolarHBondContact O-CB 3.26Å; D147-R151 WeakPolarHBondContact O-CG 3.29Å; D147-R151 PolarHBondContact O-N 2.97Å; D147-R151 IonicContact OD1-NH1 2.68Å; D147-R151 IonicContact OD2-CZ 2.73Å; D147-R151 IonicContact OD2-NH1 3.81Å; D147-R151 PolarHBondContact OD2-NH1 3.35Å; D147-R151 IonicContact OD2-NH2 3.28Å |
| 148 | G | 53 | Low | 49.3 | Very low | 33 Ų | 33 | 104.2 Ų | 104.2 | 34% | 0.34 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -74 | -41.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A144 Q146 R151 T152 | A144-G148 PolarHBondContact O-N 3.16Å; A144-G148 VanDerWaalsContact O-N 3.11Å; Q146-G148 VanDerWaalsContact C-N 3.28Å; Q146-G148 PolarHBondContact O-N 2.68Å; G148-R151 PolarHBondContact O-N 2.87Å; G148-T152 PolarHBondContact O-N 3.08Å; G148-T152 PolarHBondContact O-OG1 3.38Å |
| 149 | M | 48.8 | Very low | 49.5 | Very low | 131 Ų | 131 | 102 Ų | 102 | 65% | 0.645 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.1 | -43.4 | -179.7 | -172.8 | 78.9 | -176.3 | 0 | 0 | 112.5 | V145 Q146 T152 K153 | V145-M149 PolarHBondContact O-N 3.41Å; Q146-M149 PolarHBondContact O-N 2.81Å; M149-T152 PolarHBondContact O-N 3.04Å; M149-K153 WeakPolarHBondContact O-CB 3.38Å; M149-K153 PolarHBondContact O-N 3.25Å |
| 150 | E | 50.6 | Low | 50 | Low | 97 Ų | 97 | 98.4 Ų | 98.4 | 45% | 0.453 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -69.4 | -33.3 | 177.1 | -71.3 | -64.1 | 164.6 | 0 | 0 | 112 | Q146 K153 A154 | Q146-E150 PolarHBondContact O-N 2.63Å; E150-K153 PolarHBondContact O-N 2.91Å; E150-A154 VanDerWaalsContact O-CB 3.24Å; E150-A154 WeakPolarHBondContact O-CB 3.46Å; E150-A154 PolarHBondContact O-N 3.38Å |
| 151 | R | 55 | Low | 50.1 | Low | 163 Ų | 163 | 93.6 Ų | 93.6 | 62% | 0.615 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -69.7 | -36.8 | 172.3 | -78.9 | -169.2 | 174 | 93.4 | 0.9 | 113 | D147 G148 A155 | D147-R151 VanDerWaalsContact CG-NH1 3.26Å; D147-R151 WeakPolarHBondContact O-CB 3.26Å; D147-R151 WeakPolarHBondContact O-CG 3.29Å; D147-R151 PolarHBondContact O-N 2.97Å; D147-R151 IonicContact OD1-NH1 2.68Å; D147-R151 IonicContact OD2-CZ 2.73Å; D147-R151 IonicContact OD2-NH1 3.81Å; D147-R151 PolarHBondContact OD2-NH1 3.35Å; D147-R151 IonicContact OD2-NH2 3.28Å; G148-R151 PolarHBondContact O-N 2.87Å; R151-A155 WeakPolarHBondContact O-CB 3.43Å; R151-A155 PolarHBondContact O-N 3.39Å |
| 152 | T | 51.8 | Low | 50.6 | Low | 84 Ų | 84 | 94.3 Ų | 94.3 | 52% | 0.515 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -70.7 | -35.6 | 173.6 | -53.3 | 0 | 0 | 0 | 0 | 111.5 | G148 M149 L156 | G148-T152 PolarHBondContact O-N 3.08Å; G148-T152 PolarHBondContact O-OG1 3.38Å; M149-T152 PolarHBondContact O-N 3.04Å; T152-L156 HydrophobicContact CG2-CD1 4.02Å; T152-L156 HydrophobicContact CG2-CG 4.43Å; T152-L156 VanDerWaalsContact O-CB 3.29Å; T152-L156 WeakPolarHBondContact O-CB 3.22Å; T152-L156 WeakPolarHBondContact O-CD1 3.17Å; T152-L156 WeakPolarHBondContact O-CG 3.28Å; T152-L156 PolarHBondContact O-N 3.12Å |
| 153 | K | 49.5 | Very low | 51.1 | Low | 130 Ų | 130 | 87.8 Ų | 87.8 | 57% | 0.565 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.5 | -42.7 | 173.5 | -171.5 | 179.4 | 177.6 | -174.7 | 0 | 112.4 | M149 E150 L156 S157 | M149-K153 WeakPolarHBondContact O-CB 3.38Å; M149-K153 PolarHBondContact O-N 3.25Å; E150-K153 PolarHBondContact O-N 2.91Å; K153-L156 PolarHBondContact O-N 3.37Å; K153-S157 PolarHBondContact O-N 3.43Å |
| 154 | A | 54.8 | Low | 51.5 | Low | 60 Ų | 60 | 90.4 Ų | 90.4 | 50% | 0.496 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.3 | -42.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E150 S157 G158 | E150-A154 VanDerWaalsContact O-CB 3.24Å; E150-A154 WeakPolarHBondContact O-CB 3.46Å; E150-A154 PolarHBondContact O-N 3.38Å; A154-S157 PolarHBondContact O-N 3.49Å; A154-S157 PolarHBondContact O-OG 3.06Å; A154-S157 VanDerWaalsContact O-OG 3.11Å; A154-G158 PolarHBondContact O-N 3.2Å |
| 155 | A | 48.3 | Very low | 51.9 | Low | 55 Ų | 55 | 93.1 Ų | 93.1 | 46% | 0.455 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.9 | -38.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R151 G158 S159 | R151-A155 WeakPolarHBondContact O-CB 3.43Å; R151-A155 PolarHBondContact O-N 3.39Å; A155-G158 PolarHBondContact O-N 2.91Å; A155-S159 WeakPolarHBondContact O-CB 3.31Å; A155-S159 PolarHBondContact O-N 3.4Å; A155-S159 PolarHBondContact O-OG 3.35Å |
| 156 | L | 48.8 | Very low | 53.1 | Low | 112 Ų | 112 | 90.2 Ų | 90.2 | 59% | 0.586 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.7 | -38.5 | 174.6 | -74.7 | 167.5 | 0 | 0 | 0 | 111.9 | T152 K153 S159 V160 | T152-L156 HydrophobicContact CG2-CD1 4.02Å; T152-L156 HydrophobicContact CG2-CG 4.43Å; T152-L156 VanDerWaalsContact O-CB 3.29Å; T152-L156 WeakPolarHBondContact O-CB 3.22Å; T152-L156 WeakPolarHBondContact O-CD1 3.17Å; T152-L156 WeakPolarHBondContact O-CG 3.28Å; T152-L156 PolarHBondContact O-N 3.12Å; K153-L156 PolarHBondContact O-N 3.37Å; L156-S159 PolarHBondContact O-N 3.44Å; L156-V160 WeakPolarHBondContact O-CG2 3.46Å; L156-V160 PolarHBondContact O-N 3.48Å |
| 157 | S | 52 | Low | 54.2 | Low | 83 Ų | 83 | 94.5 Ų | 94.5 | 58% | 0.58 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -69.3 | -37.4 | 174.8 | 86.8 | 0 | 0 | 0 | 0 | 112.8 | K153 A154 S159 V160 S161 | K153-S157 PolarHBondContact O-N 3.43Å; A154-S157 PolarHBondContact O-N 3.49Å; A154-S157 PolarHBondContact O-OG 3.06Å; A154-S157 VanDerWaalsContact O-OG 3.11Å; S157-S159 VanDerWaalsContact C-N 3.34Å; S157-S159 PolarHBondContact O-N 3.44Å; S157-V160 PolarHBondContact O-N 3.41Å; S157-S161 PolarHBondContact O-N 2.85Å |
| 158 | G | 52.5 | Low | 55.1 | Low | 36 Ų | 36 | 94.8 Ų | 94.8 | 37% | 0.371 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.6 | -31.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A154 A155 T162 | A154-G158 PolarHBondContact O-N 3.2Å; A155-G158 PolarHBondContact O-N 2.91Å; G158-T162 PolarHBondContact O-N 3.38Å; G158-T162 PolarHBondContact O-OG1 2.99Å |
| 159 | S | 51.4 | Low | 55.9 | Low | 61 Ų | 61 | 95.9 Ų | 95.9 | 43% | 0.427 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -73 | -35.7 | 177.6 | -56.1 | 0 | 0 | 0 | 0 | 112.5 | A155 L156 S157 T162 V163 | A155-S159 WeakPolarHBondContact O-CB 3.31Å; A155-S159 PolarHBondContact O-N 3.4Å; A155-S159 PolarHBondContact O-OG 3.35Å; L156-S159 PolarHBondContact O-N 3.44Å; S157-S159 VanDerWaalsContact C-N 3.34Å; S157-S159 PolarHBondContact O-N 3.44Å; S159-T162 WeakPolarHBondContact CA-OG1 3.49Å; S159-T162 PolarHBondContact O-N 2.68Å; S159-T162 PolarHBondContact O-OG1 2.78Å; S159-V163 WeakPolarHBondContact O-CB 3.48Å; S159-V163 WeakPolarHBondContact O-CG2 3.02Å; S159-V163 PolarHBondContact O-N 2.81Å |
| 160 | V | 51.9 | Low | 56.9 | Low | 96 Ų | 96 | 97.9 Ų | 97.9 | 58% | 0.582 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68 | -39.9 | 176.9 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | L156 S157 L164 | L156-V160 WeakPolarHBondContact O-CG2 3.46Å; L156-V160 PolarHBondContact O-N 3.48Å; S157-V160 PolarHBondContact O-N 3.41Å; V160-L164 HydrophobicContact CG1-CD1 4.31Å; V160-L164 WeakPolarHBondContact O-CD1 3.36Å; V160-L164 WeakPolarHBondContact O-CG 3.44Å; V160-L164 PolarHBondContact O-N 2.88Å |
| 161 | S | 49.8 | Very low | 58 | Low | 74 Ų | 74 | 99 Ų | 99 | 52% | 0.517 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.2 | -35.6 | 176.5 | -170.4 | 0 | 0 | 0 | 0 | 113 | S157 | S157-S161 PolarHBondContact O-N 2.85Å |
| 162 | T | 58.7 | Low | 59 | Low | 95 Ų | 95 | 95.6 Ų | 95.6 | 58% | 0.583 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -79.7 | -28.9 | 179.5 | 36.5 | 0 | 0 | 0 | 0 | 113.2 | G158 S159 D165 S166 | G158-T162 PolarHBondContact O-N 3.38Å; G158-T162 PolarHBondContact O-OG1 2.99Å; S159-T162 WeakPolarHBondContact CA-OG1 3.49Å; S159-T162 PolarHBondContact O-N 2.68Å; S159-T162 PolarHBondContact O-OG1 2.78Å; T162-D165 PolarHBondContact O-N 3.38Å; T162-S166 PolarHBondContact O-N 3.43Å |
| 163 | V | 56.2 | Low | 60 | Low | 91 Ų | 91 | 94.5 Ų | 94.5 | 55% | 0.552 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -70.6 | -34.6 | 172.8 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | S159 D165 S166 V169 | S159-V163 WeakPolarHBondContact O-CB 3.48Å; S159-V163 WeakPolarHBondContact O-CG2 3.02Å; S159-V163 PolarHBondContact O-N 2.81Å; V163-D165 VanDerWaalsContact C-N 3.26Å; V163-D165 PolarHBondContact O-N 3.45Å; V163-S166 WeakPolarHBondContact O-CB 3.43Å; V163-S166 PolarHBondContact O-N 2.79Å; V163-S166 VanDerWaalsContact O-N 3.12Å; V163-V169 HydrophobicContact CG1-CG2 4.49Å; V163-V169 VanDerWaalsContact O-CG2 3.29Å; V163-V169 WeakPolarHBondContact O-CG2 3.38Å |
| 164 | L | 57.8 | Low | 61.3 | Low | 113 Ų | 113 | 90.9 Ų | 90.9 | 59% | 0.592 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.1 | -33.1 | 172.7 | -80.3 | 160.1 | 0 | 0 | 0 | 112.8 | V160 S166 | V160-L164 HydrophobicContact CG1-CD1 4.31Å; V160-L164 WeakPolarHBondContact O-CD1 3.36Å; V160-L164 WeakPolarHBondContact O-CG 3.44Å; V160-L164 PolarHBondContact O-N 2.88Å; L164-S166 VanDerWaalsContact C-N 3.33Å |
| 165 | D | 56.9 | Low | 62.5 | Low | 120 Ų | 120 | 89.8 Ų | 89.8 | 64% | 0.642 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | 0.9 | 176.3 | -82.4 | -26 | 0 | 0 | 0 | 114.3 | T162 V163 R167 | T162-D165 PolarHBondContact O-N 3.38Å; V163-D165 VanDerWaalsContact C-N 3.26Å; V163-D165 PolarHBondContact O-N 3.45Å; D165-R167 PolarHBondContact O-N 2.91Å |
| 166 | S | 73.3 | Confident | 63.9 | Low | 45 Ų | 45 | 91.5 Ų | 91.5 | 32% | 0.315 | 53% | 0.527 | S | S | . | . | trans | -60.6 | 136.2 | 178.6 | 176.9 | 0 | 0 | 0 | 0 | 111.2 | T162 V163 L164 V168 V169 R170 | T162-S166 PolarHBondContact O-N 3.43Å; V163-S166 WeakPolarHBondContact O-CB 3.43Å; V163-S166 PolarHBondContact O-N 2.79Å; V163-S166 VanDerWaalsContact O-N 3.12Å; L164-S166 VanDerWaalsContact C-N 3.33Å; S166-V168 PolarHBondContact O-N 3.01Å; S166-V168 VanDerWaalsContact O-N 3.08Å; S166-V168 PolarHBondContact OG-N 2.89Å; S166-V169 PolarHBondContact O-N 3.48Å; S166-R170 PolarHBondContact O-N 2.81Å | ||
| 167 | R | 70.1 | Confident | 65.1 | Low | 214 Ų | 214 | 90.1 Ų | 90.1 | 81% | 0.808 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -53.8 | -31.2 | 175.1 | -74.9 | -176.4 | -179 | -160.8 | 0.2 | 112.4 | D165 L171 | D165-R167 PolarHBondContact O-N 2.91Å; R167-L171 VanDerWaalsContact O-CB 3.28Å; R167-L171 WeakPolarHBondContact O-CB 3.3Å; R167-L171 WeakPolarHBondContact O-CD1 3.39Å; R167-L171 VanDerWaalsContact O-CG 3.22Å; R167-L171 WeakPolarHBondContact O-CG 3.47Å; R167-L171 PolarHBondContact O-N 3.06Å |
| 168 | V | 66.4 | Low | 66.4 | Low | 97 Ų | 97 | 90.3 Ų | 90.3 | 59% | 0.588 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -70.3 | -42.9 | 177.2 | -176.9 | 0 | 0 | 0 | 0 | 111 | S166 L171 V172 | S166-V168 PolarHBondContact O-N 3.01Å; S166-V168 VanDerWaalsContact O-N 3.08Å; S166-V168 PolarHBondContact OG-N 2.89Å; V168-L171 PolarHBondContact O-N 2.88Å; V168-V172 HydrophobicContact CG1-CG2 4.48Å; V168-V172 WeakPolarHBondContact O-CB 3.22Å; V168-V172 VanDerWaalsContact O-CG2 3.26Å; V168-V172 WeakPolarHBondContact O-CG2 3.4Å; V168-V172 PolarHBondContact O-N 3.21Å |
| 169 | V | 69.4 | Low | 67.5 | Low | 57 Ų | 57 | 91.2 Ų | 91.2 | 35% | 0.345 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.6 | -40.7 | 176.3 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | V163 S166 V172 S173 | V163-V169 HydrophobicContact CG1-CG2 4.49Å; V163-V169 VanDerWaalsContact O-CG2 3.29Å; V163-V169 WeakPolarHBondContact O-CG2 3.38Å; S166-V169 PolarHBondContact O-N 3.48Å; V169-V172 PolarHBondContact O-N 3.18Å; V169-S173 VanDerWaalsContact O-CB 3.3Å; V169-S173 WeakPolarHBondContact O-CB 3.45Å; V169-S173 PolarHBondContact O-N 2.92Å |
| 170 | R | 70 | Confident | 68.7 | Low | 173 Ų | 173 | 90.9 Ų | 90.9 | 65% | 0.653 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.3 | -40.5 | 173.4 | -76.4 | -178.3 | 58.5 | 175.6 | -1.2 | 112.9 | S166 S174 | S166-R170 PolarHBondContact O-N 2.81Å; R170-S174 VanDerWaalsContact O-CB 3.22Å; R170-S174 WeakPolarHBondContact O-CB 3.3Å; R170-S174 PolarHBondContact O-N 2.76Å; R170-S174 PolarHBondContact O-OG 3.36Å |
| 171 | L | 74.3 | Confident | 69.7 | Low | 120 Ų | 120 | 89.2 Ų | 89.2 | 63% | 0.628 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.5 | -43.9 | 176.2 | -80.4 | 166.2 | 0 | 0 | 0 | 111.4 | R167 V168 S174 G175 | R167-L171 VanDerWaalsContact O-CB 3.28Å; R167-L171 WeakPolarHBondContact O-CB 3.3Å; R167-L171 WeakPolarHBondContact O-CD1 3.39Å; R167-L171 VanDerWaalsContact O-CG 3.22Å; R167-L171 WeakPolarHBondContact O-CG 3.47Å; R167-L171 PolarHBondContact O-N 3.06Å; V168-L171 PolarHBondContact O-N 2.88Å; L171-S174 WeakPolarHBondContact CA-OG 3.37Å; L171-S174 PolarHBondContact O-N 3.33Å; L171-S174 PolarHBondContact O-OG 2.81Å; L171-G175 PolarHBondContact O-N 3.44Å |
| 172 | V | 75.4 | Confident | 70.8 | Confident | 92 Ų | 92 | 89.5 Ų | 89.5 | 56% | 0.558 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.7 | -45.5 | 176.1 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | V168 V169 S174 G175 V176 | V168-V172 HydrophobicContact CG1-CG2 4.48Å; V168-V172 WeakPolarHBondContact O-CB 3.22Å; V168-V172 VanDerWaalsContact O-CG2 3.26Å; V168-V172 WeakPolarHBondContact O-CG2 3.4Å; V168-V172 PolarHBondContact O-N 3.21Å; V169-V172 PolarHBondContact O-N 3.18Å; V172-S174 VanDerWaalsContact C-N 3.35Å; V172-S174 PolarHBondContact O-N 2.84Å; V172-G175 PolarHBondContact O-N 2.95Å; V172-V176 WeakPolarHBondContact O-CG2 3.35Å; V172-V176 PolarHBondContact O-N 3.09Å |
| 173 | S | 73.5 | Confident | 71.3 | Confident | 60 Ų | 60 | 87.6 Ų | 87.6 | 42% | 0.42 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.8 | -48.1 | 173.9 | -167.1 | 0 | 0 | 0 | 0 | 110.4 | V169 G175 V176 D177 | V169-S173 VanDerWaalsContact O-CB 3.3Å; V169-S173 WeakPolarHBondContact O-CB 3.45Å; V169-S173 PolarHBondContact O-N 2.92Å; S173-G175 VanDerWaalsContact C-N 3.28Å; S173-G175 PolarHBondContact O-N 2.72Å; S173-V176 PolarHBondContact O-N 3.41Å; S173-D177 WeakPolarHBondContact O-CB 3.5Å; S173-D177 PolarHBondContact O-N 3.34Å; S173-D177 PolarHBondContact OG-OD2 2.95Å |
| 174 | S | 76.5 | Confident | 71.9 | Confident | 54 Ų | 54 | 83.7 Ų | 83.7 | 38% | 0.378 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.1 | -33.8 | 178 | 72.9 | 0 | 0 | 0 | 0 | 113 | R170 L171 V172 T178 | R170-S174 VanDerWaalsContact O-CB 3.22Å; R170-S174 WeakPolarHBondContact O-CB 3.3Å; R170-S174 PolarHBondContact O-N 2.76Å; R170-S174 PolarHBondContact O-OG 3.36Å; L171-S174 WeakPolarHBondContact CA-OG 3.37Å; L171-S174 PolarHBondContact O-N 3.33Å; L171-S174 PolarHBondContact O-OG 2.81Å; V172-S174 VanDerWaalsContact C-N 3.35Å; V172-S174 PolarHBondContact O-N 2.84Å; S174-T178 WeakPolarHBondContact O-CB 3.32Å; S174-T178 PolarHBondContact O-N 3.09Å; S174-T178 PolarHBondContact O-OG1 3.13Å |
| 175 | G | 78.6 | Confident | 72.2 | Confident | 38 Ų | 38 | 81.8 Ų | 81.8 | 39% | 0.392 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -70.2 | -42.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L171 V172 S173 T178 A179 | L171-G175 PolarHBondContact O-N 3.44Å; V172-G175 PolarHBondContact O-N 2.95Å; S173-G175 VanDerWaalsContact C-N 3.28Å; S173-G175 PolarHBondContact O-N 2.72Å; G175-T178 PolarHBondContact O-N 2.79Å; G175-A179 VanDerWaalsContact O-CB 3.23Å; G175-A179 WeakPolarHBondContact O-CB 3.41Å; G175-A179 PolarHBondContact O-N 2.78Å |
| 176 | V | 78 | Confident | 72.5 | Confident | 90 Ų | 90 | 80.8 Ų | 80.8 | 55% | 0.545 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64 | -44.9 | 172.9 | 170.3 | 0 | 0 | 0 | 0 | 110.6 | V172 S173 T178 A179 L180 | V172-V176 WeakPolarHBondContact O-CG2 3.35Å; V172-V176 PolarHBondContact O-N 3.09Å; S173-V176 PolarHBondContact O-N 3.41Å; V176-T178 PolarHBondContact O-N 2.95Å; V176-A179 PolarHBondContact O-N 2.87Å; V176-L180 WeakPolarHBondContact O-CB 3.23Å; V176-L180 PolarHBondContact O-N 2.9Å |
| 177 | D | 74.6 | Confident | 72.1 | Confident | 84 Ų | 84 | 81.7 Ų | 81.7 | 45% | 0.449 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.2 | -37.3 | 178.6 | -67.9 | -37.2 | 0 | 0 | 0 | 111.8 | S173 T181 | S173-D177 WeakPolarHBondContact O-CB 3.5Å; S173-D177 PolarHBondContact O-N 3.34Å; S173-D177 PolarHBondContact OG-OD2 2.95Å; D177-T181 WeakPolarHBondContact O-CB 3.28Å; D177-T181 PolarHBondContact O-N 3.42Å; D177-T181 PolarHBondContact O-OG1 3.11Å |
| 178 | T | 78.5 | Confident | 71.7 | Confident | 86 Ų | 86 | 75.8 Ų | 75.8 | 53% | 0.528 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -70.5 | -45.5 | 176.4 | -57.7 | 0 | 0 | 0 | 0 | 111 | S174 G175 V176 L180 T181 T182 | S174-T178 WeakPolarHBondContact O-CB 3.32Å; S174-T178 PolarHBondContact O-N 3.09Å; S174-T178 PolarHBondContact O-OG1 3.13Å; G175-T178 PolarHBondContact O-N 2.79Å; V176-T178 PolarHBondContact O-N 2.95Å; T178-L180 VanDerWaalsContact C-N 3.33Å; T178-T181 PolarHBondContact O-N 3.11Å; T178-T182 WeakPolarHBondContact O-CG2 3.37Å; T178-T182 PolarHBondContact O-N 3.15Å; T178-T182 PolarHBondContact O-OG1 3.06Å; T178-T182 VanDerWaalsContact O-OG1 3.13Å |
| 179 | A | 75.7 | Confident | 71.2 | Confident | 56 Ų | 56 | 77.7 Ų | 77.7 | 46% | 0.463 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.8 | -38.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G175 V176 T182 S183 | G175-A179 VanDerWaalsContact O-CB 3.23Å; G175-A179 WeakPolarHBondContact O-CB 3.41Å; G175-A179 PolarHBondContact O-N 2.78Å; V176-A179 PolarHBondContact O-N 2.87Å; A179-T182 WeakPolarHBondContact CA-OG1 3.08Å; A179-T182 PolarHBondContact O-OG1 3.45Å; A179-S183 WeakPolarHBondContact O-CB 3.4Å; A179-S183 PolarHBondContact O-N 2.78Å; A179-S183 PolarHBondContact O-OG 3.47Å |
| 180 | L | 76.2 | Confident | 70.4 | Confident | 53 Ų | 53 | 81.6 Ų | 81.6 | 28% | 0.277 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.3 | -47.3 | 172.9 | -171.2 | 66.1 | 0 | 0 | 0 | 109.8 | V176 T178 T182 S183 E184 | V176-L180 WeakPolarHBondContact O-CB 3.23Å; V176-L180 PolarHBondContact O-N 2.9Å; T178-L180 VanDerWaalsContact C-N 3.33Å; L180-T182 PolarHBondContact O-N 3.25Å; L180-S183 WeakPolarHBondContact CA-OG 3.15Å; L180-S183 PolarHBondContact O-N 3.49Å; L180-S183 PolarHBondContact O-OG 2.84Å; L180-E184 HydrophobicContact CG-CG 4.4Å; L180-E184 WeakPolarHBondContact O-CB 3.42Å; L180-E184 VanDerWaalsContact O-CG 3.22Å; L180-E184 WeakPolarHBondContact O-CG 3.45Å; L180-E184 PolarHBondContact O-N 3.22Å |
| 181 | T | 74.1 | Confident | 69.8 | Low | 61 Ų | 61 | 75.1 Ų | 75.1 | 37% | 0.374 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.2 | -40 | 178.7 | -64.1 | 0 | 0 | 0 | 0 | 112.7 | D177 T178 E184 S185 | D177-T181 WeakPolarHBondContact O-CB 3.28Å; D177-T181 PolarHBondContact O-N 3.42Å; D177-T181 PolarHBondContact O-OG1 3.11Å; T178-T181 PolarHBondContact O-N 3.11Å; T181-E184 PolarHBondContact O-N 3.31Å; T181-S185 WeakPolarHBondContact O-CB 3.26Å; T181-S185 PolarHBondContact O-N 2.94Å |
| 182 | T | 71.9 | Confident | 68.5 | Low | 81 Ų | 81 | 72.1 Ų | 72.1 | 50% | 0.497 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -71 | -40.4 | 176.2 | 51.7 | 0 | 0 | 0 | 0 | 111.5 | T178 A179 L180 E184 S185 L186 | T178-T182 WeakPolarHBondContact O-CG2 3.37Å; T178-T182 PolarHBondContact O-N 3.15Å; T178-T182 PolarHBondContact O-OG1 3.06Å; T178-T182 VanDerWaalsContact O-OG1 3.13Å; A179-T182 WeakPolarHBondContact CA-OG1 3.08Å; A179-T182 PolarHBondContact O-OG1 3.45Å; L180-T182 PolarHBondContact O-N 3.25Å; T182-E184 VanDerWaalsContact C-N 3.32Å; T182-E184 PolarHBondContact O-N 2.64Å; T182-S185 PolarHBondContact O-N 3.33Å; T182-L186 WeakPolarHBondContact O-CG 3.31Å; T182-L186 PolarHBondContact O-N 2.96Å; T182-L186 VanDerWaalsContact O-N 3.07Å |
| 183 | S | 69.7 | Low | 67.3 | Low | 55 Ų | 55 | 69.1 Ų | 69.1 | 39% | 0.385 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.1 | -38.4 | 172.9 | 75.8 | 0 | 0 | 0 | 0 | 112.2 | A179 L180 L186 V187 | A179-S183 WeakPolarHBondContact O-CB 3.4Å; A179-S183 PolarHBondContact O-N 2.78Å; A179-S183 PolarHBondContact O-OG 3.47Å; L180-S183 WeakPolarHBondContact CA-OG 3.15Å; L180-S183 PolarHBondContact O-N 3.49Å; L180-S183 PolarHBondContact O-OG 2.84Å; S183-L186 PolarHBondContact O-N 3.47Å; S183-V187 WeakPolarHBondContact O-CG2 3.39Å; S183-V187 PolarHBondContact O-N 2.59Å |
| 184 | E | 68.6 | Low | 66.5 | Low | 9 Ų | 9 | 69.1 Ų | 69.1 | 4% | 0.042 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -65.9 | -43.5 | 174.6 | -77.9 | -179.2 | 152.9 | 0 | 0 | 111.4 | L180 T181 T182 L186 V187 E188 S222 T223 K224 | L180-E184 HydrophobicContact CG-CG 4.4Å; L180-E184 WeakPolarHBondContact O-CB 3.42Å; L180-E184 VanDerWaalsContact O-CG 3.22Å; L180-E184 WeakPolarHBondContact O-CG 3.45Å; L180-E184 PolarHBondContact O-N 3.22Å; T181-E184 PolarHBondContact O-N 3.31Å; T182-E184 VanDerWaalsContact C-N 3.32Å; T182-E184 PolarHBondContact O-N 2.64Å; E184-L186 VanDerWaalsContact C-N 3.25Å; E184-L186 PolarHBondContact O-N 2.87Å; E184-V187 CarbonylContact O-C 3.52Å; E184-V187 PolarHBondContact O-N 2.77Å; E184-E188 VanDerWaalsContact O-CB 3.31Å; E184-E188 WeakPolarHBondContact O-CB 3.2Å; E184-E188 PolarHBondContact O-N 2.92Å; E184-S222 VanDerWaalsContact CD-OG 3.31Å; E184-S222 WeakPolarHBondContact CG-OG 3.21Å; E184-S222 WeakPolarHBondContact OE1-CB 3.15Å; E184-S222 PolarHBondContact OE1-OG 3.29Å; E184-T223 PolarHBondContact OE1-N 3.38Å; E184-T223 VanDerWaalsContact OE1-N 3.15Å; E184-K224 PolarHBondContact OE1-N 3.07Å; E184-K224 WeakPolarHBondContact OE2-CD 3.15Å; E184-K224 WeakPolarHBondContact OE2-CE 3.35Å; E184-K224 WeakPolarHBondContact OE2-CG 3.44Å |
| 185 | S | 64.6 | Low | 65.4 | Low | 72 Ų | 72 | 73.8 Ų | 73.8 | 50% | 0.503 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.6 | -37.8 | 176.2 | -178.7 | 0 | 0 | 0 | 0 | 112 | T181 T182 E188 Q189 | T181-S185 WeakPolarHBondContact O-CB 3.26Å; T181-S185 PolarHBondContact O-N 2.94Å; T182-S185 PolarHBondContact O-N 3.33Å; S185-E188 PolarHBondContact O-N 3.47Å; S185-Q189 PolarHBondContact O-N 3.48Å; S185-Q189 VanDerWaalsContact O-N 3.09Å |
| 186 | L | 63.3 | Low | 64.1 | Low | 99 Ų | 99 | 79.2 Ų | 79.2 | 52% | 0.518 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -69.6 | -43.8 | 175.5 | -69 | 171.7 | 0 | 0 | 0 | 110.7 | T182 S183 E184 E188 Q189 Y190 | T182-L186 WeakPolarHBondContact O-CG 3.31Å; T182-L186 PolarHBondContact O-N 2.96Å; T182-L186 VanDerWaalsContact O-N 3.07Å; S183-L186 PolarHBondContact O-N 3.47Å; E184-L186 VanDerWaalsContact C-N 3.25Å; E184-L186 PolarHBondContact O-N 2.87Å; L186-E188 VanDerWaalsContact C-N 3.28Å; L186-E188 PolarHBondContact O-N 2.85Å; L186-Q189 WeakPolarHBondContact O-CB 3.42Å; L186-Q189 PolarHBondContact O-N 3.44Å; L186-Y190 WeakPolarHBondContact O-CD2 3.2Å; L186-Y190 PolarHBondContact O-N 3.21Å |
| 187 | V | 64.4 | Low | 62.9 | Low | 65 Ų | 65 | 79.5 Ų | 79.5 | 39% | 0.394 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.6 | -35.6 | 174.4 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | S183 E184 Y190 L191 L225 | S183-V187 WeakPolarHBondContact O-CG2 3.39Å; S183-V187 PolarHBondContact O-N 2.59Å; E184-V187 CarbonylContact O-C 3.52Å; E184-V187 PolarHBondContact O-N 2.77Å; V187-Y190 CarbonylContact O-C 3.41Å; V187-Y190 PolarHBondContact O-N 2.75Å; V187-Y190 VanDerWaalsContact O-N 3.16Å; V187-L191 HydrophobicContact CG1-CB 4.49Å; V187-L191 WeakPolarHBondContact O-CB 3.43Å; V187-L191 PolarHBondContact O-N 3.24Å; V187-L225 HydrophobicContact CG1-CD2 4.19Å |
| 188 | E | 61.4 | Low | 61.9 | Low | 89 Ų | 89 | 78.1 Ų | 78.1 | 42% | 0.416 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -67.7 | -35.6 | 177.5 | -166.6 | 125 | -125.8 | 0 | 0 | 112 | E184 S185 L186 Y190 L191 P192 R228 | E184-E188 VanDerWaalsContact O-CB 3.31Å; E184-E188 WeakPolarHBondContact O-CB 3.2Å; E184-E188 PolarHBondContact O-N 2.92Å; S185-E188 PolarHBondContact O-N 3.47Å; L186-E188 VanDerWaalsContact C-N 3.28Å; L186-E188 PolarHBondContact O-N 2.85Å; E188-Y190 PolarHBondContact O-N 3.3Å; E188-L191 CarbonylContact O-C 3.24Å; E188-L191 VanDerWaalsContact O-C 3.24Å; E188-L191 PolarHBondContact O-N 2.96Å; E188-L191 VanDerWaalsContact O-N 3.11Å; E188-P192 WeakPolarHBondContact O-CD 3.5Å; E188-R228 IonicContact OE1-NH1 2.71Å; E188-R228 PolarHBondContact OE1-NH1 3Å |
| 189 | Q | 56.6 | Low | 60.7 | Low | 138 Ų | 138 | 80 Ų | 80 | 65% | 0.645 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -62.6 | -31 | 171.2 | -172 | 170.4 | 16.1 | 0 | 0 | 112.4 | S185 L186 | S185-Q189 PolarHBondContact O-N 3.48Å; S185-Q189 VanDerWaalsContact O-N 3.09Å; L186-Q189 WeakPolarHBondContact O-CB 3.42Å; L186-Q189 PolarHBondContact O-N 3.44Å |
| 190 | Y | 52.3 | Low | 59.4 | Low | 139 Ų | 139 | 83.3 Ų | 83.3 | 55% | 0.545 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -93.2 | -8.8 | 174 | -64.6 | -69.3 | 0 | 0 | 0 | 113.7 | L186 V187 E188 | L186-Y190 WeakPolarHBondContact O-CD2 3.2Å; L186-Y190 PolarHBondContact O-N 3.21Å; V187-Y190 CarbonylContact O-C 3.41Å; V187-Y190 PolarHBondContact O-N 2.75Å; V187-Y190 VanDerWaalsContact O-N 3.16Å; E188-Y190 PolarHBondContact O-N 3.3Å |
| 191 | L | 57.5 | Low | 58.1 | Low | 37 Ų | 37 | 83.4 Ų | 83.4 | 19% | 0.194 | 43% | 0.434 | C | S | . | . | trans | -132.7 | 65.3 | -177.3 | -142.6 | 92.4 | 0 | 0 | 0 | 113.2 | V187 E188 L225 R228 | V187-L191 HydrophobicContact CG1-CB 4.49Å; V187-L191 WeakPolarHBondContact O-CB 3.43Å; V187-L191 PolarHBondContact O-N 3.24Å; E188-L191 CarbonylContact O-C 3.24Å; E188-L191 VanDerWaalsContact O-C 3.24Å; E188-L191 PolarHBondContact O-N 2.96Å; E188-L191 VanDerWaalsContact O-N 3.11Å; L191-L225 HydrophobicContact CD2-CD1 3.79Å; L191-R228 PolarHBondContact O-NH1 2.96Å; L191-R228 PolarHBondContact O-NH2 3.4Å | ||
| 192 | P | 46.6 | Very low | 56.9 | Low | 57 Ų | 57 | 84.1 Ų | 84.1 | 37% | 0.37 | 45% | 0.446 | S | S | . | . | trans | -108.3 | 128 | 162.2 | 34 | -22.9 | 0 | 0 | 0 | 111.2 | E188 R400 | E188-P192 WeakPolarHBondContact O-CD 3.5Å; P192-R400 PolarHBondContact O-NH1 2.97Å; P192-R400 VanDerWaalsContact O-NH1 3.11Å | ||
| 193 | L | 50.3 | Low | 55.6 | Low | 28 Ų | 28 | 88.2 Ų | 88.2 | 15% | 0.147 | 46% | 0.457 | C | S | . | . | trans | -153.8 | 121.9 | 145.4 | -83.9 | 172.9 | 0 | 0 | 0 | 106.1 | E197 L198 E201 R228 R400 | L193-E197 HydrophobicContact CD2-CB 3.09Å; L193-E197 HydrophobicContact CD2-CG 4.24Å; L193-E197 HydrophobicContact CG-CB 4.45Å; L193-L198 HydrophobicContact CD1-CD1 3.8Å; L193-E201 WeakPolarHBondContact CD1-OE2 3.22Å; L193-R228 VanDerWaalsContact N-NH2 3.12Å; L193-R228 PolarHBondContact O-NH2 3.28Å; L193-R400 VanDerWaalsContact CD2-NH2 3.28Å | ||
| 194 | S | 58.1 | Low | 54.5 | Low | 61 Ų | 61 | 89.6 Ų | 89.6 | 43% | 0.427 | 47% | 0.472 | S | S | . | . | trans | -73.7 | 168 | 157.4 | 66.1 | 0 | 0 | 0 | 0 | 108.8 | E196 E197 | S194-E196 PolarHBondContact O-N 2.88Å; S194-E196 VanDerWaalsContact O-N 3.15Å; S194-E197 PolarHBondContact O-N 3Å | ||
| 195 | E | 52.4 | Low | 53.4 | Low | 151 Ų | 151 | 91.1 Ų | 91.1 | 71% | 0.706 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -53.1 | -33.3 | -179.2 | -167.5 | 158.4 | -155.5 | 0 | 0 | 112.8 | ||
| 196 | E | 51.7 | Low | 52.2 | Low | 153 Ų | 153 | 97.5 Ų | 97.5 | 72% | 0.715 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -70.5 | -35.4 | -175 | -62.2 | 164.4 | -174.2 | 0 | 0 | 113.6 | S194 | S194-E196 PolarHBondContact O-N 2.88Å; S194-E196 VanDerWaalsContact O-N 3.15Å |
| 197 | E | 52.1 | Low | 50.9 | Low | 96 Ų | 96 | 95.6 Ų | 95.6 | 45% | 0.449 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -87.8 | -18.3 | -177.3 | -67.4 | 179.3 | 134.3 | 0 | 0 | 112.4 | L193 S194 L200 E201 | L193-E197 HydrophobicContact CD2-CB 3.09Å; L193-E197 HydrophobicContact CD2-CG 4.24Å; L193-E197 HydrophobicContact CG-CB 4.45Å; S194-E197 PolarHBondContact O-N 3Å; E197-L200 PolarHBondContact O-N 3.13Å; E197-E201 PolarHBondContact O-N 2.86Å |
| 198 | L | 53.9 | Low | 49.5 | Very low | 54 Ų | 54 | 100.6 Ų | 100.6 | 28% | 0.283 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -72.9 | -33.3 | 174.7 | -166.1 | 93.2 | 0 | 0 | 0 | 111.6 | L193 L200 E201 A202 | L193-L198 HydrophobicContact CD1-CD1 3.8Å; L198-L200 VanDerWaalsContact C-N 3.34Å; L198-E201 PolarHBondContact O-N 3.29Å; L198-A202 WeakPolarHBondContact O-CB 3.5Å; L198-A202 PolarHBondContact O-N 2.98Å |
| 199 | E | 52.3 | Low | 48.5 | Very low | 125 Ų | 125 | 105.7 Ų | 105.7 | 58% | 0.584 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -69 | -34.9 | 173.7 | -66.7 | -165.9 | 160.7 | 0 | 0 | 112 | K203 | E199-K203 WeakPolarHBondContact O-CB 3.34Å; E199-K203 VanDerWaalsContact O-CG 3.31Å; E199-K203 WeakPolarHBondContact O-CG 3.32Å; E199-K203 PolarHBondContact O-N 3.36Å |
| 200 | L | 49.8 | Very low | 48.1 | Very low | 126 Ų | 126 | 106.9 Ų | 106.9 | 66% | 0.66 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -67.3 | -43.2 | 171.9 | -89.1 | 157.5 | 0 | 0 | 0 | 111.6 | E197 L198 K203 A204 | E197-L200 PolarHBondContact O-N 3.13Å; L198-L200 VanDerWaalsContact C-N 3.34Å; L200-K203 PolarHBondContact O-N 3.34Å; L200-A204 VanDerWaalsContact O-CB 3.23Å; L200-A204 WeakPolarHBondContact O-CB 3.45Å; L200-A204 PolarHBondContact O-N 3.16Å |
| 201 | E | 48.4 | Very low | 48.3 | Very low | 56 Ų | 56 | 105 Ų | 105 | 26% | 0.262 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -73.5 | -32.8 | 178.1 | -151 | 178.1 | 154.7 | 0 | 0 | 112.3 | L193 E197 L198 A204 A205 K211 R400 | L193-E201 WeakPolarHBondContact CD1-OE2 3.22Å; E197-E201 PolarHBondContact O-N 2.86Å; L198-E201 PolarHBondContact O-N 3.29Å; E201-A204 PolarHBondContact O-N 3.43Å; E201-A205 WeakPolarHBondContact O-CA 2.94Å; E201-A205 WeakPolarHBondContact O-CB 3.43Å; E201-A205 PolarHBondContact O-N 2.93Å; E201-K211 IonicContact OE1-NZ 2.87Å; E201-K211 PolarHBondContact OE1-NZ 2.81Å; E201-R400 IonicContact OE2-CZ 3.13Å; E201-R400 IonicContact OE2-NE 2.68Å; E201-R400 IonicContact OE2-NH2 2.68Å; E201-R400 PolarHBondContact OE2-NH2 3.43Å |
| 202 | A | 48.2 | Very low | 48.5 | Very low | 75 Ų | 75 | 111.4 Ų | 111.4 | 62% | 0.62 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -69.5 | -32.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L198 | L198-A202 WeakPolarHBondContact O-CB 3.5Å; L198-A202 PolarHBondContact O-N 2.98Å |
| 203 | K | 45.6 | Very low | 49.8 | Very low | 168 Ų | 168 | 111.7 Ų | 111.7 | 73% | 0.73 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -75.5 | -32.6 | 171.5 | -75.7 | 175.3 | 179.1 | 169.3 | 0 | 112.3 | E199 L200 | E199-K203 WeakPolarHBondContact O-CB 3.34Å; E199-K203 VanDerWaalsContact O-CG 3.31Å; E199-K203 WeakPolarHBondContact O-CG 3.32Å; E199-K203 PolarHBondContact O-N 3.36Å; L200-K203 PolarHBondContact O-N 3.34Å |
| 204 | A | 47.3 | Very low | 51.2 | Low | 84 Ų | 84 | 114.5 Ų | 114.5 | 69% | 0.694 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -82.2 | -28.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.8 | L200 E201 K206 | L200-A204 VanDerWaalsContact O-CB 3.23Å; L200-A204 WeakPolarHBondContact O-CB 3.45Å; L200-A204 PolarHBondContact O-N 3.16Å; E201-A204 PolarHBondContact O-N 3.43Å; A204-K206 VanDerWaalsContact C-N 3.28Å; A204-K206 PolarHBondContact O-N 3.12Å |
| 205 | A | 44.4 | Very low | 52.4 | Low | 40 Ų | 40 | 117.4 Ų | 117.4 | 33% | 0.331 | 60% | 0.599 | S | S | . | * | trans | -90.2 | 37.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | E201 G207 | E201-A205 WeakPolarHBondContact O-CA 2.94Å; E201-A205 WeakPolarHBondContact O-CB 3.43Å; E201-A205 PolarHBondContact O-N 2.93Å; A205-G207 PolarHBondContact O-N 3.06Å | ||
| 206 | K | 39.4 | Very low | 54 | Low | 206 Ų | 206 | 111.8 Ų | 111.8 | 90% | 0.896 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | 18.9 | 170.6 | -126.9 | -179.8 | -173.9 | -179 | 0 | 113.6 | A204 | A204-K206 VanDerWaalsContact C-N 3.28Å; A204-K206 PolarHBondContact O-N 3.12Å |
| 207 | G | 37 | Very low | 55.9 | Low | 60 Ų | 60 | 110.4 Ų | 110.4 | 62% | 0.619 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -155.5 | 21.7 | -169.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | A205 | A205-G207 PolarHBondContact O-N 3.06Š|
| 208 | F | 33.6 | Very low | 57.5 | Low | 169 Ų | 169 | 105.9 Ų | 105.9 | 74% | 0.741 | 54% | 0.541 | S | S | * | . | trans | -131.5 | 86.5 | 169.5 | -74.6 | -81.7 | 0 | 0 | 0 | 110.7 | ||||
| 209 | E | 41.1 | Very low | 59 | Low | 196 Ų | 196 | 104.8 Ų | 104.8 | 92% | 0.916 | 54% | 0.544 | S | S | * | . | trans | -66.8 | 135.3 | 161.9 | -66.2 | -166.4 | 153.9 | 0 | 0 | 108.8 | ||||
| 210 | N | 47.8 | Very low | 60.5 | Low | 164 Ų | 164 | 103.6 Ų | 103.6 | 88% | 0.877 | 55% | 0.548 | S | S | * | . | trans | 79.9 | 56.4 | -175.5 | -70.8 | -18.7 | 0 | 0 | 0 | 118.5 | ||||
| 211 | K | 55.7 | Low | 62.1 | Low | 99 Ų | 99 | 98.5 Ų | 98.5 | 43% | 0.43 | 52% | 0.521 | S | S | . | . | trans | -83.1 | 114.8 | 147.4 | -72.1 | -177.2 | 177.8 | 177.9 | 0 | 108.4 | E201 S213 Y398 | E201-K211 IonicContact OE1-NZ 2.87Å; E201-K211 PolarHBondContact OE1-NZ 2.81Å; K211-S213 PolarHBondContact O-N 3.15Å; K211-Y398 HydrophobicContact CB-CD1 3.78Å; K211-Y398 HydrophobicContact CB-CE1 4.14Å | ||
| 212 | E | 61.8 | Low | 63.7 | Low | 172 Ų | 172 | 97.2 Ų | 97.2 | 80% | 0.804 | 52% | 0.518 | S | S | * | . | trans | -58 | 109.6 | 175.4 | -69.5 | -175.8 | 172.8 | 0 | 0 | 109.8 | ||||
| 213 | S | 74.8 | Confident | 65.2 | Low | 62 Ų | 62 | 97.6 Ų | 97.6 | 43% | 0.434 | 51% | 0.513 | S | S | . | . | trans | -87.2 | 130.3 | 177.6 | 71.4 | 0 | 0 | 0 | 0 | 110 | K211 | K211-S213 PolarHBondContact O-N 3.15Š| ||
| 214 | Y | 79 | Confident | 66.9 | Low | 87 Ų | 87 | 94.4 Ų | 94.4 | 34% | 0.341 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 152.2 | 177.5 | 64.5 | -86.6 | 0 | 0 | 0 | 111.6 | V216 F397 P399 | Y214-V216 HydrophobicContact CD2-CG2 3.54Å; Y214-V216 HydrophobicContact CE2-CG2 3.72Å; Y214-F397 HydrophobicContact CD1-CB 4.22Å; Y214-F397 WeakPolarHBondContact CD1-O 3.45Å; Y214-F397 HydrophobicContact CD2-CB 3.93Å; Y214-F397 HydrophobicContact CD2-CD2 4.41Å; Y214-F397 HydrophobicContact CE1-CB 3.73Å; Y214-F397 WeakPolarHBondContact CE1-O 3.46Å; Y214-F397 HydrophobicContact CE2-CB 3.42Å; Y214-F397 VanDerWaalsContact CE2-CB 3.42Å; Y214-F397 HydrophobicContact CE2-CD2 4.13Å; Y214-F397 HydrophobicContact CE2-CG 4.08Å; Y214-F397 HydrophobicContact CG-CB 4.3Å; Y214-F397 PolarHBondContact N-O 3.47Å; Y214-F397 PolarHBondContact O-N 3.41Å; Y214-P399 HydrophobicContact CD1-CG 4Å; Y214-P399 HydrophobicContact CE1-CB 4.45Å; Y214-P399 HydrophobicContact CE1-CG 3.64Å |
| 215 | Y | 84.4 | Confident | 68.5 | Low | 123 Ų | 123 | 92.2 Ų | 92.2 | 48% | 0.482 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 136 | 178.6 | -71.8 | -96.9 | 0 | 0 | 0 | 109.1 | L393 V394 | Y215-L393 HydrophobicContact CD1-CD2 4.39Å; Y215-L393 HydrophobicContact CD1-CG 4.26Å; Y215-L393 HydrophobicContact CG-CD2 4.36Å; Y215-L393 HydrophobicContact CG-CG 4.37Å; Y215-V394 WeakPolarHBondContact CA-O 3.33Å |
| 216 | V | 85.6 | Confident | 70.5 | Confident | 33 Ų | 33 | 93.4 Ų | 93.4 | 20% | 0.2 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 140.6 | -176.8 | -168.9 | 0 | 0 | 0 | 0 | 110.4 | Y214 C220 L221 V394 F397 | Y214-V216 HydrophobicContact CD2-CG2 3.54Å; Y214-V216 HydrophobicContact CE2-CG2 3.72Å; V216-C220 HydrophobicContact CG1-CB 4.26Å; V216-L221 HydrophobicContact CB-CD2 4.18Å; V216-L221 HydrophobicContact CG1-CD2 3.53Å; V216-L221 HydrophobicContact CG1-CG 4.02Å; V216-V394 PolarHBondContact N-O 2.99Å; V216-V394 PolarHBondContact O-N 2.7Å; V216-F397 HydrophobicContact CB-CE2 4.42Å; V216-F397 HydrophobicContact CG2-CD2 4.21Å; V216-F397 HydrophobicContact CG2-CE2 4.48Å |
| 217 | R | 90.7 | Very high | 72.6 | Confident | 124 Ų | 124 | 91 Ų | 91 | 47% | 0.468 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 131.4 | 174.2 | -178.6 | 175.8 | -71.5 | -172.1 | 14 | 109.7 | G219 C220 L390 N391 W392 | R217-G219 PolarHBondContact O-N 3.02Å; R217-G219 VanDerWaalsContact O-N 3.09Å; R217-C220 WeakPolarHBondContact O-CB 3.25Å; R217-C220 PolarHBondContact O-N 3.42Å; R217-L390 WeakPolarHBondContact CG-O 3.14Å; R217-N391 WeakPolarHBondContact CD-OD1 3.36Å; R217-N391 PolarHBondContact NH1-OD1 2.83Å; R217-W392 WeakPolarHBondContact CA-O 3.25Å |
| 218 | L | 86.7 | Confident | 74.8 | Confident | 0 Ų | 0 | 92.1 Ų | 92.1 | 0% | 0 | 45% | 0.447 | C | S | . | . | G | 310 helix | trans | -51.7 | -37.7 | -176.2 | -109.2 | 80.4 | 0 | 0 | 0 | 114.3 | C220 L221 R226 Y230 T388 L390 W392 V394 | L218-C220 PolarHBondContact O-N 3.07Å; L218-L221 WeakPolarHBondContact O-CB 3.03Å; L218-L221 PolarHBondContact O-N 3.07Å; L218-R226 HydrophobicContact CB-CG 4.33Å; L218-R226 HydrophobicContact CD2-CG 4.05Å; L218-R226 HydrophobicContact CG-CG 4.04Å; L218-R226 PolarHBondContact O-NE 3.49Å; L218-Y230 HydrophobicContact CD2-CD2 3.95Å; L218-Y230 HydrophobicContact CD2-CG 4.4Å; L218-T388 HydrophobicContact CD2-CG2 4.05Å; L218-L390 PolarHBondContact N-O 3.26Å; L218-W392 HydrophobicContact CD1-CB 4.3Å; L218-W392 HydrophobicContact CD1-CD2 4.41Å; L218-W392 HydrophobicContact CD1-CE3 4.09Å; L218-W392 HydrophobicContact CD2-CE3 4.35Å; L218-W392 PolarHBondContact N-O 2.78Å; L218-V394 HydrophobicContact CD1-CB 3.8Å; L218-V394 HydrophobicContact CD1-CG2 3.14Å |
| 219 | G | 85.9 | Confident | 77.3 | Confident | 32 Ų | 32 | 84.1 Ų | 84.1 | 33% | 0.33 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -66.7 | -22.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R217 L221 L390 | R217-G219 PolarHBondContact O-N 3.02Å; R217-G219 VanDerWaalsContact O-N 3.09Å; G219-L221 VanDerWaalsContact C-N 3.3Å; G219-L390 PolarHBondContact N-O 2.88Å |
| 220 | C | 83.3 | Confident | 79.6 | Confident | 99 Ų | 99 | 76.5 Ų | 76.5 | 67% | 0.669 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -82.4 | -11 | 177.6 | -58 | 0 | 0 | 0 | 0 | 112.8 | V216 R217 L218 | V216-C220 HydrophobicContact CG1-CB 4.26Å; R217-C220 WeakPolarHBondContact O-CB 3.25Å; R217-C220 PolarHBondContact O-N 3.42Å; L218-C220 PolarHBondContact O-N 3.07Å |
| 221 | L | 82.6 | Confident | 81.5 | Confident | 20 Ų | 20 | 72.7 Ų | 72.7 | 11% | 0.105 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -88.6 | 147.8 | 179.9 | -56.7 | 176.9 | 0 | 0 | 0 | 110.5 | V216 L218 G219 L225 R226 A229 | V216-L221 HydrophobicContact CB-CD2 4.18Å; V216-L221 HydrophobicContact CG1-CD2 3.53Å; V216-L221 HydrophobicContact CG1-CG 4.02Å; L218-L221 WeakPolarHBondContact O-CB 3.03Å; L218-L221 PolarHBondContact O-N 3.07Å; G219-L221 VanDerWaalsContact C-N 3.3Å; L221-L225 HydrophobicContact CB-CB 4.42Å; L221-L225 HydrophobicContact CB-CG 4.39Å; L221-L225 HydrophobicContact CD1-CG 4.37Å; L221-L225 HydrophobicContact CD2-CD2 3.75Å; L221-L225 HydrophobicContact CD2-CG 4.09Å; L221-R226 HydrophobicContact CB-CB 3.97Å; L221-R226 PolarHBondContact O-NE 2.86Å; L221-R226 PolarHBondContact O-NH2 2.93Å; L221-A229 HydrophobicContact CD1-CB 3.6Å |
| 222 | S | 82.7 | Confident | 83 | Confident | 28 Ų | 28 | 71.3 Ų | 71.3 | 20% | 0.196 | 35% | 0.35 | C | S | . | . | trans | -61.9 | 167.5 | 169.2 | 75.2 | 0 | 0 | 0 | 0 | 111.2 | E184 K224 L225 R226 | E184-S222 VanDerWaalsContact CD-OG 3.31Å; E184-S222 WeakPolarHBondContact CG-OG 3.21Å; E184-S222 WeakPolarHBondContact OE1-CB 3.15Å; E184-S222 PolarHBondContact OE1-OG 3.29Å; S222-K224 PolarHBondContact O-N 3.17Å; S222-L225 PolarHBondContact O-N 3.01Å; S222-L225 WeakPolarHBondContact OG-CB 3.42Å; S222-R226 WeakPolarHBondContact O-CB 3.2Å; S222-R226 PolarHBondContact O-N 3.25Å | ||
| 223 | T | 80.9 | Confident | 84.3 | Confident | 84 Ų | 84 | 63.5 Ų | 63.5 | 52% | 0.515 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.5 | -39.6 | -169.6 | 53 | 0 | 0 | 0 | 0 | 112.9 | E184 K227 | E184-T223 PolarHBondContact OE1-N 3.38Å; E184-T223 VanDerWaalsContact OE1-N 3.15Å; T223-K227 PolarHBondContact O-N 3.38Å; T223-K227 VanDerWaalsContact O-N 3.12Å |
| 224 | K | 80 | Confident | 85.1 | Confident | 100 Ų | 100 | 61.5 Ų | 61.5 | 44% | 0.435 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -72.1 | -47.1 | 176.9 | -66.5 | -173.8 | -168.5 | 173.4 | 0 | 112.2 | E184 S222 R226 K227 R228 | E184-K224 PolarHBondContact OE1-N 3.07Å; E184-K224 WeakPolarHBondContact OE2-CD 3.15Å; E184-K224 WeakPolarHBondContact OE2-CE 3.35Å; E184-K224 WeakPolarHBondContact OE2-CG 3.44Å; S222-K224 PolarHBondContact O-N 3.17Å; K224-R226 VanDerWaalsContact C-N 3.29Å; K224-R226 PolarHBondContact O-N 3.36Å; K224-K227 PolarHBondContact O-N 2.98Å; K224-K227 VanDerWaalsContact O-N 3.15Å; K224-R228 PolarHBondContact O-N 3.02Å |
| 225 | L | 80.5 | Confident | 85.6 | Confident | 38 Ų | 38 | 59.5 Ų | 59.5 | 20% | 0.199 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.7 | -37.6 | -179.8 | -174.7 | 56.8 | 0 | 0 | 0 | 111.1 | V187 L191 L221 S222 R228 A229 | V187-L225 HydrophobicContact CG1-CD2 4.19Å; L191-L225 HydrophobicContact CD2-CD1 3.79Å; L221-L225 HydrophobicContact CB-CB 4.42Å; L221-L225 HydrophobicContact CB-CG 4.39Å; L221-L225 HydrophobicContact CD1-CG 4.37Å; L221-L225 HydrophobicContact CD2-CD2 3.75Å; L221-L225 HydrophobicContact CD2-CG 4.09Å; S222-L225 PolarHBondContact O-N 3.01Å; S222-L225 WeakPolarHBondContact OG-CB 3.42Å; L225-R228 PolarHBondContact O-N 3.44Å; L225-A229 WeakPolarHBondContact O-CB 3.05Å; L225-A229 PolarHBondContact O-N 3.24Å |
| 226 | R | 86.2 | Confident | 85.8 | Confident | 66 Ų | 66 | 57.8 Ų | 57.8 | 25% | 0.249 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.6 | -48.3 | 171.6 | -173.3 | -173.4 | -55.1 | 160.1 | 7.9 | 111.4 | L218 L221 S222 K224 R228 A229 Y230 | L218-R226 HydrophobicContact CB-CG 4.33Å; L218-R226 HydrophobicContact CD2-CG 4.05Å; L218-R226 HydrophobicContact CG-CG 4.04Å; L218-R226 PolarHBondContact O-NE 3.49Å; L221-R226 HydrophobicContact CB-CB 3.97Å; L221-R226 PolarHBondContact O-NE 2.86Å; L221-R226 PolarHBondContact O-NH2 2.93Å; S222-R226 WeakPolarHBondContact O-CB 3.2Å; S222-R226 PolarHBondContact O-N 3.25Å; K224-R226 VanDerWaalsContact C-N 3.29Å; K224-R226 PolarHBondContact O-N 3.36Å; R226-R228 VanDerWaalsContact C-N 3.34Å; R226-R228 PolarHBondContact O-N 3.4Å; R226-A229 PolarHBondContact O-N 3Å; R226-Y230 WeakPolarHBondContact O-CB 3.4Å; R226-Y230 PolarHBondContact O-N 2.76Å |
| 227 | K | 85 | Confident | 86.1 | Confident | 155 Ų | 155 | 56.8 Ų | 56.8 | 67% | 0.674 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -59 | -46.1 | 179.2 | -174.4 | 178.6 | 179.6 | -178.6 | 0 | 111.2 | T223 K224 Y230 T231 | T223-K227 PolarHBondContact O-N 3.38Å; T223-K227 VanDerWaalsContact O-N 3.12Å; K224-K227 PolarHBondContact O-N 2.98Å; K224-K227 VanDerWaalsContact O-N 3.15Å; K227-Y230 WeakPolarHBondContact O-CB 3.01Å; K227-Y230 PolarHBondContact O-N 2.76Å; K227-T231 PolarHBondContact O-N 3.5Å; K227-T231 PolarHBondContact O-OG1 3.14Å; K227-T231 VanDerWaalsContact O-OG1 3.06Å |
| 228 | R | 82.7 | Confident | 86.1 | Confident | 83 Ų | 83 | 53.5 Ų | 53.5 | 31% | 0.313 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.8 | -46.7 | 179.4 | -174.9 | 174.4 | 175 | -158.5 | -10.5 | 112.8 | E188 L191 L193 K224 L225 R226 Y230 T231 R232 | E188-R228 IonicContact OE1-NH1 2.71Å; E188-R228 PolarHBondContact OE1-NH1 3Å; L191-R228 PolarHBondContact O-NH1 2.96Å; L191-R228 PolarHBondContact O-NH2 3.4Å; L193-R228 VanDerWaalsContact N-NH2 3.12Å; L193-R228 PolarHBondContact O-NH2 3.28Å; K224-R228 PolarHBondContact O-N 3.02Å; L225-R228 PolarHBondContact O-N 3.44Å; R226-R228 VanDerWaalsContact C-N 3.34Å; R226-R228 PolarHBondContact O-N 3.4Å; R228-Y230 VanDerWaalsContact C-N 3.28Å; R228-Y230 PolarHBondContact O-N 3.32Å; R228-T231 PolarHBondContact O-N 3.24Å; R228-R232 WeakPolarHBondContact O-CB 3.3Å; R228-R232 PolarHBondContact O-N 2.89Å |
| 229 | A | 85.4 | Confident | 86.4 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 2% | 0.017 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.8 | -43.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L221 L225 R226 A233 V394 F397 | L221-A229 HydrophobicContact CD1-CB 3.6Å; L225-A229 WeakPolarHBondContact O-CB 3.05Å; L225-A229 PolarHBondContact O-N 3.24Å; R226-A229 PolarHBondContact O-N 3Å; A229-A233 VanDerWaalsContact O-CB 3.25Å; A229-A233 WeakPolarHBondContact O-CB 3.42Å; A229-A233 PolarHBondContact O-N 2.87Å; A229-V394 HydrophobicContact CB-CG1 4.37Å; A229-F397 HydrophobicContact CB-CE1 4.41Å; A229-F397 HydrophobicContact CB-CZ 3.78Å |
| 230 | Y | 89.2 | Confident | 86.6 | Confident | 36 Ų | 36 | 56.9 Ų | 56.9 | 14% | 0.141 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.6 | -53.7 | 175.4 | 174.1 | -101.3 | 0 | 0 | 0 | 111.9 | L218 R226 K227 R228 R232 A233 V234 L384 T388 W392 | L218-Y230 HydrophobicContact CD2-CD2 3.95Å; L218-Y230 HydrophobicContact CD2-CG 4.4Å; R226-Y230 WeakPolarHBondContact O-CB 3.4Å; R226-Y230 PolarHBondContact O-N 2.76Å; K227-Y230 WeakPolarHBondContact O-CB 3.01Å; K227-Y230 PolarHBondContact O-N 2.76Å; R228-Y230 VanDerWaalsContact C-N 3.28Å; R228-Y230 PolarHBondContact O-N 3.32Å; Y230-R232 VanDerWaalsContact C-N 3.3Å; Y230-R232 PolarHBondContact O-N 2.87Å; Y230-A233 PolarHBondContact O-N 3.07Å; Y230-A233 VanDerWaalsContact O-N 3.11Å; Y230-V234 HydrophobicContact CD1-CG2 4.42Å; Y230-V234 HydrophobicContact CD2-CG2 4.03Å; Y230-V234 HydrophobicContact CE1-CG2 4.05Å; Y230-V234 HydrophobicContact CE2-CG2 3.61Å; Y230-V234 HydrophobicContact CG-CG2 4.41Å; Y230-V234 WeakPolarHBondContact O-CG2 3.5Å; Y230-V234 PolarHBondContact O-N 2.76Å; Y230-L384 PolarHBondContact OH-O 2.99Å; Y230-T388 HydrophobicContact CD2-CG2 4.39Å; Y230-W392 HydrophobicContact CD2-CE3 4.22Å; Y230-W392 AromaticContact CD2-CZ3 3.78Å; Y230-W392 HydrophobicContact CD2-CZ3 3.78Å; Y230-W392 HydrophobicContact CE2-CZ3 4.04Å |
| 231 | T | 88.3 | Confident | 87 | Confident | 83 Ų | 83 | 53.5 Ų | 53.5 | 51% | 0.509 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -57.1 | -43.8 | 179.3 | -61.1 | 0 | 0 | 0 | 0 | 111.7 | K227 R228 V234 A235 | K227-T231 PolarHBondContact O-N 3.5Å; K227-T231 PolarHBondContact O-OG1 3.14Å; K227-T231 VanDerWaalsContact O-OG1 3.06Å; R228-T231 PolarHBondContact O-N 3.24Å; T231-V234 PolarHBondContact O-N 3.32Å; T231-A235 WeakPolarHBondContact O-CB 3.39Å; T231-A235 PolarHBondContact O-N 3.36Å |
| 232 | R | 86.6 | Confident | 87.4 | Confident | 70 Ų | 70 | 58.1 Ų | 58.1 | 26% | 0.264 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 176.5 | -177.8 | 176.8 | 178.6 | 92.3 | -6.5 | 112.5 | R228 Y230 A235 R236 | R228-R232 WeakPolarHBondContact O-CB 3.3Å; R228-R232 PolarHBondContact O-N 2.89Å; Y230-R232 VanDerWaalsContact C-N 3.3Å; Y230-R232 PolarHBondContact O-N 2.87Å; R232-A235 PolarHBondContact O-N 3.35Å; R232-R236 PolarHBondContact O-N 3.44Å; R232-R236 VanDerWaalsContact O-N 3.1Å |
| 233 | A | 89.5 | Confident | 87.8 | Confident | 8 Ų | 8 | 62.1 Ų | 62.1 | 7% | 0.066 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.3 | -45 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A229 Y230 R236 I237 W392 V394 | A229-A233 VanDerWaalsContact O-CB 3.25Å; A229-A233 WeakPolarHBondContact O-CB 3.42Å; A229-A233 PolarHBondContact O-N 2.87Å; Y230-A233 PolarHBondContact O-N 3.07Å; Y230-A233 VanDerWaalsContact O-N 3.11Å; A233-R236 PolarHBondContact O-N 3.24Å; A233-I237 WeakPolarHBondContact O-CG1 3.42Å; A233-I237 PolarHBondContact O-N 3.43Å; A233-W392 HydrophobicContact CB-CH2 3.3Å; A233-W392 HydrophobicContact CB-CZ2 3.69Å; A233-W392 HydrophobicContact CB-CZ3 3.75Å; A233-V394 HydrophobicContact CB-CB 4.26Å; A233-V394 HydrophobicContact CB-CG1 3.64Å; A233-V394 HydrophobicContact CB-CG2 3.52Å |
| 234 | V | 91.3 | Very high | 88.3 | Confident | 20 Ų | 20 | 58.1 Ų | 58.1 | 12% | 0.121 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.6 | -44 | 176.6 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | Y230 T231 R236 I237 Q238 M381 W392 | Y230-V234 HydrophobicContact CD1-CG2 4.42Å; Y230-V234 HydrophobicContact CD2-CG2 4.03Å; Y230-V234 HydrophobicContact CE1-CG2 4.05Å; Y230-V234 HydrophobicContact CE2-CG2 3.61Å; Y230-V234 HydrophobicContact CG-CG2 4.41Å; Y230-V234 WeakPolarHBondContact O-CG2 3.5Å; Y230-V234 PolarHBondContact O-N 2.76Å; T231-V234 PolarHBondContact O-N 3.32Å; V234-R236 VanDerWaalsContact C-N 3.31Å; V234-R236 PolarHBondContact O-N 3.21Å; V234-I237 PolarHBondContact O-N 2.64Å; V234-Q238 WeakPolarHBondContact O-CB 3.21Å; V234-Q238 PolarHBondContact O-N 3.31Å; V234-M381 HydrophobicContact CG1-CE 3.56Å; V234-M381 HydrophobicContact CG1-SD 4.49Å; V234-W392 HydrophobicContact CG2-CH2 3.99Å; V234-W392 HydrophobicContact CG2-CZ3 3.98Å |
| 235 | A | 90.1 | Very high | 88.8 | Confident | 46 Ų | 46 | 55.7 Ų | 55.7 | 38% | 0.38 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -57.9 | -42 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T231 R232 Q238 E239 | T231-A235 WeakPolarHBondContact O-CB 3.39Å; T231-A235 PolarHBondContact O-N 3.36Å; R232-A235 PolarHBondContact O-N 3.35Å; A235-Q238 WeakPolarHBondContact O-CB 3.48Å; A235-Q238 PolarHBondContact O-N 3.08Å; A235-E239 WeakPolarHBondContact O-CB 3.38Å; A235-E239 PolarHBondContact O-N 3.46Å |
| 236 | R | 89.3 | Confident | 89.3 | Confident | 86 Ų | 86 | 55.8 Ų | 55.8 | 33% | 0.325 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 175.3 | -77.1 | -174 | 171.2 | 176.2 | -5.2 | 113.5 | R232 A233 V234 Q238 G240 G395 | R232-R236 PolarHBondContact O-N 3.44Å; R232-R236 VanDerWaalsContact O-N 3.1Å; A233-R236 PolarHBondContact O-N 3.24Å; V234-R236 VanDerWaalsContact C-N 3.31Å; V234-R236 PolarHBondContact O-N 3.21Å; R236-Q238 VanDerWaalsContact C-N 3.32Å; R236-G240 PolarHBondContact O-N 2.9Å; R236-G395 PolarHBondContact NH1-O 2.96Å |
| 237 | I | 91.3 | Very high | 89.4 | Confident | 13 Ų | 13 | 54 Ų | 54 | 7% | 0.067 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.3 | -39.8 | 176.1 | -63.5 | -60.4 | 0 | 0 | 0 | 110.2 | A233 V234 G240 K241 L320 L324 L384 W392 | A233-I237 WeakPolarHBondContact O-CG1 3.42Å; A233-I237 PolarHBondContact O-N 3.43Å; V234-I237 PolarHBondContact O-N 2.64Å; I237-G240 PolarHBondContact O-N 2.86Å; I237-K241 WeakPolarHBondContact O-CB 3.44Å; I237-K241 PolarHBondContact O-N 3.11Å; I237-L320 HydrophobicContact CD1-CD2 3.9Å; I237-L320 HydrophobicContact CG2-CD2 4.24Å; I237-L324 HydrophobicContact CD1-CD2 4.14Å; I237-L324 HydrophobicContact CD1-CG 4.32Å; I237-L324 HydrophobicContact CG1-CD2 4.45Å; I237-L384 HydrophobicContact CB-CD1 4.12Å; I237-L384 HydrophobicContact CG1-CD1 4.2Å; I237-L384 HydrophobicContact CG2-CD1 3.7Å; I237-W392 HydrophobicContact CG1-CZ2 4.09Å |
| 238 | Q | 91.8 | Very high | 89.7 | Confident | 55 Ų | 55 | 47 Ų | 47 | 26% | 0.257 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.4 | -47.3 | 175.3 | -179.3 | 61.5 | 25.6 | 0 | 0 | 111.7 | V234 A235 R236 G240 K241 E242 M381 | V234-Q238 WeakPolarHBondContact O-CB 3.21Å; V234-Q238 PolarHBondContact O-N 3.31Å; A235-Q238 WeakPolarHBondContact O-CB 3.48Å; A235-Q238 PolarHBondContact O-N 3.08Å; R236-Q238 VanDerWaalsContact C-N 3.32Å; Q238-G240 VanDerWaalsContact C-N 3.31Å; Q238-G240 PolarHBondContact O-N 3.46Å; Q238-K241 WeakPolarHBondContact O-CB 3.42Å; Q238-K241 PolarHBondContact O-N 2.84Å; Q238-K241 VanDerWaalsContact O-N 3.15Å; Q238-E242 PolarHBondContact NE2-OE1 3.45Å; Q238-E242 WeakPolarHBondContact O-CG 3.21Å; Q238-E242 PolarHBondContact O-N 3.06Å; Q238-M381 HydrophobicContact CB-CE 4.11Å; Q238-M381 HydrophobicContact CB-SD 4.45Å; Q238-M381 HydrophobicContact CG-CE 4.48Å; Q238-M381 PolarHBondContact OE1-SD 2.85Å; Q238-M381 VanDerWaalsContact OE1-SD 3.38Å |
| 239 | E | 91.2 | Very high | 90.1 | Very high | 96 Ų | 96 | 46.5 Ų | 46.5 | 45% | 0.449 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.5 | -42.1 | 175.1 | -168.6 | -152.6 | 142.8 | 0 | 0 | 111.6 | A235 E242 R243 | A235-E239 WeakPolarHBondContact O-CB 3.38Å; A235-E239 PolarHBondContact O-N 3.46Å; E239-E242 PolarHBondContact O-N 2.83Å; E239-R243 WeakPolarHBondContact O-CB 3.41Å; E239-R243 PolarHBondContact O-N 3.42Å; E239-R243 IonicContact OE1-CZ 3.26Å; E239-R243 VanDerWaalsContact OE1-CZ 3.28Å; E239-R243 IonicContact OE1-NH1 2.64Å; E239-R243 PolarHBondContact OE1-NH1 3.41Å; E239-R243 IonicContact OE1-NH2 3.92Å; E239-R243 PolarHBondContact OE1-NH2 3.39Å |
| 240 | G | 90 | Very high | 90.2 | Very high | 6 Ų | 6 | 51.2 Ų | 51.2 | 6% | 0.062 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.1 | -36.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R236 I237 Q238 S244 | R236-G240 PolarHBondContact O-N 2.9Å; I237-G240 PolarHBondContact O-N 2.86Å; Q238-G240 VanDerWaalsContact C-N 3.31Å; Q238-G240 PolarHBondContact O-N 3.46Å; G240-S244 WeakPolarHBondContact O-CB 3.29Å; G240-S244 PolarHBondContact O-N 2.99Å; G240-S244 PolarHBondContact O-OG 3.39Å |
| 241 | K | 91.8 | Very high | 90.2 | Very high | 29 Ų | 29 | 49.5 Ų | 49.5 | 13% | 0.126 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.4 | -49.9 | 172.7 | 170.8 | -179.1 | 177.4 | 179.4 | 0 | 111 | I237 Q238 R243 S244 M245 L377 D378 M381 | I237-K241 WeakPolarHBondContact O-CB 3.44Å; I237-K241 PolarHBondContact O-N 3.11Å; Q238-K241 WeakPolarHBondContact O-CB 3.42Å; Q238-K241 PolarHBondContact O-N 2.84Å; Q238-K241 VanDerWaalsContact O-N 3.15Å; K241-R243 VanDerWaalsContact C-N 3.34Å; K241-R243 PolarHBondContact O-N 2.93Å; K241-S244 WeakPolarHBondContact O-CB 3.33Å; K241-S244 PolarHBondContact O-N 3.19Å; K241-M245 HydrophobicContact CG-CG 4.46Å; K241-M245 WeakPolarHBondContact O-CB 3.11Å; K241-M245 WeakPolarHBondContact O-CG 3.41Å; K241-M245 PolarHBondContact O-N 3.13Å; K241-L377 HydrophobicContact CG-CB 4.29Å; K241-D378 WeakPolarHBondContact CE-OD1 3.44Å; K241-D378 IonicContact NZ-OD1 3.77Å; K241-D378 PolarHBondContact NZ-OD1 3.42Å; K241-M381 HydrophobicContact CD-CB 4.04Å; K241-M381 HydrophobicContact CD-CG 4.29Å |
| 242 | E | 92.2 | Very high | 90.3 | Very high | 116 Ų | 116 | 47.8 Ų | 47.8 | 54% | 0.542 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.6 | -44.9 | 178.9 | -73.8 | 170.5 | -167.9 | 0 | 0 | 111.7 | Q238 E239 S244 M245 G246 | Q238-E242 PolarHBondContact NE2-OE1 3.45Å; Q238-E242 WeakPolarHBondContact O-CG 3.21Å; Q238-E242 PolarHBondContact O-N 3.06Å; E239-E242 PolarHBondContact O-N 2.83Å; E242-S244 PolarHBondContact O-N 3.46Å; E242-M245 WeakPolarHBondContact O-CB 3.25Å; E242-M245 PolarHBondContact O-N 2.67Å; E242-G246 PolarHBondContact O-N 3.21Å |
| 243 | R | 90.9 | Very high | 90.3 | Very high | 112 Ų | 112 | 47.8 Ų | 47.8 | 42% | 0.423 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.8 | -45.2 | 174.1 | -176.5 | -179.2 | -73.5 | 106.1 | -5.9 | 112.1 | E239 K241 M245 G246 F247 T316 | E239-R243 WeakPolarHBondContact O-CB 3.41Å; E239-R243 PolarHBondContact O-N 3.42Å; E239-R243 IonicContact OE1-CZ 3.26Å; E239-R243 VanDerWaalsContact OE1-CZ 3.28Å; E239-R243 IonicContact OE1-NH1 2.64Å; E239-R243 PolarHBondContact OE1-NH1 3.41Å; E239-R243 IonicContact OE1-NH2 3.92Å; E239-R243 PolarHBondContact OE1-NH2 3.39Å; K241-R243 VanDerWaalsContact C-N 3.34Å; K241-R243 PolarHBondContact O-N 2.93Å; R243-M245 VanDerWaalsContact C-N 3.34Å; R243-M245 PolarHBondContact O-N 3.44Å; R243-G246 PolarHBondContact O-N 3.02Å; R243-F247 HydrophobicContact CG-CD2 4.19Å; R243-F247 HydrophobicContact CG-CE2 3.48Å; R243-F247 VanDerWaalsContact CG-CE2 3.48Å; R243-F247 HydrophobicContact CG-CZ 3.9Å; R243-F247 VanDerWaalsContact O-CD2 3.26Å; R243-F247 WeakPolarHBondContact O-CD2 3.13Å; R243-F247 PolarHBondContact O-N 3.15Å; R243-F247 VanDerWaalsContact O-N 3.16Å; R243-T316 HydrophobicContact CB-CG2 4.44Å; R243-T316 HydrophobicContact CG-CG2 4.26Å |
| 244 | S | 91.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.8 | -41.2 | 177 | -58 | 0 | 0 | 0 | 0 | 111.6 | G240 K241 E242 G246 F247 I248 T316 | G240-S244 WeakPolarHBondContact O-CB 3.29Å; G240-S244 PolarHBondContact O-N 2.99Å; G240-S244 PolarHBondContact O-OG 3.39Å; K241-S244 WeakPolarHBondContact O-CB 3.33Å; K241-S244 PolarHBondContact O-N 3.19Å; E242-S244 PolarHBondContact O-N 3.46Å; S244-G246 PolarHBondContact O-N 3.1Å; S244-F247 PolarHBondContact O-N 3.49Å; S244-I248 WeakPolarHBondContact O-CD1 3.41Å; S244-I248 WeakPolarHBondContact O-CG1 3.39Å; S244-I248 PolarHBondContact O-N 3.09Å; S244-T316 VanDerWaalsContact OG-CG2 3.32Å; S244-T316 WeakPolarHBondContact OG-CG2 3.34Å |
| 245 | M | 91.3 | Very high | 90 | Very high | 50 Ų | 50 | 47.2 Ų | 47.2 | 25% | 0.246 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.7 | -39.6 | 176.2 | -76.9 | -58.8 | -58.4 | 0 | 0 | 112.8 | K241 E242 R243 I248 S249 K374 | K241-M245 HydrophobicContact CG-CG 4.46Å; K241-M245 WeakPolarHBondContact O-CB 3.11Å; K241-M245 WeakPolarHBondContact O-CG 3.41Å; K241-M245 PolarHBondContact O-N 3.13Å; E242-M245 WeakPolarHBondContact O-CB 3.25Å; E242-M245 PolarHBondContact O-N 2.67Å; R243-M245 VanDerWaalsContact C-N 3.34Å; R243-M245 PolarHBondContact O-N 3.44Å; M245-I248 PolarHBondContact O-N 3.24Å; M245-I248 HydrophobicContact SD-CD1 4.07Å; M245-S249 PolarHBondContact O-N 3.48Å; M245-K374 HydrophobicContact CE-CD 3.72Å; M245-K374 HydrophobicContact CE-CG 3.86Å; M245-K374 HydrophobicContact SD-CB 4.08Å; M245-K374 HydrophobicContact SD-CD 4.23Å; M245-K374 HydrophobicContact SD-CG 3.7Å |
| 246 | G | 89.5 | Confident | 89.8 | Confident | 39 Ų | 39 | 48.9 Ų | 48.9 | 40% | 0.402 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -57.7 | -50.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112 | E242 R243 S244 I248 S249 E250 | E242-G246 PolarHBondContact O-N 3.21Å; R243-G246 PolarHBondContact O-N 3.02Å; S244-G246 PolarHBondContact O-N 3.1Å; G246-I248 PolarHBondContact O-N 3.42Å; G246-S249 PolarHBondContact O-N 3.39Å; G246-E250 PolarHBondContact O-N 3.21Å |
| 247 | F | 89.5 | Confident | 89.6 | Confident | 30 Ų | 30 | 49.6 Ų | 49.6 | 13% | 0.132 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64 | -37.5 | 177.7 | -62.4 | -41.3 | 0 | 0 | 0 | 113.3 | R243 S244 S249 E250 L251 L309 Q312 L313 | R243-F247 HydrophobicContact CG-CD2 4.19Å; R243-F247 HydrophobicContact CG-CE2 3.48Å; R243-F247 VanDerWaalsContact CG-CE2 3.48Å; R243-F247 HydrophobicContact CG-CZ 3.9Å; R243-F247 VanDerWaalsContact O-CD2 3.26Å; R243-F247 WeakPolarHBondContact O-CD2 3.13Å; R243-F247 PolarHBondContact O-N 3.15Å; R243-F247 VanDerWaalsContact O-N 3.16Å; S244-F247 PolarHBondContact O-N 3.49Å; F247-S249 VanDerWaalsContact C-N 3.35Å; F247-E250 PolarHBondContact O-N 2.86Å; F247-L251 WeakPolarHBondContact O-CB 3.09Å; F247-L251 PolarHBondContact O-N 2.83Å; F247-L309 HydrophobicContact CD1-CD2 4.16Å; F247-Q312 HydrophobicContact CD2-CB 4.37Å; F247-Q312 HydrophobicContact CE1-CB 4.16Å; F247-Q312 HydrophobicContact CE2-CB 3.97Å; F247-Q312 HydrophobicContact CZ-CB 3.86Å; F247-L313 HydrophobicContact CB-CB 4.24Å; F247-L313 HydrophobicContact CB-CD1 4.15Å |
| 248 | I | 91.6 | Very high | 89.3 | Confident | 6 Ų | 6 | 49 Ų | 49 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 175.9 | -70.6 | 160.6 | 0 | 0 | 0 | 110.9 | S244 M245 G246 N252 L313 L370 M373 L377 | S244-I248 WeakPolarHBondContact O-CD1 3.41Å; S244-I248 WeakPolarHBondContact O-CG1 3.39Å; S244-I248 PolarHBondContact O-N 3.09Å; M245-I248 PolarHBondContact O-N 3.24Å; M245-I248 HydrophobicContact SD-CD1 4.07Å; G246-I248 PolarHBondContact O-N 3.42Å; I248-N252 WeakPolarHBondContact O-CB 3.31Å; I248-N252 PolarHBondContact O-N 3.41Å; I248-N252 PolarHBondContact O-ND2 2.88Å; I248-L313 HydrophobicContact CG1-CD1 4.15Å; I248-L313 HydrophobicContact CG1-CD2 4.13Å; I248-L370 HydrophobicContact CB-CD2 4.28Å; I248-L370 HydrophobicContact CG1-CD2 3.87Å; I248-L370 HydrophobicContact CG2-CB 4.09Å; I248-L370 HydrophobicContact CG2-CD2 4.06Å; I248-M373 HydrophobicContact CD1-CE 4.06Å; I248-M373 HydrophobicContact CD1-CG 3.69Å; I248-M373 HydrophobicContact CD1-SD 4.49Å; I248-M373 HydrophobicContact CG1-CE 3.87Å; I248-M373 HydrophobicContact CG1-CG 4.46Å; I248-L377 HydrophobicContact CD1-CD1 4.15Å |
| 249 | S | 89.3 | Confident | 88.9 | Confident | 74 Ų | 74 | 48.6 Ų | 48.6 | 52% | 0.517 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.6 | -50.2 | 177.3 | -179.2 | 0 | 0 | 0 | 0 | 111.2 | M245 G246 F247 L251 N252 S253 | M245-S249 PolarHBondContact O-N 3.48Å; G246-S249 PolarHBondContact O-N 3.39Å; F247-S249 VanDerWaalsContact C-N 3.35Å; S249-L251 VanDerWaalsContact C-N 3.32Å; S249-L251 PolarHBondContact O-N 2.93Å; S249-N252 PolarHBondContact O-N 2.79Å; S249-S253 PolarHBondContact O-N 2.83Å; S249-S253 PolarHBondContact O-OG 3.4Å |
| 250 | E | 88.7 | Confident | 88.4 | Confident | 100 Ų | 100 | 51.8 Ų | 51.8 | 47% | 0.467 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.3 | -37.9 | -179.3 | -162.9 | 179.8 | 165.5 | 0 | 0 | 112 | G246 F247 S253 T254 L309 | G246-E250 PolarHBondContact O-N 3.21Å; F247-E250 PolarHBondContact O-N 2.86Å; E250-S253 PolarHBondContact O-N 3.41Å; E250-T254 WeakPolarHBondContact O-CB 3.25Å; E250-T254 PolarHBondContact O-N 2.8Å; E250-T254 PolarHBondContact O-OG1 3.09Å; E250-L309 HydrophobicContact CB-CD1 4.12Å; E250-L309 HydrophobicContact CB-CD2 4.3Å; E250-L309 VanDerWaalsContact CD-CD2 3.48Å; E250-L309 HydrophobicContact CG-CD1 3.73Å; E250-L309 HydrophobicContact CG-CD2 4.11Å; E250-L309 WeakPolarHBondContact OE2-CD2 3.49Å |
| 251 | L | 89.4 | Confident | 87.7 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.3 | -39.6 | 175.6 | -174.4 | 60.3 | 0 | 0 | 0 | 111.9 | F247 S249 T254 V255 A306 L309 L313 F349 L370 | F247-L251 WeakPolarHBondContact O-CB 3.09Å; F247-L251 PolarHBondContact O-N 2.83Å; S249-L251 VanDerWaalsContact C-N 3.32Å; S249-L251 PolarHBondContact O-N 2.93Å; L251-T254 WeakPolarHBondContact O-CB 3.33Å; L251-T254 PolarHBondContact O-N 2.89Å; L251-V255 WeakPolarHBondContact O-CB 3.35Å; L251-V255 VanDerWaalsContact O-CG2 3.31Å; L251-V255 WeakPolarHBondContact O-CG2 3.23Å; L251-V255 PolarHBondContact O-N 3.32Å; L251-A306 HydrophobicContact CD1-CB 4.13Å; L251-L309 HydrophobicContact CD1-CB 4.32Å; L251-L313 HydrophobicContact CD2-CD2 4.21Å; L251-F349 HydrophobicContact CD1-CE2 4.45Å; L251-L370 HydrophobicContact CB-CD1 4.4Å; L251-L370 HydrophobicContact CD2-CD1 4.03Å; L251-L370 HydrophobicContact CD2-CD2 3.92Å; L251-L370 HydrophobicContact CG-CD1 4.08Å |
| 252 | N | 89.7 | Confident | 87.1 | Confident | 47 Ų | 47 | 52.3 Ų | 52.3 | 25% | 0.251 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61 | -46.6 | 172.9 | -86.7 | -38.3 | 0 | 0 | 0 | 111.5 | I248 S249 T254 V255 D256 L370 | I248-N252 WeakPolarHBondContact O-CB 3.31Å; I248-N252 PolarHBondContact O-N 3.41Å; I248-N252 PolarHBondContact O-ND2 2.88Å; S249-N252 PolarHBondContact O-N 2.79Å; N252-T254 VanDerWaalsContact C-N 3.28Å; N252-T254 PolarHBondContact O-N 3.37Å; N252-V255 WeakPolarHBondContact O-CB 3.5Å; N252-V255 PolarHBondContact O-N 3.47Å; N252-D256 VanDerWaalsContact O-CG 3.27Å; N252-D256 PolarHBondContact O-N 3.21Å; N252-L370 VanDerWaalsContact OD1-CD1 3.24Å; N252-L370 WeakPolarHBondContact OD1-CD1 3.36Å |
| 253 | S | 87.4 | Confident | 86.5 | Confident | 71 Ų | 71 | 52 Ų | 52 | 50% | 0.497 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61 | -38.1 | 175.1 | -58.2 | 0 | 0 | 0 | 0 | 112.3 | S249 E250 D256 L257 | S249-S253 PolarHBondContact O-N 2.83Å; S249-S253 PolarHBondContact O-OG 3.4Å; E250-S253 PolarHBondContact O-N 3.41Å; S253-D256 PolarHBondContact O-N 3.01Å; S253-L257 WeakPolarHBondContact O-CB 3.26Å; S253-L257 PolarHBondContact O-N 3.11Å |
| 254 | T | 86.4 | Confident | 85.9 | Confident | 16 Ų | 16 | 51 Ų | 51 | 10% | 0.098 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.2 | -42 | 175.6 | -57.7 | 0 | 0 | 0 | 0 | 111.4 | E250 L251 N252 L257 M258 T302 A306 | E250-T254 WeakPolarHBondContact O-CB 3.25Å; E250-T254 PolarHBondContact O-N 2.8Å; E250-T254 PolarHBondContact O-OG1 3.09Å; L251-T254 WeakPolarHBondContact O-CB 3.33Å; L251-T254 PolarHBondContact O-N 2.89Å; N252-T254 VanDerWaalsContact C-N 3.28Å; N252-T254 PolarHBondContact O-N 3.37Å; T254-L257 PolarHBondContact O-N 3.16Å; T254-M258 HydrophobicContact CG2-CE 4.04Å; T254-M258 VanDerWaalsContact O-CG 3.27Å; T254-M258 WeakPolarHBondContact O-CG 3.47Å; T254-M258 PolarHBondContact O-N 3.48Å; T254-T302 HydrophobicContact CG2-CG2 3.96Å; T254-A306 HydrophobicContact CG2-CB 3.96Å |
| 255 | V | 87.9 | Confident | 85 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.1 | -39.3 | 175.2 | 162.9 | 0 | 0 | 0 | 0 | 111.6 | L251 N252 M258 E259 F349 L363 T366 R367 | L251-V255 WeakPolarHBondContact O-CB 3.35Å; L251-V255 VanDerWaalsContact O-CG2 3.31Å; L251-V255 WeakPolarHBondContact O-CG2 3.23Å; L251-V255 PolarHBondContact O-N 3.32Å; N252-V255 WeakPolarHBondContact O-CB 3.5Å; N252-V255 PolarHBondContact O-N 3.47Å; V255-M258 WeakPolarHBondContact O-CB 3.1Å; V255-M258 PolarHBondContact O-N 3.23Å; V255-E259 PolarHBondContact O-N 2.95Å; V255-F349 HydrophobicContact CG2-CZ 3.91Å; V255-L363 HydrophobicContact CG1-CB 4.38Å; V255-L363 HydrophobicContact CG1-CD2 4.06Å; V255-L363 HydrophobicContact CG2-CD2 4.33Å; V255-T366 HydrophobicContact CG2-CG2 4.08Å; V255-R367 HydrophobicContact CG1-CG 4.22Å |
| 256 | D | 85.9 | Confident | 84.1 | Confident | 80 Ų | 80 | 55.4 Ų | 55.4 | 43% | 0.428 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.8 | -40.8 | 175.5 | -66.9 | -23.3 | 0 | 0 | 0 | 111.6 | N252 S253 M258 E259 Y260 R367 | N252-D256 VanDerWaalsContact O-CG 3.27Å; N252-D256 PolarHBondContact O-N 3.21Å; S253-D256 PolarHBondContact O-N 3.01Å; D256-M258 VanDerWaalsContact C-N 3.34Å; D256-M258 PolarHBondContact O-N 3.23Å; D256-E259 PolarHBondContact O-N 2.98Å; D256-Y260 WeakPolarHBondContact O-CB 3.37Å; D256-Y260 PolarHBondContact O-N 3.48Å; D256-R367 IonicContact OD1-CZ 2.86Å; D256-R367 IonicContact OD1-NE 2.74Å; D256-R367 PolarHBondContact OD1-NE 2.91Å; D256-R367 IonicContact OD1-NH2 3.84Å; D256-R367 PolarHBondContact OD1-NH2 3.37Å |
| 257 | L | 85.1 | Confident | 83.3 | Confident | 102 Ų | 102 | 58.3 Ų | 58.3 | 53% | 0.534 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.2 | -40.7 | 174.8 | -175 | 63.2 | 0 | 0 | 0 | 111.7 | S253 T254 Y260 G261 T302 | S253-L257 WeakPolarHBondContact O-CB 3.26Å; S253-L257 PolarHBondContact O-N 3.11Å; T254-L257 PolarHBondContact O-N 3.16Å; L257-Y260 PolarHBondContact O-N 3.41Å; L257-G261 PolarHBondContact O-N 2.94Å; L257-T302 HydrophobicContact CD2-CG2 4.26Å |
| 258 | M | 83.6 | Confident | 82.4 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 173.9 | -75.7 | -178.5 | 176.9 | 0 | 0 | 112.2 | T254 V255 D256 R262 T302 L303 A306 F349 L355 L363 | T254-M258 HydrophobicContact CG2-CE 4.04Å; T254-M258 VanDerWaalsContact O-CG 3.27Å; T254-M258 WeakPolarHBondContact O-CG 3.47Å; T254-M258 PolarHBondContact O-N 3.48Å; V255-M258 WeakPolarHBondContact O-CB 3.1Å; V255-M258 PolarHBondContact O-N 3.23Å; D256-M258 VanDerWaalsContact C-N 3.34Å; D256-M258 PolarHBondContact O-N 3.23Å; M258-R262 WeakPolarHBondContact O-CB 3.4Å; M258-R262 PolarHBondContact O-N 3.26Å; M258-T302 HydrophobicContact CE-CG2 3.87Å; M258-T302 VanDerWaalsContact CE-O 3.3Å; M258-T302 WeakPolarHBondContact CE-O 3.44Å; M258-T302 HydrophobicContact CG-CG2 3.67Å; M258-L303 HydrophobicContact CE-CB 4.35Å; M258-L303 HydrophobicContact CE-CD1 3.99Å; M258-A306 HydrophobicContact CE-CB 3.39Å; M258-F349 HydrophobicContact SD-CE1 4.03Å; M258-L355 HydrophobicContact CB-CD1 3.81Å; M258-L355 HydrophobicContact CE-CD1 4.41Å; M258-L355 HydrophobicContact CG-CD1 3.55Å; M258-L355 HydrophobicContact SD-CD1 3.91Å; M258-L363 HydrophobicContact CB-CD2 4.44Å; M258-L363 HydrophobicContact SD-CD2 4.2Å |
| 259 | E | 83.9 | Confident | 81.2 | Confident | 46 Ų | 46 | 62.7 Ų | 62.7 | 22% | 0.215 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.8 | -41.1 | 179.3 | -171.1 | 176.5 | 164.4 | 0 | 0 | 111.9 | V255 D256 R262 K263 L363 R367 | V255-E259 PolarHBondContact O-N 2.95Å; D256-E259 PolarHBondContact O-N 2.98Å; E259-R262 PolarHBondContact O-N 3.04Å; E259-K263 HydrophobicContact CG-CD 4.3Å; E259-K263 WeakPolarHBondContact O-CB 3.47Å; E259-K263 WeakPolarHBondContact O-CG 3.03Å; E259-K263 PolarHBondContact O-N 2.97Å; E259-K263 WeakPolarHBondContact OE1-CE 3.37Å; E259-K263 IonicContact OE1-NZ 3.43Å; E259-K263 PolarHBondContact OE1-NZ 2.96Å; E259-L363 HydrophobicContact CB-CD1 4.48Å; E259-R367 IonicContact OE2-CZ 2.66Å; E259-R367 IonicContact OE2-NH1 2.72Å; E259-R367 PolarHBondContact OE2-NH1 3.34Å; E259-R367 IonicContact OE2-NH2 3.5Å; E259-R367 PolarHBondContact OE2-NH2 3.48Å |
| 260 | Y | 81.3 | Confident | 80.2 | Confident | 163 Ų | 163 | 64.9 Ų | 64.9 | 64% | 0.639 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -62.1 | -48.3 | 175.4 | 179 | -96 | 0 | 0 | 0 | 111.7 | D256 L257 R262 K263 N264 | D256-Y260 WeakPolarHBondContact O-CB 3.37Å; D256-Y260 PolarHBondContact O-N 3.48Å; L257-Y260 PolarHBondContact O-N 3.41Å; Y260-R262 VanDerWaalsContact C-N 3.31Å; Y260-R262 PolarHBondContact O-N 3.4Å; Y260-K263 PolarHBondContact O-N 3.03Å; Y260-N264 WeakPolarHBondContact O-CB 3.14Å; Y260-N264 PolarHBondContact O-N 3.03Å |
| 261 | G | 76.1 | Confident | 79.2 | Confident | 21 Ų | 21 | 65.6 Ų | 65.6 | 22% | 0.216 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57.5 | -45.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L257 N264 I265 | L257-G261 PolarHBondContact O-N 2.94Å; G261-N264 PolarHBondContact O-N 3.01Å; G261-I265 WeakPolarHBondContact O-CD1 3.41Å; G261-I265 VanDerWaalsContact O-CG1 3.25Å; G261-I265 WeakPolarHBondContact O-CG1 3.35Å; G261-I265 PolarHBondContact O-N 3.39Å |
| 262 | R | 78.7 | Confident | 77.9 | Confident | 25 Ų | 25 | 69.1 Ų | 69.1 | 9% | 0.094 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.4 | -48.4 | 176.7 | -175.3 | 179.8 | -61.5 | 177.2 | -4.8 | 112.6 | M258 E259 Y260 N264 I265 N266 L355 L358 D360 | M258-R262 WeakPolarHBondContact O-CB 3.4Å; M258-R262 PolarHBondContact O-N 3.26Å; E259-R262 PolarHBondContact O-N 3.04Å; Y260-R262 VanDerWaalsContact C-N 3.31Å; Y260-R262 PolarHBondContact O-N 3.4Å; R262-N264 VanDerWaalsContact C-N 3.32Å; R262-N264 PolarHBondContact O-N 3.29Å; R262-I265 PolarHBondContact O-N 3.32Å; R262-N266 VanDerWaalsContact O-CB 3.3Å; R262-N266 WeakPolarHBondContact O-CB 3.45Å; R262-N266 PolarHBondContact O-N 2.88Å; R262-N266 PolarHBondContact O-ND2 2.83Å; R262-L355 PolarHBondContact NH2-O 2.72Å; R262-L358 PolarHBondContact NH1-O 2.91Å; R262-L358 PolarHBondContact NH2-O 3.45Å; R262-D360 IonicContact CZ-OD1 2.65Å; R262-D360 IonicContact NH1-OD1 2.74Å; R262-D360 PolarHBondContact NH1-OD1 2.87Å |
| 263 | K | 79.3 | Confident | 76.6 | Confident | 109 Ų | 109 | 71.2 Ų | 71.2 | 47% | 0.474 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.3 | -43 | 178.3 | -76.4 | 177.4 | -176.4 | 169.4 | 0 | 111.5 | E259 Y260 N266 N267 | E259-K263 HydrophobicContact CG-CD 4.3Å; E259-K263 WeakPolarHBondContact O-CB 3.47Å; E259-K263 WeakPolarHBondContact O-CG 3.03Å; E259-K263 PolarHBondContact O-N 2.97Å; E259-K263 WeakPolarHBondContact OE1-CE 3.37Å; E259-K263 IonicContact OE1-NZ 3.43Å; E259-K263 PolarHBondContact OE1-NZ 2.96Å; Y260-K263 PolarHBondContact O-N 3.03Å; K263-N266 PolarHBondContact O-N 2.72Å; K263-N267 VanDerWaalsContact O-CB 3.29Å; K263-N267 WeakPolarHBondContact O-CB 3.38Å; K263-N267 PolarHBondContact O-N 3.26Å; K263-N267 PolarHBondContact O-ND2 3.26Å; K263-N267 PolarHBondContact O-OD1 3.48Å |
| 264 | N | 77.6 | Confident | 75.8 | Confident | 90 Ų | 90 | 72.5 Ų | 72.5 | 48% | 0.481 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.9 | -45.5 | 179.3 | -174.8 | 66.6 | 0 | 0 | 0 | 112.4 | Y260 G261 R262 N266 N267 A268 | Y260-N264 WeakPolarHBondContact O-CB 3.14Å; Y260-N264 PolarHBondContact O-N 3.03Å; G261-N264 PolarHBondContact O-N 3.01Å; R262-N264 VanDerWaalsContact C-N 3.32Å; R262-N264 PolarHBondContact O-N 3.29Å; N264-N266 VanDerWaalsContact C-N 3.34Å; N264-N266 PolarHBondContact O-N 3.11Å; N264-N267 PolarHBondContact O-N 3.29Å; N264-A268 WeakPolarHBondContact O-CB 3.41Å; N264-A268 PolarHBondContact O-N 3.18Å |
| 265 | I | 72.4 | Confident | 74.6 | Confident | 61 Ų | 61 | 78.9 Ų | 78.9 | 31% | 0.313 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 176.7 | -67.6 | 165.4 | 0 | 0 | 0 | 110.5 | G261 R262 A268 N269 E299 | G261-I265 WeakPolarHBondContact O-CD1 3.41Å; G261-I265 VanDerWaalsContact O-CG1 3.25Å; G261-I265 WeakPolarHBondContact O-CG1 3.35Å; G261-I265 PolarHBondContact O-N 3.39Å; R262-I265 PolarHBondContact O-N 3.32Å; I265-A268 PolarHBondContact O-N 2.99Å; I265-N269 WeakPolarHBondContact CG2-ND2 3.41Å; I265-N269 WeakPolarHBondContact O-CB 3.48Å; I265-N269 PolarHBondContact O-N 3.41Å; I265-N269 PolarHBondContact O-ND2 2.94Å; I265-E299 VanDerWaalsContact CD1-OE1 3.23Å; I265-E299 WeakPolarHBondContact CD1-OE1 3.49Å |
| 266 | N | 73.6 | Confident | 73 | Confident | 82 Ų | 82 | 83.1 Ų | 83.1 | 44% | 0.439 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.7 | -44.6 | 178 | -70.8 | -11.9 | 0 | 0 | 0 | 112.3 | R262 K263 N264 N269 Q270 | R262-N266 VanDerWaalsContact O-CB 3.3Å; R262-N266 WeakPolarHBondContact O-CB 3.45Å; R262-N266 PolarHBondContact O-N 2.88Å; R262-N266 PolarHBondContact O-ND2 2.83Å; K263-N266 PolarHBondContact O-N 2.72Å; N264-N266 VanDerWaalsContact C-N 3.34Å; N264-N266 PolarHBondContact O-N 3.11Å; N266-N269 PolarHBondContact O-N 3.5Å; N266-Q270 WeakPolarHBondContact O-CB 3.48Å; N266-Q270 WeakPolarHBondContact O-CG 3.41Å; N266-Q270 PolarHBondContact O-N 3.49Å |
| 267 | N | 73.1 | Confident | 71.7 | Confident | 100 Ų | 100 | 85.6 Ų | 85.6 | 54% | 0.535 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 177.4 | -69.8 | -15.5 | 0 | 0 | 0 | 111.5 | K263 N264 Q270 M271 | K263-N267 VanDerWaalsContact O-CB 3.29Å; K263-N267 WeakPolarHBondContact O-CB 3.38Å; K263-N267 PolarHBondContact O-N 3.26Å; K263-N267 PolarHBondContact O-ND2 3.26Å; K263-N267 PolarHBondContact O-OD1 3.48Å; N264-N267 PolarHBondContact O-N 3.29Å; N267-Q270 PolarHBondContact O-N 3.29Å; N267-M271 WeakPolarHBondContact O-CB 3.31Å; N267-M271 PolarHBondContact O-N 2.98Å |
| 268 | A | 68.9 | Low | 70.5 | Confident | 42 Ų | 42 | 86.7 Ų | 86.7 | 35% | 0.347 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64 | -44 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | N264 I265 M271 V272 | N264-A268 WeakPolarHBondContact O-CB 3.41Å; N264-A268 PolarHBondContact O-N 3.18Å; I265-A268 PolarHBondContact O-N 2.99Å; A268-M271 PolarHBondContact O-N 3.35Å; A268-V272 WeakPolarHBondContact O-CB 3.47Å; A268-V272 VanDerWaalsContact O-CG2 3.27Å; A268-V272 WeakPolarHBondContact O-CG2 3.44Å; A268-V272 PolarHBondContact O-N 3.04Å |
| 269 | N | 66.2 | Low | 69.1 | Low | 87 Ų | 87 | 92 Ų | 92 | 47% | 0.465 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66 | -38.5 | 177 | -73 | -25.8 | 0 | 0 | 0 | 112.5 | I265 N266 N273 | I265-N269 WeakPolarHBondContact CG2-ND2 3.41Å; I265-N269 WeakPolarHBondContact O-CB 3.48Å; I265-N269 PolarHBondContact O-N 3.41Å; I265-N269 PolarHBondContact O-ND2 2.94Å; N266-N269 PolarHBondContact O-N 3.5Å; N269-N273 WeakPolarHBondContact O-CB 3.06Å; N269-N273 PolarHBondContact O-N 3.45Å; N269-N273 PolarHBondContact O-ND2 3.41Å |
| 270 | Q | 69.6 | Low | 67.5 | Low | 119 Ų | 119 | 95.4 Ų | 95.4 | 56% | 0.556 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.2 | -49.2 | 172.8 | -81.1 | -176.5 | -12.1 | 0 | 0 | 111.3 | N266 N267 V272 N273 D274 | N266-Q270 WeakPolarHBondContact O-CB 3.48Å; N266-Q270 WeakPolarHBondContact O-CG 3.41Å; N266-Q270 PolarHBondContact O-N 3.49Å; N267-Q270 PolarHBondContact O-N 3.29Å; Q270-V272 VanDerWaalsContact C-N 3.27Å; Q270-V272 PolarHBondContact O-N 3.1Å; Q270-N273 CarbonylContact O-C 3.59Å; Q270-N273 PolarHBondContact O-N 3.28Å; Q270-N273 VanDerWaalsContact O-N 3.14Å; Q270-D274 WeakPolarHBondContact O-CB 3.44Å; Q270-D274 PolarHBondContact O-N 2.84Å |
| 271 | M | 66.7 | Low | 65.8 | Low | 115 Ų | 115 | 92.6 Ų | 92.6 | 57% | 0.567 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.9 | -38 | 178.6 | -173 | -179.9 | 71.9 | 0 | 0 | 112.4 | N267 A268 K275 | N267-M271 WeakPolarHBondContact O-CB 3.31Å; N267-M271 PolarHBondContact O-N 2.98Å; A268-M271 PolarHBondContact O-N 3.35Å; M271-K275 WeakPolarHBondContact O-CB 3.37Å; M271-K275 WeakPolarHBondContact O-CG 3.44Å; M271-K275 PolarHBondContact O-N 3.17Å |
| 272 | V | 63.3 | Low | 64 | Low | 75 Ų | 75 | 103.1 Ų | 103.1 | 46% | 0.455 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.8 | -44.4 | 175.1 | 168.6 | 0 | 0 | 0 | 0 | 111.2 | A268 Q270 K275 L276 | A268-V272 WeakPolarHBondContact O-CB 3.47Å; A268-V272 VanDerWaalsContact O-CG2 3.27Å; A268-V272 WeakPolarHBondContact O-CG2 3.44Å; A268-V272 PolarHBondContact O-N 3.04Å; Q270-V272 VanDerWaalsContact C-N 3.27Å; Q270-V272 PolarHBondContact O-N 3.1Å; V272-K275 PolarHBondContact O-N 2.98Å; V272-L276 HydrophobicContact CG1-CD1 3.78Å; V272-L276 VanDerWaalsContact O-CB 3.25Å; V272-L276 WeakPolarHBondContact O-CB 3.31Å; V272-L276 PolarHBondContact O-N 3.38Å |
| 273 | N | 61.9 | Low | 62.2 | Low | 90 Ų | 90 | 111.3 Ų | 111.3 | 48% | 0.481 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.8 | -40.4 | 175.7 | -85.5 | -32.8 | 0 | 0 | 0 | 112.1 | N269 Q270 L276 N277 | N269-N273 WeakPolarHBondContact O-CB 3.06Å; N269-N273 PolarHBondContact O-N 3.45Å; N269-N273 PolarHBondContact O-ND2 3.41Å; Q270-N273 CarbonylContact O-C 3.59Å; Q270-N273 PolarHBondContact O-N 3.28Å; Q270-N273 VanDerWaalsContact O-N 3.14Å; N273-L276 PolarHBondContact O-N 2.9Å; N273-N277 WeakPolarHBondContact O-CB 3.41Å; N273-N277 PolarHBondContact O-N 2.89Å; N273-N277 PolarHBondContact O-ND2 3.26Å; N273-N277 VanDerWaalsContact O-ND2 3.14Å |
| 274 | D | 70.6 | Confident | 60.8 | Low | 98 Ų | 98 | 111.7 Ų | 111.7 | 52% | 0.524 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66 | -41.3 | 177.2 | -68.2 | -19.8 | 0 | 0 | 0 | 110.5 | Q270 V278 | Q270-D274 WeakPolarHBondContact O-CB 3.44Å; Q270-D274 PolarHBondContact O-N 2.84Å; D274-V278 WeakPolarHBondContact O-CB 3.33Å; D274-V278 VanDerWaalsContact O-CG2 3.22Å; D274-V278 WeakPolarHBondContact O-CG2 3.26Å; D274-V278 PolarHBondContact O-N 3.48Å; D274-V278 VanDerWaalsContact O-N 3.09Å |
| 275 | K | 60.4 | Low | 58.9 | Low | 150 Ų | 150 | 110.7 Ų | 110.7 | 65% | 0.652 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69.8 | -34.6 | 173.4 | -78.8 | -159.9 | 174.4 | -166.8 | 0 | 113.6 | M271 V272 L279 | M271-K275 WeakPolarHBondContact O-CB 3.37Å; M271-K275 WeakPolarHBondContact O-CG 3.44Å; M271-K275 PolarHBondContact O-N 3.17Å; V272-K275 PolarHBondContact O-N 2.98Å; K275-L279 WeakPolarHBondContact O-CB 3.35Å; K275-L279 PolarHBondContact O-N 3.4Å |
| 276 | L | 55.2 | Low | 57.4 | Low | 90 Ų | 90 | 113.4 Ų | 113.4 | 47% | 0.471 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -70.5 | -38.3 | 173.9 | -91.3 | 164.6 | 0 | 0 | 0 | 111.6 | V272 N273 V278 L279 V280 | V272-L276 HydrophobicContact CG1-CD1 3.78Å; V272-L276 VanDerWaalsContact O-CB 3.25Å; V272-L276 WeakPolarHBondContact O-CB 3.31Å; V272-L276 PolarHBondContact O-N 3.38Å; N273-L276 PolarHBondContact O-N 2.9Å; L276-V278 VanDerWaalsContact C-N 3.27Å; L276-V278 PolarHBondContact O-N 3.41Å; L276-L279 CarbonylContact O-C 3.17Å; L276-L279 PolarHBondContact O-N 3.38Å; L276-L279 VanDerWaalsContact O-O 3.05Å; L276-V280 WeakPolarHBondContact O-CG2 3.47Å |
| 277 | N | 59.3 | Low | 55.8 | Low | 132 Ų | 132 | 114.8 Ų | 114.8 | 71% | 0.706 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -68.7 | -28.7 | 176.8 | -73 | -24.2 | 0 | 0 | 0 | 111.9 | N273 L279 | N273-N277 WeakPolarHBondContact O-CB 3.41Å; N273-N277 PolarHBondContact O-N 2.89Å; N273-N277 PolarHBondContact O-ND2 3.26Å; N273-N277 VanDerWaalsContact O-ND2 3.14Å; N277-L279 VanDerWaalsContact C-N 3.31Å |
| 278 | V | 58.4 | Low | 54.2 | Low | 124 Ų | 124 | 115.7 Ų | 115.7 | 75% | 0.752 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -16.1 | 171.7 | 171.7 | 0 | 0 | 0 | 0 | 112.2 | D274 L276 | D274-V278 WeakPolarHBondContact O-CB 3.33Å; D274-V278 VanDerWaalsContact O-CG2 3.22Å; D274-V278 WeakPolarHBondContact O-CG2 3.26Å; D274-V278 PolarHBondContact O-N 3.48Å; D274-V278 VanDerWaalsContact O-N 3.09Å; L276-V278 VanDerWaalsContact C-N 3.27Å; L276-V278 PolarHBondContact O-N 3.41Å |
| 279 | L | 55 | Low | 53.1 | Low | 113 Ų | 113 | 122.1 Ų | 122.1 | 59% | 0.592 | 67% | 0.665 | S | S | * | * | trans | -145.3 | 94.6 | -172.4 | -129.2 | 136.9 | 0 | 0 | 0 | 112.7 | K275 L276 N277 | K275-L279 WeakPolarHBondContact O-CB 3.35Å; K275-L279 PolarHBondContact O-N 3.4Å; L276-L279 CarbonylContact O-C 3.17Å; L276-L279 PolarHBondContact O-N 3.38Å; L276-L279 VanDerWaalsContact O-O 3.05Å; N277-L279 VanDerWaalsContact C-N 3.31Å | ||
| 280 | V | 49.6 | Very low | 52 | Low | 118 Ų | 118 | 124.6 Ų | 124.6 | 72% | 0.715 | 67% | 0.673 | S | S | * | * | trans | -132 | 123.9 | 156.7 | -174.2 | 0 | 0 | 0 | 0 | 106.8 | L276 | L276-V280 WeakPolarHBondContact O-CG2 3.47Š| ||
| 281 | P | 47 | Very low | 51 | Low | 104 Ų | 104 | 125.5 Ų | 125.5 | 68% | 0.675 | 68% | 0.682 | S | S | * | * | cis | -139.1 | 113.4 | 48.6 | 34.9 | -14.3 | 0 | 0 | 0 | 115 | ||||
| 282 | W | 37.3 | Very low | 50.4 | Low | 241 Ų | 241 | 122 Ų | 122 | 91% | 0.913 | 68% | 0.675 | S | S | * | * | trans | -133 | 114.5 | 157.3 | -72.3 | 73 | 0 | 0 | 0 | 110.2 | ||||
| 283 | K | 41.9 | Very low | 50.1 | Low | 198 Ų | 198 | 124 Ų | 124 | 86% | 0.861 | 68% | 0.679 | S | S | * | * | trans | -84.6 | 144 | 178.2 | 178.2 | 174.6 | 176.2 | 179.2 | 0 | 109.6 | ||||
| 284 | S | 49.4 | Very low | 49.9 | Very low | 117 Ų | 117 | 125.6 Ų | 125.6 | 82% | 0.818 | 68% | 0.684 | S | S | * | * | trans | 59.1 | 104.6 | 162.4 | 63.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 285 | G | 36.3 | Very low | 49.8 | Very low | 69 Ų | 69 | 123 Ų | 123 | 71% | 0.711 | 68% | 0.676 | S | S | * | * | trans | -161 | 106.1 | 150.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | P287 | G285-P287 WeakPolarHBondContact O-CD 3.49Š| ||
| 286 | S | 41.1 | Very low | 50.2 | Low | 117 Ų | 117 | 121.7 Ų | 121.7 | 82% | 0.818 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 124.6 | -179 | -167 | 0 | 0 | 0 | 0 | 110.1 | ||
| 287 | P | 40.2 | Very low | 51 | Low | 112 Ų | 112 | 121.6 Ų | 121.6 | 73% | 0.727 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -86 | 134.3 | 162 | 19.6 | -4.3 | 0 | 0 | 0 | 108.9 | G285 K289 | G285-P287 WeakPolarHBondContact O-CD 3.49Å; P287-K289 PolarHBondContact O-N 2.94Å |
| 288 | T | 39.7 | Very low | 51.6 | Low | 119 Ų | 119 | 120.5 Ų | 120.5 | 73% | 0.73 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 123.1 | 178.4 | -21.1 | 0 | 0 | 0 | 0 | 111.4 | E290 | T288-E290 PolarHBondContact O-N 3.5Š|
| 289 | K | 46.2 | Very low | 52.5 | Low | 177 Ų | 177 | 116.2 Ų | 116.2 | 77% | 0.77 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | 32.5 | -177.2 | -72.6 | -175.4 | 173.2 | -177.8 | 0 | 114.3 | P287 H293 | P287-K289 PolarHBondContact O-N 2.94Å; K289-H293 PolarHBondContact O-CD2 3.22Å |
| 290 | E | 42.3 | Very low | 53.6 | Low | 139 Ų | 139 | 113.6 Ų | 113.6 | 65% | 0.65 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -85.6 | -34.2 | -178.2 | -77.7 | 179.1 | 153.4 | 0 | 0 | 112.6 | T288 G292 H294 | T288-E290 PolarHBondContact O-N 3.5Å; E290-G292 PolarHBondContact O-N 3.42Å; E290-H294 PolarHBondContact O-CD2 3.38Å; E290-H294 VanDerWaalsContact O-CD2 3.27Å |
| 291 | N | 49.5 | Very low | 55 | Low | 137 Ų | 137 | 116.5 Ų | 116.5 | 73% | 0.733 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -76.1 | -21.8 | -176.6 | -84.8 | 0.5 | 0 | 0 | 0 | 115.4 | A295 | N291-A295 PolarHBondContact O-N 3.42Å |
| 292 | G | 54.3 | Low | 56.7 | Low | 41 Ų | 41 | 112.1 Ų | 112.1 | 42% | 0.423 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -68.8 | -41 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E290 A295 E296 | E290-G292 PolarHBondContact O-N 3.42Å; G292-A295 PolarHBondContact O-N 2.84Å; G292-E296 WeakPolarHBondContact O-CG 3.45Å; G292-E296 PolarHBondContact O-N 2.98Å |
| 293 | H | 57.2 | Low | 59 | Low | 117 Ų | 117 | 100.7 Ų | 100.7 | 54% | 0.542 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.5 | -37.9 | 178.6 | -67.7 | -57.8 | 0 | 0 | 0 | 112.3 | K289 V297 | K289-H293 PolarHBondContact O-CD2 3.22Å; H293-V297 VanDerWaalsContact O-CB 3.28Å; H293-V297 WeakPolarHBondContact O-CB 3.36Å; H293-V297 WeakPolarHBondContact O-CG2 3.47Å; H293-V297 PolarHBondContact O-N 3.17Å |
| 294 | H | 57.6 | Low | 61 | Low | 125 Ų | 125 | 93.6 Ų | 93.6 | 58% | 0.579 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.6 | -39.8 | 176.2 | -72.6 | -65.9 | 0 | 0 | 0 | 112.4 | E290 I298 | E290-H294 PolarHBondContact O-CD2 3.38Å; E290-H294 VanDerWaalsContact O-CD2 3.27Å; H294-I298 WeakPolarHBondContact O-CB 3.32Å; H294-I298 WeakPolarHBondContact O-CD1 3.36Å; H294-I298 WeakPolarHBondContact O-CG1 3.49Å; H294-I298 PolarHBondContact O-N 3.04Å |
| 295 | A | 67.3 | Low | 62.7 | Low | 44 Ų | 44 | 92 Ų | 92 | 36% | 0.364 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.5 | -47.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | N291 G292 V297 I298 E299 | N291-A295 PolarHBondContact O-N 3.42Å; G292-A295 PolarHBondContact O-N 2.84Å; A295-V297 VanDerWaalsContact C-N 3.3Å; A295-V297 PolarHBondContact O-N 3.03Å; A295-I298 PolarHBondContact O-N 3.14Å; A295-I298 VanDerWaalsContact O-N 3.16Å; A295-E299 WeakPolarHBondContact O-CB 3.2Å; A295-E299 WeakPolarHBondContact O-CG 3.45Å; A295-E299 PolarHBondContact O-N 3.22Å |
| 296 | E | 69.5 | Low | 65 | Low | 121 Ų | 121 | 88.8 Ų | 88.8 | 57% | 0.565 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62 | -36.4 | 176.8 | -72.8 | 173.6 | -179.9 | 0 | 0 | 112.4 | G292 S300 | G292-E296 WeakPolarHBondContact O-CG 3.45Å; G292-E296 PolarHBondContact O-N 2.98Å; E296-S300 WeakPolarHBondContact O-CB 3.36Å; E296-S300 PolarHBondContact O-N 2.97Å; E296-S300 PolarHBondContact O-OG 2.86Å |
| 297 | V | 71.1 | Confident | 67.3 | Low | 89 Ų | 89 | 86.3 Ų | 86.3 | 54% | 0.539 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68.2 | -40 | 174.9 | 169.7 | 0 | 0 | 0 | 0 | 111.2 | H293 A295 S300 R301 | H293-V297 VanDerWaalsContact O-CB 3.28Å; H293-V297 WeakPolarHBondContact O-CB 3.36Å; H293-V297 WeakPolarHBondContact O-CG2 3.47Å; H293-V297 PolarHBondContact O-N 3.17Å; A295-V297 VanDerWaalsContact C-N 3.3Å; A295-V297 PolarHBondContact O-N 3.03Å; V297-S300 WeakPolarHBondContact CA-OG 3.43Å; V297-S300 PolarHBondContact O-OG 2.81Å; V297-S300 VanDerWaalsContact O-OG 3.06Å; V297-R301 WeakPolarHBondContact O-CB 2.99Å; V297-R301 PolarHBondContact O-N 3.25Å |
| 298 | I | 73.2 | Confident | 69.5 | Low | 108 Ų | 108 | 83.3 Ų | 83.3 | 55% | 0.554 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -69.3 | -39 | 176.9 | -68.1 | 163.9 | 0 | 0 | 0 | 111.1 | H294 A295 T302 | H294-I298 WeakPolarHBondContact O-CB 3.32Å; H294-I298 WeakPolarHBondContact O-CD1 3.36Å; H294-I298 WeakPolarHBondContact O-CG1 3.49Å; H294-I298 PolarHBondContact O-N 3.04Å; A295-I298 PolarHBondContact O-N 3.14Å; A295-I298 VanDerWaalsContact O-N 3.16Å; I298-T302 WeakPolarHBondContact O-CB 3.25Å; I298-T302 PolarHBondContact O-N 2.97Å; I298-T302 PolarHBondContact O-OG1 2.64Å |
| 299 | E | 75.9 | Confident | 71.8 | Confident | 34 Ų | 34 | 78 Ų | 78 | 16% | 0.159 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.8 | -48.7 | 176 | -75.2 | -175.1 | -170.1 | 0 | 0 | 112.1 | I265 A295 R301 T302 L303 V354 L355 | I265-E299 VanDerWaalsContact CD1-OE1 3.23Å; I265-E299 WeakPolarHBondContact CD1-OE1 3.49Å; A295-E299 WeakPolarHBondContact O-CB 3.2Å; A295-E299 WeakPolarHBondContact O-CG 3.45Å; A295-E299 PolarHBondContact O-N 3.22Å; E299-R301 VanDerWaalsContact C-N 3.32Å; E299-R301 PolarHBondContact O-N 3.26Å; E299-T302 PolarHBondContact O-N 3.39Å; E299-L303 WeakPolarHBondContact O-CB 3.36Å; E299-L303 PolarHBondContact O-N 3.01Å; E299-V354 WeakPolarHBondContact OE2-CG1 3.42Å; E299-L355 HydrophobicContact CB-CB 4.01Å; E299-L355 HydrophobicContact CG-CB 3.94Å; E299-L355 HydrophobicContact CG-CD2 3.98Å |
| 300 | S | 78.8 | Confident | 73.8 | Confident | 59 Ų | 59 | 69.5 Ų | 69.5 | 41% | 0.413 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.8 | -37.3 | 178.5 | 57 | 0 | 0 | 0 | 0 | 111.9 | E296 V297 A304 | E296-S300 WeakPolarHBondContact O-CB 3.36Å; E296-S300 PolarHBondContact O-N 2.97Å; E296-S300 PolarHBondContact O-OG 2.86Å; V297-S300 WeakPolarHBondContact CA-OG 3.43Å; V297-S300 PolarHBondContact O-OG 2.81Å; V297-S300 VanDerWaalsContact O-OG 3.06Å; S300-A304 VanDerWaalsContact O-CB 3.27Å; S300-A304 WeakPolarHBondContact O-CB 3.31Å; S300-A304 PolarHBondContact O-N 3.31Å |
| 301 | R | 79.6 | Confident | 76.1 | Confident | 178 Ų | 178 | 67.8 Ų | 67.8 | 67% | 0.672 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -65.7 | -47.2 | 174 | -174.2 | 176.4 | 179 | -178.1 | -0.9 | 112 | V297 E299 L303 A304 L305 | V297-R301 WeakPolarHBondContact O-CB 2.99Å; V297-R301 PolarHBondContact O-N 3.25Å; E299-R301 VanDerWaalsContact C-N 3.32Å; E299-R301 PolarHBondContact O-N 3.26Å; R301-L303 VanDerWaalsContact C-N 3.3Å; R301-L303 PolarHBondContact O-N 3.11Å; R301-A304 PolarHBondContact O-N 3.04Å; R301-L305 HydrophobicContact CG-CD1 4.48Å; R301-L305 WeakPolarHBondContact O-CG 3.37Å; R301-L305 PolarHBondContact O-N 3.41Å |
| 302 | T | 81.6 | Confident | 78 | Confident | 13 Ų | 13 | 65.1 Ų | 65.1 | 8% | 0.08 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.3 | -40.6 | 177.8 | -53.8 | 0 | 0 | 0 | 0 | 111.1 | T254 L257 M258 I298 E299 L305 A306 | T254-T302 HydrophobicContact CG2-CG2 3.96Å; L257-T302 HydrophobicContact CD2-CG2 4.26Å; M258-T302 HydrophobicContact CE-CG2 3.87Å; M258-T302 VanDerWaalsContact CE-O 3.3Å; M258-T302 WeakPolarHBondContact CE-O 3.44Å; M258-T302 HydrophobicContact CG-CG2 3.67Å; I298-T302 WeakPolarHBondContact O-CB 3.25Å; I298-T302 PolarHBondContact O-N 2.97Å; I298-T302 PolarHBondContact O-OG1 2.64Å; E299-T302 PolarHBondContact O-N 3.39Å; T302-L305 PolarHBondContact O-N 3.1Å; T302-A306 PolarHBondContact O-N 3.49Å |
| 303 | L | 85.2 | Confident | 79.7 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68.9 | -38.7 | 175.9 | -169.8 | 61.8 | 0 | 0 | 0 | 112.6 | M258 E299 R301 L305 A306 R307 F349 A352 | M258-L303 HydrophobicContact CE-CB 4.35Å; M258-L303 HydrophobicContact CE-CD1 3.99Å; E299-L303 WeakPolarHBondContact O-CB 3.36Å; E299-L303 PolarHBondContact O-N 3.01Å; R301-L303 VanDerWaalsContact C-N 3.3Å; R301-L303 PolarHBondContact O-N 3.11Å; L303-L305 VanDerWaalsContact C-N 3.35Å; L303-A306 PolarHBondContact O-N 2.84Å; L303-R307 WeakPolarHBondContact O-CG 3.25Å; L303-R307 PolarHBondContact O-N 2.93Å; L303-F349 HydrophobicContact CD1-CD1 4.2Å; L303-A352 HydrophobicContact CD2-CB 4.44Å |
| 304 | A | 84.4 | Confident | 81.4 | Confident | 49 Ų | 49 | 60 Ų | 60 | 41% | 0.405 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S300 R301 R307 S308 | S300-A304 VanDerWaalsContact O-CB 3.27Å; S300-A304 WeakPolarHBondContact O-CB 3.31Å; S300-A304 PolarHBondContact O-N 3.31Å; R301-A304 PolarHBondContact O-N 3.04Å; A304-R307 PolarHBondContact O-N 3.43Å; A304-S308 WeakPolarHBondContact O-CB 3.32Å; A304-S308 PolarHBondContact O-N 3.49Å |
| 305 | L | 85.9 | Confident | 82.9 | Confident | 84 Ų | 84 | 57.5 Ų | 57.5 | 44% | 0.44 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.9 | -47.9 | 173.6 | -71.7 | 173.6 | 0 | 0 | 0 | 111.3 | R301 T302 L303 R307 S308 L309 | R301-L305 HydrophobicContact CG-CD1 4.48Å; R301-L305 WeakPolarHBondContact O-CG 3.37Å; R301-L305 PolarHBondContact O-N 3.41Å; T302-L305 PolarHBondContact O-N 3.1Å; L303-L305 VanDerWaalsContact C-N 3.35Å; L305-R307 VanDerWaalsContact C-N 3.32Å; L305-R307 PolarHBondContact O-N 3.33Å; L305-S308 PolarHBondContact O-N 2.94Å; L305-L309 WeakPolarHBondContact O-CB 3.41Å; L305-L309 WeakPolarHBondContact O-CG 3.42Å; L305-L309 PolarHBondContact O-N 3.22Å |
| 306 | A | 85.3 | Confident | 84 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.9 | -41.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L251 T254 M258 T302 L303 T310 F349 | L251-A306 HydrophobicContact CD1-CB 4.13Å; T254-A306 HydrophobicContact CG2-CB 3.96Å; M258-A306 HydrophobicContact CE-CB 3.39Å; T302-A306 PolarHBondContact O-N 3.49Å; L303-A306 PolarHBondContact O-N 2.84Å; A306-T310 WeakPolarHBondContact O-CB 3.38Å; A306-T310 PolarHBondContact O-N 3.42Å; A306-T310 PolarHBondContact O-OG1 2.9Å; A306-F349 HydrophobicContact CB-CD1 4.23Å; A306-F349 HydrophobicContact CB-CE1 4.37Å; A306-F349 HydrophobicContact CB-CG 4.41Å |
| 307 | R | 88.1 | Confident | 84.9 | Confident | 65 Ų | 65 | 50.5 Ų | 50.5 | 25% | 0.245 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.2 | -45.1 | 175.8 | -69.4 | -179.5 | -162.3 | 128.5 | -9.1 | 111.9 | L303 A304 L305 T310 Q311 F349 A352 | L303-R307 WeakPolarHBondContact O-CG 3.25Å; L303-R307 PolarHBondContact O-N 2.93Å; A304-R307 PolarHBondContact O-N 3.43Å; L305-R307 VanDerWaalsContact C-N 3.32Å; L305-R307 PolarHBondContact O-N 3.33Å; R307-T310 PolarHBondContact O-N 2.97Å; R307-Q311 WeakPolarHBondContact O-CB 3.14Å; R307-Q311 PolarHBondContact O-N 3.17Å; R307-F349 HydrophobicContact CG-CB 4.1Å; R307-F349 PolarHBondContact NE-O 3Å; R307-A352 PolarHBondContact NH2-O 2.65Å |
| 308 | S | 87.6 | Confident | 85.8 | Confident | 49 Ų | 49 | 50.4 Ų | 50.4 | 34% | 0.343 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.9 | -49.5 | 177.5 | 179 | 0 | 0 | 0 | 0 | 111.5 | A304 L305 T310 Q311 Q312 | A304-S308 WeakPolarHBondContact O-CB 3.32Å; A304-S308 PolarHBondContact O-N 3.49Å; L305-S308 PolarHBondContact O-N 2.94Å; S308-T310 PolarHBondContact O-N 3.19Å; S308-Q311 WeakPolarHBondContact O-CB 3.34Å; S308-Q311 PolarHBondContact O-N 3.33Å; S308-Q312 WeakPolarHBondContact O-CG 3.46Å; S308-Q312 PolarHBondContact O-N 3.32Å; S308-Q312 PolarHBondContact OG-NE2 3.04Å |
| 309 | L | 88 | Confident | 86.6 | Confident | 7 Ų | 7 | 50.4 Ų | 50.4 | 4% | 0.037 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 178.9 | -70 | 171.3 | 0 | 0 | 0 | 111.7 | F247 E250 L251 L305 Q311 Q312 L313 | F247-L309 HydrophobicContact CD1-CD2 4.16Å; E250-L309 HydrophobicContact CB-CD1 4.12Å; E250-L309 HydrophobicContact CB-CD2 4.3Å; E250-L309 VanDerWaalsContact CD-CD2 3.48Å; E250-L309 HydrophobicContact CG-CD1 3.73Å; E250-L309 HydrophobicContact CG-CD2 4.11Å; E250-L309 WeakPolarHBondContact OE2-CD2 3.49Å; L251-L309 HydrophobicContact CD1-CB 4.32Å; L305-L309 WeakPolarHBondContact O-CB 3.41Å; L305-L309 WeakPolarHBondContact O-CG 3.42Å; L305-L309 PolarHBondContact O-N 3.22Å; L309-Q311 VanDerWaalsContact C-N 3.3Å; L309-Q311 PolarHBondContact O-N 3.48Å; L309-Q312 PolarHBondContact O-N 2.72Å; L309-L313 VanDerWaalsContact O-CB 3.25Å; L309-L313 WeakPolarHBondContact O-CB 3.47Å; L309-L313 PolarHBondContact O-N 2.94Å |
| 310 | T | 88.2 | Confident | 87.3 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.6 | -34.5 | 178.3 | -45.4 | 0 | 0 | 0 | 0 | 111.6 | A306 R307 S308 Q314 T342 M345 | A306-T310 WeakPolarHBondContact O-CB 3.38Å; A306-T310 PolarHBondContact O-N 3.42Å; A306-T310 PolarHBondContact O-OG1 2.9Å; R307-T310 PolarHBondContact O-N 2.97Å; S308-T310 PolarHBondContact O-N 3.19Å; T310-Q314 WeakPolarHBondContact O-CB 3.37Å; T310-Q314 PolarHBondContact O-N 3.17Å; T310-T342 HydrophobicContact CG2-CG2 4.11Å; T310-M345 HydrophobicContact CG2-CB 3.78Å |
| 311 | Q | 89.8 | Confident | 87.8 | Confident | 103 Ų | 103 | 47.7 Ų | 47.7 | 48% | 0.481 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -67.9 | -44.1 | 174.4 | -174.9 | 179.7 | -2.2 | 0 | 0 | 111.9 | R307 S308 L309 L313 Q314 T315 Y346 | R307-Q311 WeakPolarHBondContact O-CB 3.14Å; R307-Q311 PolarHBondContact O-N 3.17Å; S308-Q311 WeakPolarHBondContact O-CB 3.34Å; S308-Q311 PolarHBondContact O-N 3.33Å; L309-Q311 VanDerWaalsContact C-N 3.3Å; L309-Q311 PolarHBondContact O-N 3.48Å; Q311-L313 VanDerWaalsContact C-N 3.31Å; Q311-L313 PolarHBondContact O-N 2.96Å; Q311-Q314 WeakPolarHBondContact O-CB 3.24Å; Q311-Q314 PolarHBondContact O-N 2.96Å; Q311-T315 WeakPolarHBondContact O-CG2 3.41Å; Q311-T315 PolarHBondContact O-N 2.98Å; Q311-T315 PolarHBondContact O-OG1 2.88Å; Q311-Y346 HydrophobicContact CB-CD2 4.36Å; Q311-Y346 HydrophobicContact CB-CE2 4.15Å |
| 312 | Q | 90.1 | Very high | 88.3 | Confident | 81 Ų | 81 | 42.1 Ų | 42.1 | 38% | 0.379 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.5 | -37.5 | 176.2 | -70.1 | 178.1 | 17.9 | 0 | 0 | 112 | F247 S308 L309 T315 T316 | F247-Q312 HydrophobicContact CD2-CB 4.37Å; F247-Q312 HydrophobicContact CE1-CB 4.16Å; F247-Q312 HydrophobicContact CE2-CB 3.97Å; F247-Q312 HydrophobicContact CZ-CB 3.86Å; S308-Q312 WeakPolarHBondContact O-CG 3.46Å; S308-Q312 PolarHBondContact O-N 3.32Å; S308-Q312 PolarHBondContact OG-NE2 3.04Å; L309-Q312 PolarHBondContact O-N 2.72Å; Q312-T315 PolarHBondContact O-OG1 3.44Å; Q312-T316 WeakPolarHBondContact O-CB 3.38Å; Q312-T316 PolarHBondContact O-N 2.88Å; Q312-T316 PolarHBondContact O-OG1 3.36Å |
| 313 | L | 90.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.3 | -42.9 | 172.5 | -173.7 | 52.1 | 0 | 0 | 0 | 110.7 | F247 I248 L251 L309 Q311 T316 C317 T342 M345 L370 M373 | F247-L313 HydrophobicContact CB-CB 4.24Å; F247-L313 HydrophobicContact CB-CD1 4.15Å; I248-L313 HydrophobicContact CG1-CD1 4.15Å; I248-L313 HydrophobicContact CG1-CD2 4.13Å; L251-L313 HydrophobicContact CD2-CD2 4.21Å; L309-L313 VanDerWaalsContact O-CB 3.25Å; L309-L313 WeakPolarHBondContact O-CB 3.47Å; L309-L313 PolarHBondContact O-N 2.94Å; Q311-L313 VanDerWaalsContact C-N 3.31Å; Q311-L313 PolarHBondContact O-N 2.96Å; L313-T316 PolarHBondContact O-N 2.74Å; L313-C317 WeakPolarHBondContact O-CB 3.47Å; L313-C317 PolarHBondContact O-N 3.16Å; L313-C317 PolarHBondContact O-SG 3.47Å; L313-T342 HydrophobicContact CB-CG2 4.01Å; L313-T342 HydrophobicContact CD2-CG2 4.26Å; L313-T342 HydrophobicContact CG-CG2 3.82Å; L313-M345 HydrophobicContact CD2-CE 4.36Å; L313-L370 HydrophobicContact CD2-CD2 4.01Å; L313-M373 HydrophobicContact CD1-CE 3.86Å; L313-M373 HydrophobicContact CD1-SD 4.3Å; L313-M373 HydrophobicContact CD2-CE 3.34Å; L313-M373 HydrophobicContact CG-CE 3.71Å; L313-M373 HydrophobicContact CG-SD 4.48Å |
| 314 | Q | 90.9 | Very high | 88.7 | Confident | 50 Ų | 50 | 43 Ų | 43 | 23% | 0.234 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.1 | -47.5 | 178.7 | -170.3 | -179.4 | 25.8 | 0 | 0 | 111.8 | T310 Q311 T316 C317 L318 T342 | T310-Q314 WeakPolarHBondContact O-CB 3.37Å; T310-Q314 PolarHBondContact O-N 3.17Å; Q311-Q314 WeakPolarHBondContact O-CB 3.24Å; Q311-Q314 PolarHBondContact O-N 2.96Å; Q314-T316 VanDerWaalsContact C-N 3.32Å; Q314-T316 PolarHBondContact O-N 3.15Å; Q314-C317 PolarHBondContact O-N 3.39Å; Q314-L318 HydrophobicContact CG-CD1 4.34Å; Q314-L318 VanDerWaalsContact O-CG 3.31Å; Q314-L318 WeakPolarHBondContact O-CG 3.25Å; Q314-L318 PolarHBondContact O-N 3Å; Q314-T342 HydrophobicContact CB-CG2 3.77Å; Q314-T342 HydrophobicContact CG-CG2 4.45Å |
| 315 | T | 90.2 | Very high | 88.9 | Confident | 73 Ų | 73 | 46 Ų | 46 | 45% | 0.448 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 178.5 | 54.2 | 0 | 0 | 0 | 0 | 111.2 | Q311 Q312 L318 V319 | Q311-T315 WeakPolarHBondContact O-CG2 3.41Å; Q311-T315 PolarHBondContact O-N 2.98Å; Q311-T315 PolarHBondContact O-OG1 2.88Å; Q312-T315 PolarHBondContact O-OG1 3.44Å; T315-L318 PolarHBondContact O-N 3.41Å; T315-V319 WeakPolarHBondContact O-CG2 3.45Å; T315-V319 PolarHBondContact O-N 2.91Å |
| 316 | T | 89.7 | Confident | 88.9 | Confident | 17 Ų | 17 | 43.4 Ų | 43.4 | 10% | 0.104 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.9 | -44.8 | 177.5 | -54 | 0 | 0 | 0 | 0 | 111.6 | R243 S244 Q312 L313 Q314 L318 V319 L320 | R243-T316 HydrophobicContact CB-CG2 4.44Å; R243-T316 HydrophobicContact CG-CG2 4.26Å; S244-T316 VanDerWaalsContact OG-CG2 3.32Å; S244-T316 WeakPolarHBondContact OG-CG2 3.34Å; Q312-T316 WeakPolarHBondContact O-CB 3.38Å; Q312-T316 PolarHBondContact O-N 2.88Å; Q312-T316 PolarHBondContact O-OG1 3.36Å; L313-T316 PolarHBondContact O-N 2.74Å; Q314-T316 VanDerWaalsContact C-N 3.32Å; Q314-T316 PolarHBondContact O-N 3.15Å; T316-L318 VanDerWaalsContact C-N 3.33Å; T316-L318 PolarHBondContact O-N 3.37Å; T316-V319 PolarHBondContact O-N 2.83Å; T316-L320 WeakPolarHBondContact O-CG 3.18Å; T316-L320 PolarHBondContact O-N 3.33Å |
| 317 | C | 89.4 | Confident | 89.1 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.4 | -39.6 | 174.9 | -68 | 0 | 0 | 0 | 0 | 112.4 | L313 Q314 L320 V321 L338 | L313-C317 WeakPolarHBondContact O-CB 3.47Å; L313-C317 PolarHBondContact O-N 3.16Å; L313-C317 PolarHBondContact O-SG 3.47Å; Q314-C317 PolarHBondContact O-N 3.39Å; C317-L320 WeakPolarHBondContact O-CB 3.48Å; C317-L320 PolarHBondContact O-N 3.06Å; C317-V321 WeakPolarHBondContact O-CG2 3.01Å; C317-V321 PolarHBondContact O-N 3.14Å; C317-L338 HydrophobicContact CB-CD2 4.2Å |
| 318 | L | 89.9 | Confident | 89.2 | Confident | 88 Ų | 88 | 42.7 Ų | 42.7 | 46% | 0.461 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.9 | -37.7 | 177.7 | -73.1 | 171.2 | 0 | 0 | 0 | 112.7 | Q314 T315 T316 S322 | Q314-L318 HydrophobicContact CG-CD1 4.34Å; Q314-L318 VanDerWaalsContact O-CG 3.31Å; Q314-L318 WeakPolarHBondContact O-CG 3.25Å; Q314-L318 PolarHBondContact O-N 3Å; T315-L318 PolarHBondContact O-N 3.41Å; T316-L318 VanDerWaalsContact C-N 3.33Å; T316-L318 PolarHBondContact O-N 3.37Å; L318-S322 WeakPolarHBondContact O-CB 3.45Å; L318-S322 PolarHBondContact O-N 3.31Å; L318-S322 PolarHBondContact O-OG 2.88Å |
| 319 | V | 90.1 | Very high | 89.2 | Confident | 108 Ų | 108 | 46.3 Ų | 46.3 | 66% | 0.655 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -64.2 | -44.7 | 173.4 | 172.8 | 0 | 0 | 0 | 0 | 110.1 | T315 T316 S322 G323 | T315-V319 WeakPolarHBondContact O-CG2 3.45Å; T315-V319 PolarHBondContact O-N 2.91Å; T316-V319 PolarHBondContact O-N 2.83Å; V319-S322 WeakPolarHBondContact O-CB 3.2Å; V319-S322 PolarHBondContact O-N 2.96Å; V319-G323 PolarHBondContact O-N 3.48Å |
| 320 | L | 89.8 | Confident | 89.2 | Confident | 8 Ų | 8 | 51 Ų | 51 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.2 | -49.5 | 174.8 | -74.9 | 173.4 | 0 | 0 | 0 | 111.9 | I237 T316 C317 S322 G323 L324 L377 | I237-L320 HydrophobicContact CD1-CD2 3.9Å; I237-L320 HydrophobicContact CG2-CD2 4.24Å; T316-L320 WeakPolarHBondContact O-CG 3.18Å; T316-L320 PolarHBondContact O-N 3.33Å; C317-L320 WeakPolarHBondContact O-CB 3.48Å; C317-L320 PolarHBondContact O-N 3.06Å; L320-S322 VanDerWaalsContact C-N 3.25Å; L320-S322 PolarHBondContact O-N 3.46Å; L320-G323 CarbonylContact O-C 3.52Å; L320-G323 WeakPolarHBondContact O-CA 3.38Å; L320-G323 PolarHBondContact O-N 3.43Å; L320-L324 VanDerWaalsContact O-CG 3.25Å; L320-L324 WeakPolarHBondContact O-CG 3.45Å; L320-L324 PolarHBondContact O-N 3.29Å; L320-L377 HydrophobicContact CD1-CD2 3.82Å |
| 321 | V | 90.3 | Very high | 89.3 | Confident | 27 Ų | 27 | 51.2 Ų | 51.2 | 16% | 0.164 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -55.8 | -42.3 | 175.9 | 168.3 | 0 | 0 | 0 | 0 | 111.5 | C317 G323 L324 A335 L336 S339 | C317-V321 WeakPolarHBondContact O-CG2 3.01Å; C317-V321 PolarHBondContact O-N 3.14Å; V321-G323 VanDerWaalsContact C-N 3.29Å; V321-G323 PolarHBondContact O-N 3.25Å; V321-L324 PolarHBondContact O-N 3.5Å; V321-L324 VanDerWaalsContact O-N 3.14Å; V321-A335 HydrophobicContact CG2-CB 3.85Å; V321-A335 WeakPolarHBondContact CG2-O 3.46Å; V321-L336 HydrophobicContact CG1-CD2 3.92Å; V321-S339 VanDerWaalsContact CG2-OG 3.29Å; V321-S339 WeakPolarHBondContact CG2-OG 3.31Å |
| 322 | S | 88.8 | Confident | 89.2 | Confident | 61 Ų | 61 | 49.2 Ų | 49.2 | 43% | 0.427 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.8 | -36 | 177.8 | -60.4 | 0 | 0 | 0 | 0 | 112 | L318 V319 L320 L324 K325 | L318-S322 WeakPolarHBondContact O-CB 3.45Å; L318-S322 PolarHBondContact O-N 3.31Å; L318-S322 PolarHBondContact O-OG 2.88Å; V319-S322 WeakPolarHBondContact O-CB 3.2Å; V319-S322 PolarHBondContact O-N 2.96Å; L320-S322 VanDerWaalsContact C-N 3.25Å; L320-S322 PolarHBondContact O-N 3.46Å; S322-L324 VanDerWaalsContact C-N 3.29Å; S322-L324 PolarHBondContact O-N 2.9Å; S322-K325 WeakPolarHBondContact O-CG 3.33Å |
| 323 | G | 87.7 | Confident | 89.1 | Confident | 27 Ų | 27 | 52 Ų | 52 | 28% | 0.278 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -71.9 | -17.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | V319 L320 V321 W392 | V319-G323 PolarHBondContact O-N 3.48Å; L320-G323 CarbonylContact O-C 3.52Å; L320-G323 WeakPolarHBondContact O-CA 3.38Å; L320-G323 PolarHBondContact O-N 3.43Å; V321-G323 VanDerWaalsContact C-N 3.29Å; V321-G323 PolarHBondContact O-N 3.25Å; G323-W392 PolarHBondContact O-NE1 2.84Å |
| 324 | L | 88 | Confident | 88.9 | Confident | 5 Ų | 5 | 54.1 Ų | 54.1 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 9.2 | -179.3 | -64.8 | 168.1 | 0 | 0 | 0 | 113.5 | I237 L320 V321 S322 G326 L327 A335 V380 L384 | I237-L324 HydrophobicContact CD1-CD2 4.14Å; I237-L324 HydrophobicContact CD1-CG 4.32Å; I237-L324 HydrophobicContact CG1-CD2 4.45Å; L320-L324 VanDerWaalsContact O-CG 3.25Å; L320-L324 WeakPolarHBondContact O-CG 3.45Å; L320-L324 PolarHBondContact O-N 3.29Å; V321-L324 PolarHBondContact O-N 3.5Å; V321-L324 VanDerWaalsContact O-N 3.14Å; S322-L324 VanDerWaalsContact C-N 3.29Å; S322-L324 PolarHBondContact O-N 2.9Å; L324-G326 PolarHBondContact O-N 3.45Å; L324-L327 VanDerWaalsContact CA-CD1 3.48Å; L324-L327 HydrophobicContact CB-CD1 3.87Å; L324-L327 HydrophobicContact CD2-CD1 3.68Å; L324-L327 HydrophobicContact CG-CD1 4.39Å; L324-L327 WeakPolarHBondContact O-CD1 3.37Å; L324-L327 PolarHBondContact O-N 2.89Å; L324-A335 HydrophobicContact CD1-CB 3.51Å; L324-V380 HydrophobicContact CD1-CG1 3.8Å; L324-V380 HydrophobicContact CD2-CG1 3.71Å; L324-V380 HydrophobicContact CG-CG1 4.43Å; L324-L384 HydrophobicContact CD2-CD1 4.18Å |
| 325 | K | 88.1 | Confident | 88.8 | Confident | 114 Ų | 114 | 51.9 Ų | 51.9 | 50% | 0.496 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 128 | 178.1 | -75.5 | 178.9 | 179.5 | 175.3 | 0 | 111.3 | S322 L393 | S322-K325 WeakPolarHBondContact O-CG 3.33Å; K325-L393 HydrophobicContact CB-CB 4.42Å; K325-L393 HydrophobicContact CB-CD2 4.45Å; K325-L393 VanDerWaalsContact O-CB 3.31Å; K325-L393 WeakPolarHBondContact O-CB 3.42Å; K325-L393 PolarHBondContact O-N 3.4Å |
| 326 | G | 85.8 | Confident | 88.6 | Confident | 28 Ų | 28 | 53 Ų | 53 | 29% | 0.289 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.6 | -1.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | L324 N391 | L324-G326 PolarHBondContact O-N 3.45Å; G326-N391 WeakPolarHBondContact CA-O 3.48Å; G326-N391 CarbonylContact O-C 3.56Å; G326-N391 VanDerWaalsContact O-C 3.22Å; G326-N391 WeakPolarHBondContact O-CB 3.35Å |
| 327 | L | 89.9 | Confident | 88.5 | Confident | 6 Ų | 6 | 55 Ų | 55 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -70.1 | 167.1 | 165.2 | -83.4 | 109.9 | 0 | 0 | 0 | 112.1 | L324 I331 Q332 Y383 L384 P389 W392 | L324-L327 VanDerWaalsContact CA-CD1 3.48Å; L324-L327 HydrophobicContact CB-CD1 3.87Å; L324-L327 HydrophobicContact CD2-CD1 3.68Å; L324-L327 HydrophobicContact CG-CD1 4.39Å; L324-L327 WeakPolarHBondContact O-CD1 3.37Å; L324-L327 PolarHBondContact O-N 2.89Å; L327-I331 HydrophobicContact CB-CB 4.33Å; L327-I331 HydrophobicContact CB-CG2 4.34Å; L327-I331 HydrophobicContact CD2-CB 4.4Å; L327-I331 HydrophobicContact CD2-CG2 3.89Å; L327-Q332 HydrophobicContact CB-CG 4.36Å; L327-Q332 PolarHBondContact O-NE2 2.82Å; L327-Y383 HydrophobicContact CD2-CD1 3.54Å; L327-Y383 HydrophobicContact CD2-CE1 3.47Å; L327-Y383 VanDerWaalsContact CD2-CE1 3.47Å; L327-L384 HydrophobicContact CD2-CD2 3.7Å; L327-L384 HydrophobicContact CD2-CG 4.4Å; L327-P389 HydrophobicContact CD2-CG 4.33Å; L327-P389 HydrophobicContact CG-CG 4.37Å; L327-W392 HydrophobicContact CD1-CD2 4.18Å; L327-W392 HydrophobicContact CD1-CG 3.85Å; L327-W392 HydrophobicContact CG-CG 4.37Å |
| 328 | P | 90.3 | Very high | 88.4 | Confident | 44 Ų | 44 | 55.3 Ų | 55.3 | 29% | 0.286 | 31% | 0.307 | S | S | . | . | trans | -56.2 | 152.7 | 174.7 | -25.8 | 35.5 | 0 | 0 | 0 | 113.5 | H330 I331 Q332 Y383 | P328-H330 WeakPolarHBondContact CB-ND1 3.5Å; P328-H330 PolarHBondContact O-N 2.83Å; P328-H330 VanDerWaalsContact O-N 3.15Å; P328-I331 PolarHBondContact O-N 2.95Å; P328-I331 VanDerWaalsContact O-N 3.11Å; P328-Q332 PolarHBondContact O-N 2.76Å; P328-Q332 VanDerWaalsContact O-N 3.11Å; P328-Y383 WeakPolarHBondContact CD-OH 3.28Å; P328-Y383 HydrophobicContact CG-CE1 4.3Å; P328-Y383 HydrophobicContact CG-CE2 4.23Å; P328-Y383 WeakPolarHBondContact CG-OH 3.08Å | ||
| 329 | N | 87.9 | Confident | 88.3 | Confident | 125 Ų | 125 | 51.7 Ų | 51.7 | 67% | 0.668 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -56.2 | -35.1 | -175.3 | -69.3 | -21.7 | 0 | 0 | 0 | 113.8 | Q332 Q333 | N329-Q332 PolarHBondContact O-N 3.36Å; N329-Q333 WeakPolarHBondContact O-CB 3.26Å; N329-Q333 VanDerWaalsContact O-CG 3.28Å; N329-Q333 WeakPolarHBondContact O-CG 3.31Å; N329-Q333 PolarHBondContact O-N 2.74Å |
| 330 | H | 88.2 | Confident | 88.3 | Confident | 107 Ų | 107 | 52 Ų | 52 | 50% | 0.495 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 179.2 | 68.5 | -84.9 | 0 | 0 | 0 | 112 | P328 Q333 E334 Y383 | P328-H330 WeakPolarHBondContact CB-ND1 3.5Å; P328-H330 PolarHBondContact O-N 2.83Å; P328-H330 VanDerWaalsContact O-N 3.15Å; H330-Q333 PolarHBondContact O-N 3.49Å; H330-E334 WeakPolarHBondContact O-CB 3.41Å; H330-E334 PolarHBondContact O-N 2.61Å; H330-Y383 AromaticContact NE2-CD2 3.98Å |
| 331 | I | 89 | Confident | 88.2 | Confident | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.1 | -40 | 177.1 | -56.3 | -58.7 | 0 | 0 | 0 | 111.4 | L327 P328 E334 A335 V380 Y383 | L327-I331 HydrophobicContact CB-CB 4.33Å; L327-I331 HydrophobicContact CB-CG2 4.34Å; L327-I331 HydrophobicContact CD2-CB 4.4Å; L327-I331 HydrophobicContact CD2-CG2 3.89Å; P328-I331 PolarHBondContact O-N 2.95Å; P328-I331 VanDerWaalsContact O-N 3.11Å; I331-E334 PolarHBondContact O-N 2.83Å; I331-A335 PolarHBondContact O-N 3.45Å; I331-V380 HydrophobicContact CG2-CG1 4.26Å; I331-V380 HydrophobicContact CG2-CG2 4.07Å; I331-Y383 HydrophobicContact CD1-CD1 4.26Å; I331-Y383 HydrophobicContact CD1-CD2 3.97Å; I331-Y383 HydrophobicContact CD1-CG 3.66Å; I331-Y383 HydrophobicContact CG1-CD1 3.88Å; I331-Y383 HydrophobicContact CG1-CD2 4.04Å; I331-Y383 HydrophobicContact CG1-CE1 4.32Å; I331-Y383 HydrophobicContact CG1-CE2 4.46Å; I331-Y383 HydrophobicContact CG1-CG 3.74Å |
| 332 | Q | 87.9 | Confident | 88.1 | Confident | 60 Ų | 60 | 51.4 Ų | 51.4 | 28% | 0.28 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.8 | -40.5 | 176.5 | -68.3 | -168.6 | 33.1 | 0 | 0 | 111.8 | L327 P328 N329 E334 A335 L336 | L327-Q332 HydrophobicContact CB-CG 4.36Å; L327-Q332 PolarHBondContact O-NE2 2.82Å; P328-Q332 PolarHBondContact O-N 2.76Å; P328-Q332 VanDerWaalsContact O-N 3.11Å; N329-Q332 PolarHBondContact O-N 3.36Å; Q332-E334 VanDerWaalsContact C-N 3.34Å; Q332-A335 PolarHBondContact O-N 2.98Å; Q332-L336 WeakPolarHBondContact O-CB 3.45Å; Q332-L336 VanDerWaalsContact O-CG 3.26Å; Q332-L336 WeakPolarHBondContact O-CG 3.5Å; Q332-L336 PolarHBondContact O-N 3.49Å |
| 333 | Q | 88.4 | Confident | 88.1 | Confident | 139 Ų | 139 | 49.6 Ų | 49.6 | 65% | 0.65 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -64.2 | -40.7 | 175.7 | -78.2 | -178.6 | -16.8 | 0 | 0 | 111.9 | N329 H330 L336 S337 | N329-Q333 WeakPolarHBondContact O-CB 3.26Å; N329-Q333 VanDerWaalsContact O-CG 3.28Å; N329-Q333 WeakPolarHBondContact O-CG 3.31Å; N329-Q333 PolarHBondContact O-N 2.74Å; H330-Q333 PolarHBondContact O-N 3.49Å; Q333-L336 PolarHBondContact O-N 3.22Å; Q333-S337 WeakPolarHBondContact O-CB 3.14Å; Q333-S337 PolarHBondContact O-N 3.11Å |
| 334 | E | 87.6 | Confident | 88.1 | Confident | 45 Ų | 45 | 52.5 Ų | 52.5 | 21% | 0.21 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.6 | -46.4 | 176.2 | -174.9 | 157.2 | -152.5 | 0 | 0 | 111.1 | H330 I331 Q332 L336 S337 L338 S376 N379 V380 | H330-E334 WeakPolarHBondContact O-CB 3.41Å; H330-E334 PolarHBondContact O-N 2.61Å; I331-E334 PolarHBondContact O-N 2.83Å; Q332-E334 VanDerWaalsContact C-N 3.34Å; E334-L336 PolarHBondContact O-N 3.45Å; E334-S337 WeakPolarHBondContact O-CB 3.41Å; E334-S337 PolarHBondContact O-N 2.93Å; E334-S337 PolarHBondContact O-OG 3.02Å; E334-L338 PolarHBondContact O-N 3.46Å; E334-L338 VanDerWaalsContact O-N 3.08Å; E334-S376 WeakPolarHBondContact CG-OG 3.5Å; E334-S376 WeakPolarHBondContact OE1-CA 3.46Å; E334-N379 WeakPolarHBondContact OE1-CB 3.4Å; E334-N379 PolarHBondContact OE1-ND2 2.75Å; E334-V380 HydrophobicContact CG-CG2 4.49Å |
| 335 | A | 87.2 | Confident | 88.1 | Confident | 3 Ų | 3 | 52.3 Ų | 52.3 | 3% | 0.025 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.9 | -35.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | V321 L324 I331 Q332 L338 S339 | V321-A335 HydrophobicContact CG2-CB 3.85Å; V321-A335 WeakPolarHBondContact CG2-O 3.46Å; L324-A335 HydrophobicContact CD1-CB 3.51Å; I331-A335 PolarHBondContact O-N 3.45Å; Q332-A335 PolarHBondContact O-N 2.98Å; A335-L338 WeakPolarHBondContact O-CB 3.23Å; A335-L338 PolarHBondContact O-N 2.87Å; A335-S339 PolarHBondContact O-N 2.94Å |
| 336 | L | 86.8 | Confident | 88.2 | Confident | 97 Ų | 97 | 50.2 Ų | 50.2 | 51% | 0.508 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67.6 | -38.6 | 173.7 | -73.8 | 170.2 | 0 | 0 | 0 | 111.7 | V321 Q332 Q333 E334 L338 S339 H340 | V321-L336 HydrophobicContact CG1-CD2 3.92Å; Q332-L336 WeakPolarHBondContact O-CB 3.45Å; Q332-L336 VanDerWaalsContact O-CG 3.26Å; Q332-L336 WeakPolarHBondContact O-CG 3.5Å; Q332-L336 PolarHBondContact O-N 3.49Å; Q333-L336 PolarHBondContact O-N 3.22Å; E334-L336 PolarHBondContact O-N 3.45Å; L336-L338 PolarHBondContact O-N 3.2Å; L336-S339 PolarHBondContact O-N 3.35Å; L336-H340 PolarHBondContact O-N 3.03Å |
| 337 | S | 86.6 | Confident | 88.2 | Confident | 59 Ų | 59 | 53.2 Ų | 53.2 | 41% | 0.413 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.7 | -33.9 | 175.1 | 84.1 | 0 | 0 | 0 | 0 | 111.8 | Q333 E334 H340 S341 | Q333-S337 WeakPolarHBondContact O-CB 3.14Å; Q333-S337 PolarHBondContact O-N 3.11Å; E334-S337 WeakPolarHBondContact O-CB 3.41Å; E334-S337 PolarHBondContact O-N 2.93Å; E334-S337 PolarHBondContact O-OG 3.02Å; S337-H340 PolarHBondContact O-N 2.91Å; S337-S341 WeakPolarHBondContact O-CB 3.13Å; S337-S341 PolarHBondContact O-N 3.15Å; S337-S341 PolarHBondContact O-OG 2.76Å |
| 338 | L | 87.8 | Confident | 88 | Confident | 6 Ų | 6 | 53.8 Ų | 53.8 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -56.9 | -55.8 | 172.4 | -156.3 | 72 | 0 | 0 | 0 | 111.3 | C317 E334 A335 L336 H340 S341 T342 M373 L377 | C317-L338 HydrophobicContact CB-CD2 4.2Å; E334-L338 PolarHBondContact O-N 3.46Å; E334-L338 VanDerWaalsContact O-N 3.08Å; A335-L338 WeakPolarHBondContact O-CB 3.23Å; A335-L338 PolarHBondContact O-N 2.87Å; L336-L338 PolarHBondContact O-N 3.2Å; L338-H340 VanDerWaalsContact C-N 3.32Å; L338-H340 PolarHBondContact O-N 3.32Å; L338-S341 PolarHBondContact O-N 3.32Å; L338-T342 PolarHBondContact O-N 2.83Å; L338-T342 PolarHBondContact O-OG1 2.65Å; L338-T342 VanDerWaalsContact O-OG1 3.11Å; L338-M373 HydrophobicContact CD1-CB 3.57Å; L338-M373 HydrophobicContact CD1-CG 3.21Å; L338-M373 HydrophobicContact CD1-SD 3.48Å; L338-M373 WeakPolarHBondContact CD1-SD 3.35Å; L338-M373 HydrophobicContact CD2-SD 4.32Å; L338-M373 HydrophobicContact CG-CG 4Å; L338-M373 HydrophobicContact CG-SD 3.58Å; L338-M373 VanDerWaalsContact CG-SD 3.58Å; L338-L377 HydrophobicContact CD1-CG 4.3Å; L338-L377 HydrophobicContact CD2-CD2 3.65Å; L338-L377 HydrophobicContact CD2-CG 3.98Å |
| 339 | S | 88.3 | Confident | 87.8 | Confident | 13 Ų | 13 | 51.7 Ų | 51.7 | 9% | 0.091 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.7 | -38.5 | -177.3 | -65.8 | 0 | 0 | 0 | 0 | 111.7 | V321 A335 L336 T342 A343 | V321-S339 VanDerWaalsContact CG2-OG 3.29Å; V321-S339 WeakPolarHBondContact CG2-OG 3.31Å; A335-S339 PolarHBondContact O-N 2.94Å; L336-S339 PolarHBondContact O-N 3.35Å; S339-T342 PolarHBondContact O-N 3.35Å; S339-A343 WeakPolarHBondContact O-CB 3.36Å; S339-A343 PolarHBondContact O-N 3.16Å |
| 340 | H | 89.3 | Confident | 87.7 | Confident | 113 Ų | 113 | 47.9 Ų | 47.9 | 52% | 0.523 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.9 | -43.6 | 175.6 | -178.6 | -99.1 | 0 | 0 | 0 | 111.9 | L336 S337 L338 T342 A343 Q344 | L336-H340 PolarHBondContact O-N 3.03Å; S337-H340 PolarHBondContact O-N 2.91Å; L338-H340 VanDerWaalsContact C-N 3.32Å; L338-H340 PolarHBondContact O-N 3.32Å; H340-T342 VanDerWaalsContact C-N 3.32Å; H340-T342 PolarHBondContact O-N 2.68Å; H340-A343 PolarHBondContact O-N 3.31Å; H340-Q344 VanDerWaalsContact CE1-CD 3.45Å; H340-Q344 PolarHBondContact CE1-NE2 2.86Å; H340-Q344 WeakPolarHBondContact O-CG 3.35Å; H340-Q344 PolarHBondContact O-N 3.35Å |
| 341 | S | 88.4 | Confident | 87.5 | Confident | 23 Ų | 23 | 53.1 Ų | 53.1 | 16% | 0.161 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.2 | -43.5 | 176.6 | -59.8 | 0 | 0 | 0 | 0 | 110.9 | S337 L338 A343 Q344 M345 | S337-S341 WeakPolarHBondContact O-CB 3.13Å; S337-S341 PolarHBondContact O-N 3.15Å; S337-S341 PolarHBondContact O-OG 2.76Å; L338-S341 PolarHBondContact O-N 3.32Å; S341-A343 PolarHBondContact O-N 3.48Å; S341-Q344 WeakPolarHBondContact O-CB 3.45Å; S341-Q344 PolarHBondContact O-N 2.98Å; S341-M345 WeakPolarHBondContact O-CG 3.27Å; S341-M345 PolarHBondContact O-N 3.25Å |
| 342 | T | 88.3 | Confident | 87.1 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.9 | -38 | 176.4 | -51.3 | 0 | 0 | 0 | 0 | 113.1 | T310 L313 Q314 L338 S339 H340 Q344 M345 Y346 M373 | T310-T342 HydrophobicContact CG2-CG2 4.11Å; L313-T342 HydrophobicContact CB-CG2 4.01Å; L313-T342 HydrophobicContact CD2-CG2 4.26Å; L313-T342 HydrophobicContact CG-CG2 3.82Å; Q314-T342 HydrophobicContact CB-CG2 3.77Å; Q314-T342 HydrophobicContact CG-CG2 4.45Å; L338-T342 PolarHBondContact O-N 2.83Å; L338-T342 PolarHBondContact O-OG1 2.65Å; L338-T342 VanDerWaalsContact O-OG1 3.11Å; S339-T342 PolarHBondContact O-N 3.35Å; H340-T342 VanDerWaalsContact C-N 3.32Å; H340-T342 PolarHBondContact O-N 2.68Å; T342-Q344 VanDerWaalsContact C-N 3.33Å; T342-Q344 PolarHBondContact O-N 3.18Å; T342-M345 HydrophobicContact CG2-CE 4.19Å; T342-M345 PolarHBondContact O-N 3.45Å; T342-Y346 PolarHBondContact O-N 2.76Å; T342-M373 PolarHBondContact OG1-SD 2.93Å; T342-M373 VanDerWaalsContact OG1-SD 3.41Å |
| 343 | A | 88.6 | Confident | 86.6 | Confident | 23 Ų | 23 | 58.4 Ų | 58.4 | 19% | 0.19 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.9 | -37.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S339 H340 S341 Y346 N347 | S339-A343 WeakPolarHBondContact O-CB 3.36Å; S339-A343 PolarHBondContact O-N 3.16Å; H340-A343 PolarHBondContact O-N 3.31Å; S341-A343 PolarHBondContact O-N 3.48Å; A343-Y346 PolarHBondContact O-N 2.94Å; A343-N347 WeakPolarHBondContact O-CB 3.47Å; A343-N347 VanDerWaalsContact O-CG 3.31Å; A343-N347 PolarHBondContact O-N 2.68Å; A343-N347 PolarHBondContact O-ND2 2.86Å |
| 344 | Q | 87.5 | Confident | 86 | Confident | 88 Ų | 88 | 55.2 Ų | 55.2 | 41% | 0.411 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.7 | -43.7 | 174.8 | -72.4 | -174.8 | -29 | 0 | 0 | 111.9 | H340 S341 T342 Y346 N347 G348 | H340-Q344 VanDerWaalsContact CE1-CD 3.45Å; H340-Q344 PolarHBondContact CE1-NE2 2.86Å; H340-Q344 WeakPolarHBondContact O-CG 3.35Å; H340-Q344 PolarHBondContact O-N 3.35Å; S341-Q344 WeakPolarHBondContact O-CB 3.45Å; S341-Q344 PolarHBondContact O-N 2.98Å; T342-Q344 VanDerWaalsContact C-N 3.33Å; T342-Q344 PolarHBondContact O-N 3.18Å; Q344-Y346 VanDerWaalsContact C-N 3.35Å; Q344-Y346 PolarHBondContact O-N 2.93Å; Q344-N347 PolarHBondContact O-N 3.26Å; Q344-G348 PolarHBondContact O-N 3.48Å |
| 345 | M | 88.9 | Confident | 85.3 | Confident | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.9 | -45.5 | 174.4 | -66 | -173.8 | -66.6 | 0 | 0 | 111.2 | T310 L313 S341 T342 N347 G348 F349 T366 Q369 L370 M373 | T310-M345 HydrophobicContact CG2-CB 3.78Å; L313-M345 HydrophobicContact CD2-CE 4.36Å; S341-M345 WeakPolarHBondContact O-CG 3.27Å; S341-M345 PolarHBondContact O-N 3.25Å; T342-M345 HydrophobicContact CG2-CE 4.19Å; T342-M345 PolarHBondContact O-N 3.45Å; M345-N347 VanDerWaalsContact C-N 3.35Å; M345-N347 PolarHBondContact O-N 3.43Å; M345-G348 WeakPolarHBondContact O-CA 3.34Å; M345-G348 PolarHBondContact O-N 3.01Å; M345-G348 VanDerWaalsContact O-N 3.1Å; M345-F349 WeakPolarHBondContact O-CD2 3.3Å; M345-F349 PolarHBondContact O-N 3Å; M345-T366 HydrophobicContact CG-CG2 4.25Å; M345-T366 HydrophobicContact SD-CG2 3.74Å; M345-Q369 HydrophobicContact CG-CB 4.32Å; M345-Q369 HydrophobicContact SD-CB 3.96Å; M345-L370 HydrophobicContact CE-CD2 3.8Å; M345-L370 HydrophobicContact CE-CG 4.37Å; M345-L370 HydrophobicContact SD-CD2 3.84Å; M345-L370 HydrophobicContact SD-CG 3.78Å; M345-M373 HydrophobicContact CE-CE 3.64Å |
| 346 | Y | 88.9 | Confident | 84.4 | Confident | 70 Ų | 70 | 56.5 Ų | 56.5 | 28% | 0.275 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 178.2 | 178.9 | -96.9 | 0 | 0 | 0 | 111.7 | Q311 T342 A343 Q344 G348 F349 S350 | Q311-Y346 HydrophobicContact CB-CD2 4.36Å; Q311-Y346 HydrophobicContact CB-CE2 4.15Å; T342-Y346 PolarHBondContact O-N 2.76Å; A343-Y346 PolarHBondContact O-N 2.94Å; Q344-Y346 VanDerWaalsContact C-N 3.35Å; Q344-Y346 PolarHBondContact O-N 2.93Å; Y346-G348 VanDerWaalsContact C-N 3.28Å; Y346-G348 PolarHBondContact O-N 3.24Å; Y346-F349 PolarHBondContact O-N 3.26Å; Y346-S350 VanDerWaalsContact O-CB 3.25Å; Y346-S350 WeakPolarHBondContact O-CB 3.4Å; Y346-S350 PolarHBondContact O-N 3.28Å; Y346-S350 PolarHBondContact O-OG 3.43Å |
| 347 | N | 87.3 | Confident | 83.8 | Confident | 91 Ų | 91 | 57.3 Ų | 57.3 | 49% | 0.487 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.5 | -33.8 | 175.2 | -75.5 | -24.8 | 0 | 0 | 0 | 112.3 | A343 Q344 M345 S350 R351 | A343-N347 WeakPolarHBondContact O-CB 3.47Å; A343-N347 VanDerWaalsContact O-CG 3.31Å; A343-N347 PolarHBondContact O-N 2.68Å; A343-N347 PolarHBondContact O-ND2 2.86Å; Q344-N347 PolarHBondContact O-N 3.26Å; M345-N347 VanDerWaalsContact C-N 3.35Å; M345-N347 PolarHBondContact O-N 3.43Å; N347-S350 VanDerWaalsContact CA-OG 3.32Å; N347-S350 WeakPolarHBondContact CA-OG 3.34Å; N347-S350 PolarHBondContact O-OG 3.38Å; N347-R351 WeakPolarHBondContact O-CD 3.48Å; N347-R351 WeakPolarHBondContact O-CG 3.27Å; N347-R351 PolarHBondContact O-N 2.95Å |
| 348 | G | 85.7 | Confident | 83.5 | Confident | 18 Ų | 18 | 54.7 Ų | 54.7 | 19% | 0.186 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.2 | -49.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q344 M345 Y346 L358 | Q344-G348 PolarHBondContact O-N 3.48Å; M345-G348 WeakPolarHBondContact O-CA 3.34Å; M345-G348 PolarHBondContact O-N 3.01Å; M345-G348 VanDerWaalsContact O-N 3.1Å; Y346-G348 VanDerWaalsContact C-N 3.28Å; Y346-G348 PolarHBondContact O-N 3.24Å; G348-L358 WeakPolarHBondContact O-CD1 3.47Å |
| 349 | F | 84.9 | Confident | 83.2 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -78.3 | -27.1 | -177.9 | -68.2 | -65.1 | 0 | 0 | 0 | 114.6 | L251 V255 M258 L303 A306 R307 M345 Y346 L358 L363 T366 | L251-F349 HydrophobicContact CD1-CE2 4.45Å; V255-F349 HydrophobicContact CG2-CZ 3.91Å; M258-F349 HydrophobicContact SD-CE1 4.03Å; L303-F349 HydrophobicContact CD1-CD1 4.2Å; A306-F349 HydrophobicContact CB-CD1 4.23Å; A306-F349 HydrophobicContact CB-CE1 4.37Å; A306-F349 HydrophobicContact CB-CG 4.41Å; R307-F349 HydrophobicContact CG-CB 4.1Å; R307-F349 PolarHBondContact NE-O 3Å; M345-F349 WeakPolarHBondContact O-CD2 3.3Å; M345-F349 PolarHBondContact O-N 3Å; Y346-F349 PolarHBondContact O-N 3.26Å; F349-L358 HydrophobicContact CD1-CD1 4Å; F349-L358 HydrophobicContact CD1-CD2 4.15Å; F349-L358 HydrophobicContact CE1-CD1 4.49Å; F349-L358 HydrophobicContact CE1-CD2 3.88Å; F349-L363 HydrophobicContact CE1-CD2 4.19Å; F349-T366 HydrophobicContact CE2-CG2 3.88Å; F349-T366 HydrophobicContact CZ-CG2 3.98Å |
| 350 | S | 85.8 | Confident | 82.9 | Confident | 45 Ų | 45 | 62 Ų | 62 | 32% | 0.315 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -74.2 | -26.6 | 179 | 55.5 | 0 | 0 | 0 | 0 | 113.1 | Y346 N347 | Y346-S350 VanDerWaalsContact O-CB 3.25Å; Y346-S350 WeakPolarHBondContact O-CB 3.4Å; Y346-S350 PolarHBondContact O-N 3.28Å; Y346-S350 PolarHBondContact O-OG 3.43Å; N347-S350 VanDerWaalsContact CA-OG 3.32Å; N347-S350 WeakPolarHBondContact CA-OG 3.34Å; N347-S350 PolarHBondContact O-OG 3.38Å |
| 351 | R | 84.1 | Confident | 82.7 | Confident | 216 Ų | 216 | 60.2 Ų | 60.2 | 82% | 0.815 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -74.9 | -33.2 | -179.5 | -74.6 | 174.2 | 69 | 161.6 | 3.2 | 114.2 | N347 | N347-R351 WeakPolarHBondContact O-CD 3.48Å; N347-R351 WeakPolarHBondContact O-CG 3.27Å; N347-R351 PolarHBondContact O-N 2.95Å |
| 352 | A | 81.3 | Confident | 82.6 | Confident | 5 Ų | 5 | 60.6 Ų | 60.6 | 4% | 0.041 | 33% | 0.329 | C | S | . | . | trans | -78 | 134.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | L303 R307 E357 L358 | L303-A352 HydrophobicContact CD2-CB 4.44Å; R307-A352 PolarHBondContact NH2-O 2.65Å; A352-E357 HydrophobicContact CB-CB 4.3Å; A352-L358 HydrophobicContact CB-CB 4.05Å; A352-L358 HydrophobicContact CB-CD1 3.65Å | ||
| 353 | K | 76.9 | Confident | 82.4 | Confident | 171 Ų | 171 | 60.8 Ų | 60.8 | 74% | 0.743 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -94.6 | -30.2 | 171.5 | -70.1 | -177.5 | -179.7 | 178.9 | 0 | 112 | E357 | K353-E357 PolarHBondContact N-OE2 2.89Š|
| 354 | V | 75.8 | Confident | 82.4 | Confident | 71 Ų | 71 | 63.2 Ų | 63.2 | 43% | 0.43 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -125 | 152 | -179.9 | -175.3 | 0 | 0 | 0 | 0 | 109.5 | E299 G356 E357 | E299-V354 WeakPolarHBondContact OE2-CG1 3.42Å; V354-G356 PolarHBondContact O-N 2.74Å; V354-E357 HydrophobicContact CB-CG 4.4Å; V354-E357 PolarHBondContact N-OE2 3.21Å; V354-E357 PolarHBondContact O-N 2.66Å; V354-E357 VanDerWaalsContact O-N 3.11Å |
| 355 | L | 73.7 | Confident | 82.4 | Confident | 9 Ų | 9 | 61.6 Ų | 61.6 | 5% | 0.047 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -60.8 | -30.7 | -177.5 | -173.6 | 62.9 | 0 | 0 | 0 | 112.6 | M258 R262 E299 E357 | M258-L355 HydrophobicContact CB-CD1 3.81Å; M258-L355 HydrophobicContact CE-CD1 4.41Å; M258-L355 HydrophobicContact CG-CD1 3.55Å; M258-L355 HydrophobicContact SD-CD1 3.91Å; R262-L355 PolarHBondContact NH2-O 2.72Å; E299-L355 HydrophobicContact CB-CB 4.01Å; E299-L355 HydrophobicContact CG-CB 3.94Å; E299-L355 HydrophobicContact CG-CD2 3.98Å; L355-E357 VanDerWaalsContact C-N 3.32Å; L355-E357 PolarHBondContact O-N 3.43Å |
| 356 | G | 67.3 | Low | 82.5 | Confident | 66 Ų | 66 | 61.6 Ų | 61.6 | 68% | 0.68 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -69.3 | -20.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | V354 L358 | V354-G356 PolarHBondContact O-N 2.74Å; G356-L358 VanDerWaalsContact C-N 3.32Å |
| 357 | E | 75.1 | Confident | 82.5 | Confident | 114 Ų | 114 | 61.6 Ų | 61.6 | 53% | 0.533 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -82.1 | -12.7 | -179.6 | -65.4 | 179.8 | 158.8 | 0 | 0 | 113.2 | A352 K353 V354 L355 P359 | A352-E357 HydrophobicContact CB-CB 4.3Å; K353-E357 PolarHBondContact N-OE2 2.89Å; V354-E357 HydrophobicContact CB-CG 4.4Å; V354-E357 PolarHBondContact N-OE2 3.21Å; V354-E357 PolarHBondContact O-N 2.66Å; V354-E357 VanDerWaalsContact O-N 3.11Å; L355-E357 VanDerWaalsContact C-N 3.32Å; L355-E357 PolarHBondContact O-N 3.43Å; E357-P359 VanDerWaalsContact O-CD 3.31Å; E357-P359 WeakPolarHBondContact O-CD 3.45Å |
| 358 | L | 79.9 | Confident | 82.7 | Confident | 4 Ų | 4 | 61.3 Ų | 61.3 | 2% | 0.021 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -84.1 | 114.9 | -173.5 | -166.5 | 96.4 | 0 | 0 | 0 | 109.9 | R262 G348 F349 A352 G356 V362 L363 | R262-L358 PolarHBondContact NH1-O 2.91Å; R262-L358 PolarHBondContact NH2-O 3.45Å; G348-L358 WeakPolarHBondContact O-CD1 3.47Å; F349-L358 HydrophobicContact CD1-CD1 4Å; F349-L358 HydrophobicContact CD1-CD2 4.15Å; F349-L358 HydrophobicContact CE1-CD1 4.49Å; F349-L358 HydrophobicContact CE1-CD2 3.88Å; A352-L358 HydrophobicContact CB-CB 4.05Å; A352-L358 HydrophobicContact CB-CD1 3.65Å; G356-L358 VanDerWaalsContact C-N 3.32Å; L358-V362 HydrophobicContact CD1-CG1 4.1Å; L358-V362 HydrophobicContact CD2-CG1 4.43Å; L358-V362 HydrophobicContact CG-CB 4.26Å; L358-V362 HydrophobicContact CG-CG1 4.21Å; L358-L363 HydrophobicContact CD2-CD1 4.45Å; L358-L363 HydrophobicContact CD2-CD2 3.42Å; L358-L363 VanDerWaalsContact CD2-CD2 3.42Å; L358-L363 HydrophobicContact CD2-CG 3.74Å |
| 359 | P | 81.4 | Confident | 82.9 | Confident | 68 Ų | 68 | 61.6 Ų | 61.6 | 44% | 0.442 | 34% | 0.338 | S | S | . | . | trans | -61.2 | 146.6 | -178.2 | -20.9 | 31.7 | 0 | 0 | 0 | 112.6 | E357 S361 V362 | E357-P359 VanDerWaalsContact O-CD 3.31Å; E357-P359 WeakPolarHBondContact O-CD 3.45Å; P359-S361 WeakPolarHBondContact CB-OG 3.47Å; P359-S361 PolarHBondContact O-N 3.24Å; P359-S361 VanDerWaalsContact O-N 3.16Å; P359-V362 HydrophobicContact CB-CG2 4.19Å; P359-V362 HydrophobicContact CG-CG2 4.06Å; P359-V362 WeakPolarHBondContact O-CB 3.48Å; P359-V362 PolarHBondContact O-N 3.41Å | ||
| 360 | D | 82.4 | Confident | 83.2 | Confident | 104 Ų | 104 | 61.6 Ų | 61.6 | 56% | 0.556 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -59.6 | -26 | 173.3 | -66.4 | -31.2 | 0 | 0 | 0 | 112 | R262 V362 L363 T364 | R262-D360 IonicContact CZ-OD1 2.65Å; R262-D360 IonicContact NH1-OD1 2.74Å; R262-D360 PolarHBondContact NH1-OD1 2.87Å; D360-V362 VanDerWaalsContact C-N 3.25Å; D360-V362 PolarHBondContact O-N 3.41Å; D360-L363 PolarHBondContact O-N 3.36Å; D360-T364 WeakPolarHBondContact O-CG2 3.3Å; D360-T364 PolarHBondContact O-N 2.94Å; D360-T364 PolarHBondContact O-OG1 3.05Å |
| 361 | S | 84.6 | Confident | 83.4 | Confident | 77 Ų | 77 | 61.4 Ų | 61.4 | 54% | 0.538 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.8 | -29.3 | 173 | 65.4 | 0 | 0 | 0 | 0 | 112.8 | P359 T364 S365 | P359-S361 WeakPolarHBondContact CB-OG 3.47Å; P359-S361 PolarHBondContact O-N 3.24Å; P359-S361 VanDerWaalsContact O-N 3.16Å; S361-T364 WeakPolarHBondContact CA-OG1 3.38Å; S361-T364 PolarHBondContact O-OG1 3.38Å; S361-S365 WeakPolarHBondContact O-CB 3.29Å; S361-S365 PolarHBondContact O-N 2.89Å |
| 362 | V | 86.1 | Confident | 83.6 | Confident | 31 Ų | 31 | 57.3 Ų | 57.3 | 19% | 0.188 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -75.1 | -44.4 | 177.9 | 176.8 | 0 | 0 | 0 | 0 | 110.2 | L358 P359 D360 S365 T366 | L358-V362 HydrophobicContact CD1-CG1 4.1Å; L358-V362 HydrophobicContact CD2-CG1 4.43Å; L358-V362 HydrophobicContact CG-CB 4.26Å; L358-V362 HydrophobicContact CG-CG1 4.21Å; P359-V362 HydrophobicContact CB-CG2 4.19Å; P359-V362 HydrophobicContact CG-CG2 4.06Å; P359-V362 WeakPolarHBondContact O-CB 3.48Å; P359-V362 PolarHBondContact O-N 3.41Å; D360-V362 VanDerWaalsContact C-N 3.25Å; D360-V362 PolarHBondContact O-N 3.41Å; V362-S365 PolarHBondContact O-N 3.04Å; V362-T366 WeakPolarHBondContact O-CB 3.44Å; V362-T366 PolarHBondContact O-N 3.3Å; V362-T366 PolarHBondContact O-OG1 3.49Å |
| 363 | L | 85.1 | Confident | 84.1 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.016 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 177.6 | -64.8 | 175.5 | 0 | 0 | 0 | 111.9 | V255 M258 E259 F349 L358 D360 T366 R367 | V255-L363 HydrophobicContact CG1-CB 4.38Å; V255-L363 HydrophobicContact CG1-CD2 4.06Å; V255-L363 HydrophobicContact CG2-CD2 4.33Å; M258-L363 HydrophobicContact CB-CD2 4.44Å; M258-L363 HydrophobicContact SD-CD2 4.2Å; E259-L363 HydrophobicContact CB-CD1 4.48Å; F349-L363 HydrophobicContact CE1-CD2 4.19Å; L358-L363 HydrophobicContact CD2-CD1 4.45Å; L358-L363 HydrophobicContact CD2-CD2 3.42Å; L358-L363 VanDerWaalsContact CD2-CD2 3.42Å; L358-L363 HydrophobicContact CD2-CG 3.74Å; D360-L363 PolarHBondContact O-N 3.36Å; L363-T366 PolarHBondContact O-N 2.9Å; L363-R367 PolarHBondContact O-N 3.34Å; L363-R367 VanDerWaalsContact O-N 3.14Å |
| 364 | T | 87.2 | Confident | 84.8 | Confident | 75 Ų | 75 | 53.9 Ų | 53.9 | 46% | 0.46 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.6 | -42.6 | 176.7 | 49.5 | 0 | 0 | 0 | 0 | 112.1 | D360 S361 T366 R367 V368 | D360-T364 WeakPolarHBondContact O-CG2 3.3Å; D360-T364 PolarHBondContact O-N 2.94Å; D360-T364 PolarHBondContact O-OG1 3.05Å; S361-T364 WeakPolarHBondContact CA-OG1 3.38Å; S361-T364 PolarHBondContact O-OG1 3.38Å; T364-T366 PolarHBondContact O-N 3.5Å; T364-R367 PolarHBondContact O-N 2.78Å; T364-V368 WeakPolarHBondContact O-CG2 3.33Å; T364-V368 PolarHBondContact O-N 2.97Å; T364-V368 VanDerWaalsContact O-N 3.17Å |
| 365 | S | 89.1 | Confident | 85.5 | Confident | 54 Ų | 54 | 56.2 Ų | 56.2 | 38% | 0.378 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.7 | -44.3 | 173.8 | -177.9 | 0 | 0 | 0 | 0 | 111.9 | S361 V362 R367 V368 Q369 | S361-S365 WeakPolarHBondContact O-CB 3.29Å; S361-S365 PolarHBondContact O-N 2.89Å; V362-S365 PolarHBondContact O-N 3.04Å; S365-R367 PolarHBondContact O-N 3.41Å; S365-V368 PolarHBondContact O-N 3.41Å; S365-Q369 WeakPolarHBondContact O-CB 3.37Å; S365-Q369 VanDerWaalsContact O-CG 3.31Å; S365-Q369 WeakPolarHBondContact O-CG 3.38Å; S365-Q369 PolarHBondContact O-N 3.01Å |
| 366 | T | 89.9 | Confident | 86.3 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.012 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.9 | -45.8 | 176.6 | -67.1 | 0 | 0 | 0 | 0 | 111.2 | V255 M345 F349 V362 L363 T364 V368 Q369 L370 | V255-T366 HydrophobicContact CG2-CG2 4.08Å; M345-T366 HydrophobicContact CG-CG2 4.25Å; M345-T366 HydrophobicContact SD-CG2 3.74Å; F349-T366 HydrophobicContact CE2-CG2 3.88Å; F349-T366 HydrophobicContact CZ-CG2 3.98Å; V362-T366 WeakPolarHBondContact O-CB 3.44Å; V362-T366 PolarHBondContact O-N 3.3Å; V362-T366 PolarHBondContact O-OG1 3.49Å; L363-T366 PolarHBondContact O-N 2.9Å; T364-T366 PolarHBondContact O-N 3.5Å; T366-V368 PolarHBondContact O-N 2.95Å; T366-Q369 PolarHBondContact O-N 3.44Å; T366-L370 HydrophobicContact CG2-CD1 3.78Å; T366-L370 HydrophobicContact CG2-CG 4.24Å; T366-L370 WeakPolarHBondContact O-CB 3.33Å; T366-L370 VanDerWaalsContact O-CG 3.25Å; T366-L370 WeakPolarHBondContact O-CG 3.23Å; T366-L370 PolarHBondContact O-N 3.42Å |
| 367 | R | 88.9 | Confident | 87.4 | Confident | 69 Ų | 69 | 53.5 Ų | 53.5 | 26% | 0.26 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.5 | -45.9 | 176.8 | -75.5 | -167.8 | -173.8 | 105.7 | 1.9 | 113 | V255 D256 E259 L363 T364 S365 Q369 L370 G371 | V255-R367 HydrophobicContact CG1-CG 4.22Å; D256-R367 IonicContact OD1-CZ 2.86Å; D256-R367 IonicContact OD1-NE 2.74Å; D256-R367 PolarHBondContact OD1-NE 2.91Å; D256-R367 IonicContact OD1-NH2 3.84Å; D256-R367 PolarHBondContact OD1-NH2 3.37Å; E259-R367 IonicContact OE2-CZ 2.66Å; E259-R367 IonicContact OE2-NH1 2.72Å; E259-R367 PolarHBondContact OE2-NH1 3.34Å; E259-R367 IonicContact OE2-NH2 3.5Å; E259-R367 PolarHBondContact OE2-NH2 3.48Å; L363-R367 PolarHBondContact O-N 3.34Å; L363-R367 VanDerWaalsContact O-N 3.14Å; T364-R367 PolarHBondContact O-N 2.78Å; S365-R367 PolarHBondContact O-N 3.41Å; R367-Q369 VanDerWaalsContact C-N 3.32Å; R367-Q369 PolarHBondContact O-N 3.39Å; R367-L370 PolarHBondContact O-N 3.43Å; R367-G371 PolarHBondContact O-N 3.31Å |
| 368 | V | 90.7 | Very high | 88.2 | Confident | 85 Ų | 85 | 50.7 Ų | 50.7 | 52% | 0.515 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 179 | 174.6 | 0 | 0 | 0 | 0 | 110.6 | T364 S365 T366 G371 K372 | T364-V368 WeakPolarHBondContact O-CG2 3.33Å; T364-V368 PolarHBondContact O-N 2.97Å; T364-V368 VanDerWaalsContact O-N 3.17Å; S365-V368 PolarHBondContact O-N 3.41Å; T366-V368 PolarHBondContact O-N 2.95Å; V368-G371 PolarHBondContact O-N 2.91Å; V368-K372 HydrophobicContact CG1-CD 4.32Å; V368-K372 WeakPolarHBondContact O-CG 3.5Å; V368-K372 PolarHBondContact O-N 3.37Å |
| 369 | Q | 90.6 | Very high | 88.8 | Confident | 24 Ų | 24 | 53.5 Ų | 53.5 | 11% | 0.112 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.7 | -39.8 | 177.7 | -73.9 | 177.6 | -22.5 | 0 | 0 | 112.4 | M345 S365 T366 R367 K372 M373 | M345-Q369 HydrophobicContact CG-CB 4.32Å; M345-Q369 HydrophobicContact SD-CB 3.96Å; S365-Q369 WeakPolarHBondContact O-CB 3.37Å; S365-Q369 VanDerWaalsContact O-CG 3.31Å; S365-Q369 WeakPolarHBondContact O-CG 3.38Å; S365-Q369 PolarHBondContact O-N 3.01Å; T366-Q369 PolarHBondContact O-N 3.44Å; R367-Q369 VanDerWaalsContact C-N 3.32Å; R367-Q369 PolarHBondContact O-N 3.39Å; Q369-K372 PolarHBondContact O-N 3.26Å; Q369-M373 VanDerWaalsContact O-CB 3.26Å; Q369-M373 WeakPolarHBondContact O-CB 3.17Å; Q369-M373 PolarHBondContact O-N 2.86Å |
| 370 | L | 90.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.2 | -40.4 | 174.7 | -72.4 | 172.6 | 0 | 0 | 0 | 112.3 | I248 L251 N252 L313 M345 T366 R367 M373 K374 | I248-L370 HydrophobicContact CB-CD2 4.28Å; I248-L370 HydrophobicContact CG1-CD2 3.87Å; I248-L370 HydrophobicContact CG2-CB 4.09Å; I248-L370 HydrophobicContact CG2-CD2 4.06Å; L251-L370 HydrophobicContact CB-CD1 4.4Å; L251-L370 HydrophobicContact CD2-CD1 4.03Å; L251-L370 HydrophobicContact CD2-CD2 3.92Å; L251-L370 HydrophobicContact CG-CD1 4.08Å; N252-L370 VanDerWaalsContact OD1-CD1 3.24Å; N252-L370 WeakPolarHBondContact OD1-CD1 3.36Å; L313-L370 HydrophobicContact CD2-CD2 4.01Å; M345-L370 HydrophobicContact CE-CD2 3.8Å; M345-L370 HydrophobicContact CE-CG 4.37Å; M345-L370 HydrophobicContact SD-CD2 3.84Å; M345-L370 HydrophobicContact SD-CG 3.78Å; T366-L370 HydrophobicContact CG2-CD1 3.78Å; T366-L370 HydrophobicContact CG2-CG 4.24Å; T366-L370 WeakPolarHBondContact O-CB 3.33Å; T366-L370 VanDerWaalsContact O-CG 3.25Å; T366-L370 WeakPolarHBondContact O-CG 3.23Å; T366-L370 PolarHBondContact O-N 3.42Å; R367-L370 PolarHBondContact O-N 3.43Å; L370-M373 HydrophobicContact CD2-CE 3.72Å; L370-M373 PolarHBondContact O-N 2.87Å; L370-K374 PolarHBondContact O-N 2.97Å |
| 371 | G | 90.1 | Very high | 89.7 | Confident | 41 Ų | 41 | 46.6 Ų | 46.6 | 42% | 0.423 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.7 | -48.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R367 V368 M373 K374 E375 | R367-G371 PolarHBondContact O-N 3.31Å; V368-G371 PolarHBondContact O-N 2.91Å; G371-M373 VanDerWaalsContact C-N 3.29Å; G371-M373 PolarHBondContact O-N 3.06Å; G371-K374 WeakPolarHBondContact O-CB 3.33Å; G371-K374 PolarHBondContact O-N 3.42Å; G371-E375 PolarHBondContact O-N 3.4Å; G371-E375 VanDerWaalsContact O-N 3.14Å |
| 372 | K | 89.8 | Confident | 90 | Very high | 130 Ų | 130 | 47.3 Ų | 47.3 | 57% | 0.565 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -61.8 | -37.5 | 176 | -72.6 | 177.4 | 179.5 | -176.1 | 0 | 112.6 | V368 Q369 E375 S376 | V368-K372 HydrophobicContact CG1-CD 4.32Å; V368-K372 WeakPolarHBondContact O-CG 3.5Å; V368-K372 PolarHBondContact O-N 3.37Å; Q369-K372 PolarHBondContact O-N 3.26Å; K372-E375 PolarHBondContact O-N 3.44Å; K372-S376 VanDerWaalsContact O-CB 3.26Å; K372-S376 WeakPolarHBondContact O-CB 3.25Å; K372-S376 PolarHBondContact O-N 2.91Å |
| 373 | M | 90.7 | Very high | 90.3 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.015 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.2 | -40.8 | 177.5 | 165 | 140.5 | 76.9 | 0 | 0 | 112 | I248 L313 L338 T342 M345 Q369 L370 G371 S376 L377 | I248-M373 HydrophobicContact CD1-CE 4.06Å; I248-M373 HydrophobicContact CD1-CG 3.69Å; I248-M373 HydrophobicContact CD1-SD 4.49Å; I248-M373 HydrophobicContact CG1-CE 3.87Å; I248-M373 HydrophobicContact CG1-CG 4.46Å; L313-M373 HydrophobicContact CD1-CE 3.86Å; L313-M373 HydrophobicContact CD1-SD 4.3Å; L313-M373 HydrophobicContact CD2-CE 3.34Å; L313-M373 HydrophobicContact CG-CE 3.71Å; L313-M373 HydrophobicContact CG-SD 4.48Å; L338-M373 HydrophobicContact CD1-CB 3.57Å; L338-M373 HydrophobicContact CD1-CG 3.21Å; L338-M373 HydrophobicContact CD1-SD 3.48Å; L338-M373 WeakPolarHBondContact CD1-SD 3.35Å; L338-M373 HydrophobicContact CD2-SD 4.32Å; L338-M373 HydrophobicContact CG-CG 4Å; L338-M373 HydrophobicContact CG-SD 3.58Å; L338-M373 VanDerWaalsContact CG-SD 3.58Å; T342-M373 PolarHBondContact OG1-SD 2.93Å; T342-M373 VanDerWaalsContact OG1-SD 3.41Å; M345-M373 HydrophobicContact CE-CE 3.64Å; Q369-M373 VanDerWaalsContact O-CB 3.26Å; Q369-M373 WeakPolarHBondContact O-CB 3.17Å; Q369-M373 PolarHBondContact O-N 2.86Å; L370-M373 HydrophobicContact CD2-CE 3.72Å; L370-M373 PolarHBondContact O-N 2.87Å; G371-M373 VanDerWaalsContact C-N 3.29Å; G371-M373 PolarHBondContact O-N 3.06Å; M373-S376 PolarHBondContact O-N 2.83Å; M373-L377 HydrophobicContact CG-CD1 4.18Å; M373-L377 WeakPolarHBondContact O-CB 3.34Å; M373-L377 WeakPolarHBondContact O-CG 3.27Å; M373-L377 PolarHBondContact O-N 3.18Å |
| 374 | K | 91.2 | Very high | 90.5 | Very high | 101 Ų | 101 | 47.8 Ų | 47.8 | 44% | 0.439 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -58.7 | -51.8 | 173 | 175.5 | 178.8 | -176 | -179 | 0 | 111.2 | M245 L370 G371 S376 L377 D378 | M245-K374 HydrophobicContact CE-CD 3.72Å; M245-K374 HydrophobicContact CE-CG 3.86Å; M245-K374 HydrophobicContact SD-CB 4.08Å; M245-K374 HydrophobicContact SD-CD 4.23Å; M245-K374 HydrophobicContact SD-CG 3.7Å; L370-K374 PolarHBondContact O-N 2.97Å; G371-K374 WeakPolarHBondContact O-CB 3.33Å; G371-K374 PolarHBondContact O-N 3.42Å; K374-S376 VanDerWaalsContact C-N 3.32Å; K374-S376 PolarHBondContact O-N 2.71Å; K374-L377 PolarHBondContact O-N 2.92Å; K374-D378 PolarHBondContact O-N 3.01Å |
| 375 | E | 91.3 | Very high | 90.6 | Very high | 120 Ų | 120 | 48.3 Ų | 48.3 | 56% | 0.561 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -58.9 | -43.2 | 178.6 | -174 | 178.1 | -170.4 | 0 | 0 | 111.8 | G371 K372 L377 D378 N379 | G371-E375 PolarHBondContact O-N 3.4Å; G371-E375 VanDerWaalsContact O-N 3.14Å; K372-E375 PolarHBondContact O-N 3.44Å; E375-L377 PolarHBondContact O-N 3.44Å; E375-D378 WeakPolarHBondContact O-CB 3.48Å; E375-D378 PolarHBondContact O-N 3.46Å; E375-N379 PolarHBondContact O-N 2.86Å; E375-N379 PolarHBondContact O-ND2 2.75Å; E375-N379 PolarHBondContact O-OD1 3.33Å |
| 376 | S | 90.4 | Very high | 90.6 | Very high | 8 Ų | 8 | 51.6 Ų | 51.6 | 6% | 0.056 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 176.5 | 170.8 | 0 | 0 | 0 | 0 | 113.1 | E334 K372 M373 K374 D378 N379 V380 | E334-S376 WeakPolarHBondContact CG-OG 3.5Å; E334-S376 WeakPolarHBondContact OE1-CA 3.46Å; K372-S376 VanDerWaalsContact O-CB 3.26Å; K372-S376 WeakPolarHBondContact O-CB 3.25Å; K372-S376 PolarHBondContact O-N 2.91Å; M373-S376 PolarHBondContact O-N 2.83Å; K374-S376 VanDerWaalsContact C-N 3.32Å; K374-S376 PolarHBondContact O-N 2.71Å; S376-D378 VanDerWaalsContact C-N 3.31Å; S376-N379 PolarHBondContact O-N 2.9Å; S376-V380 VanDerWaalsContact O-CG2 3.23Å; S376-V380 WeakPolarHBondContact O-CG2 3.19Å; S376-V380 PolarHBondContact O-N 3.37Å |
| 377 | L | 90.9 | Very high | 90.6 | Very high | 11 Ų | 11 | 54.6 Ų | 54.6 | 6% | 0.058 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.4 | -35.8 | 174.8 | -76.4 | 169.3 | 0 | 0 | 0 | 112 | K241 I248 L320 L338 M373 K374 E375 M381 | K241-L377 HydrophobicContact CG-CB 4.29Å; I248-L377 HydrophobicContact CD1-CD1 4.15Å; L320-L377 HydrophobicContact CD1-CD2 3.82Å; L338-L377 HydrophobicContact CD1-CG 4.3Å; L338-L377 HydrophobicContact CD2-CD2 3.65Å; L338-L377 HydrophobicContact CD2-CG 3.98Å; M373-L377 HydrophobicContact CG-CD1 4.18Å; M373-L377 WeakPolarHBondContact O-CB 3.34Å; M373-L377 WeakPolarHBondContact O-CG 3.27Å; M373-L377 PolarHBondContact O-N 3.18Å; K374-L377 PolarHBondContact O-N 2.92Å; E375-L377 PolarHBondContact O-N 3.44Å; L377-M381 WeakPolarHBondContact O-CB 3.35Å; L377-M381 PolarHBondContact O-N 2.92Å |
| 378 | D | 91.8 | Very high | 90.4 | Very high | 54 Ų | 54 | 55.1 Ų | 55.1 | 29% | 0.289 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.5 | -48.3 | 173.5 | -71.3 | -32.6 | 0 | 0 | 0 | 110.8 | K241 K374 E375 S376 V380 M381 D382 | K241-D378 WeakPolarHBondContact CE-OD1 3.44Å; K241-D378 IonicContact NZ-OD1 3.77Å; K241-D378 PolarHBondContact NZ-OD1 3.42Å; K374-D378 PolarHBondContact O-N 3.01Å; E375-D378 WeakPolarHBondContact O-CB 3.48Å; E375-D378 PolarHBondContact O-N 3.46Å; S376-D378 VanDerWaalsContact C-N 3.31Å; D378-V380 PolarHBondContact O-N 3.14Å; D378-M381 PolarHBondContact O-N 3.28Å; D378-M381 VanDerWaalsContact O-N 3.1Å; D378-D382 PolarHBondContact O-N 2.96Å |
| 379 | N | 91.3 | Very high | 90.3 | Very high | 64 Ų | 64 | 51.7 Ų | 51.7 | 34% | 0.342 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59 | -43.7 | 177.7 | -68.3 | -20 | 0 | 0 | 0 | 113.1 | E334 E375 S376 M381 D382 Y383 | E334-N379 WeakPolarHBondContact OE1-CB 3.4Å; E334-N379 PolarHBondContact OE1-ND2 2.75Å; E375-N379 PolarHBondContact O-N 2.86Å; E375-N379 PolarHBondContact O-ND2 2.75Å; E375-N379 PolarHBondContact O-OD1 3.33Å; S376-N379 PolarHBondContact O-N 2.9Å; N379-M381 VanDerWaalsContact C-N 3.31Å; N379-M381 PolarHBondContact O-N 3.45Å; N379-D382 PolarHBondContact O-N 3.35Å; N379-Y383 WeakPolarHBondContact O-CB 3.22Å; N379-Y383 PolarHBondContact O-N 3.14Å |
| 380 | V | 91.5 | Very high | 90.2 | Very high | 7 Ų | 7 | 54.7 Ų | 54.7 | 4% | 0.042 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 176.1 | 170.9 | 0 | 0 | 0 | 0 | 110.4 | L324 I331 E334 S376 D378 Y383 L384 | L324-V380 HydrophobicContact CD1-CG1 3.8Å; L324-V380 HydrophobicContact CD2-CG1 3.71Å; L324-V380 HydrophobicContact CG-CG1 4.43Å; I331-V380 HydrophobicContact CG2-CG1 4.26Å; I331-V380 HydrophobicContact CG2-CG2 4.07Å; E334-V380 HydrophobicContact CG-CG2 4.49Å; S376-V380 VanDerWaalsContact O-CG2 3.23Å; S376-V380 WeakPolarHBondContact O-CG2 3.19Å; S376-V380 PolarHBondContact O-N 3.37Å; D378-V380 PolarHBondContact O-N 3.14Å; V380-Y383 PolarHBondContact O-N 2.91Å; V380-L384 HydrophobicContact CG1-CD1 4.28Å; V380-L384 WeakPolarHBondContact O-CG 3.33Å; V380-L384 PolarHBondContact O-N 3.41Å; V380-L384 VanDerWaalsContact O-N 3.09Å |
| 381 | M | 91.4 | Very high | 90.1 | Very high | 19 Ų | 19 | 59 Ų | 59 | 9% | 0.094 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.9 | -42.5 | 179.7 | -169.4 | 62.6 | -167.6 | 0 | 0 | 111.7 | V234 Q238 K241 L377 D378 N379 Y383 L384 V385 | V234-M381 HydrophobicContact CG1-CE 3.56Å; V234-M381 HydrophobicContact CG1-SD 4.49Å; Q238-M381 HydrophobicContact CB-CE 4.11Å; Q238-M381 HydrophobicContact CB-SD 4.45Å; Q238-M381 HydrophobicContact CG-CE 4.48Å; Q238-M381 PolarHBondContact OE1-SD 2.85Å; Q238-M381 VanDerWaalsContact OE1-SD 3.38Å; K241-M381 HydrophobicContact CD-CB 4.04Å; K241-M381 HydrophobicContact CD-CG 4.29Å; L377-M381 WeakPolarHBondContact O-CB 3.35Å; L377-M381 PolarHBondContact O-N 2.92Å; D378-M381 PolarHBondContact O-N 3.28Å; D378-M381 VanDerWaalsContact O-N 3.1Å; N379-M381 VanDerWaalsContact C-N 3.31Å; N379-M381 PolarHBondContact O-N 3.45Å; M381-Y383 VanDerWaalsContact C-N 3.3Å; M381-Y383 PolarHBondContact O-N 3.5Å; M381-L384 PolarHBondContact O-N 3.03Å; M381-L384 VanDerWaalsContact O-N 3.13Å; M381-V385 HydrophobicContact CE-CG2 3.68Å; M381-V385 HydrophobicContact CG-CG2 4.39Å; M381-V385 WeakPolarHBondContact O-CG2 3.44Å; M381-V385 PolarHBondContact O-N 3.16Å |
| 382 | D | 92.1 | Very high | 90.2 | Very high | 93 Ų | 93 | 57.2 Ų | 57.2 | 50% | 0.497 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.2 | -40.2 | 176.4 | -79.8 | -4.2 | 0 | 0 | 0 | 111.4 | D378 N379 N386 | D378-D382 PolarHBondContact O-N 2.96Å; N379-D382 PolarHBondContact O-N 3.35Å; D382-N386 WeakPolarHBondContact O-CB 3.35Å; D382-N386 PolarHBondContact O-N 2.93Å; D382-N386 PolarHBondContact O-ND2 3.42Å |
| 383 | Y | 91.3 | Very high | 90.2 | Very high | 43 Ų | 43 | 53.8 Ų | 53.8 | 17% | 0.169 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.8 | -47.4 | 173.3 | 177.9 | -90.8 | 0 | 0 | 0 | 111.3 | L327 P328 H330 I331 N379 V380 M381 N386 N387 P389 | L327-Y383 HydrophobicContact CD2-CD1 3.54Å; L327-Y383 HydrophobicContact CD2-CE1 3.47Å; L327-Y383 VanDerWaalsContact CD2-CE1 3.47Å; P328-Y383 WeakPolarHBondContact CD-OH 3.28Å; P328-Y383 HydrophobicContact CG-CE1 4.3Å; P328-Y383 HydrophobicContact CG-CE2 4.23Å; P328-Y383 WeakPolarHBondContact CG-OH 3.08Å; H330-Y383 AromaticContact NE2-CD2 3.98Å; I331-Y383 HydrophobicContact CD1-CD1 4.26Å; I331-Y383 HydrophobicContact CD1-CD2 3.97Å; I331-Y383 HydrophobicContact CD1-CG 3.66Å; I331-Y383 HydrophobicContact CG1-CD1 3.88Å; I331-Y383 HydrophobicContact CG1-CD2 4.04Å; I331-Y383 HydrophobicContact CG1-CE1 4.32Å; I331-Y383 HydrophobicContact CG1-CE2 4.46Å; I331-Y383 HydrophobicContact CG1-CG 3.74Å; N379-Y383 WeakPolarHBondContact O-CB 3.22Å; N379-Y383 PolarHBondContact O-N 3.14Å; V380-Y383 PolarHBondContact O-N 2.91Å; M381-Y383 VanDerWaalsContact C-N 3.3Å; M381-Y383 PolarHBondContact O-N 3.5Å; Y383-N386 PolarHBondContact O-N 2.95Å; Y383-N387 HydrophobicContact CE1-CB 4.1Å; Y383-N387 HydrophobicContact CE2-CB 4.16Å; Y383-N387 VanDerWaalsContact O-CB 3.3Å; Y383-N387 WeakPolarHBondContact O-CB 3.5Å; Y383-N387 PolarHBondContact O-N 3.09Å; Y383-N387 PolarHBondContact O-ND2 3.37Å; Y383-P389 HydrophobicContact CE1-CB 4.47Å; Y383-P389 HydrophobicContact CE1-CG 4.41Å |
| 384 | L | 90.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.6 | -50.2 | -179.4 | -74.3 | 172.3 | 0 | 0 | 0 | 111 | Y230 I237 L324 L327 V380 M381 N386 N387 W392 | Y230-L384 PolarHBondContact OH-O 2.99Å; I237-L384 HydrophobicContact CB-CD1 4.12Å; I237-L384 HydrophobicContact CG1-CD1 4.2Å; I237-L384 HydrophobicContact CG2-CD1 3.7Å; L324-L384 HydrophobicContact CD2-CD1 4.18Å; L327-L384 HydrophobicContact CD2-CD2 3.7Å; L327-L384 HydrophobicContact CD2-CG 4.4Å; V380-L384 HydrophobicContact CG1-CD1 4.28Å; V380-L384 WeakPolarHBondContact O-CG 3.33Å; V380-L384 PolarHBondContact O-N 3.41Å; V380-L384 VanDerWaalsContact O-N 3.09Å; M381-L384 PolarHBondContact O-N 3.03Å; M381-L384 VanDerWaalsContact O-N 3.13Å; L384-N386 PolarHBondContact O-N 3.39Å; L384-N387 PolarHBondContact O-N 3Å; L384-W392 HydrophobicContact CD1-CH2 4.39Å; L384-W392 HydrophobicContact CD2-CD2 4.49Å; L384-W392 HydrophobicContact CD2-CE3 4.17Å; L384-W392 HydrophobicContact CD2-CH2 3.75Å; L384-W392 HydrophobicContact CD2-CZ2 4.13Å; L384-W392 HydrophobicContact CD2-CZ3 3.79Å |
| 385 | V | 89.4 | Confident | 89.7 | Confident | 86 Ų | 86 | 50.1 Ų | 50.1 | 52% | 0.521 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.7 | -37.1 | -178.5 | 173.7 | 0 | 0 | 0 | 0 | 112.2 | M381 | M381-V385 HydrophobicContact CE-CG2 3.68Å; M381-V385 HydrophobicContact CG-CG2 4.39Å; M381-V385 WeakPolarHBondContact O-CG2 3.44Å; M381-V385 PolarHBondContact O-N 3.16Å |
| 386 | N | 89.3 | Confident | 89.2 | Confident | 123 Ų | 123 | 45.6 Ų | 45.6 | 66% | 0.658 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -89.3 | -9.4 | -175.2 | -66.8 | -51.4 | 0 | 0 | 0 | 114.3 | D382 Y383 L384 | D382-N386 WeakPolarHBondContact O-CB 3.35Å; D382-N386 PolarHBondContact O-N 2.93Å; D382-N386 PolarHBondContact O-ND2 3.42Å; Y383-N386 PolarHBondContact O-N 2.95Å; L384-N386 PolarHBondContact O-N 3.39Å |
| 387 | N | 88.3 | Confident | 88.6 | Confident | 66 Ų | 66 | 46.4 Ų | 46.4 | 35% | 0.353 | 26% | 0.256 | S | S | . | . | trans | -136.9 | 143.8 | -173.5 | -61.6 | -90.7 | 0 | 0 | 0 | 112.2 | Y383 L384 P389 | Y383-N387 HydrophobicContact CE1-CB 4.1Å; Y383-N387 HydrophobicContact CE2-CB 4.16Å; Y383-N387 VanDerWaalsContact O-CB 3.3Å; Y383-N387 WeakPolarHBondContact O-CB 3.5Å; Y383-N387 PolarHBondContact O-N 3.09Å; Y383-N387 PolarHBondContact O-ND2 3.37Å; L384-N387 PolarHBondContact O-N 3Å; N387-P389 VanDerWaalsContact C-CD 3.45Å; N387-P389 WeakPolarHBondContact O-CD 3.16Å | ||
| 388 | T | 86.6 | Confident | 88 | Confident | 80 Ų | 80 | 50.8 Ų | 50.8 | 49% | 0.491 | 27% | 0.272 | S | S | . | . | trans | -105.3 | 84 | 170.1 | -52 | 0 | 0 | 0 | 0 | 109.7 | L218 Y230 L390 | L218-T388 HydrophobicContact CD2-CG2 4.05Å; Y230-T388 HydrophobicContact CD2-CG2 4.39Å; T388-L390 PolarHBondContact O-N 3.25Å | ||
| 389 | P | 87.4 | Confident | 86.6 | Confident | 12 Ų | 12 | 51.8 Ų | 51.8 | 8% | 0.078 | 28% | 0.281 | C | S | . | . | trans | -67.9 | 108.6 | -176.3 | 26.8 | -35 | 0 | 0 | 0 | 110.9 | L327 Y383 N387 N391 W392 | L327-P389 HydrophobicContact CD2-CG 4.33Å; L327-P389 HydrophobicContact CG-CG 4.37Å; Y383-P389 HydrophobicContact CE1-CB 4.47Å; Y383-P389 HydrophobicContact CE1-CG 4.41Å; N387-P389 VanDerWaalsContact C-CD 3.45Å; N387-P389 WeakPolarHBondContact O-CD 3.16Å; P389-N391 PolarHBondContact O-N 3.06Å; P389-W392 HydrophobicContact CB-CB 4.01Å; P389-W392 HydrophobicContact CG-CB 3.73Å; P389-W392 HydrophobicContact CG-CD2 4.24Å; P389-W392 HydrophobicContact CG-CE3 3.93Å; P389-W392 HydrophobicContact CG-CG 4.22Å; P389-W392 VanDerWaalsContact O-CB 3.25Å; P389-W392 WeakPolarHBondContact O-CB 3.49Å; P389-W392 PolarHBondContact O-N 3.43Å; P389-W392 VanDerWaalsContact O-N 3.16Å | ||
| 390 | L | 88.1 | Confident | 85 | Confident | 87 Ų | 87 | 53.7 Ų | 53.7 | 46% | 0.455 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -25.2 | -179.2 | -60.3 | -179.9 | 0 | 0 | 0 | 113 | R217 L218 G219 T388 W392 | R217-L390 WeakPolarHBondContact CG-O 3.14Å; L218-L390 PolarHBondContact N-O 3.26Å; G219-L390 PolarHBondContact N-O 2.88Å; T388-L390 PolarHBondContact O-N 3.25Å; L390-W392 VanDerWaalsContact C-N 3.32Å |
| 391 | N | 89.5 | Confident | 83 | Confident | 91 Ų | 91 | 61.7 Ų | 61.7 | 49% | 0.487 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -2.8 | 178.8 | -71.7 | -48 | 0 | 0 | 0 | 114.2 | R217 G326 P389 L393 | R217-N391 WeakPolarHBondContact CD-OD1 3.36Å; R217-N391 PolarHBondContact NH1-OD1 2.83Å; G326-N391 WeakPolarHBondContact CA-O 3.48Å; G326-N391 CarbonylContact O-C 3.56Å; G326-N391 VanDerWaalsContact O-C 3.22Å; G326-N391 WeakPolarHBondContact O-CB 3.35Å; P389-N391 PolarHBondContact O-N 3.06Å; N391-L393 PolarHBondContact O-N 3.24Å |
| 392 | W | 92.7 | Very high | 80.7 | Confident | 3 Ų | 3 | 64.4 Ų | 64.4 | 1% | 0.011 | 34% | 0.344 | C | S | . | . | trans | -67.1 | 128.1 | -179.6 | -175.2 | 23.3 | 0 | 0 | 0 | 111.3 | R217 L218 Y230 A233 V234 I237 G323 L327 L384 P389 L390 V394 | R217-W392 WeakPolarHBondContact CA-O 3.25Å; L218-W392 HydrophobicContact CD1-CB 4.3Å; L218-W392 HydrophobicContact CD1-CD2 4.41Å; L218-W392 HydrophobicContact CD1-CE3 4.09Å; L218-W392 HydrophobicContact CD2-CE3 4.35Å; L218-W392 PolarHBondContact N-O 2.78Å; Y230-W392 HydrophobicContact CD2-CE3 4.22Å; Y230-W392 AromaticContact CD2-CZ3 3.78Å; Y230-W392 HydrophobicContact CD2-CZ3 3.78Å; Y230-W392 HydrophobicContact CE2-CZ3 4.04Å; A233-W392 HydrophobicContact CB-CH2 3.3Å; A233-W392 HydrophobicContact CB-CZ2 3.69Å; A233-W392 HydrophobicContact CB-CZ3 3.75Å; V234-W392 HydrophobicContact CG2-CH2 3.99Å; V234-W392 HydrophobicContact CG2-CZ3 3.98Å; I237-W392 HydrophobicContact CG1-CZ2 4.09Å; G323-W392 PolarHBondContact O-NE1 2.84Å; L327-W392 HydrophobicContact CD1-CD2 4.18Å; L327-W392 HydrophobicContact CD1-CG 3.85Å; L327-W392 HydrophobicContact CG-CG 4.37Å; L384-W392 HydrophobicContact CD1-CH2 4.39Å; L384-W392 HydrophobicContact CD2-CD2 4.49Å; L384-W392 HydrophobicContact CD2-CE3 4.17Å; L384-W392 HydrophobicContact CD2-CH2 3.75Å; L384-W392 HydrophobicContact CD2-CZ2 4.13Å; L384-W392 HydrophobicContact CD2-CZ3 3.79Å; P389-W392 HydrophobicContact CB-CB 4.01Å; P389-W392 HydrophobicContact CG-CB 3.73Å; P389-W392 HydrophobicContact CG-CD2 4.24Å; P389-W392 HydrophobicContact CG-CE3 3.93Å; P389-W392 HydrophobicContact CG-CG 4.22Å; P389-W392 VanDerWaalsContact O-CB 3.25Å; P389-W392 WeakPolarHBondContact O-CB 3.49Å; P389-W392 PolarHBondContact O-N 3.43Å; P389-W392 VanDerWaalsContact O-N 3.16Å; L390-W392 VanDerWaalsContact C-N 3.32Å; W392-V394 HydrophobicContact CD2-CG2 3.72Å; W392-V394 HydrophobicContact CE3-CG2 3.98Å; W392-V394 HydrophobicContact CG-CG2 4.09Å; W392-V394 HydrophobicContact CZ2-CG2 4.32Å; W392-V394 HydrophobicContact CZ3-CG2 4.4Å | ||
| 393 | L | 90 | Very high | 78.1 | Confident | 58 Ų | 58 | 66.9 Ų | 66.9 | 30% | 0.304 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 108.7 | 178.9 | -173.1 | 71.1 | 0 | 0 | 0 | 109.4 | Y215 K325 N391 | Y215-L393 HydrophobicContact CD1-CD2 4.39Å; Y215-L393 HydrophobicContact CD1-CG 4.26Å; Y215-L393 HydrophobicContact CG-CD2 4.36Å; Y215-L393 HydrophobicContact CG-CG 4.37Å; K325-L393 HydrophobicContact CB-CB 4.42Å; K325-L393 HydrophobicContact CB-CD2 4.45Å; K325-L393 VanDerWaalsContact O-CB 3.31Å; K325-L393 WeakPolarHBondContact O-CB 3.42Å; K325-L393 PolarHBondContact O-N 3.4Å; N391-L393 PolarHBondContact O-N 3.24Å |
| 394 | V | 87.8 | Confident | 75.6 | Confident | 8 Ų | 8 | 72.1 Ų | 72.1 | 5% | 0.048 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 144.1 | -177.6 | 170.7 | 0 | 0 | 0 | 0 | 111.4 | Y215 V216 L218 A229 A233 W392 F397 | Y215-V394 WeakPolarHBondContact CA-O 3.33Å; V216-V394 PolarHBondContact N-O 2.99Å; V216-V394 PolarHBondContact O-N 2.7Å; L218-V394 HydrophobicContact CD1-CB 3.8Å; L218-V394 HydrophobicContact CD1-CG2 3.14Å; A229-V394 HydrophobicContact CB-CG1 4.37Å; A233-V394 HydrophobicContact CB-CB 4.26Å; A233-V394 HydrophobicContact CB-CG1 3.64Å; A233-V394 HydrophobicContact CB-CG2 3.52Å; W392-V394 HydrophobicContact CD2-CG2 3.72Å; W392-V394 HydrophobicContact CE3-CG2 3.98Å; W392-V394 HydrophobicContact CG-CG2 4.09Å; W392-V394 HydrophobicContact CZ2-CG2 4.32Å; W392-V394 HydrophobicContact CZ3-CG2 4.4Å; V394-F397 HydrophobicContact CB-CE2 4.35Å; V394-F397 HydrophobicContact CB-CZ 4.48Å; V394-F397 HydrophobicContact CG1-CE2 3.92Å; V394-F397 HydrophobicContact CG1-CZ 3.67Å; V394-F397 WeakPolarHBondContact O-CE2 3.4Å |
| 395 | G | 82.9 | Confident | 72.9 | Confident | 19 Ų | 19 | 79.4 Ų | 79.4 | 20% | 0.196 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 166 | -164.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | R236 | R236-G395 PolarHBondContact NH1-O 2.96Å |
| 396 | P | 79.7 | Confident | 70.4 | Confident | 26 Ų | 26 | 83.9 Ų | 83.9 | 17% | 0.169 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | cis | -67.1 | 141 | -11.6 | 25.4 | -36 | 0 | 0 | 0 | 112.8 | Y398 | P396-Y398 HydrophobicContact CB-CE2 4.34Å; P396-Y398 HydrophobicContact CG-CE2 4.35Å |
| 397 | F | 79.4 | Confident | 67.7 | Low | 25 Ų | 25 | 83.3 Ų | 83.3 | 11% | 0.11 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 152.4 | 165.4 | -62.3 | -75.2 | 0 | 0 | 0 | 110.1 | Y214 V216 A229 V394 | Y214-F397 HydrophobicContact CD1-CB 4.22Å; Y214-F397 WeakPolarHBondContact CD1-O 3.45Å; Y214-F397 HydrophobicContact CD2-CB 3.93Å; Y214-F397 HydrophobicContact CD2-CD2 4.41Å; Y214-F397 HydrophobicContact CE1-CB 3.73Å; Y214-F397 WeakPolarHBondContact CE1-O 3.46Å; Y214-F397 HydrophobicContact CE2-CB 3.42Å; Y214-F397 VanDerWaalsContact CE2-CB 3.42Å; Y214-F397 HydrophobicContact CE2-CD2 4.13Å; Y214-F397 HydrophobicContact CE2-CG 4.08Å; Y214-F397 HydrophobicContact CG-CB 4.3Å; Y214-F397 PolarHBondContact N-O 3.47Å; Y214-F397 PolarHBondContact O-N 3.41Å; V216-F397 HydrophobicContact CB-CE2 4.42Å; V216-F397 HydrophobicContact CG2-CD2 4.21Å; V216-F397 HydrophobicContact CG2-CE2 4.48Å; A229-F397 HydrophobicContact CB-CE1 4.41Å; A229-F397 HydrophobicContact CB-CZ 3.78Å; V394-F397 HydrophobicContact CB-CE2 4.35Å; V394-F397 HydrophobicContact CB-CZ 4.48Å; V394-F397 HydrophobicContact CG1-CE2 3.92Å; V394-F397 HydrophobicContact CG1-CZ 3.67Å; V394-F397 WeakPolarHBondContact O-CE2 3.4Å |
| 398 | Y | 77.3 | Confident | 65.1 | Low | 103 Ų | 103 | 85.9 Ų | 85.9 | 40% | 0.404 | 46% | 0.464 | S | S | . | . | trans | -126 | 128.6 | -178.3 | -59.4 | -76.3 | 0 | 0 | 0 | 109.7 | K211 P396 | K211-Y398 HydrophobicContact CB-CD1 3.78Å; K211-Y398 HydrophobicContact CB-CE1 4.14Å; P396-Y398 HydrophobicContact CB-CE2 4.34Å; P396-Y398 HydrophobicContact CG-CE2 4.35Å | ||
| 399 | P | 62.6 | Low | 62.5 | Low | 74 Ų | 74 | 87 Ų | 87 | 48% | 0.481 | 48% | 0.482 | S | S | . | . | trans | -71.1 | 132.4 | 176 | -9.4 | 24.4 | 0 | 0 | 0 | 109.6 | Y214 | Y214-P399 HydrophobicContact CD1-CG 4Å; Y214-P399 HydrophobicContact CE1-CB 4.45Å; Y214-P399 HydrophobicContact CE1-CG 3.64Å | ||
| 400 | R | 58.2 | Low | 59.9 | Low | 104 Ų | 104 | 91.7 Ų | 91.7 | 39% | 0.392 | 52% | 0.521 | S | S | . | . | trans | -94.6 | 107 | 163.7 | -78.9 | -174.4 | 166.6 | -171.6 | -5.6 | 108.2 | P192 L193 E201 | P192-R400 PolarHBondContact O-NH1 2.97Å; P192-R400 VanDerWaalsContact O-NH1 3.11Å; L193-R400 VanDerWaalsContact CD2-NH2 3.28Å; E201-R400 IonicContact OE2-CZ 3.13Å; E201-R400 IonicContact OE2-NE 2.68Å; E201-R400 IonicContact OE2-NH2 2.68Å; E201-R400 PolarHBondContact OE2-NH2 3.43Å | ||
| 401 | M | 49.2 | Very low | 57.1 | Low | 175 Ų | 175 | 91.2 Ų | 91.2 | 86% | 0.862 | 54% | 0.537 | S | S | * | . | trans | -100.6 | 90.9 | 163.4 | -72.7 | -171.8 | -178.4 | 0 | 0 | 108.3 | ||||
| 402 | S | 43.3 | Very low | 54.3 | Low | 76 Ų | 76 | 92.4 Ų | 92.4 | 53% | 0.531 | 55% | 0.553 | S | S | . | * | trans | -94.2 | 100.5 | 159 | 48.5 | 0 | 0 | 0 | 0 | 108 | H404 | S402-H404 PolarHBondContact O-N 3.41Š| ||
| 403 | I | 37.9 | Very low | 51.2 | Low | 145 Ų | 145 | 100.9 Ų | 100.9 | 74% | 0.744 | 59% | 0.593 | S | S | * | * | trans | -74.4 | 87.7 | 164.8 | -61.5 | 168.3 | 0 | 0 | 0 | 106 | N405 | I403-N405 PolarHBondContact O-N 3.37Š| ||
| 404 | H | 37.8 | Very low | 48.3 | Very low | 154 Ų | 154 | 106 Ų | 106 | 71% | 0.713 | 62% | 0.615 | S | S | * | * | trans | -78.2 | 95.2 | 160.7 | -82.9 | -71 | 0 | 0 | 0 | 107.6 | S402 E406 | S402-H404 PolarHBondContact O-N 3.41Å; H404-E406 PolarHBondContact O-N 3.27Å | ||
| 405 | N | 33.4 | Very low | 45.8 | Very low | 152 Ų | 152 | 110.6 Ų | 110.6 | 81% | 0.813 | 65% | 0.645 | S | S | * | * | trans | -69 | 81.5 | 159.7 | -101.4 | 4.5 | 0 | 0 | 0 | 107.8 | I403 S407 | I403-N405 PolarHBondContact O-N 3.37Å; N405-S407 PolarHBondContact O-N 3.46Å | ||
| 406 | E | 36.9 | Very low | 43.1 | Very low | 180 Ų | 180 | 117.9 Ų | 117.9 | 84% | 0.841 | 67% | 0.674 | S | S | * | * | trans | -92.4 | 80.5 | 161.2 | -78.2 | -170.5 | 166.3 | 0 | 0 | 108.8 | H404 | H404-E406 PolarHBondContact O-N 3.27Š| ||
| 407 | S | 33.3 | Very low | 40.5 | Very low | 112 Ų | 112 | 124.3 Ų | 124.3 | 78% | 0.783 | 71% | 0.707 | S | S | * | * | trans | -147.4 | 120.9 | 156.4 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | N405 | N405-S407 PolarHBondContact O-N 3.46Š| ||
| 408 | S | 33.8 | Very low | 38.1 | Very low | 120 Ų | 120 | 130.6 Ų | 130.6 | 84% | 0.839 | 73% | 0.734 | S | S | * | * | trans | 85.7 | 84.7 | 164.2 | -146.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 409 | A | 30.8 | Very low | 35.7 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | trans | -158.9 | 60.2 | 137.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 410 | A | 32.8 | Very low | 34.1 | Very low | 109 Ų | 109 | 134.8 Ų | 134.8 | 90% | 0.901 | 77% | 0.768 | S | S | * | * | trans | -82.7 | 117.4 | 152.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 411 | G | 30 | Very low | 33 | Very low | 77 Ų | 77 | 135.8 Ų | 135.8 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | 142.6 | 77.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 412 | S | 30.8 | Very low | 31.8 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -163 | 98.8 | 139.4 | 52.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 413 | E | 28 | Very low | 31 | Very low | 180 Ų | 180 | 139.1 Ų | 139.1 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | trans | -52.4 | 150.7 | 151.6 | -60.4 | 171.7 | 154.3 | 0 | 0 | 108.4 | ||||
| 414 | Q | 27.3 | Very low | 30.5 | Very low | 166 Ų | 166 | 140.6 Ų | 140.6 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | cis | -174.1 | -173.5 | 23.5 | -131.2 | 175.5 | -73.3 | 0 | 0 | 105.5 | ||||
| 415 | P | 35.4 | Very low | 30.5 | Very low | 104 Ų | 104 | 138.2 Ų | 138.2 | 68% | 0.675 | 80% | 0.802 | S | S | * | * | cis | -131.1 | 164.3 | -12.9 | 32.1 | -11.6 | 0 | 0 | 0 | 115.5 | ||||
| 416 | E | 26.6 | Very low | 30.1 | Very low | 173 Ų | 173 | 139.3 Ų | 139.3 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | trans | -50.4 | 138 | 162.7 | -61.2 | 177.8 | 136.2 | 0 | 0 | 112.5 | ||||
| 417 | N | 25.4 | Very low | 29.5 | Very low | 160 Ų | 160 | 136.7 Ų | 136.7 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | trans | -142.4 | 135.1 | 134.5 | -151.2 | 2.5 | 0 | 0 | 0 | 111.4 | ||||
| 418 | K | 29.5 | Very low | 29.3 | Very low | 158 Ų | 158 | 140.1 Ų | 140.1 | 69% | 0.687 | 80% | 0.802 | S | S | * | * | trans | -73.7 | 140.5 | -165.6 | -66.9 | 164.8 | 174.7 | 172.5 | 0 | 111.8 | ||||
| 419 | N | 26.6 | Very low | 29.1 | Very low | 160 Ų | 160 | 143.2 Ų | 143.2 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | 178.2 | 105.8 | 117.8 | -91.1 | -2.4 | 0 | 0 | 0 | 110.5 | |||||
| 420 | S | 28 | Very low | 29.5 | Very low | 105 Ų | 105 | 143.6 Ų | 143.6 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -89.8 | 165.5 | 151.1 | -43.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 421 | P | 35.5 | Very low | 29.5 | Very low | 125 Ų | 125 | 145.1 Ų | 145.1 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | -139.9 | 140.1 | 75.1 | 24.6 | -3 | 0 | 0 | 0 | 115.6 | |||||
| 422 | F | 25.6 | Very low | 29.6 | Very low | 188 Ų | 188 | 150.4 Ų | 150.4 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | 15.3 | 132.3 | 135.1 | -90.7 | -95.9 | 0 | 0 | 0 | 119.2 | ||||
| 423 | T | 25.4 | Very low | 29.8 | Very low | 133 Ų | 133 | 151.4 Ų | 151.4 | 82% | 0.816 | 80% | 0.799 | S | S | * | * | 175.3 | 119.1 | 105.8 | -64.5 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 424 | E | 26.6 | Very low | 30 | Very low | 175 Ų | 175 | 151.7 Ų | 151.7 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -84.3 | 166.3 | 152.6 | -101.4 | -175.3 | 173.5 | 0 | 0 | 108.8 | ||||
| 425 | P | 38.3 | Very low | 30.3 | Very low | 105 Ų | 105 | 152.4 Ų | 152.4 | 68% | 0.682 | 81% | 0.806 | S | S | * | * | cis | -141.6 | -174.9 | 10.2 | 27.2 | -1 | 0 | 0 | 0 | 115.4 | ||||
| 426 | Q | 24.8 | Very low | 30.2 | Very low | 174 Ų | 174 | 157 Ų | 157 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | trans | 117.9 | 109.8 | 146.5 | -59.3 | -157.2 | -28.5 | 0 | 0 | 119.3 | ||||
| 427 | T | 25.1 | Very low | 30.4 | Very low | 125 Ų | 125 | 153.6 Ų | 153.6 | 77% | 0.767 | 81% | 0.814 | S | S | * | * | 59.6 | 137.5 | 125.6 | -27.5 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 428 | E | 28.6 | Very low | 30.9 | Very low | 185 Ų | 185 | 154.6 Ų | 154.6 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | trans | 108.3 | 110.9 | 157.1 | -59.9 | -168.3 | 160.9 | 0 | 0 | 118.3 | ||||
| 429 | E | 30.8 | Very low | 31 | Very low | 185 Ų | 185 | 154.7 Ų | 154.7 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | trans | -64.2 | -179.9 | 154.9 | -76.5 | -170.6 | 150.9 | 0 | 0 | 111.8 | ||||
| 430 | P | 39.3 | Very low | 31.3 | Very low | 112 Ų | 112 | 152.8 Ų | 152.8 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | cis | -125.5 | 172.8 | -30.2 | 26.4 | -5.8 | 0 | 0 | 0 | 111.4 | ||||
| 431 | V | 32.8 | Very low | 31.6 | Very low | 140 Ų | 140 | 156.3 Ų | 156.3 | 85% | 0.848 | 83% | 0.825 | S | S | * | * | trans | -119.1 | 112.4 | 173.1 | 176.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 432 | E | 31 | Very low | 31.5 | Very low | 188 Ų | 188 | 159 Ų | 159 | 88% | 0.879 | 83% | 0.827 | S | S | * | * | trans | -72 | 146.6 | 162.1 | -79 | -179.7 | 140.9 | 0 | 0 | 110.9 | ||||
| 433 | V | 34.8 | Very low | 31.9 | Very low | 138 Ų | 138 | 157.1 Ų | 157.1 | 84% | 0.836 | 82% | 0.82 | S | S | * | * | trans | -94.3 | 111.2 | 179 | 177.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 434 | E | 32.3 | Very low | 32.3 | Very low | 187 Ų | 187 | 159.5 Ų | 159.5 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 126.4 | 173.4 | -150.9 | 178 | 171.6 | 0 | 0 | 109.9 | ||
| 435 | M | 33.3 | Very low | 32.8 | Very low | 181 Ų | 181 | 157 Ų | 157 | 89% | 0.892 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 119.4 | 172.8 | -77.1 | -142 | -67.5 | 0 | 0 | 110 | ||
| 436 | E | 34.2 | Very low | 33.7 | Very low | 199 Ų | 199 | 157 Ų | 157 | 93% | 0.93 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 133.8 | 172.8 | -80.3 | -175.3 | 135.5 | 0 | 0 | 112.7 | ||
| 437 | S | 31.8 | Very low | 34.4 | Very low | 102 Ų | 102 | 156.5 Ų | 156.5 | 71% | 0.713 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 147.6 | 172 | 64.4 | 0 | 0 | 0 | 0 | 112.9 | ||
| 438 | L | 34 | Very low | 35.5 | Very low | 181 Ų | 181 | 155.3 Ų | 155.3 | 95% | 0.948 | 82% | 0.816 | S | S | * | * | trans | -130.2 | 125.3 | 156.1 | -86.3 | 170.3 | 0 | 0 | 0 | 111.7 | ||||
| 439 | H | 33.2 | Very low | 36.5 | Very low | 161 Ų | 161 | 153.9 Ų | 153.9 | 75% | 0.745 | 82% | 0.815 | S | S | * | * | trans | -59.7 | 149.3 | 172.3 | -91.7 | 57.9 | 0 | 0 | 0 | 113.8 | ||||
| 440 | S | 32.6 | Very low | 37.2 | Very low | 120 Ų | 120 | 154.5 Ų | 154.5 | 84% | 0.839 | 84% | 0.84 | S | S | * | * | 172.3 | 152.4 | 106.5 | -83.9 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 441 | Q | 33.8 | Very low | 37.1 | Very low | 179 Ų | 179 | 156.7 Ų | 156.7 | 84% | 0.836 | 85% | 0.845 | S | S | * | * | trans | -75.4 | 153.7 | -167.3 | -60.3 | 167.4 | -7.3 | 0 | 0 | 115.6 | ||||
| 442 | Q | 33.7 | Very low | 37.3 | Very low | 182 Ų | 182 | 157.5 Ų | 157.5 | 85% | 0.85 | 85% | 0.845 | S | S | * | * | trans | 178.7 | 148.9 | 130.8 | -106.3 | 167.7 | -0.8 | 0 | 0 | 109.1 | ||||
| 443 | Q | 34.3 | Very low | 37.7 | Very low | 147 Ų | 147 | 155.8 Ų | 155.8 | 69% | 0.687 | 84% | 0.843 | S | S | * | * | cis | 175.2 | 133.5 | -23 | -173.2 | 163.3 | 0.6 | 0 | 0 | 104.8 | ||||
| 444 | F | 32.8 | Very low | 37.9 | Very low | 184 Ų | 184 | 156.9 Ų | 156.9 | 81% | 0.807 | 84% | 0.844 | S | S | * | * | trans | 58.1 | 140.5 | 153.6 | -87.5 | -116.8 | 0 | 0 | 0 | 119.2 | ||||
| 445 | T | 36.7 | Very low | 38.2 | Very low | 121 Ų | 121 | 155 Ų | 155 | 74% | 0.742 | 84% | 0.842 | S | S | * | * | cis | -158.9 | 160.8 | 29.8 | 29.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 446 | P | 58.7 | Low | 38.5 | Very low | 107 Ų | 107 | 153.3 Ų | 153.3 | 70% | 0.695 | 84% | 0.839 | S | S | * | * | trans | -94.7 | 149.8 | 162.8 | 37.2 | -28.1 | 0 | 0 | 0 | 112.1 | ||||
| 447 | D | 38.3 | Very low | 38.9 | Very low | 162 Ų | 162 | 150 Ų | 150 | 87% | 0.866 | 83% | 0.832 | S | S | * | * | 166.7 | 151 | 128.2 | -93.7 | -24 | 0 | 0 | 0 | 113.5 | |||||
| 448 | S | 49.4 | Very low | 39.4 | Very low | 100 Ų | 100 | 153.7 Ų | 153.7 | 70% | 0.699 | 84% | 0.841 | S | S | * | * | trans | -66 | 151.8 | -174.6 | -46.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 449 | D | 48.3 | Very low | 39.8 | Very low | 156 Ų | 156 | 151.4 Ų | 151.4 | 83% | 0.834 | 83% | 0.832 | S | S | * | * | 172.1 | 124.1 | 112 | -101.7 | -11.3 | 0 | 0 | 0 | 112.5 | |||||
| 450 | S | 46.5 | Very low | 40.4 | Very low | 198 Ų | 198 | 150.5 Ų | 150.5 | 100% | 1.385 | 84% | 0.84 | S | S | * | * | 167.6 | 0 | 127.7 | -72.2 | 0 | 0 | 0 | 0 | 111.4 |
Retrieved 450 of 450 residues in 267.6 ms
(Link to these results)