| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.7 | Very low | 71.4 | Confident | 240 Ų | 240 | 108.4 Ų | 108.4 | 100% | 1.182 | 65% | 0.646 | S | S | * | * | 0 | 104.3 | 0 | -75.7 | -169.5 | -102.7 | 0 | 0 | 107.3 | C3 | M1-C3 PolarHBondContact O-N 3.08Š| |||
| 2 | G | 51.4 | Low | 72.8 | Confident | 73 Ų | 73 | 102.8 Ų | 102.8 | 75% | 0.753 | 62% | 0.62 | S | S | * | * | trans | -74.5 | 105.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | T4 | G2-T4 PolarHBondContact O-N 2.84Š| ||
| 3 | C | 56 | Low | 74.1 | Confident | 128 Ų | 128 | 99.9 Ų | 99.9 | 87% | 0.865 | 60% | 0.603 | S | S | * | * | trans | -64.9 | 91.8 | 169.3 | -72.1 | 0 | 0 | 0 | 0 | 107.8 | M1 L5 | M1-C3 PolarHBondContact O-N 3.08Å; C3-L5 PolarHBondContact O-N 3.21Å; C3-L5 VanDerWaalsContact O-N 3.08Å | ||
| 4 | T | 64.2 | Low | 75.2 | Confident | 135 Ų | 135 | 101.4 Ų | 101.4 | 83% | 0.828 | 60% | 0.601 | S | S | * | * | trans | -65.9 | 106.6 | 169.2 | 45.3 | 0 | 0 | 0 | 0 | 107.2 | G2 S6 | G2-T4 PolarHBondContact O-N 2.84Å; T4-S6 PolarHBondContact O-N 3.39Å | ||
| 5 | L | 65.6 | Low | 76.3 | Confident | 98 Ų | 98 | 104.3 Ų | 104.3 | 51% | 0.513 | 60% | 0.597 | S | S | . | * | trans | -46.4 | 133.5 | 170.2 | -75.9 | 156.5 | 0 | 0 | 0 | 109.4 | C3 D9 K10 | C3-L5 PolarHBondContact O-N 3.21Å; C3-L5 VanDerWaalsContact O-N 3.08Å; L5-D9 HydrophobicContact CB-CB 4.15Å; L5-D9 HydrophobicContact CD2-CB 3.6Å; L5-K10 HydrophobicContact CB-CG 3.82Å | ||
| 6 | S | 81.1 | Confident | 77.3 | Confident | 49 Ų | 49 | 101.6 Ų | 101.6 | 34% | 0.343 | 59% | 0.587 | S | S | . | * | trans | -61.5 | 159.1 | 174.1 | 72 | 0 | 0 | 0 | 0 | 109.9 | T4 E8 D9 K10 | T4-S6 PolarHBondContact O-N 3.39Å; S6-E8 PolarHBondContact O-N 3.16Å; S6-D9 WeakPolarHBondContact CB-OD2 3.33Å; S6-D9 PolarHBondContact N-OD2 2.97Å; S6-D9 VanDerWaalsContact N-OD2 3.16Å; S6-D9 PolarHBondContact O-N 3.04Å; S6-D9 VanDerWaalsContact O-N 3.14Å; S6-D9 PolarHBondContact OG-N 2.66Å; S6-D9 PolarHBondContact OG-OD2 2.91Å; S6-K10 PolarHBondContact O-N 3.26Å | ||
| 7 | A | 83 | Confident | 78.1 | Confident | 84 Ų | 84 | 103.9 Ų | 103.9 | 69% | 0.694 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -57.4 | -33.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A11 | A7-A11 WeakPolarHBondContact O-CB 3.38Å; A7-A11 PolarHBondContact O-N 3.14Å |
| 8 | E | 84.5 | Confident | 78.9 | Confident | 156 Ų | 156 | 104.7 Ų | 104.7 | 73% | 0.729 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.8 | -42.9 | 175.2 | -66.7 | -178.6 | 172.2 | 0 | 0 | 112.2 | S6 A11 A12 | S6-E8 PolarHBondContact O-N 3.16Å; E8-A11 PolarHBondContact O-N 2.83Å; E8-A12 WeakPolarHBondContact O-CB 3.38Å; E8-A12 PolarHBondContact O-N 3.03Å |
| 9 | D | 85.8 | Confident | 79.5 | Confident | 79 Ų | 79 | 104.2 Ų | 104.2 | 42% | 0.422 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.7 | -40.8 | 177.1 | -61.4 | -43.6 | 0 | 0 | 0 | 111.6 | L5 S6 A12 V13 | L5-D9 HydrophobicContact CB-CB 4.15Å; L5-D9 HydrophobicContact CD2-CB 3.6Å; S6-D9 WeakPolarHBondContact CB-OD2 3.33Å; S6-D9 PolarHBondContact N-OD2 2.97Å; S6-D9 VanDerWaalsContact N-OD2 3.16Å; S6-D9 PolarHBondContact O-N 3.04Å; S6-D9 VanDerWaalsContact O-N 3.14Å; S6-D9 PolarHBondContact OG-N 2.66Å; S6-D9 PolarHBondContact OG-OD2 2.91Å; D9-A12 PolarHBondContact O-N 3.33Å; D9-V13 WeakPolarHBondContact O-CG2 3.39Å; D9-V13 PolarHBondContact O-N 3.24Å |
| 10 | K | 85.6 | Confident | 80.1 | Confident | 119 Ų | 119 | 103.7 Ų | 103.7 | 52% | 0.517 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61 | -46.4 | 174.5 | -71.4 | -176.1 | -177.4 | 179.5 | 0 | 111 | L5 S6 A12 V13 E14 | L5-K10 HydrophobicContact CB-CG 3.82Å; S6-K10 PolarHBondContact O-N 3.26Å; K10-A12 VanDerWaalsContact C-N 3.3Å; K10-A12 PolarHBondContact O-N 2.97Å; K10-V13 PolarHBondContact O-N 2.91Å; K10-E14 WeakPolarHBondContact O-CG 3.44Å; K10-E14 PolarHBondContact O-N 3.34Å |
| 11 | A | 87.9 | Confident | 80.6 | Confident | 31 Ų | 31 | 106.5 Ų | 106.5 | 26% | 0.256 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.4 | -34.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A7 E8 R15 | A7-A11 WeakPolarHBondContact O-CB 3.38Å; A7-A11 PolarHBondContact O-N 3.14Å; E8-A11 PolarHBondContact O-N 2.83Å; A11-R15 WeakPolarHBondContact O-CB 3.33Å; A11-R15 WeakPolarHBondContact O-CG 3.34Å; A11-R15 PolarHBondContact O-N 3.45Å; A11-R15 PolarHBondContact O-NH1 3.49Å |
| 12 | A | 87.7 | Confident | 82.9 | Confident | 41 Ų | 41 | 99.1 Ų | 99.1 | 34% | 0.339 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.6 | -43.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E8 D9 K10 E14 R15 S16 | E8-A12 WeakPolarHBondContact O-CB 3.38Å; E8-A12 PolarHBondContact O-N 3.03Å; D9-A12 PolarHBondContact O-N 3.33Å; K10-A12 VanDerWaalsContact C-N 3.3Å; K10-A12 PolarHBondContact O-N 2.97Å; A12-E14 VanDerWaalsContact C-N 3.35Å; A12-R15 PolarHBondContact O-N 2.96Å; A12-S16 PolarHBondContact O-N 3.33Å |
| 13 | V | 89.3 | Confident | 84.6 | Confident | 66 Ų | 66 | 101 Ų | 101 | 40% | 0.4 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.1 | -41 | 174.8 | 171 | 0 | 0 | 0 | 0 | 111.2 | D9 K10 S16 K17 | D9-V13 WeakPolarHBondContact O-CG2 3.39Å; D9-V13 PolarHBondContact O-N 3.24Å; K10-V13 PolarHBondContact O-N 2.91Å; V13-S16 PolarHBondContact O-N 3.38Å; V13-K17 HydrophobicContact CG1-CD 4.32Å; V13-K17 WeakPolarHBondContact O-CG 3.3Å; V13-K17 PolarHBondContact O-N 3.14Å |
| 14 | E | 90.2 | Very high | 86 | Confident | 121 Ų | 121 | 103.2 Ų | 103.2 | 57% | 0.565 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.8 | -44.4 | 175.1 | -75.5 | 177.9 | 179.7 | 0 | 0 | 111.9 | K10 A12 S16 K17 M18 | K10-E14 WeakPolarHBondContact O-CG 3.44Å; K10-E14 PolarHBondContact O-N 3.34Å; A12-E14 VanDerWaalsContact C-N 3.35Å; E14-S16 PolarHBondContact O-N 2.96Å; E14-K17 PolarHBondContact O-N 2.88Å; E14-M18 WeakPolarHBondContact O-CG 3.44Å; E14-M18 PolarHBondContact O-N 3.48Å |
| 15 | R | 91.1 | Very high | 86.9 | Confident | 144 Ų | 144 | 100.9 Ų | 100.9 | 54% | 0.543 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.9 | -44.6 | 174 | -75.6 | -173 | -60.7 | -90.5 | 3 | 112.3 | A11 A12 K17 M18 I19 | A11-R15 WeakPolarHBondContact O-CB 3.33Å; A11-R15 WeakPolarHBondContact O-CG 3.34Å; A11-R15 PolarHBondContact O-N 3.45Å; A11-R15 PolarHBondContact O-NH1 3.49Å; A12-R15 PolarHBondContact O-N 2.96Å; R15-K17 PolarHBondContact O-N 3.43Å; R15-M18 PolarHBondContact O-N 2.91Å; R15-I19 VanDerWaalsContact O-CG1 3.3Å; R15-I19 WeakPolarHBondContact O-CG1 3.5Å; R15-I19 PolarHBondContact O-N 3.24Å |
| 16 | S | 92.1 | Very high | 87.8 | Confident | 62 Ų | 62 | 100.9 Ų | 100.9 | 43% | 0.434 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.2 | -46.6 | 177.7 | -167.5 | 0 | 0 | 0 | 0 | 111.4 | A12 V13 E14 M18 I19 D20 | A12-S16 PolarHBondContact O-N 3.33Å; V13-S16 PolarHBondContact O-N 3.38Å; E14-S16 PolarHBondContact O-N 2.96Å; S16-M18 VanDerWaalsContact C-N 3.3Å; S16-M18 PolarHBondContact O-N 3.42Å; S16-I19 PolarHBondContact O-N 3.35Å; S16-I19 VanDerWaalsContact O-N 3.14Å; S16-D20 VanDerWaalsContact O-CG 3.29Å; S16-D20 PolarHBondContact O-N 3.02Å |
| 17 | K | 92.3 | Very high | 87.7 | Confident | 140 Ų | 140 | 100.5 Ų | 100.5 | 61% | 0.609 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62 | -37.1 | 176.7 | -73.2 | 177.2 | 179.1 | -179.3 | 0 | 112.6 | V13 E14 R15 R21 | V13-K17 HydrophobicContact CG1-CD 4.32Å; V13-K17 WeakPolarHBondContact O-CG 3.3Å; V13-K17 PolarHBondContact O-N 3.14Å; E14-K17 PolarHBondContact O-N 2.88Å; R15-K17 PolarHBondContact O-N 3.43Å; K17-R21 VanDerWaalsContact O-CB 3.29Å; K17-R21 WeakPolarHBondContact O-CB 3.31Å; K17-R21 PolarHBondContact O-N 3.32Å |
| 18 | M | 91.4 | Very high | 87.6 | Confident | 119 Ų | 119 | 101.3 Ų | 101.3 | 59% | 0.586 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.3 | -40.8 | 174.2 | -71.7 | -179.2 | -172.6 | 0 | 0 | 111.5 | E14 R15 S16 R21 N22 | E14-M18 WeakPolarHBondContact O-CG 3.44Å; E14-M18 PolarHBondContact O-N 3.48Å; R15-M18 PolarHBondContact O-N 2.91Å; S16-M18 VanDerWaalsContact C-N 3.3Å; S16-M18 PolarHBondContact O-N 3.42Å; M18-R21 PolarHBondContact O-N 3.3Å; M18-N22 WeakPolarHBondContact O-CB 3.37Å; M18-N22 PolarHBondContact O-N 2.91Å; M18-N22 PolarHBondContact O-OD1 3.15Å |
| 19 | I | 90.7 | Very high | 87.4 | Confident | 95 Ų | 95 | 100.3 Ų | 100.3 | 49% | 0.487 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.1 | -49.3 | 175.4 | -67.8 | 163.4 | 0 | 0 | 0 | 110.4 | R15 S16 R21 N22 L23 | R15-I19 VanDerWaalsContact O-CG1 3.3Å; R15-I19 WeakPolarHBondContact O-CG1 3.5Å; R15-I19 PolarHBondContact O-N 3.24Å; S16-I19 PolarHBondContact O-N 3.35Å; S16-I19 VanDerWaalsContact O-N 3.14Å; I19-R21 VanDerWaalsContact C-N 3.26Å; I19-R21 PolarHBondContact O-N 3.09Å; I19-N22 PolarHBondContact O-N 2.76Å; I19-N22 VanDerWaalsContact O-N 3.15Å; I19-L23 HydrophobicContact CG2-CD1 3.84Å; I19-L23 HydrophobicContact CG2-CG 4.2Å; I19-L23 WeakPolarHBondContact O-CB 3.29Å; I19-L23 VanDerWaalsContact O-CG 3.31Å; I19-L23 WeakPolarHBondContact O-CG 3.43Å; I19-L23 PolarHBondContact O-N 3.44Å |
| 20 | D | 90.9 | Very high | 87 | Confident | 94 Ų | 94 | 99.7 Ų | 99.7 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.7 | -39.5 | 179.4 | -65.6 | -31.1 | 0 | 0 | 0 | 111.7 | S16 R24 | S16-D20 VanDerWaalsContact O-CG 3.29Å; S16-D20 PolarHBondContact O-N 3.02Å; D20-R24 WeakPolarHBondContact O-CB 3.48Å; D20-R24 PolarHBondContact O-N 3.02Å; D20-R24 VanDerWaalsContact O-N 3.09Å |
| 21 | R | 90.6 | Very high | 86.8 | Confident | 163 Ų | 163 | 97.5 Ų | 97.5 | 62% | 0.615 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.5 | -48 | 174.6 | -179 | -179.5 | 167.9 | -170.2 | -8.2 | 111.7 | K17 M18 I19 L23 R24 E25 | K17-R21 VanDerWaalsContact O-CB 3.29Å; K17-R21 WeakPolarHBondContact O-CB 3.31Å; K17-R21 PolarHBondContact O-N 3.32Å; M18-R21 PolarHBondContact O-N 3.3Å; I19-R21 VanDerWaalsContact C-N 3.26Å; I19-R21 PolarHBondContact O-N 3.09Å; R21-L23 PolarHBondContact O-N 2.84Å; R21-R24 PolarHBondContact O-N 2.97Å; R21-E25 IonicContact CZ-OE1 3.56Å; R21-E25 VanDerWaalsContact CZ-OE1 3.32Å; R21-E25 IonicContact NE-OE1 2.75Å; R21-E25 PolarHBondContact NE-OE1 3.25Å; R21-E25 IonicContact NH2-OE1 2.68Å; R21-E25 PolarHBondContact NH2-OE1 3.48Å; R21-E25 WeakPolarHBondContact O-CG 3.37Å; R21-E25 PolarHBondContact O-N 3.44Å |
| 22 | N | 89.8 | Confident | 86.8 | Confident | 85 Ų | 85 | 101.6 Ų | 101.6 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 178.9 | -69.3 | -5.3 | 0 | 0 | 0 | 111.3 | M18 I19 R24 E25 D26 | M18-N22 WeakPolarHBondContact O-CB 3.37Å; M18-N22 PolarHBondContact O-N 2.91Å; M18-N22 PolarHBondContact O-OD1 3.15Å; I19-N22 PolarHBondContact O-N 2.76Å; I19-N22 VanDerWaalsContact O-N 3.15Å; N22-R24 VanDerWaalsContact C-N 3.28Å; N22-R24 PolarHBondContact O-N 2.93Å; N22-E25 PolarHBondContact O-N 2.94Å; N22-D26 VanDerWaalsContact O-CB 3.31Å; N22-D26 WeakPolarHBondContact O-CB 3.47Å; N22-D26 VanDerWaalsContact O-CG 3.24Å; N22-D26 PolarHBondContact O-N 3.24Å |
| 23 | L | 87.2 | Confident | 87 | Confident | 111 Ų | 111 | 102.5 Ų | 102.5 | 58% | 0.581 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.8 | -38.3 | 176.5 | -72.6 | 173.8 | 0 | 0 | 0 | 112.2 | I19 R21 G27 | I19-L23 HydrophobicContact CG2-CD1 3.84Å; I19-L23 HydrophobicContact CG2-CG 4.2Å; I19-L23 WeakPolarHBondContact O-CB 3.29Å; I19-L23 VanDerWaalsContact O-CG 3.31Å; I19-L23 WeakPolarHBondContact O-CG 3.43Å; I19-L23 PolarHBondContact O-N 3.44Å; R21-L23 PolarHBondContact O-N 2.84Å; L23-G27 PolarHBondContact O-N 3.24Å |
| 24 | R | 84.5 | Confident | 87.2 | Confident | 176 Ų | 176 | 99.4 Ų | 99.4 | 66% | 0.664 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -68.7 | -46.3 | 174.9 | -178.3 | 179.8 | 170 | 168.6 | 1.5 | 111.9 | D20 R21 N22 D26 G27 E28 | D20-R24 WeakPolarHBondContact O-CB 3.48Å; D20-R24 PolarHBondContact O-N 3.02Å; D20-R24 VanDerWaalsContact O-N 3.09Å; R21-R24 PolarHBondContact O-N 2.97Å; N22-R24 VanDerWaalsContact C-N 3.28Å; N22-R24 PolarHBondContact O-N 2.93Å; R24-D26 VanDerWaalsContact C-N 3.31Å; R24-D26 PolarHBondContact O-N 3.49Å; R24-G27 PolarHBondContact O-N 2.91Å; R24-E28 IonicContact CZ-OE1 3.32Å; R24-E28 IonicContact NE-OE1 2.97Å; R24-E28 PolarHBondContact NE-OE1 3.36Å; R24-E28 IonicContact NH2-OE1 2.76Å; R24-E28 PolarHBondContact NH2-OE1 2.93Å; R24-E28 WeakPolarHBondContact O-CG 3.26Å; R24-E28 PolarHBondContact O-N 2.8Å |
| 25 | E | 83.8 | Confident | 87.5 | Confident | 85 Ų | 85 | 95.3 Ų | 95.3 | 40% | 0.397 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.1 | -41.1 | 177 | -71.9 | 177.8 | -175.3 | 0 | 0 | 111.1 | R21 N22 E28 K29 | R21-E25 IonicContact CZ-OE1 3.56Å; R21-E25 VanDerWaalsContact CZ-OE1 3.32Å; R21-E25 IonicContact NE-OE1 2.75Å; R21-E25 PolarHBondContact NE-OE1 3.25Å; R21-E25 IonicContact NH2-OE1 2.68Å; R21-E25 PolarHBondContact NH2-OE1 3.48Å; R21-E25 WeakPolarHBondContact O-CG 3.37Å; R21-E25 PolarHBondContact O-N 3.44Å; N22-E25 PolarHBondContact O-N 2.94Å; E25-E28 PolarHBondContact O-N 3.43Å; E25-K29 WeakPolarHBondContact O-CB 3.31Å; E25-K29 PolarHBondContact O-N 2.9Å |
| 26 | D | 83.5 | Confident | 87.8 | Confident | 99 Ų | 99 | 88.5 Ų | 88.5 | 53% | 0.529 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.1 | -41.1 | 174.7 | -73.9 | -21.4 | 0 | 0 | 0 | 111.7 | N22 R24 K29 A30 | N22-D26 VanDerWaalsContact O-CB 3.31Å; N22-D26 WeakPolarHBondContact O-CB 3.47Å; N22-D26 VanDerWaalsContact O-CG 3.24Å; N22-D26 PolarHBondContact O-N 3.24Å; R24-D26 VanDerWaalsContact C-N 3.31Å; R24-D26 PolarHBondContact O-N 3.49Å; D26-K29 PolarHBondContact O-N 3.49Å; D26-A30 VanDerWaalsContact O-CB 3.26Å; D26-A30 WeakPolarHBondContact O-CB 3.41Å; D26-A30 PolarHBondContact O-N 3.39Å |
| 27 | G | 80.8 | Confident | 88.1 | Confident | 40 Ų | 40 | 85.5 Ų | 85.5 | 41% | 0.412 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L23 R24 K29 A30 A31 | L23-G27 PolarHBondContact O-N 3.24Å; R24-G27 PolarHBondContact O-N 2.91Å; G27-K29 VanDerWaalsContact C-N 3.34Å; G27-A30 PolarHBondContact O-N 2.97Å; G27-A31 WeakPolarHBondContact O-CB 3.41Å; G27-A31 PolarHBondContact O-N 3.42Å |
| 28 | E | 79.7 | Confident | 88.3 | Confident | 101 Ų | 101 | 78.9 Ų | 78.9 | 47% | 0.472 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.5 | -37.3 | 176 | -72.6 | 176.4 | -168 | 0 | 0 | 111.7 | R24 E25 K32 | R24-E28 IonicContact CZ-OE1 3.32Å; R24-E28 IonicContact NE-OE1 2.97Å; R24-E28 PolarHBondContact NE-OE1 3.36Å; R24-E28 IonicContact NH2-OE1 2.76Å; R24-E28 PolarHBondContact NH2-OE1 2.93Å; R24-E28 WeakPolarHBondContact O-CG 3.26Å; R24-E28 PolarHBondContact O-N 2.8Å; E25-E28 PolarHBondContact O-N 3.43Å; E28-K32 PolarHBondContact O-N 2.83Å |
| 29 | K | 79.7 | Confident | 88.7 | Confident | 135 Ų | 135 | 73.2 Ų | 73.2 | 59% | 0.587 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -68.8 | -44.9 | 174.8 | -172.8 | 179.2 | 179 | -177.5 | 0 | 111.8 | E25 D26 G27 A31 K32 E33 | E25-K29 WeakPolarHBondContact O-CB 3.31Å; E25-K29 PolarHBondContact O-N 2.9Å; D26-K29 PolarHBondContact O-N 3.49Å; G27-K29 VanDerWaalsContact C-N 3.34Å; K29-A31 VanDerWaalsContact C-N 3.29Å; K29-A31 PolarHBondContact O-N 2.81Å; K29-K32 PolarHBondContact O-N 2.83Å; K29-K32 VanDerWaalsContact O-N 3.1Å; K29-E33 PolarHBondContact O-N 3.12Å; K29-E33 VanDerWaalsContact O-N 3.12Å |
| 30 | A | 77.9 | Confident | 89 | Confident | 66 Ų | 66 | 68.7 Ų | 68.7 | 55% | 0.545 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.7 | -37.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D26 G27 K32 E33 | D26-A30 VanDerWaalsContact O-CB 3.26Å; D26-A30 WeakPolarHBondContact O-CB 3.41Å; D26-A30 PolarHBondContact O-N 3.39Å; G27-A30 PolarHBondContact O-N 2.97Å; A30-K32 PolarHBondContact O-N 3.42Å; A30-E33 PolarHBondContact O-N 3.1Å |
| 31 | A | 80.6 | Confident | 89.3 | Confident | 74 Ų | 74 | 64.8 Ų | 64.8 | 61% | 0.612 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -64.9 | -21.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | G27 K29 | G27-A31 WeakPolarHBondContact O-CB 3.41Å; G27-A31 PolarHBondContact O-N 3.42Å; K29-A31 VanDerWaalsContact C-N 3.29Å; K29-A31 PolarHBondContact O-N 2.81Å |
| 32 | K | 88 | Confident | 89.5 | Confident | 116 Ų | 116 | 57.7 Ų | 57.7 | 50% | 0.504 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -3.8 | 177 | -66.3 | -177.8 | 177.6 | -171.1 | 0 | 113.3 | E28 K29 A30 L194 Y195 | E28-K32 PolarHBondContact O-N 2.83Å; K29-K32 PolarHBondContact O-N 2.83Å; K29-K32 VanDerWaalsContact O-N 3.1Å; A30-K32 PolarHBondContact O-N 3.42Å; K32-L194 HydrophobicContact CB-CD2 4.44Å; K32-L194 WeakPolarHBondContact O-CA 2.96Å; K32-Y195 PolarHBondContact O-N 2.62Å |
| 33 | E | 92.7 | Very high | 89.8 | Confident | 61 Ų | 61 | 56 Ų | 56 | 29% | 0.285 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 129.1 | 179.4 | -176.1 | 168.3 | 110.7 | 0 | 0 | 110.4 | K29 A30 Y195 K197 | K29-E33 PolarHBondContact O-N 3.12Å; K29-E33 VanDerWaalsContact O-N 3.12Å; A30-E33 PolarHBondContact O-N 3.1Å; E33-Y195 CarbonylContact C-O 3.59Å; E33-Y195 WeakPolarHBondContact CA-O 3.41Å; E33-Y195 HydrophobicContact CG-CD1 4.13Å; E33-K197 HydrophobicContact CG-CD 4.3Å; E33-K197 WeakPolarHBondContact OE1-CE 3.19Å; E33-K197 IonicContact OE1-NZ 3.63Å; E33-K197 PolarHBondContact OE1-NZ 2.86Å; E33-K197 WeakPolarHBondContact OE2-CE 3.49Å; E33-K197 IonicContact OE2-NZ 3.92Å; E33-K197 PolarHBondContact OE2-NZ 3.25Å |
| 34 | V | 94.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 115.5 | 178.6 | 177.9 | 0 | 0 | 0 | 0 | 109.2 | L36 L194 Y195 F196 K197 T219 I343 | V34-L36 HydrophobicContact CG1-CD2 3.93Å; V34-L36 HydrophobicContact CG1-CG 4.08Å; V34-L194 HydrophobicContact CG2-CB 4.3Å; V34-L194 HydrophobicContact CG2-CD1 4.04Å; V34-L194 HydrophobicContact CG2-CD2 4.3Å; V34-L194 HydrophobicContact CG2-CG 4.46Å; V34-Y195 PolarHBondContact N-O 3.27Å; V34-F196 HydrophobicContact CB-CD1 3.77Å; V34-F196 HydrophobicContact CB-CE1 3.85Å; V34-F196 HydrophobicContact CB-CG 4.41Å; V34-F196 HydrophobicContact CG1-CD1 3.71Å; V34-F196 HydrophobicContact CG1-CE1 3.58Å; V34-F196 HydrophobicContact CG2-CE1 4.35Å; V34-F196 CarbonylContact O-C 3.58Å; V34-F196 WeakPolarHBondContact O-CA 3.31Å; V34-K197 PolarHBondContact O-N 3.4Å; V34-T219 HydrophobicContact CG1-CG2 3.99Å; V34-I343 HydrophobicContact CG1-CD1 4.34Å; V34-I343 HydrophobicContact CG1-CG2 4.05Å; V34-I343 HydrophobicContact CG2-CG2 4.16Å |
| 35 | K | 95.5 | Very high | 90.9 | Very high | 36 Ų | 36 | 43 Ų | 43 | 16% | 0.157 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 109.8 | 173.5 | -179.4 | 168.6 | -179.8 | -178 | 0 | 110 | K197 F199 C214 E216 G217 V218 T219 A220 | K35-K197 WeakPolarHBondContact CA-O 3.32Å; K35-F199 HydrophobicContact CD-CD2 4.31Å; K35-F199 HydrophobicContact CD-CE2 3.88Å; K35-F199 HydrophobicContact CG-CD2 3.87Å; K35-F199 HydrophobicContact CG-CE2 3.7Å; K35-C214 VanDerWaalsContact CE-O 3.29Å; K35-C214 WeakPolarHBondContact CE-O 3.39Å; K35-C214 PolarHBondContact NZ-O 2.73Å; K35-E216 PolarHBondContact NZ-O 3.01Å; K35-G217 WeakPolarHBondContact CB-O 2.97Å; K35-G217 WeakPolarHBondContact CD-O 3.17Å; K35-V218 HydrophobicContact CD-CG2 4.34Å; K35-T219 PolarHBondContact N-OG1 3.17Å; K35-T219 WeakPolarHBondContact O-CB 3.27Å; K35-T219 PolarHBondContact O-N 3.49Å; K35-A220 PolarHBondContact O-N 3.47Å |
| 36 | L | 97 | Very high | 91.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 128.2 | 174.3 | -66.5 | -177.1 | 0 | 0 | 0 | 110.7 | V34 F196 K197 M198 F199 A220 I222 F336 I343 | V34-L36 HydrophobicContact CG1-CD2 3.93Å; V34-L36 HydrophobicContact CG1-CG 4.08Å; L36-F196 HydrophobicContact CD1-CD1 3.47Å; L36-F196 VanDerWaalsContact CD1-CD1 3.47Å; L36-F196 HydrophobicContact CD1-CE1 3.8Å; L36-F196 HydrophobicContact CG-CD1 3.82Å; L36-F196 HydrophobicContact CG-CE1 4.23Å; L36-K197 PolarHBondContact N-O 3.29Å; L36-M198 HydrophobicContact CB-CB 4.47Å; L36-M198 HydrophobicContact CB-CG 4.45Å; L36-M198 HydrophobicContact CD1-CE 3.72Å; L36-M198 CarbonylContact O-C 3.59Å; L36-M198 WeakPolarHBondContact O-CA 3.28Å; L36-F199 PolarHBondContact O-N 2.84Å; L36-A220 WeakPolarHBondContact CA-O 3.34Å; L36-A220 HydrophobicContact CD2-CB 3.82Å; L36-I222 HydrophobicContact CD1-CD1 4.28Å; L36-F336 HydrophobicContact CD1-CE2 3.72Å; L36-F336 HydrophobicContact CD1-CZ 3.71Å; L36-I343 HydrophobicContact CD2-CD1 3.76Å |
| 37 | L | 98 | Very high | 92.2 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 117 | 175 | -176.8 | 59.2 | 0 | 0 | 0 | 110.3 | L39 F199 V201 C214 F215 V218 A220 I221 I222 F259 | L37-L39 HydrophobicContact CD1-CD2 4.21Å; L37-L39 HydrophobicContact CD2-CD1 4Å; L37-L39 HydrophobicContact CD2-CD2 4.1Å; L37-L39 HydrophobicContact CD2-CG 4.14Å; L37-L39 HydrophobicContact CG-CD1 4.28Å; L37-L39 HydrophobicContact CG-CD2 3.9Å; L37-L39 HydrophobicContact CG-CG 3.89Å; L37-F199 HydrophobicContact CD1-CB 3.79Å; L37-V201 HydrophobicContact CD1-CG1 4.37Å; L37-C214 HydrophobicContact CD1-CB 3.63Å; L37-C214 HydrophobicContact CD2-CB 4.33Å; L37-F215 HydrophobicContact CD2-CD1 3.79Å; L37-F215 HydrophobicContact CD2-CE1 3.94Å; L37-V218 HydrophobicContact CB-CG1 3.82Å; L37-V218 HydrophobicContact CB-CG2 4.15Å; L37-V218 HydrophobicContact CD2-CG2 4Å; L37-A220 PolarHBondContact N-O 3.26Å; L37-I221 HydrophobicContact CB-CG1 4.44Å; L37-I221 WeakPolarHBondContact O-CA 3.28Å; L37-I222 PolarHBondContact O-N 3.21Å; L37-F259 HydrophobicContact CD2-CE1 4.48Å; L37-F259 HydrophobicContact CD2-CZ 4.07Å |
| 38 | L | 98.2 | Very high | 93 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 116.2 | 175.7 | -57.3 | -171.8 | 0 | 0 | 0 | 110.1 | K46 I49 V50 M198 F199 D200 V201 I222 | L38-K46 HydrophobicContact CB-CB 4.16Å; L38-K46 HydrophobicContact CB-CD 4.06Å; L38-K46 HydrophobicContact CB-CG 4.15Å; L38-K46 HydrophobicContact CD1-CB 4.17Å; L38-K46 WeakPolarHBondContact CD1-O 3.38Å; L38-K46 WeakPolarHBondContact O-CD 3.25Å; L38-I49 HydrophobicContact CD1-CB 4.47Å; L38-V50 HydrophobicContact CD1-CG2 3.49Å; L38-V50 VanDerWaalsContact CD1-CG2 3.49Å; L38-M198 HydrophobicContact CD1-CG 4.06Å; L38-M198 HydrophobicContact CD1-SD 3.8Å; L38-M198 HydrophobicContact CD2-CE 4.42Å; L38-M198 HydrophobicContact CD2-CG 4.35Å; L38-M198 HydrophobicContact CD2-SD 4.25Å; L38-M198 HydrophobicContact CG-CG 3.95Å; L38-M198 HydrophobicContact CG-SD 4.17Å; L38-F199 PolarHBondContact N-O 2.89Å; L38-D200 HydrophobicContact CD1-CB 4.3Å; L38-V201 WeakPolarHBondContact O-CG2 3.42Å; L38-I222 WeakPolarHBondContact CA-O 3.16Å; L38-I222 HydrophobicContact CD2-CB 3.63Å; L38-I222 HydrophobicContact CD2-CD1 3.88Å; L38-I222 HydrophobicContact CD2-CG1 4.23Å; L38-I222 HydrophobicContact CD2-CG2 4.06Å |
| 39 | L | 98.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 162.4 | 178.9 | -61.9 | -179.7 | 0 | 0 | 0 | 111.7 | L37 V201 W211 F215 I221 I222 F223 C224 I253 F259 | L37-L39 HydrophobicContact CD1-CD2 4.21Å; L37-L39 HydrophobicContact CD2-CD1 4Å; L37-L39 HydrophobicContact CD2-CD2 4.1Å; L37-L39 HydrophobicContact CD2-CG 4.14Å; L37-L39 HydrophobicContact CG-CD1 4.28Å; L37-L39 HydrophobicContact CG-CD2 3.9Å; L37-L39 HydrophobicContact CG-CG 3.89Å; L39-V201 HydrophobicContact CD2-CG2 3.67Å; L39-W211 HydrophobicContact CB-CH2 4.34Å; L39-W211 HydrophobicContact CB-CZ3 4.36Å; L39-W211 HydrophobicContact CD2-CD2 3.83Å; L39-W211 HydrophobicContact CD2-CE3 3.78Å; L39-W211 HydrophobicContact CD2-CG 4.27Å; L39-W211 HydrophobicContact CD2-CH2 4.24Å; L39-W211 HydrophobicContact CD2-CZ2 4.36Å; L39-W211 HydrophobicContact CD2-CZ3 3.99Å; L39-F215 HydrophobicContact CD1-CE1 4.47Å; L39-I221 HydrophobicContact CB-CG2 4.32Å; L39-I221 HydrophobicContact CD1-CD1 4.34Å; L39-I221 HydrophobicContact CD1-CG2 3.99Å; L39-I221 HydrophobicContact CG-CG2 4.23Å; L39-I222 PolarHBondContact N-O 3.32Å; L39-F223 HydrophobicContact CB-CD2 3.83Å; L39-F223 HydrophobicContact CB-CE2 4.3Å; L39-F223 CarbonylContact O-C 3.59Å; L39-F223 WeakPolarHBondContact O-CA 3.37Å; L39-C224 PolarHBondContact O-N 2.96Å; L39-I253 HydrophobicContact CD1-CD1 3.79Å; L39-I253 HydrophobicContact CD1-CG1 4.05Å; L39-I253 HydrophobicContact CD1-CG2 3.78Å; L39-F259 HydrophobicContact CD1-CE2 4.38Å |
| 40 | G | 98 | Very high | 94.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | 137 | 168.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K46 G203 | G40-K46 PolarHBondContact O-NZ 3.04Å; G40-G203 WeakPolarHBondContact O-CA 3.49Å | ||
| 41 | A | 97.1 | Very high | 95.6 | Very high | 12 Ų | 12 | 23 Ų | 23 | 10% | 0.099 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -60 | 166.1 | -178 | 0 | 0 | 0 | 0 | 0 | 112.5 | E43 S44 K46 L249 | A41-E43 PolarHBondContact O-N 3.04Å; A41-S44 PolarHBondContact O-N 2.85Å; A41-S44 PolarHBondContact O-OG 2.87Å; A41-S44 VanDerWaalsContact O-OG 3.09Å; A41-K46 PolarHBondContact O-NZ 3.35Å; A41-L249 HydrophobicContact CB-CD2 4.39Å |
| 42 | G | 94.9 | Very high | 96.4 | Very high | 15 Ų | 15 | 19.5 Ų | 19.5 | 16% | 0.155 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | 144 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | S44 G203 | G42-S44 PolarHBondContact O-N 2.83Å; G42-S44 VanDerWaalsContact O-N 3.13Å; G42-G203 VanDerWaalsContact N-C 3.34Å; G42-G203 PolarHBondContact N-O 2.94Å |
| 43 | E | 95.2 | Very high | 96.8 | Very high | 50 Ų | 50 | 14 Ų | 14 | 23% | 0.234 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | 9.4 | 173.6 | -36.7 | -164.4 | 139.7 | 0 | 0 | 115.8 | A41 G45 R178 R242 K270 | A41-E43 PolarHBondContact O-N 3.04Å; E43-G45 PolarHBondContact O-N 3.36Å; E43-R178 IonicContact OE1-CZ 2.58Å; E43-R178 VanDerWaalsContact OE1-CZ 3.28Å; E43-R178 IonicContact OE1-NE 3.24Å; E43-R178 PolarHBondContact OE1-NE 3.17Å; E43-R178 IonicContact OE1-NH2 2.74Å; E43-R178 PolarHBondContact OE1-NH2 3.09Å; E43-R242 IonicContact OE2-CZ 3.45Å; E43-R242 IonicContact OE2-NH1 3.69Å; E43-R242 PolarHBondContact OE2-NH1 3.4Å; E43-R242 IonicContact OE2-NH2 3.32Å; E43-R242 PolarHBondContact OE2-NH2 3.16Å; E43-R242 VanDerWaalsContact OE2-NH2 3.15Å; E43-K270 WeakPolarHBondContact O-CE 3.44Å; E43-K270 PolarHBondContact O-NZ 2.71Å |
| 44 | S | 97.7 | Very high | 97 | Very high | 2 Ų | 2 | 13.1 Ų | 13.1 | 1% | 0.014 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -72.5 | -10.8 | 177.5 | 66.9 | 0 | 0 | 0 | 0 | 115.1 | A41 G42 C224 N269 | A41-S44 PolarHBondContact O-N 2.85Å; A41-S44 PolarHBondContact O-OG 2.87Å; A41-S44 VanDerWaalsContact O-OG 3.09Å; G42-S44 PolarHBondContact O-N 2.83Å; G42-S44 VanDerWaalsContact O-N 3.13Å; S44-C224 WeakPolarHBondContact CB-O 3.26Å; S44-C224 WeakPolarHBondContact OG-CB 3.46Å; S44-C224 PolarHBondContact OG-O 3.18Å; S44-C224 VanDerWaalsContact OG-O 3.06Å; S44-N269 PolarHBondContact O-ND2 3.38Å |
| 45 | G | 97.2 | Very high | 97 | Very high | 11 Ų | 11 | 14.5 Ų | 14.5 | 11% | 0.113 | 8% | 0.082 | C | C | . | . | S | Bend | trans | 105.8 | 7.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | E43 S47 T48 I49 | E43-G45 PolarHBondContact O-N 3.36Å; G45-S47 PolarHBondContact O-N 3.17Å; G45-T48 WeakPolarHBondContact O-CA 3.47Å; G45-T48 WeakPolarHBondContact O-CB 3.38Å; G45-T48 PolarHBondContact O-N 3Å; G45-I49 PolarHBondContact O-N 3.33Å |
| 46 | K | 97.8 | Very high | 97 | Very high | 10 Ų | 10 | 14.3 Ų | 14.3 | 4% | 0.043 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -50.9 | -56.4 | 178.5 | -62.4 | -177.2 | -64.7 | -66.5 | 0 | 113.6 | L38 G40 A41 T48 I49 V50 D200 V201 C224 | L38-K46 HydrophobicContact CB-CB 4.16Å; L38-K46 HydrophobicContact CB-CD 4.06Å; L38-K46 HydrophobicContact CB-CG 4.15Å; L38-K46 HydrophobicContact CD1-CB 4.17Å; L38-K46 WeakPolarHBondContact CD1-O 3.38Å; L38-K46 WeakPolarHBondContact O-CD 3.25Å; G40-K46 PolarHBondContact O-NZ 3.04Å; A41-K46 PolarHBondContact O-NZ 3.35Å; K46-T48 PolarHBondContact O-N 3.36Å; K46-I49 WeakPolarHBondContact O-CA 3.37Å; K46-I49 WeakPolarHBondContact O-CB 3.32Å; K46-I49 PolarHBondContact O-N 3.48Å; K46-V50 PolarHBondContact O-N 2.7Å; K46-V50 VanDerWaalsContact O-N 3.08Å; K46-D200 VanDerWaalsContact CB-OD1 3.24Å; K46-D200 WeakPolarHBondContact CB-OD1 3.39Å; K46-V201 WeakPolarHBondContact CE-O 3.48Å; K46-C224 HydrophobicContact CG-CB 3.98Å |
| 47 | S | 97.6 | Very high | 96.9 | Very high | 34 Ų | 34 | 16.5 Ų | 16.5 | 24% | 0.238 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.8 | -25.3 | -179.9 | -45.4 | 0 | 0 | 0 | 0 | 112.6 | G45 V50 K51 T181 D200 | G45-S47 PolarHBondContact O-N 3.17Å; S47-V50 PolarHBondContact O-N 2.94Å; S47-K51 VanDerWaalsContact O-CG 3.24Å; S47-K51 WeakPolarHBondContact O-CG 3.5Å; S47-K51 PolarHBondContact O-N 2.86Å; S47-T181 PolarHBondContact OG-OG1 2.78Å; S47-D200 WeakPolarHBondContact CA-OD2 3.43Å; S47-D200 VanDerWaalsContact CB-OD2 3.29Å; S47-D200 WeakPolarHBondContact CB-OD2 3.5Å; S47-D200 PolarHBondContact OG-OD2 2.84Å |
| 48 | T | 97.8 | Very high | 96.6 | Very high | 23 Ų | 23 | 20.3 Ų | 20.3 | 14% | 0.141 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -70.3 | -38.2 | 172.2 | -51.2 | 0 | 0 | 0 | 0 | 111.1 | G45 K46 K51 Q52 L175 A326 T327 | G45-T48 WeakPolarHBondContact O-CA 3.47Å; G45-T48 WeakPolarHBondContact O-CB 3.38Å; G45-T48 PolarHBondContact O-N 3Å; K46-T48 PolarHBondContact O-N 3.36Å; T48-K51 PolarHBondContact O-N 3.25Å; T48-Q52 VanDerWaalsContact O-CG 3.32Å; T48-Q52 WeakPolarHBondContact O-CG 3.29Å; T48-Q52 PolarHBondContact O-N 3.43Å; T48-L175 HydrophobicContact CG2-CB 4.41Å; T48-L175 HydrophobicContact CG2-CD2 3.94Å; T48-A326 HydrophobicContact CG2-CB 3.68Å; T48-A326 WeakPolarHBondContact CG2-O 3.24Å; T48-T327 HydrophobicContact CG2-CG2 4.06Å |
| 49 | I | 97.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.5 | -43.9 | 171.8 | -61.6 | -61.1 | 0 | 0 | 0 | 111 | L38 G45 K46 K51 Q52 M53 F267 A326 V332 | L38-I49 HydrophobicContact CD1-CB 4.47Å; G45-I49 PolarHBondContact O-N 3.33Å; K46-I49 WeakPolarHBondContact O-CA 3.37Å; K46-I49 WeakPolarHBondContact O-CB 3.32Å; K46-I49 PolarHBondContact O-N 3.48Å; I49-K51 VanDerWaalsContact C-N 3.34Å; I49-K51 PolarHBondContact O-N 3.07Å; I49-Q52 WeakPolarHBondContact O-CB 3.49Å; I49-Q52 PolarHBondContact O-N 3.05Å; I49-Q52 VanDerWaalsContact O-N 3.11Å; I49-M53 PolarHBondContact O-N 3.17Å; I49-F267 HydrophobicContact CD1-CD2 4.2Å; I49-F267 HydrophobicContact CD1-CE2 4.11Å; I49-F267 HydrophobicContact CG1-CD2 4.32Å; I49-F267 HydrophobicContact CG1-CE2 4.38Å; I49-A326 HydrophobicContact CD1-CB 3.66Å; I49-A326 HydrophobicContact CG1-CB 4.24Å; I49-V332 HydrophobicContact CD1-CG1 4.22Å; I49-V332 HydrophobicContact CD1-CG2 4Å |
| 50 | V | 97.2 | Very high | 96.1 | Very high | 15 Ų | 15 | 28.8 Ų | 28.8 | 9% | 0.091 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58 | -47.5 | 174.2 | -179 | 0 | 0 | 0 | 0 | 111.2 | L38 K46 S47 Q52 M53 K54 T187 M198 D200 | L38-V50 HydrophobicContact CD1-CG2 3.49Å; L38-V50 VanDerWaalsContact CD1-CG2 3.49Å; K46-V50 PolarHBondContact O-N 2.7Å; K46-V50 VanDerWaalsContact O-N 3.08Å; S47-V50 PolarHBondContact O-N 2.94Å; V50-Q52 PolarHBondContact O-N 3.44Å; V50-M53 WeakPolarHBondContact O-CB 3.44Å; V50-M53 PolarHBondContact O-N 3.25Å; V50-K54 PolarHBondContact O-N 3.17Å; V50-T187 HydrophobicContact CG1-CG2 4.01Å; V50-T187 WeakPolarHBondContact CG1-OG1 3.34Å; V50-M198 HydrophobicContact CG2-CG 4.41Å; V50-M198 HydrophobicContact CG2-SD 3.92Å; V50-D200 HydrophobicContact CG2-CB 3.62Å |
| 51 | K | 97.1 | Very high | 96 | Very high | 24 Ų | 24 | 29.9 Ų | 29.9 | 10% | 0.104 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.1 | -35.1 | 177.8 | -70.1 | 170.2 | 177.8 | 179.2 | 0 | 111.9 | S47 T48 I49 K54 I55 Y61 V174 L175 T177 | S47-K51 VanDerWaalsContact O-CG 3.24Å; S47-K51 WeakPolarHBondContact O-CG 3.5Å; S47-K51 PolarHBondContact O-N 2.86Å; T48-K51 PolarHBondContact O-N 3.25Å; I49-K51 VanDerWaalsContact C-N 3.34Å; I49-K51 PolarHBondContact O-N 3.07Å; K51-K54 PolarHBondContact O-N 3.29Å; K51-I55 WeakPolarHBondContact O-CG1 3.25Å; K51-I55 PolarHBondContact O-N 3.17Å; K51-Y61 VanDerWaalsContact CA-OH 3.24Å; K51-Y61 WeakPolarHBondContact CA-OH 3.36Å; K51-Y61 HydrophobicContact CB-CE2 4.43Å; K51-Y61 VanDerWaalsContact CB-OH 3.26Å; K51-Y61 WeakPolarHBondContact CB-OH 3.32Å; K51-Y61 VanDerWaalsContact CG-OH 3.26Å; K51-Y61 WeakPolarHBondContact CG-OH 3.29Å; K51-V174 HydrophobicContact CD-CG1 4.43Å; K51-V174 PolarHBondContact NZ-O 2.89Å; K51-L175 HydrophobicContact CB-CD2 3.76Å; K51-T177 PolarHBondContact NZ-O 2.74Å; K51-T177 VanDerWaalsContact NZ-O 3.16Å; K51-T177 PolarHBondContact NZ-OG1 2.63Å |
| 52 | Q | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.2 | -34.1 | 175.6 | -70.7 | -77.9 | 24.6 | 0 | 0 | 112.6 | T48 I49 V50 K54 I55 I56 L175 A326 T329 V332 | T48-Q52 VanDerWaalsContact O-CG 3.32Å; T48-Q52 WeakPolarHBondContact O-CG 3.29Å; T48-Q52 PolarHBondContact O-N 3.43Å; I49-Q52 WeakPolarHBondContact O-CB 3.49Å; I49-Q52 PolarHBondContact O-N 3.05Å; I49-Q52 VanDerWaalsContact O-N 3.11Å; V50-Q52 PolarHBondContact O-N 3.44Å; Q52-K54 PolarHBondContact O-N 3.46Å; Q52-I55 PolarHBondContact O-N 2.93Å; Q52-I56 HydrophobicContact CB-CD1 4.12Å; Q52-I56 WeakPolarHBondContact O-CB 3.01Å; Q52-I56 VanDerWaalsContact O-CG1 3.23Å; Q52-I56 WeakPolarHBondContact O-CG1 3.45Å; Q52-I56 PolarHBondContact O-N 3.06Å; Q52-L175 HydrophobicContact CG-CD2 3.76Å; Q52-A326 VanDerWaalsContact CG-O 3.24Å; Q52-A326 WeakPolarHBondContact CG-O 3.17Å; Q52-A326 PolarHBondContact NE2-O 3.2Å; Q52-T329 PolarHBondContact NE2-OG1 3.49Å; Q52-T329 PolarHBondContact OE1-OG1 2.74Å; Q52-V332 HydrophobicContact CB-CB 4.38Å; Q52-V332 HydrophobicContact CB-CG1 3.77Å; Q52-V332 HydrophobicContact CG-CB 4.33Å; Q52-V332 HydrophobicContact CG-CG1 4.19Å; Q52-V332 HydrophobicContact CG-CG2 4.14Å |
| 53 | M | 96.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.9 | -40.1 | 175.3 | -61.9 | -59.1 | 91.7 | 0 | 0 | 111.2 | I49 V50 I56 H57 F189 M198 V332 F336 | I49-M53 PolarHBondContact O-N 3.17Å; V50-M53 WeakPolarHBondContact O-CB 3.44Å; V50-M53 PolarHBondContact O-N 3.25Å; M53-I56 HydrophobicContact CE-CD1 4.12Å; M53-I56 PolarHBondContact O-N 3.02Å; M53-H57 WeakPolarHBondContact O-CA 3.47Å; M53-H57 WeakPolarHBondContact O-CB 3.48Å; M53-H57 PolarHBondContact O-N 3.34Å; M53-F189 HydrophobicContact CB-CD1 3.85Å; M53-F189 HydrophobicContact CB-CE1 3.74Å; M53-F189 HydrophobicContact CB-CG 4.35Å; M53-F189 HydrophobicContact CB-CZ 4.16Å; M53-F189 HydrophobicContact CG-CD1 4.24Å; M53-F189 HydrophobicContact CG-CE1 3.6Å; M53-F189 HydrophobicContact CG-CE2 4.45Å; M53-F189 HydrophobicContact CG-CZ 3.72Å; M53-F189 HydrophobicContact SD-CE1 4.06Å; M53-F189 HydrophobicContact SD-CE2 3.89Å; M53-F189 HydrophobicContact SD-CZ 3.51Å; M53-F189 VanDerWaalsContact SD-CZ 3.51Å; M53-M198 HydrophobicContact CG-CE 3.64Å; M53-M198 HydrophobicContact CG-SD 3.8Å; M53-M198 HydrophobicContact SD-CE 3.99Å; M53-V332 HydrophobicContact CE-CG1 3.8Å; M53-F336 HydrophobicContact CE-CB 4.31Å; M53-F336 HydrophobicContact CE-CD1 4.45Å; M53-F336 HydrophobicContact CE-CD2 4Å; M53-F336 HydrophobicContact CE-CG 3.98Å; M53-F336 HydrophobicContact SD-CD1 4.03Å; M53-F336 HydrophobicContact SD-CD2 3.76Å; M53-F336 HydrophobicContact SD-CE1 3.96Å; M53-F336 HydrophobicContact SD-CE2 3.68Å; M53-F336 HydrophobicContact SD-CG 3.95Å; M53-F336 HydrophobicContact SD-CZ 3.79Å |
| 54 | K | 95.4 | Very high | 96.2 | Very high | 42 Ų | 42 | 39.3 Ų | 39.3 | 18% | 0.183 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.5 | -43.1 | 171.9 | 178.4 | 161.4 | -179.5 | 164.1 | 0 | 112.8 | V50 K51 Q52 E58 G60 Y61 E65 | V50-K54 PolarHBondContact O-N 3.17Å; K51-K54 PolarHBondContact O-N 3.29Å; Q52-K54 PolarHBondContact O-N 3.46Å; K54-E58 HydrophobicContact CG-CB 4.23Å; K54-E58 CarbonylContact O-C 3.53Å; K54-E58 VanDerWaalsContact O-C 3.25Å; K54-E58 VanDerWaalsContact O-CA 3.32Å; K54-E58 WeakPolarHBondContact O-CA 3.16Å; K54-E58 WeakPolarHBondContact O-CB 3.46Å; K54-E58 PolarHBondContact O-N 2.84Å; K54-G60 WeakPolarHBondContact CE-O 3.42Å; K54-G60 WeakPolarHBondContact O-CA 3.32Å; K54-G60 PolarHBondContact O-N 2.89Å; K54-Y61 HydrophobicContact CB-CE2 4.49Å; K54-Y61 HydrophobicContact CD-CD1 4.23Å; K54-Y61 HydrophobicContact CD-CE1 3.77Å; K54-Y61 HydrophobicContact CD-CE2 4.33Å; K54-Y61 HydrophobicContact CG-CE2 4.33Å; K54-E65 IonicContact NZ-OE1 2.58Å; K54-E65 PolarHBondContact NZ-OE1 3.37Å; K54-E65 IonicContact NZ-OE2 2.75Å |
| 55 | I | 96 | Very high | 96.2 | Very high | 29 Ų | 29 | 41.9 Ų | 41.9 | 15% | 0.149 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.2 | -41.8 | 178 | -63.8 | 175.6 | 0 | 0 | 0 | 112.5 | K51 Q52 Y61 Q171 L175 T329 | K51-I55 WeakPolarHBondContact O-CG1 3.25Å; K51-I55 PolarHBondContact O-N 3.17Å; Q52-I55 PolarHBondContact O-N 2.93Å; I55-Y61 HydrophobicContact CD1-CD2 4.22Å; I55-Y61 HydrophobicContact CD1-CE2 4.01Å; I55-Y61 HydrophobicContact CG1-CD2 3.88Å; I55-Y61 HydrophobicContact CG1-CE2 3.73Å; I55-Q171 HydrophobicContact CD1-CB 4.16Å; I55-Q171 VanDerWaalsContact CG1-OE1 3.28Å; I55-L175 HydrophobicContact CD1-CD1 3.81Å; I55-L175 HydrophobicContact CD1-CD2 3.86Å; I55-L175 HydrophobicContact CD1-CG 3.83Å; I55-T329 HydrophobicContact CG2-CG2 4Å |
| 56 | I | 95.5 | Very high | 96.2 | Very high | 33 Ų | 33 | 41.7 Ų | 41.7 | 17% | 0.169 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -84.9 | -32 | -171.9 | -61.9 | 164.9 | 0 | 0 | 0 | 111.1 | Q52 M53 T329 V332 Q333 | Q52-I56 HydrophobicContact CB-CD1 4.12Å; Q52-I56 WeakPolarHBondContact O-CB 3.01Å; Q52-I56 VanDerWaalsContact O-CG1 3.23Å; Q52-I56 WeakPolarHBondContact O-CG1 3.45Å; Q52-I56 PolarHBondContact O-N 3.06Å; M53-I56 HydrophobicContact CE-CD1 4.12Å; M53-I56 PolarHBondContact O-N 3.02Å; I56-T329 HydrophobicContact CD1-CG2 4.21Å; I56-T329 HydrophobicContact CG1-CG2 3.74Å; I56-V332 HydrophobicContact CD1-CB 4.19Å; I56-V332 HydrophobicContact CD1-CG1 3.88Å; I56-Q333 HydrophobicContact CD1-CB 3.98Å; I56-Q333 HydrophobicContact CG1-CB 4.47Å; I56-Q333 HydrophobicContact CG2-CB 4.26Å; I56-Q333 HydrophobicContact CG2-CG 3.9Å |
| 57 | H | 93.7 | Very high | 96.1 | Very high | 45 Ų | 45 | 45 Ų | 45 | 21% | 0.208 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -123.9 | -8.2 | -169.1 | -55.4 | -59 | 0 | 0 | 0 | 115.4 | M53 F189 F191 F336 | M53-H57 WeakPolarHBondContact O-CA 3.47Å; M53-H57 WeakPolarHBondContact O-CB 3.48Å; M53-H57 PolarHBondContact O-N 3.34Å; H57-F189 HydrophobicContact CB-CB 4.16Å; H57-F189 HydrophobicContact CB-CD2 4.19Å; H57-F189 HydrophobicContact CB-CG 4.47Å; H57-F189 AromaticContact CD2-CD2 3.69Å; H57-F189 AromaticContact CD2-CE2 3.87Å; H57-F191 AromaticContact CE1-CD2 3.25Å; H57-F191 WeakPolarHBondContact CE1-CD2 3.23Å; H57-F191 AromaticContact CE1-CE2 3.66Å; H57-F191 AromaticContact CE1-CG 3.55Å; H57-F191 AromaticContact ND1-CD2 3.66Å; H57-F336 AromaticContact NE2-CD1 3.89Å |
| 58 | E | 91.4 | Very high | 96 | Very high | 81 Ų | 81 | 50.2 Ų | 50.2 | 38% | 0.379 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -134.2 | 41.1 | -177.7 | -54.7 | -169.6 | 134.8 | 0 | 0 | 113.1 | K54 G60 F189 | K54-E58 HydrophobicContact CG-CB 4.23Å; K54-E58 CarbonylContact O-C 3.53Å; K54-E58 VanDerWaalsContact O-C 3.25Å; K54-E58 VanDerWaalsContact O-CA 3.32Å; K54-E58 WeakPolarHBondContact O-CA 3.16Å; K54-E58 WeakPolarHBondContact O-CB 3.46Å; K54-E58 PolarHBondContact O-N 2.84Å; E58-G60 PolarHBondContact O-N 2.77Å; E58-F189 HydrophobicContact CG-CB 4.3Å |
| 59 | D | 92.4 | Very high | 96 | Very high | 172 Ų | 172 | 51.7 Ų | 51.7 | 92% | 0.92 | 26% | 0.256 | S | S | * | . | trans | 60.2 | 3.3 | 178.6 | -57.5 | -46.5 | 0 | 0 | 0 | 116 | ||||
| 60 | G | 94.8 | Very high | 95.9 | Very high | 6 Ų | 6 | 53.8 Ų | 53.8 | 6% | 0.062 | 27% | 0.265 | C | S | . | . | trans | 75.2 | -151.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | K54 E58 | K54-G60 WeakPolarHBondContact CE-O 3.42Å; K54-G60 WeakPolarHBondContact O-CA 3.32Å; K54-G60 PolarHBondContact O-N 2.89Å; E58-G60 PolarHBondContact O-N 2.77Å | ||
| 61 | Y | 96.5 | Very high | 95.9 | Very high | 23 Ų | 23 | 56 Ų | 56 | 9% | 0.09 | 28% | 0.279 | C | S | . | . | trans | -98.8 | 124.7 | -177.1 | -63.8 | -93.1 | 0 | 0 | 0 | 109.5 | K51 K54 I55 E65 C66 Y69 Q171 V174 | K51-Y61 VanDerWaalsContact CA-OH 3.24Å; K51-Y61 WeakPolarHBondContact CA-OH 3.36Å; K51-Y61 HydrophobicContact CB-CE2 4.43Å; K51-Y61 VanDerWaalsContact CB-OH 3.26Å; K51-Y61 WeakPolarHBondContact CB-OH 3.32Å; K51-Y61 VanDerWaalsContact CG-OH 3.26Å; K51-Y61 WeakPolarHBondContact CG-OH 3.29Å; K54-Y61 HydrophobicContact CB-CE2 4.49Å; K54-Y61 HydrophobicContact CD-CD1 4.23Å; K54-Y61 HydrophobicContact CD-CE1 3.77Å; K54-Y61 HydrophobicContact CD-CE2 4.33Å; K54-Y61 HydrophobicContact CG-CE2 4.33Å; I55-Y61 HydrophobicContact CD1-CD2 4.22Å; I55-Y61 HydrophobicContact CD1-CE2 4.01Å; I55-Y61 HydrophobicContact CG1-CD2 3.88Å; I55-Y61 HydrophobicContact CG1-CE2 3.73Å; Y61-E65 HydrophobicContact CD1-CB 4.26Å; Y61-C66 VanDerWaalsContact CB-SG 3.59Å; Y61-Y69 HydrophobicContact CD1-CE2 4.09Å; Y61-Y69 AromaticContact CE1-CE2 3.97Å; Y61-Y69 HydrophobicContact CE1-CE2 3.97Å; Y61-Q171 HydrophobicContact CD2-CG 4.42Å; Y61-V174 HydrophobicContact CD1-CG1 4.23Å; Y61-V174 HydrophobicContact CD2-CG1 4.15Å; Y61-V174 HydrophobicContact CE1-CG1 4.01Å; Y61-V174 HydrophobicContact CE2-CG1 3.95Å; Y61-V174 HydrophobicContact CG-CG1 4.31Å | ||
| 62 | S | 96.8 | Very high | 95.9 | Very high | 58 Ų | 58 | 56.4 Ų | 56.4 | 41% | 0.406 | 28% | 0.283 | S | S | . | . | trans | -62.4 | 162.3 | 169.1 | 63.7 | 0 | 0 | 0 | 0 | 111.1 | D64 E65 C66 | S62-D64 PolarHBondContact O-N 2.87Å; S62-E65 WeakPolarHBondContact CB-OE2 3.48Å; S62-E65 PolarHBondContact N-OE2 3.42Å; S62-E65 PolarHBondContact O-N 2.89Å; S62-E65 VanDerWaalsContact OG-CG 3.23Å; S62-E65 WeakPolarHBondContact OG-CG 3.47Å; S62-E65 PolarHBondContact OG-N 2.94Å; S62-E65 PolarHBondContact OG-OE2 2.95Å; S62-C66 WeakPolarHBondContact O-CB 3.48Å; S62-C66 PolarHBondContact O-N 3.33Å; S62-C66 PolarHBondContact O-SG 2.58Å | ||
| 63 | E | 96.6 | Very high | 95.9 | Very high | 112 Ų | 112 | 56.4 Ų | 56.4 | 52% | 0.523 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -57.9 | -39.6 | 177.9 | -167 | -170.2 | 122.7 | 0 | 0 | 112 | C66 K67 I168 | E63-C66 WeakPolarHBondContact O-CB 3.4Å; E63-C66 PolarHBondContact O-N 3.34Å; E63-K67 WeakPolarHBondContact O-CG 3.32Å; E63-K67 PolarHBondContact O-N 3.38Å; E63-K67 WeakPolarHBondContact OE1-CE 3.34Å; E63-K67 IonicContact OE1-NZ 3.92Å; E63-K67 PolarHBondContact OE1-NZ 3.2Å; E63-I168 HydrophobicContact CG-CD1 3.95Å; E63-I168 HydrophobicContact CG-CG2 4.01Å; E63-I168 WeakPolarHBondContact OE1-CD1 3.12Å |
| 64 | D | 96.7 | Very high | 95.9 | Very high | 104 Ų | 104 | 56.7 Ų | 56.7 | 56% | 0.556 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -70.8 | -35.1 | -179.4 | -70.1 | -23.6 | 0 | 0 | 0 | 112.6 | S62 K67 Q68 | S62-D64 PolarHBondContact O-N 2.87Å; D64-K67 WeakPolarHBondContact O-CB 3.35Å; D64-K67 PolarHBondContact O-N 2.93Å; D64-K67 IonicContact OD1-NZ 3.82Å; D64-K67 PolarHBondContact OD1-NZ 2.86Å; D64-Q68 WeakPolarHBondContact O-CG 3.41Å; D64-Q68 PolarHBondContact O-N 3.28Å |
| 65 | E | 97.1 | Very high | 96 | Very high | 57 Ų | 57 | 56.9 Ų | 56.9 | 27% | 0.266 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.6 | -42.8 | 171 | -69.3 | 170 | 121 | 0 | 0 | 111.3 | K54 Y61 S62 K67 Q68 Y69 | K54-E65 IonicContact NZ-OE1 2.58Å; K54-E65 PolarHBondContact NZ-OE1 3.37Å; K54-E65 IonicContact NZ-OE2 2.75Å; Y61-E65 HydrophobicContact CD1-CB 4.26Å; S62-E65 WeakPolarHBondContact CB-OE2 3.48Å; S62-E65 PolarHBondContact N-OE2 3.42Å; S62-E65 PolarHBondContact O-N 2.89Å; S62-E65 VanDerWaalsContact OG-CG 3.23Å; S62-E65 WeakPolarHBondContact OG-CG 3.47Å; S62-E65 PolarHBondContact OG-N 2.94Å; S62-E65 PolarHBondContact OG-OE2 2.95Å; E65-K67 VanDerWaalsContact C-N 3.29Å; E65-K67 PolarHBondContact O-N 3.23Å; E65-Q68 WeakPolarHBondContact O-CB 3.39Å; E65-Q68 PolarHBondContact O-N 2.81Å; E65-Q68 VanDerWaalsContact O-N 3.07Å; E65-Y69 WeakPolarHBondContact O-CD2 3.46Å |
| 66 | C | 97.8 | Very high | 96 | Very high | 6 Ų | 6 | 55.9 Ų | 55.9 | 4% | 0.041 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.9 | -41.5 | 173.5 | -80 | 0 | 0 | 0 | 0 | 111.9 | Y61 S62 E63 Q68 Y69 I168 P169 | Y61-C66 VanDerWaalsContact CB-SG 3.59Å; S62-C66 WeakPolarHBondContact O-CB 3.48Å; S62-C66 PolarHBondContact O-N 3.33Å; S62-C66 PolarHBondContact O-SG 2.58Å; E63-C66 WeakPolarHBondContact O-CB 3.4Å; E63-C66 PolarHBondContact O-N 3.34Å; C66-Q68 VanDerWaalsContact C-N 3.26Å; C66-Q68 PolarHBondContact O-N 2.82Å; C66-Y69 PolarHBondContact O-N 3.31Å; C66-Y69 VanDerWaalsContact O-N 3.07Å; C66-I168 HydrophobicContact CB-CG2 4.18Å; C66-P169 VanDerWaalsContact CB-O 3.23Å; C66-P169 WeakPolarHBondContact CB-O 3.49Å; C66-P169 WeakPolarHBondContact O-CB 3.26Å; C66-P169 WeakPolarHBondContact O-CD 3.29Å; C66-P169 WeakPolarHBondContact O-CG 3.09Å |
| 67 | K | 96.3 | Very high | 96.2 | Very high | 79 Ų | 79 | 54.3 Ų | 54.3 | 34% | 0.343 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.4 | -36.6 | 175 | -74.4 | 170.1 | -167.5 | 150.4 | 0 | 112.5 | E63 D64 E65 Y69 K70 I168 | E63-K67 WeakPolarHBondContact O-CG 3.32Å; E63-K67 PolarHBondContact O-N 3.38Å; E63-K67 WeakPolarHBondContact OE1-CE 3.34Å; E63-K67 IonicContact OE1-NZ 3.92Å; E63-K67 PolarHBondContact OE1-NZ 3.2Å; D64-K67 WeakPolarHBondContact O-CB 3.35Å; D64-K67 PolarHBondContact O-N 2.93Å; D64-K67 IonicContact OD1-NZ 3.82Å; D64-K67 PolarHBondContact OD1-NZ 2.86Å; E65-K67 VanDerWaalsContact C-N 3.29Å; E65-K67 PolarHBondContact O-N 3.23Å; K67-Y69 PolarHBondContact O-N 2.99Å; K67-K70 WeakPolarHBondContact O-CB 3.23Å; K67-K70 PolarHBondContact O-N 3.19Å; K67-K70 VanDerWaalsContact O-N 3.09Å; K67-I168 HydrophobicContact CG-CG1 4.23Å; K67-I168 HydrophobicContact CG-CG2 4.07Å |
| 68 | Q | 96.1 | Very high | 96.3 | Very high | 144 Ų | 144 | 53.2 Ų | 53.2 | 67% | 0.673 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -64.5 | -29 | 178.5 | -62.9 | 172.5 | 15.5 | 0 | 0 | 112.4 | D64 E65 C66 K70 | D64-Q68 WeakPolarHBondContact O-CG 3.41Å; D64-Q68 PolarHBondContact O-N 3.28Å; E65-Q68 WeakPolarHBondContact O-CB 3.39Å; E65-Q68 PolarHBondContact O-N 2.81Å; E65-Q68 VanDerWaalsContact O-N 3.07Å; C66-Q68 VanDerWaalsContact C-N 3.26Å; C66-Q68 PolarHBondContact O-N 2.82Å; Q68-K70 PolarHBondContact O-N 2.97Å |
| 69 | Y | 97.3 | Very high | 96.6 | Very high | 54 Ų | 54 | 54.3 Ų | 54.3 | 21% | 0.212 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -9.8 | 176.1 | -76.8 | -83.2 | 0 | 0 | 0 | 114.1 | Y61 E65 C66 K67 V71 V72 V73 V174 T177 | Y61-Y69 HydrophobicContact CD1-CE2 4.09Å; Y61-Y69 AromaticContact CE1-CE2 3.97Å; Y61-Y69 HydrophobicContact CE1-CE2 3.97Å; E65-Y69 WeakPolarHBondContact O-CD2 3.46Å; C66-Y69 PolarHBondContact O-N 3.31Å; C66-Y69 VanDerWaalsContact O-N 3.07Å; K67-Y69 PolarHBondContact O-N 2.99Å; Y69-V71 VanDerWaalsContact C-N 3.26Å; Y69-V71 PolarHBondContact O-N 3.06Å; Y69-V72 PolarHBondContact O-N 2.74Å; Y69-V73 WeakPolarHBondContact O-CG2 3.37Å; Y69-V73 PolarHBondContact O-N 3.44Å; Y69-V174 HydrophobicContact CD1-CG1 4.16Å; Y69-V174 HydrophobicContact CD2-CB 4.33Å; Y69-V174 HydrophobicContact CD2-CG1 3.8Å; Y69-V174 HydrophobicContact CD2-CG2 3.63Å; Y69-V174 HydrophobicContact CE1-CG1 3.99Å; Y69-V174 HydrophobicContact CE2-CG1 3.61Å; Y69-V174 HydrophobicContact CE2-CG2 4.25Å; Y69-V174 HydrophobicContact CG-CB 4.39Å; Y69-V174 HydrophobicContact CG-CG1 4.08Å; Y69-V174 HydrophobicContact CG-CG2 3.82Å; Y69-T177 HydrophobicContact CD1-CG2 4.05Å |
| 70 | K | 96.5 | Very high | 96.8 | Very high | 46 Ų | 46 | 46.2 Ų | 46.2 | 20% | 0.2 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.4 | -42 | -179.3 | -174.2 | 171.7 | -177.8 | 162 | 0 | 111.9 | K67 Q68 V72 V73 Y74 S165 Y167 P169 | K67-K70 WeakPolarHBondContact O-CB 3.23Å; K67-K70 PolarHBondContact O-N 3.19Å; K67-K70 VanDerWaalsContact O-N 3.09Å; Q68-K70 PolarHBondContact O-N 2.97Å; K70-V72 VanDerWaalsContact C-N 3.3Å; K70-V72 PolarHBondContact O-N 2.82Å; K70-V73 PolarHBondContact O-N 2.85Å; K70-Y74 HydrophobicContact CD-CE2 4.31Å; K70-Y74 WeakPolarHBondContact CE-OH 3.32Å; K70-Y74 HydrophobicContact CG-CD2 4.31Å; K70-Y74 HydrophobicContact CG-CE1 4.42Å; K70-Y74 HydrophobicContact CG-CE2 3.87Å; K70-Y74 PolarHBondContact O-N 2.89Å; K70-S165 PolarHBondContact NZ-O 3.31Å; K70-Y167 HydrophobicContact CG-CD1 4.33Å; K70-Y167 PolarHBondContact NZ-O 3.44Å; K70-P169 HydrophobicContact CB-CG 4.03Å |
| 71 | V | 96.3 | Very high | 97 | Very high | 62 Ų | 62 | 45.9 Ų | 45.9 | 38% | 0.376 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -58.1 | -44.6 | 176.6 | -174.5 | 0 | 0 | 0 | 0 | 111.3 | Y69 S75 E116 | Y69-V71 VanDerWaalsContact C-N 3.26Å; Y69-V71 PolarHBondContact O-N 3.06Å; V71-S75 VanDerWaalsContact O-CB 3.31Å; V71-S75 WeakPolarHBondContact O-CB 3.3Å; V71-S75 PolarHBondContact O-N 3.44Å; V71-E116 HydrophobicContact CG1-CB 4.35Å |
| 72 | V | 97.2 | Very high | 97.1 | Very high | 31 Ų | 31 | 45.9 Ų | 45.9 | 19% | 0.188 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.2 | -42.9 | -178.3 | -172.4 | 0 | 0 | 0 | 0 | 111.2 | Y69 K70 Y74 S75 N76 T177 V179 | Y69-V72 PolarHBondContact O-N 2.74Å; K70-V72 VanDerWaalsContact C-N 3.3Å; K70-V72 PolarHBondContact O-N 2.82Å; V72-Y74 VanDerWaalsContact C-N 3.35Å; V72-Y74 PolarHBondContact O-N 2.77Å; V72-S75 PolarHBondContact O-N 2.74Å; V72-N76 WeakPolarHBondContact O-CB 3.32Å; V72-N76 PolarHBondContact O-N 3.16Å; V72-N76 PolarHBondContact O-OD1 3.28Å; V72-T177 HydrophobicContact CB-CG2 4.15Å; V72-T177 HydrophobicContact CG1-CG2 3.97Å; V72-V179 HydrophobicContact CG1-CG2 3.58Å; V72-V179 HydrophobicContact CG2-CG2 4.18Å |
| 73 | V | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.7 | -49.7 | 176.2 | 170.6 | 0 | 0 | 0 | 0 | 110.4 | Y69 K70 N76 T77 Y155 Y167 P169 D173 T177 | Y69-V73 WeakPolarHBondContact O-CG2 3.37Å; Y69-V73 PolarHBondContact O-N 3.44Å; K70-V73 PolarHBondContact O-N 2.85Å; V73-N76 PolarHBondContact O-N 2.59Å; V73-T77 WeakPolarHBondContact O-CB 3.4Å; V73-T77 PolarHBondContact O-N 3.05Å; V73-T77 PolarHBondContact O-OG1 3.22Å; V73-Y155 HydrophobicContact CB-CE1 4.32Å; V73-Y155 HydrophobicContact CG1-CD1 3.77Å; V73-Y155 HydrophobicContact CG1-CE1 3.57Å; V73-Y155 HydrophobicContact CG2-CE1 4.04Å; V73-Y167 HydrophobicContact CG1-CE1 4.13Å; V73-P169 HydrophobicContact CG2-CB 4.48Å; V73-P169 HydrophobicContact CG2-CG 4.33Å; V73-D173 HydrophobicContact CG2-CB 4.19Å; V73-T177 HydrophobicContact CG2-CG2 3.63Å |
| 74 | Y | 96.9 | Very high | 97.3 | Very high | 6 Ų | 6 | 38.8 Ų | 38.8 | 2% | 0.024 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.5 | -45.8 | 179.7 | -68.9 | -6.4 | 0 | 0 | 0 | 112 | K70 V72 N76 T77 I78 G117 M119 I162 Y167 | K70-Y74 HydrophobicContact CD-CE2 4.31Å; K70-Y74 WeakPolarHBondContact CE-OH 3.32Å; K70-Y74 HydrophobicContact CG-CD2 4.31Å; K70-Y74 HydrophobicContact CG-CE1 4.42Å; K70-Y74 HydrophobicContact CG-CE2 3.87Å; K70-Y74 PolarHBondContact O-N 2.89Å; V72-Y74 VanDerWaalsContact C-N 3.35Å; V72-Y74 PolarHBondContact O-N 2.77Å; Y74-N76 VanDerWaalsContact C-N 3.34Å; Y74-N76 PolarHBondContact O-N 3.24Å; Y74-T77 PolarHBondContact O-N 3.15Å; Y74-I78 WeakPolarHBondContact O-CB 3.41Å; Y74-I78 VanDerWaalsContact O-CG1 3.3Å; Y74-I78 WeakPolarHBondContact O-CG1 3.25Å; Y74-I78 PolarHBondContact O-N 2.76Å; Y74-G117 VanDerWaalsContact CD2-C 3.47Å; Y74-G117 VanDerWaalsContact CD2-O 3.25Å; Y74-G117 WeakPolarHBondContact CD2-O 3.43Å; Y74-G117 VanDerWaalsContact CE2-O 3.29Å; Y74-G117 WeakPolarHBondContact CE2-O 3.5Å; Y74-M119 HydrophobicContact CD1-CB 4.23Å; Y74-M119 HydrophobicContact CD1-CE 4.29Å; Y74-M119 HydrophobicContact CD2-CB 3.76Å; Y74-M119 HydrophobicContact CE1-CB 4Å; Y74-M119 HydrophobicContact CE2-CB 3.52Å; Y74-M119 HydrophobicContact CG-CB 4.11Å; Y74-M119 HydrophobicContact CG-CE 4.37Å; Y74-I162 HydrophobicContact CE1-CB 4.37Å; Y74-I162 WeakPolarHBondContact CE1-O 3.41Å; Y74-I162 VanDerWaalsContact CZ-O 3.28Å; Y74-I162 PolarHBondContact OH-O 2.83Å; Y74-Y167 AromaticContact CE1-CD1 3.71Å; Y74-Y167 HydrophobicContact CE1-CD1 3.71Å; Y74-Y167 AromaticContact CE1-CE1 3.88Å; Y74-Y167 HydrophobicContact CE1-CE1 3.88Å; Y74-Y167 AromaticContact CZ-CD1 3.9Å; Y74-Y167 WeakPolarHBondContact OH-CD1 3.42Å |
| 75 | S | 96 | Very high | 97.3 | Very high | 47 Ų | 47 | 34.5 Ų | 34.5 | 33% | 0.329 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -56.2 | -47.6 | 175.3 | -178.4 | 0 | 0 | 0 | 0 | 111.6 | V71 V72 T77 Q79 | V71-S75 VanDerWaalsContact O-CB 3.31Å; V71-S75 WeakPolarHBondContact O-CB 3.3Å; V71-S75 PolarHBondContact O-N 3.44Å; V72-S75 PolarHBondContact O-N 2.74Å; S75-T77 VanDerWaalsContact C-N 3.33Å; S75-T77 PolarHBondContact O-N 3.42Å; S75-Q79 VanDerWaalsContact O-CB 3.24Å; S75-Q79 WeakPolarHBondContact O-CB 3.48Å; S75-Q79 WeakPolarHBondContact O-CG 3.4Å; S75-Q79 PolarHBondContact O-N 3.36Å; S75-Q79 PolarHBondContact OG-NE2 3.2Å; S75-Q79 VanDerWaalsContact OG-NE2 3.07Å |
| 76 | N | 97.4 | Very high | 97.4 | Very high | 7 Ų | 7 | 38.8 Ų | 38.8 | 4% | 0.037 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.2 | -35.9 | 179.1 | -68.2 | 167.1 | 0 | 0 | 0 | 112.4 | V72 V73 Y74 S80 Y155 R178 | V72-N76 WeakPolarHBondContact O-CB 3.32Å; V72-N76 PolarHBondContact O-N 3.16Å; V72-N76 PolarHBondContact O-OD1 3.28Å; V73-N76 PolarHBondContact O-N 2.59Å; Y74-N76 VanDerWaalsContact C-N 3.34Å; Y74-N76 PolarHBondContact O-N 3.24Å; N76-S80 VanDerWaalsContact O-CB 3.25Å; N76-S80 WeakPolarHBondContact O-CB 3.45Å; N76-S80 PolarHBondContact O-N 2.96Å; N76-S80 PolarHBondContact O-OG 3.15Å; N76-Y155 HydrophobicContact CB-CE2 4.34Å; N76-R178 PolarHBondContact ND2-O 2.85Å; N76-R178 PolarHBondContact OD1-N 2.97Å; N76-R178 PolarHBondContact OD1-O 3Å |
| 77 | T | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.5 | -51.3 | 177.3 | -55.4 | 0 | 0 | 0 | 0 | 110.9 | V73 Y74 S75 S80 I81 M119 Y155 L156 L159 I162 | V73-T77 WeakPolarHBondContact O-CB 3.4Å; V73-T77 PolarHBondContact O-N 3.05Å; V73-T77 PolarHBondContact O-OG1 3.22Å; Y74-T77 PolarHBondContact O-N 3.15Å; S75-T77 VanDerWaalsContact C-N 3.33Å; S75-T77 PolarHBondContact O-N 3.42Å; T77-S80 PolarHBondContact O-N 3.33Å; T77-I81 PolarHBondContact O-N 3.36Å; T77-I81 VanDerWaalsContact O-N 3.14Å; T77-M119 HydrophobicContact CG2-CE 4.47Å; T77-Y155 VanDerWaalsContact OG1-CB 3.31Å; T77-Y155 WeakPolarHBondContact OG1-CB 3.48Å; T77-L156 HydrophobicContact CG2-CD2 3.9Å; T77-L159 HydrophobicContact CG2-CD2 3.99Å; T77-I162 HydrophobicContact CG2-CD1 3.93Å |
| 78 | I | 96.9 | Very high | 97.5 | Very high | 23 Ų | 23 | 34.9 Ų | 34.9 | 12% | 0.118 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.5 | -44.1 | -178.6 | -65.4 | 165.6 | 0 | 0 | 0 | 110.6 | Y74 S80 I81 I82 A111 M119 L123 I127 | Y74-I78 WeakPolarHBondContact O-CB 3.41Å; Y74-I78 VanDerWaalsContact O-CG1 3.3Å; Y74-I78 WeakPolarHBondContact O-CG1 3.25Å; Y74-I78 PolarHBondContact O-N 2.76Å; I78-S80 VanDerWaalsContact C-N 3.33Å; I78-S80 PolarHBondContact O-N 2.9Å; I78-I81 WeakPolarHBondContact O-CG2 3.41Å; I78-I81 PolarHBondContact O-N 3.41Å; I78-I82 HydrophobicContact CG2-CD1 3.8Å; I78-I82 WeakPolarHBondContact O-CB 3.48Å; I78-I82 WeakPolarHBondContact O-CG1 3.32Å; I78-I82 PolarHBondContact O-N 2.91Å; I78-A111 HydrophobicContact CG2-CB 3.66Å; I78-M119 HydrophobicContact CD1-CE 4.06Å; I78-M119 HydrophobicContact CG1-CE 3.85Å; I78-L123 HydrophobicContact CD1-CD2 3.81Å; I78-L123 HydrophobicContact CG1-CD2 4.25Å; I78-I127 HydrophobicContact CG1-CD1 4.16Å |
| 79 | Q | 96.7 | Very high | 97.6 | Very high | 103 Ų | 103 | 31 Ų | 31 | 48% | 0.481 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -64.3 | -38.4 | 177.4 | -72.5 | 170.3 | -0.9 | 0 | 0 | 112.1 | S75 I82 A83 | S75-Q79 VanDerWaalsContact O-CB 3.24Å; S75-Q79 WeakPolarHBondContact O-CB 3.48Å; S75-Q79 WeakPolarHBondContact O-CG 3.4Å; S75-Q79 PolarHBondContact O-N 3.36Å; S75-Q79 PolarHBondContact OG-NE2 3.2Å; S75-Q79 VanDerWaalsContact OG-NE2 3.07Å; Q79-I82 PolarHBondContact O-N 3.37Å; Q79-A83 WeakPolarHBondContact O-CB 2.86Å; Q79-A83 PolarHBondContact O-N 2.87Å |
| 80 | S | 98.2 | Very high | 97.6 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.014 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.5 | -49.5 | 177 | -65 | 0 | 0 | 0 | 0 | 112 | N76 T77 I78 I82 A83 I84 | N76-S80 VanDerWaalsContact O-CB 3.25Å; N76-S80 WeakPolarHBondContact O-CB 3.45Å; N76-S80 PolarHBondContact O-N 2.96Å; N76-S80 PolarHBondContact O-OG 3.15Å; T77-S80 PolarHBondContact O-N 3.33Å; I78-S80 VanDerWaalsContact C-N 3.33Å; I78-S80 PolarHBondContact O-N 2.9Å; S80-I82 PolarHBondContact O-N 3.31Å; S80-A83 WeakPolarHBondContact O-CB 3.37Å; S80-A83 PolarHBondContact O-N 3.45Å; S80-I84 WeakPolarHBondContact O-CG1 3.4Å; S80-I84 PolarHBondContact O-N 2.93Å; S80-I84 VanDerWaalsContact O-N 3.11Å |
| 81 | I | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.1 | -40 | 178.6 | -170.8 | 65 | 0 | 0 | 0 | 111.7 | T77 I78 A83 I84 I85 L107 I127 L130 V136 L156 | T77-I81 PolarHBondContact O-N 3.36Å; T77-I81 VanDerWaalsContact O-N 3.14Å; I78-I81 WeakPolarHBondContact O-CG2 3.41Å; I78-I81 PolarHBondContact O-N 3.41Å; I81-A83 VanDerWaalsContact C-N 3.3Å; I81-A83 PolarHBondContact O-N 2.82Å; I81-I84 PolarHBondContact O-N 3.26Å; I81-I85 HydrophobicContact CD1-CG1 4.49Å; I81-I85 HydrophobicContact CG1-CG1 4.34Å; I81-I85 WeakPolarHBondContact O-CG1 3.24Å; I81-I85 PolarHBondContact O-N 3.06Å; I81-L107 HydrophobicContact CG1-CD2 4.04Å; I81-L107 HydrophobicContact CG2-CD1 4.07Å; I81-L107 HydrophobicContact CG2-CD2 4.09Å; I81-I127 HydrophobicContact CB-CG2 4.19Å; I81-I127 HydrophobicContact CG1-CG2 4.14Å; I81-I127 HydrophobicContact CG2-CD1 4.17Å; I81-I127 HydrophobicContact CG2-CG1 4.07Å; I81-I127 HydrophobicContact CG2-CG2 4.07Å; I81-L130 HydrophobicContact CD1-CB 4.31Å; I81-V136 HydrophobicContact CD1-CG1 4.21Å; I81-L156 HydrophobicContact CB-CD2 4.06Å |
| 82 | I | 98 | Very high | 97.7 | Very high | 22 Ų | 22 | 41.4 Ų | 41.4 | 11% | 0.113 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.2 | -42 | 174.4 | -77.2 | 171.6 | 0 | 0 | 0 | 111.3 | I78 Q79 S80 I84 I85 R86 L107 F108 A111 | I78-I82 HydrophobicContact CG2-CD1 3.8Å; I78-I82 WeakPolarHBondContact O-CB 3.48Å; I78-I82 WeakPolarHBondContact O-CG1 3.32Å; I78-I82 PolarHBondContact O-N 2.91Å; Q79-I82 PolarHBondContact O-N 3.37Å; S80-I82 PolarHBondContact O-N 3.31Å; I82-I84 VanDerWaalsContact C-N 3.34Å; I82-I84 PolarHBondContact O-N 3.49Å; I82-I85 PolarHBondContact O-N 3.01Å; I82-R86 HydrophobicContact CG2-CG 4.43Å; I82-R86 WeakPolarHBondContact O-CB 3.41Å; I82-R86 WeakPolarHBondContact O-CG 3.47Å; I82-R86 PolarHBondContact O-N 2.94Å; I82-L107 HydrophobicContact CG1-CD2 4.14Å; I82-L107 HydrophobicContact CG1-CG 4.29Å; I82-F108 HydrophobicContact CG1-CE1 4.27Å; I82-F108 HydrophobicContact CG2-CE1 3.9Å; I82-A111 HydrophobicContact CD1-CB 3.88Å |
| 83 | A | 98.4 | Very high | 97.8 | Very high | 22 Ų | 22 | 41.2 Ų | 41.2 | 18% | 0.182 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.4 | -43.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q79 S80 I81 R86 A87 L148 | Q79-A83 WeakPolarHBondContact O-CB 2.86Å; Q79-A83 PolarHBondContact O-N 2.87Å; S80-A83 WeakPolarHBondContact O-CB 3.37Å; S80-A83 PolarHBondContact O-N 3.45Å; I81-A83 VanDerWaalsContact C-N 3.3Å; I81-A83 PolarHBondContact O-N 2.82Å; A83-R86 PolarHBondContact O-N 2.63Å; A83-A87 WeakPolarHBondContact O-CB 3.26Å; A83-A87 PolarHBondContact O-N 3.07Å; A83-L148 HydrophobicContact CB-CD1 4.12Å |
| 84 | I | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.5 | -49.7 | 176.7 | -62.1 | 159.9 | 0 | 0 | 0 | 110.7 | S80 I81 I82 R86 A87 M88 W131 V136 C139 F140 Y146 L148 L156 | S80-I84 WeakPolarHBondContact O-CG1 3.4Å; S80-I84 PolarHBondContact O-N 2.93Å; S80-I84 VanDerWaalsContact O-N 3.11Å; I81-I84 PolarHBondContact O-N 3.26Å; I82-I84 VanDerWaalsContact C-N 3.34Å; I82-I84 PolarHBondContact O-N 3.49Å; I84-R86 VanDerWaalsContact C-N 3.32Å; I84-R86 PolarHBondContact O-N 2.66Å; I84-A87 CarbonylContact O-C 3.55Å; I84-A87 WeakPolarHBondContact O-CA 3.26Å; I84-A87 WeakPolarHBondContact O-CB 3.45Å; I84-A87 PolarHBondContact O-N 3.35Å; I84-M88 WeakPolarHBondContact O-CG 3.14Å; I84-M88 PolarHBondContact O-N 3.36Å; I84-W131 HydrophobicContact CD1-CE3 4.35Å; I84-W131 HydrophobicContact CD1-CZ3 3.8Å; I84-V136 HydrophobicContact CG2-CG1 3.85Å; I84-C139 HydrophobicContact CG2-CB 4.12Å; I84-F140 HydrophobicContact CD1-CD2 4.1Å; I84-Y146 HydrophobicContact CG1-CE2 4.23Å; I84-L148 HydrophobicContact CD1-CD1 4.22Å; I84-L148 HydrophobicContact CD1-CD2 4.21Å; I84-L148 HydrophobicContact CG1-CD1 3.89Å; I84-L148 HydrophobicContact CG1-CD2 4Å; I84-L156 HydrophobicContact CD1-CD1 3.97Å |
| 85 | I | 98.5 | Very high | 97.9 | Very high | 13 Ų | 13 | 50 Ų | 50 | 7% | 0.067 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62 | -39.4 | -179.9 | -61.8 | -53.5 | 0 | 0 | 0 | 111.8 | I81 I82 A87 M88 F95 A104 L107 F108 L130 V136 | I81-I85 HydrophobicContact CD1-CG1 4.49Å; I81-I85 HydrophobicContact CG1-CG1 4.34Å; I81-I85 WeakPolarHBondContact O-CG1 3.24Å; I81-I85 PolarHBondContact O-N 3.06Å; I82-I85 PolarHBondContact O-N 3.01Å; I85-A87 VanDerWaalsContact C-N 3.33Å; I85-M88 HydrophobicContact CD1-SD 3.85Å; I85-M88 WeakPolarHBondContact O-CB 3.33Å; I85-M88 PolarHBondContact O-N 3.27Å; I85-F95 HydrophobicContact CD1-CE1 3.95Å; I85-F95 HydrophobicContact CD1-CZ 4.36Å; I85-A104 HydrophobicContact CG2-CB 4.01Å; I85-L107 HydrophobicContact CG1-CD2 3.93Å; I85-F108 HydrophobicContact CG2-CE2 3.81Å; I85-F108 HydrophobicContact CG2-CZ 4.05Å; I85-L130 HydrophobicContact CD1-CD1 4.4Å; I85-L130 HydrophobicContact CD1-CD2 4.14Å; I85-L130 HydrophobicContact CG1-CD1 4.44Å; I85-V136 HydrophobicContact CD1-CG2 3.77Å |
| 86 | R | 98.2 | Very high | 97.9 | Very high | 147 Ų | 147 | 50.5 Ų | 50.5 | 56% | 0.555 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -66 | -35.8 | 173.2 | -73.7 | 177.2 | 175.7 | 158.7 | 0.4 | 112.4 | I82 A83 I84 R90 F108 | I82-R86 HydrophobicContact CG2-CG 4.43Å; I82-R86 WeakPolarHBondContact O-CB 3.41Å; I82-R86 WeakPolarHBondContact O-CG 3.47Å; I82-R86 PolarHBondContact O-N 2.94Å; A83-R86 PolarHBondContact O-N 2.63Å; I84-R86 VanDerWaalsContact C-N 3.32Å; I84-R86 PolarHBondContact O-N 2.66Å; R86-R90 PolarHBondContact O-N 3.31Å; R86-F108 HydrophobicContact CG-CE1 4.28Å; R86-F108 HydrophobicContact CG-CZ 4Å |
| 87 | A | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.5 | -37 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A83 I84 I85 G89 R90 L91 Y146 | A83-A87 WeakPolarHBondContact O-CB 3.26Å; A83-A87 PolarHBondContact O-N 3.07Å; I84-A87 CarbonylContact O-C 3.55Å; I84-A87 WeakPolarHBondContact O-CA 3.26Å; I84-A87 WeakPolarHBondContact O-CB 3.45Å; I84-A87 PolarHBondContact O-N 3.35Å; I85-A87 VanDerWaalsContact C-N 3.33Å; A87-G89 VanDerWaalsContact C-N 3.29Å; A87-G89 PolarHBondContact O-N 3.07Å; A87-R90 PolarHBondContact O-N 3.29Å; A87-R90 VanDerWaalsContact O-N 3.07Å; A87-L91 WeakPolarHBondContact O-CB 3.4Å; A87-L91 WeakPolarHBondContact O-CG 3.4Å; A87-L91 PolarHBondContact O-N 3.09Å; A87-Y146 HydrophobicContact CB-CD1 3.41Å; A87-Y146 VanDerWaalsContact CB-CD1 3.41Å; A87-Y146 HydrophobicContact CB-CD2 3.63Å; A87-Y146 HydrophobicContact CB-CE1 3.54Å; A87-Y146 HydrophobicContact CB-CE2 3.76Å; A87-Y146 HydrophobicContact CB-CG 3.45Å; A87-Y146 VanDerWaalsContact CB-CG 3.45Å |
| 88 | M | 98.4 | Very high | 97.8 | Very high | 4 Ų | 4 | 59.8 Ų | 59.8 | 2% | 0.02 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -53.9 | -46.3 | 174.5 | -70.2 | 179.9 | 73.1 | 0 | 0 | 112 | I84 I85 R90 L91 K92 I93 F95 V136 C139 | I84-M88 WeakPolarHBondContact O-CG 3.14Å; I84-M88 PolarHBondContact O-N 3.36Å; I85-M88 HydrophobicContact CD1-SD 3.85Å; I85-M88 WeakPolarHBondContact O-CB 3.33Å; I85-M88 PolarHBondContact O-N 3.27Å; M88-R90 PolarHBondContact O-N 3.37Å; M88-L91 PolarHBondContact O-N 3.03Å; M88-K92 WeakPolarHBondContact O-CA 3.48Å; M88-K92 PolarHBondContact O-N 3.05Å; M88-I93 HydrophobicContact CB-CB 4.45Å; M88-I93 HydrophobicContact CE-CG2 4.25Å; M88-I93 WeakPolarHBondContact CE-O 3.35Å; M88-I93 HydrophobicContact CG-CB 4.47Å; M88-I93 PolarHBondContact O-N 3.11Å; M88-F95 HydrophobicContact CE-CD1 3.56Å; M88-F95 HydrophobicContact CE-CE1 3.66Å; M88-F95 HydrophobicContact CE-CG 4.05Å; M88-F95 HydrophobicContact CE-CZ 4.22Å; M88-F95 HydrophobicContact SD-CD1 4.19Å; M88-F95 HydrophobicContact SD-CE1 3.72Å; M88-F95 HydrophobicContact SD-CZ 4.26Å; M88-V136 HydrophobicContact CE-CG2 4.16Å; M88-V136 HydrophobicContact SD-CB 4.26Å; M88-V136 HydrophobicContact SD-CG2 3.53Å; M88-V136 VanDerWaalsContact SD-CG2 3.53Å; M88-C139 HydrophobicContact CG-CB 3.46Å; M88-C139 VanDerWaalsContact CG-CB 3.46Å; M88-C139 VanDerWaalsContact CG-SG 3.56Å; M88-C139 PolarHBondContact N-SG 3.46Å; M88-C139 VanDerWaalsContact N-SG 3.44Å; M88-C139 HydrophobicContact SD-CB 4.47Å |
| 89 | G | 97.2 | Very high | 97.8 | Very high | 61 Ų | 61 | 61.3 Ų | 61.3 | 63% | 0.629 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -62 | -40 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A87 | A87-G89 VanDerWaalsContact C-N 3.29Å; A87-G89 PolarHBondContact O-N 3.07Å |
| 90 | R | 97.1 | Very high | 97.8 | Very high | 158 Ų | 158 | 58 Ų | 58 | 60% | 0.596 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -70.5 | -41.9 | 177.8 | -71.6 | -177.1 | -75.5 | 169.2 | -1.4 | 112.5 | R86 A87 M88 K92 | R86-R90 PolarHBondContact O-N 3.31Å; A87-R90 PolarHBondContact O-N 3.29Å; A87-R90 VanDerWaalsContact O-N 3.07Å; M88-R90 PolarHBondContact O-N 3.37Å; R90-K92 VanDerWaalsContact C-N 3.26Å; R90-K92 PolarHBondContact O-N 3.25Å |
| 91 | L | 97.9 | Very high | 97.8 | Very high | 37 Ų | 37 | 59.7 Ų | 59.7 | 19% | 0.194 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -84.2 | -1.6 | -178.5 | -61.1 | -178.2 | 0 | 0 | 0 | 113.2 | A87 M88 I93 R142 E145 Y146 | A87-L91 WeakPolarHBondContact O-CB 3.4Å; A87-L91 WeakPolarHBondContact O-CG 3.4Å; A87-L91 PolarHBondContact O-N 3.09Å; M88-L91 PolarHBondContact O-N 3.03Å; L91-I93 VanDerWaalsContact C-N 3.32Å; L91-I93 HydrophobicContact CB-CD1 3.8Å; L91-I93 HydrophobicContact CB-CG1 3.88Å; L91-I93 HydrophobicContact CD1-CD1 4.08Å; L91-I93 PolarHBondContact O-N 3.43Å; L91-R142 HydrophobicContact CD1-CB 4.22Å; L91-E145 HydrophobicContact CD1-CB 4.34Å; L91-E145 HydrophobicContact CD2-CB 4.2Å; L91-E145 WeakPolarHBondContact CD2-OE2 3.21Å; L91-Y146 HydrophobicContact CD1-CD1 4.13Å; L91-Y146 HydrophobicContact CD1-CE1 4.19Å |
| 92 | K | 97.9 | Very high | 97.7 | Very high | 186 Ų | 186 | 62.6 Ų | 62.6 | 81% | 0.809 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 47.8 | -177.5 | -56.6 | -178.9 | -178.7 | 179 | 0 | 112.1 | M88 R90 | M88-K92 WeakPolarHBondContact O-CA 3.48Å; M88-K92 PolarHBondContact O-N 3.05Å; R90-K92 VanDerWaalsContact C-N 3.26Å; R90-K92 PolarHBondContact O-N 3.25Å |
| 93 | I | 98.1 | Very high | 97.7 | Very high | 28 Ų | 28 | 61.9 Ų | 61.9 | 14% | 0.144 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -98.9 | 118.1 | 176.3 | -58.4 | 172.4 | 0 | 0 | 0 | 107.7 | M88 L91 G135 A138 C139 | M88-I93 HydrophobicContact CB-CB 4.45Å; M88-I93 HydrophobicContact CE-CG2 4.25Å; M88-I93 WeakPolarHBondContact CE-O 3.35Å; M88-I93 HydrophobicContact CG-CB 4.47Å; M88-I93 PolarHBondContact O-N 3.11Å; L91-I93 VanDerWaalsContact C-N 3.32Å; L91-I93 HydrophobicContact CB-CD1 3.8Å; L91-I93 HydrophobicContact CB-CG1 3.88Å; L91-I93 HydrophobicContact CD1-CD1 4.08Å; L91-I93 PolarHBondContact O-N 3.43Å; I93-G135 WeakPolarHBondContact CG2-O 3.49Å; I93-A138 HydrophobicContact CG2-CB 4.45Å; I93-C139 HydrophobicContact CD1-CB 3.68Å |
| 94 | D | 98.2 | Very high | 97.7 | Very high | 139 Ų | 139 | 61.2 Ų | 61.2 | 74% | 0.743 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -73.5 | 154.4 | 175.3 | -65 | -41 | 0 | 0 | 0 | 111.1 | G135 | D94-G135 VanDerWaalsContact O-CA 3.28Å; D94-G135 WeakPolarHBondContact O-CA 3.2Å |
| 95 | F | 98.5 | Very high | 97.6 | Very high | 51 Ų | 51 | 68.4 Ų | 68.4 | 22% | 0.224 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 146.1 | 167.8 | -66.3 | -74 | 0 | 0 | 0 | 110.5 | I85 M88 E97 R100 A101 A104 L130 D133 V136 | I85-F95 HydrophobicContact CD1-CE1 3.95Å; I85-F95 HydrophobicContact CD1-CZ 4.36Å; M88-F95 HydrophobicContact CE-CD1 3.56Å; M88-F95 HydrophobicContact CE-CE1 3.66Å; M88-F95 HydrophobicContact CE-CG 4.05Å; M88-F95 HydrophobicContact CE-CZ 4.22Å; M88-F95 HydrophobicContact SD-CD1 4.19Å; M88-F95 HydrophobicContact SD-CE1 3.72Å; M88-F95 HydrophobicContact SD-CZ 4.26Å; F95-E97 VanDerWaalsContact C-N 3.29Å; F95-E97 WeakPolarHBondContact CB-O 3.28Å; F95-E97 PolarHBondContact O-N 2.81Å; F95-R100 HydrophobicContact CB-CB 3.88Å; F95-R100 HydrophobicContact CD1-CB 3.5Å; F95-R100 HydrophobicContact CD1-CG 4.44Å; F95-R100 HydrophobicContact CD2-CB 4.43Å; F95-R100 HydrophobicContact CE1-CB 4.15Å; F95-R100 HydrophobicContact CG-CB 3.68Å; F95-A101 HydrophobicContact CD2-CB 4.09Å; F95-A101 HydrophobicContact CE2-CB 4.17Å; F95-A104 HydrophobicContact CE1-CB 4.35Å; F95-A104 HydrophobicContact CE2-CB 4.21Å; F95-A104 HydrophobicContact CZ-CB 3.58Å; F95-L130 HydrophobicContact CE1-CD2 3.94Å; F95-D133 WeakPolarHBondContact CA-OD2 3.13Å; F95-V136 HydrophobicContact CD1-CG2 4.06Å; F95-V136 HydrophobicContact CE1-CG2 3.94Å |
| 96 | G | 97.6 | Very high | 97.6 | Very high | 57 Ų | 57 | 71.4 Ų | 71.4 | 59% | 0.588 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -63.9 | -37.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | D133 | G96-D133 VanDerWaalsContact CA-OD1 3.29Å; G96-D133 WeakPolarHBondContact CA-OD1 3.34Å; G96-D133 VanDerWaalsContact N-CG 3.3Å; G96-D133 PolarHBondContact N-OD1 3.23Å; G96-D133 PolarHBondContact N-OD2 3.28Å |
| 97 | E | 97.1 | Very high | 97.6 | Very high | 109 Ų | 109 | 64.4 Ų | 64.4 | 51% | 0.509 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -116.1 | 128.9 | 171.6 | -69.9 | 177.1 | -151 | 0 | 0 | 111.8 | F95 A99 R100 D133 | F95-E97 VanDerWaalsContact C-N 3.29Å; F95-E97 WeakPolarHBondContact CB-O 3.28Å; F95-E97 PolarHBondContact O-N 2.81Å; E97-A99 PolarHBondContact O-N 3.42Å; E97-R100 HydrophobicContact CB-CG 4.1Å; E97-R100 VanDerWaalsContact CD-NH1 3.34Å; E97-R100 VanDerWaalsContact O-CB 3.31Å; E97-R100 WeakPolarHBondContact O-CB 3.38Å; E97-R100 WeakPolarHBondContact O-CG 3.44Å; E97-R100 PolarHBondContact O-N 3.2Å; E97-R100 IonicContact OE1-NH1 3.64Å; E97-R100 IonicContact OE2-CZ 2.6Å; E97-R100 IonicContact OE2-NH1 3.58Å; E97-R100 PolarHBondContact OE2-NH1 3.49Å; E97-R100 IonicContact OE2-NH2 3.11Å; E97-D133 PolarHBondContact N-OD1 2.95Å |
| 98 | A | 95.7 | Very high | 97.5 | Very high | 93 Ų | 93 | 68.1 Ų | 68.1 | 77% | 0.769 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -30.5 | -180 | 0 | 0 | 0 | 0 | 0 | 113.7 | R100 A101 | A98-R100 PolarHBondContact O-N 3.03Å; A98-A101 WeakPolarHBondContact O-CB 3.24Å; A98-A101 PolarHBondContact O-N 3.05Å |
| 99 | A | 95.7 | Very high | 97.4 | Very high | 56 Ų | 56 | 72.8 Ų | 72.8 | 46% | 0.463 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -25.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | E97 A101 D102 | E97-A99 PolarHBondContact O-N 3.42Å; A99-A101 PolarHBondContact O-N 2.91Å; A99-D102 WeakPolarHBondContact O-CB 3.29Å; A99-D102 PolarHBondContact O-N 3.42Å; A99-D102 VanDerWaalsContact O-N 3.09Å |
| 100 | R | 98 | Very high | 97.3 | Very high | 33 Ų | 33 | 72 Ų | 72 | 13% | 0.125 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -67.2 | -19.4 | 179 | -62 | -64.6 | 92 | 80.4 | 8.6 | 113.3 | F95 E97 A98 D102 D103 A104 R129 L130 D133 | F95-R100 HydrophobicContact CB-CB 3.88Å; F95-R100 HydrophobicContact CD1-CB 3.5Å; F95-R100 HydrophobicContact CD1-CG 4.44Å; F95-R100 HydrophobicContact CD2-CB 4.43Å; F95-R100 HydrophobicContact CE1-CB 4.15Å; F95-R100 HydrophobicContact CG-CB 3.68Å; E97-R100 HydrophobicContact CB-CG 4.1Å; E97-R100 VanDerWaalsContact CD-NH1 3.34Å; E97-R100 VanDerWaalsContact O-CB 3.31Å; E97-R100 WeakPolarHBondContact O-CB 3.38Å; E97-R100 WeakPolarHBondContact O-CG 3.44Å; E97-R100 PolarHBondContact O-N 3.2Å; E97-R100 IonicContact OE1-NH1 3.64Å; E97-R100 IonicContact OE2-CZ 2.6Å; E97-R100 IonicContact OE2-NH1 3.58Å; E97-R100 PolarHBondContact OE2-NH1 3.49Å; E97-R100 IonicContact OE2-NH2 3.11Å; A98-R100 PolarHBondContact O-N 3.03Å; R100-D102 PolarHBondContact O-N 3.19Å; R100-D103 IonicContact CZ-OD2 2.76Å; R100-D103 IonicContact NE-OD2 3.5Å; R100-D103 PolarHBondContact NE-OD2 3.49Å; R100-D103 IonicContact NH2-OD2 3.38Å; R100-D103 PolarHBondContact NH2-OD2 3.29Å; R100-D103 PolarHBondContact O-N 3.02Å; R100-A104 WeakPolarHBondContact O-CB 3.24Å; R100-A104 PolarHBondContact O-N 3.08Å; R100-R129 WeakPolarHBondContact CD-O 3.46Å; R100-L130 HydrophobicContact CB-CD2 4.12Å; R100-D133 HydrophobicContact CG-CB 3.94Å; R100-D133 WeakPolarHBondContact CG-OD1 3.34Å |
| 101 | A | 97.1 | Very high | 97.2 | Very high | 37 Ų | 37 | 65.7 Ų | 65.7 | 31% | 0.306 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.5 | -30.6 | 172 | 0 | 0 | 0 | 0 | 0 | 112.3 | F95 A98 A99 R105 | F95-A101 HydrophobicContact CD2-CB 4.09Å; F95-A101 HydrophobicContact CE2-CB 4.17Å; A98-A101 WeakPolarHBondContact O-CB 3.24Å; A98-A101 PolarHBondContact O-N 3.05Å; A99-A101 PolarHBondContact O-N 2.91Å; A101-R105 PolarHBondContact O-N 2.95Å; A101-R105 PolarHBondContact O-NE 3.36Å |
| 102 | D | 97.6 | Very high | 96.8 | Very high | 62 Ų | 62 | 67.3 Ų | 67.3 | 33% | 0.332 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -74.4 | -45 | 172.8 | -165.3 | 72.5 | 0 | 0 | 0 | 111.5 | A99 R100 A104 R105 Q106 | A99-D102 WeakPolarHBondContact O-CB 3.29Å; A99-D102 PolarHBondContact O-N 3.42Å; A99-D102 VanDerWaalsContact O-N 3.09Å; R100-D102 PolarHBondContact O-N 3.19Å; D102-A104 PolarHBondContact O-N 3.49Å; D102-R105 WeakPolarHBondContact O-CA 3.41Å; D102-R105 WeakPolarHBondContact O-CB 3.41Å; D102-R105 PolarHBondContact O-N 3.28Å; D102-R105 IonicContact OD1-CZ 2.7Å; D102-R105 VanDerWaalsContact OD1-CZ 3.32Å; D102-R105 IonicContact OD1-NH1 3.68Å; D102-R105 PolarHBondContact OD1-NH1 3.45Å; D102-R105 IonicContact OD1-NH2 3.49Å; D102-R105 PolarHBondContact OD1-NH2 3.19Å; D102-Q106 WeakPolarHBondContact O-CG 3.43Å; D102-Q106 PolarHBondContact O-N 2.68Å; D102-Q106 PolarHBondContact OD2-NE2 2.91Å |
| 103 | D | 98.2 | Very high | 96.5 | Very high | 7 Ų | 7 | 62.6 Ų | 62.6 | 4% | 0.037 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -56.5 | -39.6 | 174 | -72.6 | -42.7 | 0 | 0 | 0 | 111.8 | R100 Q106 L107 V126 R129 L130 | R100-D103 IonicContact CZ-OD2 2.76Å; R100-D103 IonicContact NE-OD2 3.5Å; R100-D103 PolarHBondContact NE-OD2 3.49Å; R100-D103 IonicContact NH2-OD2 3.38Å; R100-D103 PolarHBondContact NH2-OD2 3.29Å; R100-D103 PolarHBondContact O-N 3.02Å; D103-Q106 PolarHBondContact O-N 2.88Å; D103-L107 WeakPolarHBondContact O-CB 3.4Å; D103-L107 PolarHBondContact O-N 2.97Å; D103-V126 HydrophobicContact CB-CG1 4.2Å; D103-V126 WeakPolarHBondContact O-CG1 3.35Å; D103-R129 IonicContact OD1-CZ 2.83Å; D103-R129 VanDerWaalsContact OD1-CZ 3.27Å; D103-R129 IonicContact OD1-NE 2.67Å; D103-R129 PolarHBondContact OD1-NE 2.97Å; D103-R129 IonicContact OD1-NH2 3.56Å; D103-R129 PolarHBondContact OD1-NH2 3.39Å; D103-R129 IonicContact OD2-NE 3.26Å; D103-R129 PolarHBondContact OD2-NE 2.84Å; D103-R129 VanDerWaalsContact OD2-NE 3.12Å; D103-L130 HydrophobicContact CB-CD1 4.39Å; D103-L130 HydrophobicContact CB-CD2 3.82Å; D103-L130 HydrophobicContact CB-CG 3.91Å |
| 104 | A | 98 | Very high | 95.9 | Very high | 8 Ų | 8 | 62.9 Ų | 62.9 | 7% | 0.066 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64 | -40.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I85 F95 R100 D102 L107 F108 L130 | I85-A104 HydrophobicContact CG2-CB 4.01Å; F95-A104 HydrophobicContact CE1-CB 4.35Å; F95-A104 HydrophobicContact CE2-CB 4.21Å; F95-A104 HydrophobicContact CZ-CB 3.58Å; R100-A104 WeakPolarHBondContact O-CB 3.24Å; R100-A104 PolarHBondContact O-N 3.08Å; D102-A104 PolarHBondContact O-N 3.49Å; A104-L107 WeakPolarHBondContact O-CB 3.28Å; A104-L107 PolarHBondContact O-N 2.81Å; A104-F108 WeakPolarHBondContact O-CD2 3.45Å; A104-F108 PolarHBondContact O-N 2.88Å; A104-L130 HydrophobicContact CB-CD2 4.21Å |
| 105 | R | 97.2 | Very high | 95.4 | Very high | 151 Ų | 151 | 63.5 Ų | 63.5 | 57% | 0.57 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.3 | -44.6 | 173.5 | -75.7 | -178.5 | -88 | 112 | -0.9 | 111.1 | A101 D102 L107 F108 V109 | A101-R105 PolarHBondContact O-N 2.95Å; A101-R105 PolarHBondContact O-NE 3.36Å; D102-R105 WeakPolarHBondContact O-CA 3.41Å; D102-R105 WeakPolarHBondContact O-CB 3.41Å; D102-R105 PolarHBondContact O-N 3.28Å; D102-R105 IonicContact OD1-CZ 2.7Å; D102-R105 VanDerWaalsContact OD1-CZ 3.32Å; D102-R105 IonicContact OD1-NH1 3.68Å; D102-R105 PolarHBondContact OD1-NH1 3.45Å; D102-R105 IonicContact OD1-NH2 3.49Å; D102-R105 PolarHBondContact OD1-NH2 3.19Å; R105-L107 VanDerWaalsContact C-N 3.34Å; R105-L107 PolarHBondContact O-N 3.18Å; R105-F108 PolarHBondContact O-N 2.98Å; R105-V109 PolarHBondContact O-N 2.82Å |
| 106 | Q | 97.3 | Very high | 94.8 | Very high | 75 Ų | 75 | 69.8 Ų | 69.8 | 35% | 0.35 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.7 | -40.3 | 176.2 | -67.2 | -176.3 | 27.5 | 0 | 0 | 112.1 | D102 D103 F108 V109 L110 V126 | D102-Q106 WeakPolarHBondContact O-CG 3.43Å; D102-Q106 PolarHBondContact O-N 2.68Å; D102-Q106 PolarHBondContact OD2-NE2 2.91Å; D103-Q106 PolarHBondContact O-N 2.88Å; Q106-F108 VanDerWaalsContact C-N 3.33Å; Q106-F108 PolarHBondContact O-N 2.56Å; Q106-V109 PolarHBondContact O-N 3.26Å; Q106-L110 HydrophobicContact CB-CD1 4.47Å; Q106-L110 WeakPolarHBondContact O-CB 3.38Å; Q106-L110 WeakPolarHBondContact O-CG 3.09Å; Q106-L110 PolarHBondContact O-N 3.05Å; Q106-V126 HydrophobicContact CB-CG2 4.16Å |
| 107 | L | 97.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -53.3 | -49.6 | 177.3 | 172.4 | 64.8 | 0 | 0 | 0 | 111.4 | I81 I82 I85 D103 A104 R105 V109 A111 L123 V126 I127 L130 | I81-L107 HydrophobicContact CG1-CD2 4.04Å; I81-L107 HydrophobicContact CG2-CD1 4.07Å; I81-L107 HydrophobicContact CG2-CD2 4.09Å; I82-L107 HydrophobicContact CG1-CD2 4.14Å; I82-L107 HydrophobicContact CG1-CG 4.29Å; I85-L107 HydrophobicContact CG1-CD2 3.93Å; D103-L107 WeakPolarHBondContact O-CB 3.4Å; D103-L107 PolarHBondContact O-N 2.97Å; A104-L107 WeakPolarHBondContact O-CB 3.28Å; A104-L107 PolarHBondContact O-N 2.81Å; R105-L107 VanDerWaalsContact C-N 3.34Å; R105-L107 PolarHBondContact O-N 3.18Å; L107-V109 VanDerWaalsContact C-N 3.34Å; L107-V109 PolarHBondContact O-N 2.74Å; L107-A111 WeakPolarHBondContact O-CB 3.37Å; L107-A111 PolarHBondContact O-N 2.87Å; L107-L123 HydrophobicContact CD1-CD1 3.84Å; L107-V126 HydrophobicContact CB-CG1 3.86Å; L107-I127 HydrophobicContact CD1-CD1 4.32Å; L107-I127 HydrophobicContact CD1-CG1 3.75Å; L107-L130 HydrophobicContact CB-CD1 3.94Å; L107-L130 HydrophobicContact CD2-CD1 3.74Å; L107-L130 HydrophobicContact CG-CD1 4.36Å |
| 108 | F | 96.5 | Very high | 93.8 | Very high | 79 Ų | 79 | 65.6 Ų | 65.6 | 35% | 0.346 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.6 | -36.9 | -179 | -72.3 | -71 | 0 | 0 | 0 | 112.6 | I82 I85 R86 A104 R105 Q106 G112 | I82-F108 HydrophobicContact CG1-CE1 4.27Å; I82-F108 HydrophobicContact CG2-CE1 3.9Å; I85-F108 HydrophobicContact CG2-CE2 3.81Å; I85-F108 HydrophobicContact CG2-CZ 4.05Å; R86-F108 HydrophobicContact CG-CE1 4.28Å; R86-F108 HydrophobicContact CG-CZ 4Å; A104-F108 WeakPolarHBondContact O-CD2 3.45Å; A104-F108 PolarHBondContact O-N 2.88Å; R105-F108 PolarHBondContact O-N 2.98Å; Q106-F108 VanDerWaalsContact C-N 3.33Å; Q106-F108 PolarHBondContact O-N 2.56Å; F108-G112 PolarHBondContact O-N 3.1Å; F108-G112 VanDerWaalsContact O-N 3.08Å |
| 109 | V | 96.6 | Very high | 93.8 | Very high | 102 Ų | 102 | 61.8 Ų | 61.8 | 62% | 0.618 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -68.9 | -49.7 | 177.7 | 175.6 | 0 | 0 | 0 | 0 | 111 | R105 Q106 L107 G112 S113 | R105-V109 PolarHBondContact O-N 2.82Å; Q106-V109 PolarHBondContact O-N 3.26Å; L107-V109 VanDerWaalsContact C-N 3.34Å; L107-V109 PolarHBondContact O-N 2.74Å; V109-G112 PolarHBondContact O-N 3.46Å; V109-S113 PolarHBondContact O-N 3.32Å; V109-S113 PolarHBondContact O-OG 3.08Å |
| 110 | L | 95.8 | Very high | 93.7 | Very high | 45 Ų | 45 | 61.2 Ų | 61.2 | 24% | 0.236 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.9 | -45.3 | -179.3 | -67.9 | 173.3 | 0 | 0 | 0 | 111.3 | Q106 G112 S113 A114 E122 L123 V126 | Q106-L110 HydrophobicContact CB-CD1 4.47Å; Q106-L110 WeakPolarHBondContact O-CB 3.38Å; Q106-L110 WeakPolarHBondContact O-CG 3.09Å; Q106-L110 PolarHBondContact O-N 3.05Å; L110-G112 VanDerWaalsContact C-N 3.31Å; L110-G112 PolarHBondContact O-N 3.11Å; L110-S113 CarbonylContact O-C 3.41Å; L110-S113 PolarHBondContact O-N 3.35Å; L110-S113 PolarHBondContact O-OG 3.13Å; L110-A114 WeakPolarHBondContact O-CB 3.33Å; L110-A114 PolarHBondContact O-N 2.96Å; L110-E122 HydrophobicContact CD1-CB 4.44Å; L110-L123 HydrophobicContact CB-CB 4.42Å; L110-L123 HydrophobicContact CB-CD1 3.87Å; L110-L123 HydrophobicContact CD1-CB 4.43Å; L110-V126 HydrophobicContact CD1-CG2 4.02Å |
| 111 | A | 93.8 | Very high | 93.5 | Very high | 24 Ų | 24 | 64.5 Ų | 64.5 | 20% | 0.198 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.1 | -32.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | I78 I82 L107 S113 | I78-A111 HydrophobicContact CG2-CB 3.66Å; I82-A111 HydrophobicContact CD1-CB 3.88Å; L107-A111 WeakPolarHBondContact O-CB 3.37Å; L107-A111 PolarHBondContact O-N 2.87Å; A111-S113 VanDerWaalsContact C-N 3.29Å |
| 112 | G | 91.2 | Very high | 93.4 | Very high | 72 Ų | 72 | 68.6 Ų | 68.6 | 74% | 0.742 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -74.3 | -17.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | F108 V109 L110 | F108-G112 PolarHBondContact O-N 3.1Å; F108-G112 VanDerWaalsContact O-N 3.08Å; V109-G112 PolarHBondContact O-N 3.46Å; L110-G112 VanDerWaalsContact C-N 3.31Å; L110-G112 PolarHBondContact O-N 3.11Å |
| 113 | S | 90.3 | Very high | 93.4 | Very high | 86 Ų | 86 | 65.6 Ų | 65.6 | 60% | 0.601 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -111.7 | -4.1 | 178.7 | 53 | 0 | 0 | 0 | 0 | 113.6 | V109 L110 A111 | V109-S113 PolarHBondContact O-N 3.32Å; V109-S113 PolarHBondContact O-OG 3.08Å; L110-S113 CarbonylContact O-C 3.41Å; L110-S113 PolarHBondContact O-N 3.35Å; L110-S113 PolarHBondContact O-OG 3.13Å; A111-S113 VanDerWaalsContact C-N 3.29Å |
| 114 | A | 86.4 | Confident | 93.3 | Very high | 35 Ų | 35 | 65.6 Ų | 65.6 | 29% | 0.289 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 133.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | L110 L123 | L110-A114 WeakPolarHBondContact O-CB 3.33Å; L110-A114 PolarHBondContact O-N 2.96Å; A114-L123 HydrophobicContact CB-CD2 4.35Å |
| 115 | E | 87.9 | Confident | 93.3 | Very high | 151 Ų | 151 | 66.2 Ų | 66.2 | 71% | 0.706 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 143.4 | 168.6 | -65.5 | 178.9 | -179.9 | 0 | 0 | 110.3 | G117 V118 | E115-G117 PolarHBondContact O-N 3.39Å; E115-V118 HydrophobicContact CB-CB 4.27Å; E115-V118 HydrophobicContact CB-CG2 3.92Å; E115-V118 PolarHBondContact O-N 3.38Å; E115-V118 VanDerWaalsContact O-N 3.11Å |
| 116 | E | 85.2 | Confident | 93.3 | Very high | 183 Ų | 183 | 59 Ų | 59 | 86% | 0.855 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 125.9 | 178.1 | -71 | -171.5 | 173.7 | 0 | 0 | 110.8 | V71 | V71-E116 HydrophobicContact CG1-CB 4.35Š|
| 117 | G | 84.6 | Confident | 93.4 | Very high | 19 Ų | 19 | 55.5 Ų | 55.5 | 20% | 0.196 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 12 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y74 E115 | Y74-G117 VanDerWaalsContact CD2-C 3.47Å; Y74-G117 VanDerWaalsContact CD2-O 3.25Å; Y74-G117 WeakPolarHBondContact CD2-O 3.43Å; Y74-G117 VanDerWaalsContact CE2-O 3.29Å; Y74-G117 WeakPolarHBondContact CE2-O 3.5Å; E115-G117 PolarHBondContact O-N 3.39Å |
| 118 | V | 89.5 | Confident | 93.4 | Very high | 59 Ų | 59 | 58.1 Ų | 58.1 | 36% | 0.358 | 34% | 0.344 | S | S | . | . | trans | -112 | 128.3 | 172.7 | -176 | 0 | 0 | 0 | 0 | 110.8 | E115 T120 | E115-V118 HydrophobicContact CB-CB 4.27Å; E115-V118 HydrophobicContact CB-CG2 3.92Å; E115-V118 PolarHBondContact O-N 3.38Å; E115-V118 VanDerWaalsContact O-N 3.11Å; V118-T120 HydrophobicContact CG1-CG2 4.13Å | ||
| 119 | M | 94.3 | Very high | 93.5 | Very high | 13 Ų | 13 | 59 Ų | 59 | 6% | 0.064 | 35% | 0.345 | C | S | . | . | trans | -110.6 | 100 | 169.7 | -179.3 | 67.2 | 67.7 | 0 | 0 | 107.8 | Y74 T77 I78 L123 A124 I127 | Y74-M119 HydrophobicContact CD1-CB 4.23Å; Y74-M119 HydrophobicContact CD1-CE 4.29Å; Y74-M119 HydrophobicContact CD2-CB 3.76Å; Y74-M119 HydrophobicContact CE1-CB 4Å; Y74-M119 HydrophobicContact CE2-CB 3.52Å; Y74-M119 HydrophobicContact CG-CB 4.11Å; Y74-M119 HydrophobicContact CG-CE 4.37Å; T77-M119 HydrophobicContact CG2-CE 4.47Å; I78-M119 HydrophobicContact CD1-CE 4.06Å; I78-M119 HydrophobicContact CG1-CE 3.85Å; M119-L123 HydrophobicContact SD-CB 4.37Å; M119-L123 HydrophobicContact SD-CD2 3.95Å; M119-L123 HydrophobicContact SD-CG 3.9Å; M119-A124 HydrophobicContact CG-CB 3.98Å; M119-A124 HydrophobicContact SD-CB 4.16Å; M119-I127 HydrophobicContact CE-CD1 4.21Å; M119-I127 HydrophobicContact SD-CD1 4.1Å | ||
| 120 | T | 93.9 | Very high | 93.6 | Very high | 45 Ų | 45 | 54.1 Ų | 54.1 | 28% | 0.276 | 32% | 0.316 | S | S | . | . | trans | -71 | 150.9 | 179.8 | 66.1 | 0 | 0 | 0 | 0 | 110.9 | V118 E122 L123 A124 | V118-T120 HydrophobicContact CG1-CG2 4.13Å; T120-E122 PolarHBondContact O-N 3.17Å; T120-L123 PolarHBondContact O-N 3.22Å; T120-L123 VanDerWaalsContact OG1-CB 3.28Å; T120-L123 WeakPolarHBondContact OG1-CB 3.25Å; T120-L123 PolarHBondContact OG1-N 2.76Å; T120-A124 WeakPolarHBondContact O-CB 3.34Å; T120-A124 PolarHBondContact O-N 3Å | ||
| 121 | P | 94.4 | Very high | 93.7 | Very high | 101 Ų | 101 | 52.7 Ų | 52.7 | 66% | 0.656 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -54.6 | -36.9 | 175.2 | -26.6 | 35.7 | 0 | 0 | 0 | 113 | G125 | P121-G125 PolarHBondContact O-N 3.27Å |
| 122 | E | 95.5 | Very high | 93.9 | Very high | 123 Ų | 123 | 60 Ų | 60 | 58% | 0.575 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -65.8 | -48.6 | 177.8 | -63.7 | 70.5 | -153 | 0 | 0 | 111.2 | L110 T120 G125 V126 | L110-E122 HydrophobicContact CD1-CB 4.44Å; T120-E122 PolarHBondContact O-N 3.17Å; E122-G125 PolarHBondContact O-N 3.06Å; E122-V126 WeakPolarHBondContact O-CG2 3.37Å; E122-V126 PolarHBondContact O-N 3.22Å |
| 123 | L | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.9 | -47.1 | 177.8 | 177.5 | 59.2 | 0 | 0 | 0 | 110.8 | I78 L107 L110 A114 M119 T120 G125 V126 I127 | I78-L123 HydrophobicContact CD1-CD2 3.81Å; I78-L123 HydrophobicContact CG1-CD2 4.25Å; L107-L123 HydrophobicContact CD1-CD1 3.84Å; L110-L123 HydrophobicContact CB-CB 4.42Å; L110-L123 HydrophobicContact CB-CD1 3.87Å; L110-L123 HydrophobicContact CD1-CB 4.43Å; A114-L123 HydrophobicContact CB-CD2 4.35Å; M119-L123 HydrophobicContact SD-CB 4.37Å; M119-L123 HydrophobicContact SD-CD2 3.95Å; M119-L123 HydrophobicContact SD-CG 3.9Å; T120-L123 PolarHBondContact O-N 3.22Å; T120-L123 VanDerWaalsContact OG1-CB 3.28Å; T120-L123 WeakPolarHBondContact OG1-CB 3.25Å; T120-L123 PolarHBondContact OG1-N 2.76Å; L123-G125 VanDerWaalsContact C-N 3.29Å; L123-G125 PolarHBondContact O-N 2.79Å; L123-V126 PolarHBondContact O-N 3.16Å; L123-I127 HydrophobicContact CD1-CD1 3.91Å; L123-I127 HydrophobicContact CD1-CG1 4.08Å; L123-I127 HydrophobicContact CG-CD1 3.89Å; L123-I127 HydrophobicContact CG-CG1 4.43Å; L123-I127 VanDerWaalsContact O-CG1 3.27Å; L123-I127 WeakPolarHBondContact O-CG1 3.42Å; L123-I127 PolarHBondContact O-N 3.1Å |
| 124 | A | 97 | Very high | 94.6 | Very high | 6 Ų | 6 | 55.2 Ų | 55.2 | 5% | 0.05 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.6 | -43 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | M119 T120 I127 K128 S163 | M119-A124 HydrophobicContact CG-CB 3.98Å; M119-A124 HydrophobicContact SD-CB 4.16Å; T120-A124 WeakPolarHBondContact O-CB 3.34Å; T120-A124 PolarHBondContact O-N 3Å; A124-I127 PolarHBondContact O-N 3.44Å; A124-K128 VanDerWaalsContact O-CB 3.23Å; A124-K128 WeakPolarHBondContact O-CB 3.31Å; A124-K128 PolarHBondContact O-N 3.03Å; A124-S163 VanDerWaalsContact CB-CB 3.46Å |
| 125 | G | 97.4 | Very high | 95.2 | Very high | 21 Ų | 21 | 53.9 Ų | 53.9 | 22% | 0.216 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.2 | -44 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | P121 E122 L123 K128 R129 | P121-G125 PolarHBondContact O-N 3.27Å; E122-G125 PolarHBondContact O-N 3.06Å; L123-G125 VanDerWaalsContact C-N 3.29Å; L123-G125 PolarHBondContact O-N 2.79Å; G125-K128 PolarHBondContact O-N 3.49Å; G125-R129 WeakPolarHBondContact O-CG 3.41Å; G125-R129 PolarHBondContact O-N 2.99Å; G125-R129 VanDerWaalsContact O-N 3.08Å; G125-R129 PolarHBondContact O-NH1 3.47Å |
| 126 | V | 98 | Very high | 95.7 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.5 | -50.5 | 175.1 | 167.2 | 0 | 0 | 0 | 0 | 111 | D103 Q106 L107 L110 E122 L123 K128 R129 L130 | D103-V126 HydrophobicContact CB-CG1 4.2Å; D103-V126 WeakPolarHBondContact O-CG1 3.35Å; Q106-V126 HydrophobicContact CB-CG2 4.16Å; L107-V126 HydrophobicContact CB-CG1 3.86Å; L110-V126 HydrophobicContact CD1-CG2 4.02Å; E122-V126 WeakPolarHBondContact O-CG2 3.37Å; E122-V126 PolarHBondContact O-N 3.22Å; L123-V126 PolarHBondContact O-N 3.16Å; V126-K128 VanDerWaalsContact C-N 3.28Å; V126-K128 PolarHBondContact O-N 2.9Å; V126-R129 PolarHBondContact O-N 3.3Å; V126-L130 HydrophobicContact CG1-CD1 3.87Å; V126-L130 WeakPolarHBondContact O-CG 3.41Å; V126-L130 PolarHBondContact O-N 2.96Å |
| 127 | I | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.4 | -42.2 | 179.3 | -63.1 | 174 | 0 | 0 | 0 | 110.2 | I78 I81 L107 M119 L123 A124 L130 W131 L156 L159 | I78-I127 HydrophobicContact CG1-CD1 4.16Å; I81-I127 HydrophobicContact CB-CG2 4.19Å; I81-I127 HydrophobicContact CG1-CG2 4.14Å; I81-I127 HydrophobicContact CG2-CD1 4.17Å; I81-I127 HydrophobicContact CG2-CG1 4.07Å; I81-I127 HydrophobicContact CG2-CG2 4.07Å; L107-I127 HydrophobicContact CD1-CD1 4.32Å; L107-I127 HydrophobicContact CD1-CG1 3.75Å; M119-I127 HydrophobicContact CE-CD1 4.21Å; M119-I127 HydrophobicContact SD-CD1 4.1Å; L123-I127 HydrophobicContact CD1-CD1 3.91Å; L123-I127 HydrophobicContact CD1-CG1 4.08Å; L123-I127 HydrophobicContact CG-CD1 3.89Å; L123-I127 HydrophobicContact CG-CG1 4.43Å; L123-I127 VanDerWaalsContact O-CG1 3.27Å; L123-I127 WeakPolarHBondContact O-CG1 3.42Å; L123-I127 PolarHBondContact O-N 3.1Å; A124-I127 PolarHBondContact O-N 3.44Å; I127-L130 PolarHBondContact O-N 3.27Å; I127-W131 VanDerWaalsContact O-CB 3.3Å; I127-W131 WeakPolarHBondContact O-CB 3.42Å; I127-W131 PolarHBondContact O-N 2.99Å; I127-L156 HydrophobicContact CG2-CD2 3.65Å; I127-L159 HydrophobicContact CB-CD1 4.19Å; I127-L159 HydrophobicContact CG2-CD1 3.47Å; I127-L159 VanDerWaalsContact CG2-CD1 3.47Å; I127-L159 HydrophobicContact CG2-CD2 4.14Å; I127-L159 HydrophobicContact CG2-CG 4.45Å |
| 128 | K | 98.1 | Very high | 97 | Very high | 55 Ų | 55 | 42.4 Ų | 42.4 | 24% | 0.239 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.1 | -41.6 | 179.9 | -173 | 176.2 | -176.1 | 176.6 | 0 | 112.6 | A124 G125 V126 R132 L159 D160 | A124-K128 VanDerWaalsContact O-CB 3.23Å; A124-K128 WeakPolarHBondContact O-CB 3.31Å; A124-K128 PolarHBondContact O-N 3.03Å; G125-K128 PolarHBondContact O-N 3.49Å; V126-K128 VanDerWaalsContact C-N 3.28Å; V126-K128 PolarHBondContact O-N 2.9Å; K128-R132 VanDerWaalsContact O-CG 3.3Å; K128-R132 WeakPolarHBondContact O-CG 3.26Å; K128-R132 PolarHBondContact O-N 3.39Å; K128-L159 HydrophobicContact CB-CD1 4.41Å; K128-D160 WeakPolarHBondContact CE-OD1 3.3Å; K128-D160 WeakPolarHBondContact CE-OD2 3.09Å; K128-D160 IonicContact NZ-OD1 2.68Å; K128-D160 PolarHBondContact NZ-OD1 3.48Å; K128-D160 IonicContact NZ-OD2 3.3Å; K128-D160 PolarHBondContact NZ-OD2 2.96Å |
| 129 | R | 98.3 | Very high | 97.5 | Very high | 98 Ų | 98 | 39.6 Ų | 39.6 | 37% | 0.37 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.8 | -43.7 | 175.4 | -74.1 | -168.9 | -61 | -84.1 | 4.2 | 111.7 | R100 D103 G125 V126 R132 D133 | R100-R129 WeakPolarHBondContact CD-O 3.46Å; D103-R129 IonicContact OD1-CZ 2.83Å; D103-R129 VanDerWaalsContact OD1-CZ 3.27Å; D103-R129 IonicContact OD1-NE 2.67Å; D103-R129 PolarHBondContact OD1-NE 2.97Å; D103-R129 IonicContact OD1-NH2 3.56Å; D103-R129 PolarHBondContact OD1-NH2 3.39Å; D103-R129 IonicContact OD2-NE 3.26Å; D103-R129 PolarHBondContact OD2-NE 2.84Å; D103-R129 VanDerWaalsContact OD2-NE 3.12Å; G125-R129 WeakPolarHBondContact O-CG 3.41Å; G125-R129 PolarHBondContact O-N 2.99Å; G125-R129 VanDerWaalsContact O-N 3.08Å; G125-R129 PolarHBondContact O-NH1 3.47Å; V126-R129 PolarHBondContact O-N 3.3Å; R129-R132 PolarHBondContact O-N 3.48Å; R129-D133 PolarHBondContact O-N 3.31Å |
| 130 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.4 | -49.5 | 175.7 | -71 | 170.7 | 0 | 0 | 0 | 111 | I81 I85 F95 R100 D103 A104 L107 V126 I127 R132 D133 V136 | I81-L130 HydrophobicContact CD1-CB 4.31Å; I85-L130 HydrophobicContact CD1-CD1 4.4Å; I85-L130 HydrophobicContact CD1-CD2 4.14Å; I85-L130 HydrophobicContact CG1-CD1 4.44Å; F95-L130 HydrophobicContact CE1-CD2 3.94Å; R100-L130 HydrophobicContact CB-CD2 4.12Å; D103-L130 HydrophobicContact CB-CD1 4.39Å; D103-L130 HydrophobicContact CB-CD2 3.82Å; D103-L130 HydrophobicContact CB-CG 3.91Å; A104-L130 HydrophobicContact CB-CD2 4.21Å; L107-L130 HydrophobicContact CB-CD1 3.94Å; L107-L130 HydrophobicContact CD2-CD1 3.74Å; L107-L130 HydrophobicContact CG-CD1 4.36Å; V126-L130 HydrophobicContact CG1-CD1 3.87Å; V126-L130 WeakPolarHBondContact O-CG 3.41Å; V126-L130 PolarHBondContact O-N 2.96Å; I127-L130 PolarHBondContact O-N 3.27Å; L130-R132 PolarHBondContact O-N 2.95Å; L130-D133 VanDerWaalsContact O-CB 3.22Å; L130-D133 WeakPolarHBondContact O-CB 3.23Å; L130-D133 PolarHBondContact O-N 2.98Å; L130-V136 WeakPolarHBondContact O-CB 3.09Å; L130-V136 WeakPolarHBondContact O-CG1 3.23Å; L130-V136 WeakPolarHBondContact O-CG2 3.48Å |
| 131 | W | 98.5 | Very high | 97.8 | Very high | 14 Ų | 14 | 43.1 Ų | 43.1 | 5% | 0.053 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.8 | -32.3 | -177.8 | -177.2 | -124.8 | 0 | 0 | 0 | 113 | I84 I127 D133 V136 Q137 F140 L156 N157 | I84-W131 HydrophobicContact CD1-CE3 4.35Å; I84-W131 HydrophobicContact CD1-CZ3 3.8Å; I127-W131 VanDerWaalsContact O-CB 3.3Å; I127-W131 WeakPolarHBondContact O-CB 3.42Å; I127-W131 PolarHBondContact O-N 2.99Å; W131-D133 VanDerWaalsContact C-N 3.31Å; W131-V136 HydrophobicContact CE3-CG1 4.11Å; W131-Q137 VanDerWaalsContact CD2-NE2 3.26Å; W131-Q137 VanDerWaalsContact CE3-NE2 3.33Å; W131-Q137 PolarHBondContact O-NE2 3.37Å; W131-F140 HydrophobicContact CH2-CB 4.1Å; W131-F140 AromaticContact CH2-CD1 3.67Å; W131-F140 HydrophobicContact CH2-CD1 3.67Å; W131-F140 AromaticContact CH2-CD2 3.71Å; W131-F140 HydrophobicContact CH2-CD2 3.71Å; W131-F140 HydrophobicContact CH2-CE1 4Å; W131-F140 HydrophobicContact CH2-CE2 4.04Å; W131-F140 AromaticContact CH2-CG 3.52Å; W131-F140 HydrophobicContact CH2-CG 3.52Å; W131-F140 HydrophobicContact CH2-CZ 4.19Å; W131-F140 HydrophobicContact CZ3-CB 3.91Å; W131-F140 HydrophobicContact CZ3-CD1 4.35Å; W131-F140 AromaticContact CZ3-CD2 3.96Å; W131-F140 HydrophobicContact CZ3-CD2 3.96Å; W131-F140 AromaticContact CZ3-CG 3.8Å; W131-F140 HydrophobicContact CZ3-CG 3.8Å; W131-L156 VanDerWaalsContact CD1-O 3.24Å; W131-L156 HydrophobicContact CD2-CB 3.66Å; W131-L156 HydrophobicContact CD2-CD1 3.95Å; W131-L156 HydrophobicContact CD2-CG 4.33Å; W131-L156 HydrophobicContact CE3-CB 4.28Å; W131-L156 HydrophobicContact CE3-CD1 3.67Å; W131-L156 HydrophobicContact CG-CB 3.83Å; W131-L156 HydrophobicContact CH2-CD1 4.17Å; W131-L156 HydrophobicContact CZ2-CB 4.05Å; W131-L156 HydrophobicContact CZ2-CD1 4.41Å; W131-L156 HydrophobicContact CZ3-CD1 3.8Å; W131-N157 PolarHBondContact NE1-OD1 3.48Å |
| 132 | R | 98.2 | Very high | 97.9 | Very high | 178 Ų | 178 | 42.5 Ų | 42.5 | 67% | 0.672 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79 | -10.4 | 176.8 | -70.5 | 174.5 | 176.3 | -162.1 | -6.3 | 114.3 | K128 R129 L130 | K128-R132 VanDerWaalsContact O-CG 3.3Å; K128-R132 WeakPolarHBondContact O-CG 3.26Å; K128-R132 PolarHBondContact O-N 3.39Å; R129-R132 PolarHBondContact O-N 3.48Å; L130-R132 PolarHBondContact O-N 2.95Å |
| 133 | D | 98.6 | Very high | 97.9 | Very high | 7 Ų | 7 | 38.4 Ų | 38.4 | 4% | 0.037 | 20% | 0.204 | C | C | . | . | trans | -68.9 | 138.8 | -178.5 | 179.7 | 74.5 | 0 | 0 | 0 | 112 | F95 G96 E97 R100 R129 L130 W131 G135 V136 Q137 | F95-D133 WeakPolarHBondContact CA-OD2 3.13Å; G96-D133 VanDerWaalsContact CA-OD1 3.29Å; G96-D133 WeakPolarHBondContact CA-OD1 3.34Å; G96-D133 VanDerWaalsContact N-CG 3.3Å; G96-D133 PolarHBondContact N-OD1 3.23Å; G96-D133 PolarHBondContact N-OD2 3.28Å; E97-D133 PolarHBondContact N-OD1 2.95Å; R100-D133 HydrophobicContact CG-CB 3.94Å; R100-D133 WeakPolarHBondContact CG-OD1 3.34Å; R129-D133 PolarHBondContact O-N 3.31Å; L130-D133 VanDerWaalsContact O-CB 3.22Å; L130-D133 WeakPolarHBondContact O-CB 3.23Å; L130-D133 PolarHBondContact O-N 2.98Å; W131-D133 VanDerWaalsContact C-N 3.31Å; D133-G135 VanDerWaalsContact C-N 3.33Å; D133-G135 PolarHBondContact O-N 3.2Å; D133-G135 VanDerWaalsContact OD2-CA 3.29Å; D133-G135 WeakPolarHBondContact OD2-CA 3.35Å; D133-G135 PolarHBondContact OD2-N 3.05Å; D133-V136 HydrophobicContact CB-CB 4.09Å; D133-V136 HydrophobicContact CB-CG2 3.87Å; D133-V136 PolarHBondContact O-N 3.11Å; D133-V136 PolarHBondContact OD2-N 3.39Å; D133-V136 VanDerWaalsContact OD2-N 3.11Å; D133-Q137 WeakPolarHBondContact O-CG 3.45Å; D133-Q137 PolarHBondContact O-N 2.83Å | ||
| 134 | G | 98.4 | Very high | 97.9 | Very high | 51 Ų | 51 | 43.3 Ų | 43.3 | 53% | 0.526 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.9 | -36.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | A138 | G134-A138 WeakPolarHBondContact O-CB 3.44Å; G134-A138 PolarHBondContact O-N 3.42Å |
| 135 | G | 98.6 | Very high | 97.8 | Very high | 6 Ų | 6 | 47.1 Ų | 47.1 | 6% | 0.062 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.3 | -40.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | I93 D94 D133 A138 C139 | I93-G135 WeakPolarHBondContact CG2-O 3.49Å; D94-G135 VanDerWaalsContact O-CA 3.28Å; D94-G135 WeakPolarHBondContact O-CA 3.2Å; D133-G135 VanDerWaalsContact C-N 3.33Å; D133-G135 PolarHBondContact O-N 3.2Å; D133-G135 VanDerWaalsContact OD2-CA 3.29Å; D133-G135 WeakPolarHBondContact OD2-CA 3.35Å; D133-G135 PolarHBondContact OD2-N 3.05Å; G135-A138 PolarHBondContact O-N 3.35Å; G135-C139 PolarHBondContact O-N 3.03Å |
| 136 | V | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.8 | -44.9 | 173.9 | 176.3 | 0 | 0 | 0 | 0 | 110.9 | I81 I84 I85 M88 F95 L130 W131 D133 A138 C139 F140 | I81-V136 HydrophobicContact CD1-CG1 4.21Å; I84-V136 HydrophobicContact CG2-CG1 3.85Å; I85-V136 HydrophobicContact CD1-CG2 3.77Å; M88-V136 HydrophobicContact CE-CG2 4.16Å; M88-V136 HydrophobicContact SD-CB 4.26Å; M88-V136 HydrophobicContact SD-CG2 3.53Å; M88-V136 VanDerWaalsContact SD-CG2 3.53Å; F95-V136 HydrophobicContact CD1-CG2 4.06Å; F95-V136 HydrophobicContact CE1-CG2 3.94Å; L130-V136 WeakPolarHBondContact O-CB 3.09Å; L130-V136 WeakPolarHBondContact O-CG1 3.23Å; L130-V136 WeakPolarHBondContact O-CG2 3.48Å; W131-V136 HydrophobicContact CE3-CG1 4.11Å; D133-V136 HydrophobicContact CB-CB 4.09Å; D133-V136 HydrophobicContact CB-CG2 3.87Å; D133-V136 PolarHBondContact O-N 3.11Å; D133-V136 PolarHBondContact OD2-N 3.39Å; D133-V136 VanDerWaalsContact OD2-N 3.11Å; V136-A138 PolarHBondContact O-N 2.94Å; V136-C139 WeakPolarHBondContact O-CB 3.37Å; V136-C139 PolarHBondContact O-N 2.7Å; V136-F140 PolarHBondContact O-N 3.46Å |
| 137 | Q | 98.6 | Very high | 97.8 | Very high | 70 Ų | 70 | 49.7 Ų | 49.7 | 33% | 0.327 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.7 | -38.7 | 175.2 | -72.7 | -62.2 | -44.6 | 0 | 0 | 112.4 | W131 D133 C139 F140 S141 | W131-Q137 VanDerWaalsContact CD2-NE2 3.26Å; W131-Q137 VanDerWaalsContact CE3-NE2 3.33Å; W131-Q137 PolarHBondContact O-NE2 3.37Å; D133-Q137 WeakPolarHBondContact O-CG 3.45Å; D133-Q137 PolarHBondContact O-N 2.83Å; Q137-C139 VanDerWaalsContact C-N 3.31Å; Q137-C139 PolarHBondContact O-N 2.8Å; Q137-F140 PolarHBondContact O-N 3.16Å; Q137-S141 PolarHBondContact O-N 3.26Å |
| 138 | A | 98.3 | Very high | 97.7 | Very high | 42 Ų | 42 | 50.9 Ų | 50.9 | 35% | 0.347 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.2 | -33 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I93 G134 G135 V136 S141 | I93-A138 HydrophobicContact CG2-CB 4.45Å; G134-A138 WeakPolarHBondContact O-CB 3.44Å; G134-A138 PolarHBondContact O-N 3.42Å; G135-A138 PolarHBondContact O-N 3.35Å; V136-A138 PolarHBondContact O-N 2.94Å; A138-S141 PolarHBondContact O-OG 3.4Å |
| 139 | C | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -73.3 | -36.7 | 172.5 | -171 | 0 | 0 | 0 | 0 | 112.2 | I84 M88 I93 G135 V136 Q137 R142 Y146 | I84-C139 HydrophobicContact CG2-CB 4.12Å; M88-C139 HydrophobicContact CG-CB 3.46Å; M88-C139 VanDerWaalsContact CG-CB 3.46Å; M88-C139 VanDerWaalsContact CG-SG 3.56Å; M88-C139 PolarHBondContact N-SG 3.46Å; M88-C139 VanDerWaalsContact N-SG 3.44Å; M88-C139 HydrophobicContact SD-CB 4.47Å; I93-C139 HydrophobicContact CD1-CB 3.68Å; G135-C139 PolarHBondContact O-N 3.03Å; V136-C139 WeakPolarHBondContact O-CB 3.37Å; V136-C139 PolarHBondContact O-N 2.7Å; Q137-C139 VanDerWaalsContact C-N 3.31Å; Q137-C139 PolarHBondContact O-N 2.8Å; C139-R142 CarbonylContact O-C 3.25Å; C139-R142 PolarHBondContact O-N 2.84Å; C139-Y146 WeakPolarHBondContact O-CE1 3.49Å; C139-Y146 PolarHBondContact O-OH 3.28Å |
| 140 | F | 98.3 | Very high | 97.4 | Very high | 49 Ų | 49 | 47.9 Ų | 47.9 | 22% | 0.215 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.6 | -38.9 | 175.1 | 177.4 | -106.8 | 0 | 0 | 0 | 112.2 | I84 W131 V136 Q137 R142 S143 Y146 L148 A152 | I84-F140 HydrophobicContact CD1-CD2 4.1Å; W131-F140 HydrophobicContact CH2-CB 4.1Å; W131-F140 AromaticContact CH2-CD1 3.67Å; W131-F140 HydrophobicContact CH2-CD1 3.67Å; W131-F140 AromaticContact CH2-CD2 3.71Å; W131-F140 HydrophobicContact CH2-CD2 3.71Å; W131-F140 HydrophobicContact CH2-CE1 4Å; W131-F140 HydrophobicContact CH2-CE2 4.04Å; W131-F140 AromaticContact CH2-CG 3.52Å; W131-F140 HydrophobicContact CH2-CG 3.52Å; W131-F140 HydrophobicContact CH2-CZ 4.19Å; W131-F140 HydrophobicContact CZ3-CB 3.91Å; W131-F140 HydrophobicContact CZ3-CD1 4.35Å; W131-F140 AromaticContact CZ3-CD2 3.96Å; W131-F140 HydrophobicContact CZ3-CD2 3.96Å; W131-F140 AromaticContact CZ3-CG 3.8Å; W131-F140 HydrophobicContact CZ3-CG 3.8Å; V136-F140 PolarHBondContact O-N 3.46Å; Q137-F140 PolarHBondContact O-N 3.16Å; F140-R142 PolarHBondContact O-N 3.05Å; F140-R142 VanDerWaalsContact O-N 3.13Å; F140-S143 WeakPolarHBondContact O-CB 3.24Å; F140-S143 PolarHBondContact O-N 3.2Å; F140-S143 PolarHBondContact O-OG 3.45Å; F140-Y146 WeakPolarHBondContact CA-OH 3.46Å; F140-L148 HydrophobicContact CD2-CD2 3.57Å; F140-L148 HydrophobicContact CE2-CD2 3.59Å; F140-A152 HydrophobicContact CE2-CB 4.45Å |
| 141 | S | 96.8 | Very high | 97.2 | Very high | 84 Ų | 84 | 48.6 Ų | 48.6 | 59% | 0.587 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -18.5 | 176.2 | 72.5 | 0 | 0 | 0 | 0 | 113.7 | Q137 A138 | Q137-S141 PolarHBondContact O-N 3.26Å; A138-S141 PolarHBondContact O-OG 3.4Å |
| 142 | R | 96.7 | Very high | 97.2 | Very high | 88 Ų | 88 | 47.9 Ų | 47.9 | 33% | 0.332 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 20.6 | 174.2 | -65.5 | 175.6 | 65.6 | -173.5 | 0.2 | 112.9 | L91 C139 F140 R144 E145 Y146 | L91-R142 HydrophobicContact CD1-CB 4.22Å; C139-R142 CarbonylContact O-C 3.25Å; C139-R142 PolarHBondContact O-N 2.84Å; F140-R142 PolarHBondContact O-N 3.05Å; F140-R142 VanDerWaalsContact O-N 3.13Å; R142-R144 PolarHBondContact O-N 3.06Å; R142-E145 WeakPolarHBondContact CB-OE1 3.34Å; R142-E145 IonicContact CZ-OE1 3.14Å; R142-E145 IonicContact CZ-OE2 2.83Å; R142-E145 IonicContact NE-OE1 3.15Å; R142-E145 PolarHBondContact NE-OE1 3.07Å; R142-E145 IonicContact NE-OE2 3.48Å; R142-E145 IonicContact NH2-OE1 2.66Å; R142-E145 PolarHBondContact NH2-OE1 3.01Å; R142-E145 IonicContact NH2-OE2 3.81Å; R142-E145 PolarHBondContact NH2-OE2 2.8Å; R142-E145 WeakPolarHBondContact O-CB 3.32Å; R142-E145 PolarHBondContact O-N 3.45Å; R142-Y146 WeakPolarHBondContact O-CE1 3.29Å |
| 143 | S | 96.7 | Very high | 97.2 | Very high | 36 Ų | 36 | 41.2 Ų | 41.2 | 25% | 0.252 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -60.2 | -9.5 | -176.6 | 67.4 | 0 | 0 | 0 | 0 | 115.5 | F140 E145 | F140-S143 WeakPolarHBondContact O-CB 3.24Å; F140-S143 PolarHBondContact O-N 3.2Å; F140-S143 PolarHBondContact O-OG 3.45Å; S143-E145 VanDerWaalsContact C-N 3.26Å |
| 144 | R | 94.8 | Very high | 97.2 | Very high | 104 Ų | 104 | 43.5 Ų | 43.5 | 39% | 0.392 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -71.8 | -19.6 | 170.4 | 72 | 177.4 | -174.4 | -173.6 | 3.9 | 113.8 | R142 Y146 L232 S281 | R142-R144 PolarHBondContact O-N 3.06Å; R144-Y146 VanDerWaalsContact C-N 3.3Å; R144-L232 HydrophobicContact CB-CD2 3.83Å; R144-S281 PolarHBondContact NH1-OG 3.13Å |
| 145 | E | 96.1 | Very high | 97.2 | Very high | 85 Ų | 85 | 41.1 Ų | 41.1 | 40% | 0.397 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -87.6 | 1.3 | -176.4 | -60.8 | 177 | -129.7 | 0 | 0 | 112.9 | L91 R142 S143 | L91-E145 HydrophobicContact CD1-CB 4.34Å; L91-E145 HydrophobicContact CD2-CB 4.2Å; L91-E145 WeakPolarHBondContact CD2-OE2 3.21Å; R142-E145 WeakPolarHBondContact CB-OE1 3.34Å; R142-E145 IonicContact CZ-OE1 3.14Å; R142-E145 IonicContact CZ-OE2 2.83Å; R142-E145 IonicContact NE-OE1 3.15Å; R142-E145 PolarHBondContact NE-OE1 3.07Å; R142-E145 IonicContact NE-OE2 3.48Å; R142-E145 IonicContact NH2-OE1 2.66Å; R142-E145 PolarHBondContact NH2-OE1 3.01Å; R142-E145 IonicContact NH2-OE2 3.81Å; R142-E145 PolarHBondContact NH2-OE2 2.8Å; R142-E145 WeakPolarHBondContact O-CB 3.32Å; R142-E145 PolarHBondContact O-N 3.45Å; S143-E145 VanDerWaalsContact C-N 3.26Å |
| 146 | Y | 97.3 | Very high | 97.2 | Very high | 13 Ų | 13 | 41 Ų | 41 | 5% | 0.051 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -156.2 | 167.2 | 177.2 | 58.4 | -84 | 0 | 0 | 0 | 111 | I84 A87 L91 C139 F140 R142 R144 L148 | I84-Y146 HydrophobicContact CG1-CE2 4.23Å; A87-Y146 HydrophobicContact CB-CD1 3.41Å; A87-Y146 VanDerWaalsContact CB-CD1 3.41Å; A87-Y146 HydrophobicContact CB-CD2 3.63Å; A87-Y146 HydrophobicContact CB-CE1 3.54Å; A87-Y146 HydrophobicContact CB-CE2 3.76Å; A87-Y146 HydrophobicContact CB-CG 3.45Å; A87-Y146 VanDerWaalsContact CB-CG 3.45Å; L91-Y146 HydrophobicContact CD1-CD1 4.13Å; L91-Y146 HydrophobicContact CD1-CE1 4.19Å; C139-Y146 WeakPolarHBondContact O-CE1 3.49Å; C139-Y146 PolarHBondContact O-OH 3.28Å; F140-Y146 WeakPolarHBondContact CA-OH 3.46Å; R142-Y146 WeakPolarHBondContact O-CE1 3.29Å; R144-Y146 VanDerWaalsContact C-N 3.3Å; Y146-L148 HydrophobicContact CD2-CB 4.2Å; Y146-L148 HydrophobicContact CE2-CB 3.89Å; Y146-L148 HydrophobicContact CE2-CD1 4.43Å; Y146-L148 HydrophobicContact CE2-CD2 4.14Å; Y146-L148 HydrophobicContact CE2-CG 4.38Å; Y146-L148 PolarHBondContact O-N 2.83Å |
| 147 | Q | 97 | Very high | 97.1 | Very high | 64 Ų | 64 | 46.5 Ų | 46.5 | 30% | 0.299 | 24% | 0.239 | S | C | . | . | trans | -77.9 | 117.5 | 179 | -56.5 | -60.5 | -33.9 | 0 | 0 | 110.5 | V233 A235 | Q147-V233 PolarHBondContact NE2-O 3.45Å; Q147-V233 VanDerWaalsContact NE2-O 3.12Å; Q147-A235 HydrophobicContact CG-CB 4.17Å | ||
| 148 | L | 97.5 | Very high | 97.1 | Very high | 24 Ų | 24 | 45.8 Ų | 45.8 | 13% | 0.126 | 24% | 0.238 | C | C | . | . | trans | -140.1 | 138.7 | 176.4 | -174 | 63.4 | 0 | 0 | 0 | 110.2 | A83 I84 F140 Y146 A152 | A83-L148 HydrophobicContact CB-CD1 4.12Å; I84-L148 HydrophobicContact CD1-CD1 4.22Å; I84-L148 HydrophobicContact CD1-CD2 4.21Å; I84-L148 HydrophobicContact CG1-CD1 3.89Å; I84-L148 HydrophobicContact CG1-CD2 4Å; F140-L148 HydrophobicContact CD2-CD2 3.57Å; F140-L148 HydrophobicContact CE2-CD2 3.59Å; Y146-L148 HydrophobicContact CD2-CB 4.2Å; Y146-L148 HydrophobicContact CE2-CB 3.89Å; Y146-L148 HydrophobicContact CE2-CD1 4.43Å; Y146-L148 HydrophobicContact CE2-CD2 4.14Å; Y146-L148 HydrophobicContact CE2-CG 4.38Å; Y146-L148 PolarHBondContact O-N 2.83Å; L148-A152 HydrophobicContact CD1-CB 3.9Å; L148-A152 HydrophobicContact CD2-CB 4.09Å; L148-A152 HydrophobicContact CG-CB 3.93Å | ||
| 149 | N | 94.3 | Very high | 97 | Very high | 36 Ų | 36 | 44 Ų | 44 | 19% | 0.193 | 22% | 0.223 | C | C | . | . | trans | -69.4 | 136.5 | 176.3 | -68.9 | -34.9 | 0 | 0 | 0 | 110.8 | S151 A152 | N149-S151 PolarHBondContact O-N 2.84Å; N149-S151 VanDerWaalsContact O-N 3.15Å; N149-A152 WeakPolarHBondContact O-CB 3.25Å; N149-A152 PolarHBondContact O-N 2.79Å | ||
| 150 | D | 94.1 | Very high | 96.9 | Very high | 54 Ų | 54 | 48.2 Ų | 48.2 | 29% | 0.289 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -31.5 | 177 | -64.2 | -32.5 | 0 | 0 | 0 | 113.2 | A152 K270 L273 | D150-A152 PolarHBondContact O-N 3.02Å; D150-K270 VanDerWaalsContact OD2-CE 3.27Å; D150-K270 WeakPolarHBondContact OD2-CE 3.4Å; D150-K270 IonicContact OD2-NZ 3.61Å; D150-K270 PolarHBondContact OD2-NZ 3.49Å; D150-L273 HydrophobicContact CB-CD1 3.69Å |
| 151 | S | 96.3 | Very high | 96.8 | Very high | 15 Ų | 15 | 48.8 Ų | 48.8 | 11% | 0.105 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | 0.1 | 177.4 | -52.6 | 0 | 0 | 0 | 0 | 114.4 | N149 S153 Y154 Y155 R176 | N149-S151 PolarHBondContact O-N 2.84Å; N149-S151 VanDerWaalsContact O-N 3.15Å; S151-S153 PolarHBondContact O-N 2.82Å; S151-Y154 WeakPolarHBondContact O-CB 3.34Å; S151-Y154 PolarHBondContact O-N 3.42Å; S151-Y155 VanDerWaalsContact O-CD2 3.29Å; S151-Y155 WeakPolarHBondContact O-CD2 3.39Å; S151-Y155 PolarHBondContact O-N 2.97Å; S151-R176 VanDerWaalsContact CB-O 3.28Å; S151-R176 WeakPolarHBondContact CB-O 3.43Å; S151-R176 PolarHBondContact OG-O 3.48Å |
| 152 | A | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -55.6 | -53.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F140 L148 N149 D150 Y154 Y155 L156 | F140-A152 HydrophobicContact CE2-CB 4.45Å; L148-A152 HydrophobicContact CD1-CB 3.9Å; L148-A152 HydrophobicContact CD2-CB 4.09Å; L148-A152 HydrophobicContact CG-CB 3.93Å; N149-A152 WeakPolarHBondContact O-CB 3.25Å; N149-A152 PolarHBondContact O-N 2.79Å; D150-A152 PolarHBondContact O-N 3.02Å; A152-Y154 VanDerWaalsContact C-N 3.33Å; A152-Y154 PolarHBondContact O-N 2.76Å; A152-Y155 PolarHBondContact O-N 2.81Å; A152-L156 HydrophobicContact CB-CD1 4.39Å; A152-L156 VanDerWaalsContact O-CB 3.28Å; A152-L156 WeakPolarHBondContact O-CB 3.31Å; A152-L156 WeakPolarHBondContact O-CD1 3.44Å; A152-L156 WeakPolarHBondContact O-CG 3.35Å; A152-L156 PolarHBondContact O-N 3.06Å |
| 153 | S | 97.5 | Very high | 96.7 | Very high | 38 Ų | 38 | 42.1 Ų | 42.1 | 27% | 0.266 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.8 | -38.6 | -179.9 | 56.5 | 0 | 0 | 0 | 0 | 112.3 | S151 Y155 L156 N157 | S151-S153 PolarHBondContact O-N 2.82Å; S153-Y155 PolarHBondContact O-N 2.89Å; S153-L156 PolarHBondContact O-N 3.13Å; S153-N157 WeakPolarHBondContact O-CB 3.26Å; S153-N157 PolarHBondContact O-N 3.45Å; S153-N157 PolarHBondContact O-ND2 3.5Å; S153-N157 VanDerWaalsContact O-ND2 3.15Å |
| 154 | Y | 98.1 | Very high | 96.6 | Very high | 55 Ų | 55 | 45 Ų | 45 | 22% | 0.216 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -55.2 | -51.2 | 178.2 | 173.3 | -94.6 | 0 | 0 | 0 | 111.5 | S151 A152 Q172 D173 R176 | S151-Y154 WeakPolarHBondContact O-CB 3.34Å; S151-Y154 PolarHBondContact O-N 3.42Å; A152-Y154 VanDerWaalsContact C-N 3.33Å; A152-Y154 PolarHBondContact O-N 2.76Å; Y154-Q172 HydrophobicContact CE2-CG 4.18Å; Y154-D173 VanDerWaalsContact CE1-OD1 3.23Å; Y154-D173 WeakPolarHBondContact CE1-OD1 3.4Å; Y154-D173 PolarHBondContact OH-OD1 3.07Å; Y154-R176 HydrophobicContact CD1-CB 3.92Å; Y154-R176 HydrophobicContact CD1-CG 3.84Å; Y154-R176 HydrophobicContact CD2-CG 4.32Å; Y154-R176 HydrophobicContact CE1-CB 4.01Å; Y154-R176 HydrophobicContact CE1-CG 3.89Å; Y154-R176 HydrophobicContact CE2-CG 4.35Å; Y154-R176 HydrophobicContact CG-CG 4.07Å |
| 155 | Y | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -76.4 | -40.8 | -179.8 | -65 | -57.6 | 0 | 0 | 0 | 113.4 | V73 N76 T77 S151 A152 S153 N157 D158 L159 D173 R176 T177 | V73-Y155 HydrophobicContact CB-CE1 4.32Å; V73-Y155 HydrophobicContact CG1-CD1 3.77Å; V73-Y155 HydrophobicContact CG1-CE1 3.57Å; V73-Y155 HydrophobicContact CG2-CE1 4.04Å; N76-Y155 HydrophobicContact CB-CE2 4.34Å; T77-Y155 VanDerWaalsContact OG1-CB 3.31Å; T77-Y155 WeakPolarHBondContact OG1-CB 3.48Å; S151-Y155 VanDerWaalsContact O-CD2 3.29Å; S151-Y155 WeakPolarHBondContact O-CD2 3.39Å; S151-Y155 PolarHBondContact O-N 2.97Å; A152-Y155 PolarHBondContact O-N 2.81Å; S153-Y155 PolarHBondContact O-N 2.89Å; Y155-N157 VanDerWaalsContact C-N 3.31Å; Y155-N157 PolarHBondContact O-N 3.09Å; Y155-D158 CarbonylContact O-C 3.59Å; Y155-D158 PolarHBondContact O-N 3.27Å; Y155-D158 VanDerWaalsContact O-N 3.12Å; Y155-L159 PolarHBondContact O-N 2.82Å; Y155-D173 HydrophobicContact CE1-CB 4.27Å; Y155-D173 PolarHBondContact OH-O 3.49Å; Y155-R176 HydrophobicContact CE2-CB 4.34Å; Y155-R176 WeakPolarHBondContact OH-CB 3.48Å; Y155-R176 PolarHBondContact OH-O 2.91Å; Y155-T177 WeakPolarHBondContact OH-CG2 3.28Å; Y155-T177 PolarHBondContact OH-N 2.69Å; Y155-T177 VanDerWaalsContact OH-N 3.13Å |
| 156 | L | 98.4 | Very high | 96.4 | Very high | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.6 | -32.5 | -176.9 | -67.4 | 169.8 | 0 | 0 | 0 | 112.2 | T77 I81 I84 I127 W131 A152 S153 D158 L159 | T77-L156 HydrophobicContact CG2-CD2 3.9Å; I81-L156 HydrophobicContact CB-CD2 4.06Å; I84-L156 HydrophobicContact CD1-CD1 3.97Å; I127-L156 HydrophobicContact CG2-CD2 3.65Å; W131-L156 VanDerWaalsContact CD1-O 3.24Å; W131-L156 HydrophobicContact CD2-CB 3.66Å; W131-L156 HydrophobicContact CD2-CD1 3.95Å; W131-L156 HydrophobicContact CD2-CG 4.33Å; W131-L156 HydrophobicContact CE3-CB 4.28Å; W131-L156 HydrophobicContact CE3-CD1 3.67Å; W131-L156 HydrophobicContact CG-CB 3.83Å; W131-L156 HydrophobicContact CH2-CD1 4.17Å; W131-L156 HydrophobicContact CZ2-CB 4.05Å; W131-L156 HydrophobicContact CZ2-CD1 4.41Å; W131-L156 HydrophobicContact CZ3-CD1 3.8Å; A152-L156 HydrophobicContact CB-CD1 4.39Å; A152-L156 VanDerWaalsContact O-CB 3.28Å; A152-L156 WeakPolarHBondContact O-CB 3.31Å; A152-L156 WeakPolarHBondContact O-CD1 3.44Å; A152-L156 WeakPolarHBondContact O-CG 3.35Å; A152-L156 PolarHBondContact O-N 3.06Å; S153-L156 PolarHBondContact O-N 3.13Å; L156-D158 VanDerWaalsContact C-N 3.27Å; L156-D158 PolarHBondContact O-N 2.72Å; L156-L159 HydrophobicContact CD2-CD1 4.19Å; L156-L159 WeakPolarHBondContact O-CD1 3.39Å; L156-L159 WeakPolarHBondContact O-CG 3.4Å |
| 157 | N | 98.1 | Very high | 96.3 | Very high | 116 Ų | 116 | 47 Ų | 47 | 62% | 0.62 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -70.4 | -24.4 | 174 | -71.2 | -19.7 | 0 | 0 | 0 | 113 | W131 S153 Y155 | W131-N157 PolarHBondContact NE1-OD1 3.48Å; S153-N157 WeakPolarHBondContact O-CB 3.26Å; S153-N157 PolarHBondContact O-N 3.45Å; S153-N157 PolarHBondContact O-ND2 3.5Å; S153-N157 VanDerWaalsContact O-ND2 3.15Å; Y155-N157 VanDerWaalsContact C-N 3.31Å; Y155-N157 PolarHBondContact O-N 3.09Å |
| 158 | D | 97.4 | Very high | 96.3 | Very high | 55 Ų | 55 | 46.9 Ų | 46.9 | 29% | 0.294 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 22.8 | -173.4 | -150.5 | 2.1 | 0 | 0 | 0 | 112.8 | Y155 L156 D160 R161 I162 | Y155-D158 CarbonylContact O-C 3.59Å; Y155-D158 PolarHBondContact O-N 3.27Å; Y155-D158 VanDerWaalsContact O-N 3.12Å; L156-D158 VanDerWaalsContact C-N 3.27Å; L156-D158 PolarHBondContact O-N 2.72Å; D158-D160 PolarHBondContact O-N 3.07Å; D158-D160 VanDerWaalsContact O-N 3.12Å; D158-R161 VanDerWaalsContact CG-NE 3.34Å; D158-R161 PolarHBondContact O-N 3.38Å; D158-R161 VanDerWaalsContact OD1-CB 3.27Å; D158-R161 WeakPolarHBondContact OD1-CB 3.21Å; D158-R161 IonicContact OD1-NE 2.9Å; D158-R161 IonicContact OD2-CZ 2.86Å; D158-R161 IonicContact OD2-NE 2.85Å; D158-R161 PolarHBondContact OD2-NE 3.11Å; D158-R161 IonicContact OD2-NH2 3.35Å; D158-R161 PolarHBondContact OD2-NH2 3.29Å; D158-I162 PolarHBondContact O-N 3.39Å; D158-I162 VanDerWaalsContact O-N 3.08Å |
| 159 | L | 96.8 | Very high | 96.3 | Very high | 6 Ų | 6 | 46 Ų | 46 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -51.9 | -35.1 | 179.9 | -87.7 | 164.5 | 0 | 0 | 0 | 113.2 | T77 I127 K128 Y155 L156 R161 I162 S163 | T77-L159 HydrophobicContact CG2-CD2 3.99Å; I127-L159 HydrophobicContact CB-CD1 4.19Å; I127-L159 HydrophobicContact CG2-CD1 3.47Å; I127-L159 VanDerWaalsContact CG2-CD1 3.47Å; I127-L159 HydrophobicContact CG2-CD2 4.14Å; I127-L159 HydrophobicContact CG2-CG 4.45Å; K128-L159 HydrophobicContact CB-CD1 4.41Å; Y155-L159 PolarHBondContact O-N 2.82Å; L156-L159 HydrophobicContact CD2-CD1 4.19Å; L156-L159 WeakPolarHBondContact O-CD1 3.39Å; L156-L159 WeakPolarHBondContact O-CG 3.4Å; L159-R161 VanDerWaalsContact C-N 3.29Å; L159-R161 PolarHBondContact O-N 2.68Å; L159-I162 HydrophobicContact CD2-CD1 3.95Å; L159-I162 HydrophobicContact CD2-CG1 4.21Å; L159-I162 HydrophobicContact CG-CD1 4.48Å; L159-I162 PolarHBondContact O-N 2.97Å; L159-S163 WeakPolarHBondContact O-CB 3.21Å; L159-S163 PolarHBondContact O-N 3.25Å; L159-S163 PolarHBondContact O-OG 2.78Å |
| 160 | D | 96 | Very high | 96.5 | Very high | 88 Ų | 88 | 47.2 Ų | 47.2 | 47% | 0.471 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.5 | -31.1 | 179.6 | -75.1 | -30 | 0 | 0 | 0 | 113.1 | K128 D158 Q164 | K128-D160 WeakPolarHBondContact CE-OD1 3.3Å; K128-D160 WeakPolarHBondContact CE-OD2 3.09Å; K128-D160 IonicContact NZ-OD1 2.68Å; K128-D160 PolarHBondContact NZ-OD1 3.48Å; K128-D160 IonicContact NZ-OD2 3.3Å; K128-D160 PolarHBondContact NZ-OD2 2.96Å; D158-D160 PolarHBondContact O-N 3.07Å; D158-D160 VanDerWaalsContact O-N 3.12Å; D160-Q164 VanDerWaalsContact O-CG 3.3Å; D160-Q164 WeakPolarHBondContact O-CG 3.47Å |
| 161 | R | 97.1 | Very high | 96.6 | Very high | 60 Ų | 60 | 47.8 Ų | 47.8 | 23% | 0.226 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -81.5 | -48.4 | 173.7 | -177.7 | 179.4 | 60.8 | 87.1 | 3.1 | 111.1 | D158 L159 S163 Q164 Y167 D173 | D158-R161 VanDerWaalsContact CG-NE 3.34Å; D158-R161 PolarHBondContact O-N 3.38Å; D158-R161 VanDerWaalsContact OD1-CB 3.27Å; D158-R161 WeakPolarHBondContact OD1-CB 3.21Å; D158-R161 IonicContact OD1-NE 2.9Å; D158-R161 IonicContact OD2-CZ 2.86Å; D158-R161 IonicContact OD2-NE 2.85Å; D158-R161 PolarHBondContact OD2-NE 3.11Å; D158-R161 IonicContact OD2-NH2 3.35Å; D158-R161 PolarHBondContact OD2-NH2 3.29Å; L159-R161 VanDerWaalsContact C-N 3.29Å; L159-R161 PolarHBondContact O-N 2.68Å; R161-S163 VanDerWaalsContact C-N 3.31Å; R161-S163 PolarHBondContact O-N 2.87Å; R161-Q164 WeakPolarHBondContact O-CG 3.31Å; R161-Q164 PolarHBondContact O-N 3.27Å; R161-Y167 VanDerWaalsContact NH1-CE2 3.3Å; R161-D173 IonicContact CZ-OD1 3.5Å; R161-D173 IonicContact CZ-OD2 3.73Å; R161-D173 IonicContact NH1-OD1 3.62Å; R161-D173 IonicContact NH1-OD2 3.75Å; R161-D173 PolarHBondContact NH1-OD2 2.86Å; R161-D173 IonicContact NH2-OD1 3.45Å; R161-D173 PolarHBondContact NH2-OD1 3.4Å; R161-D173 IonicContact NH2-OD2 2.68Å |
| 162 | I | 96.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -72.9 | -23.2 | -172.6 | 64.9 | 169.3 | 0 | 0 | 0 | 112.9 | Y74 T77 D158 L159 Q164 Y167 | Y74-I162 HydrophobicContact CE1-CB 4.37Å; Y74-I162 WeakPolarHBondContact CE1-O 3.41Å; Y74-I162 VanDerWaalsContact CZ-O 3.28Å; Y74-I162 PolarHBondContact OH-O 2.83Å; T77-I162 HydrophobicContact CG2-CD1 3.93Å; D158-I162 PolarHBondContact O-N 3.39Å; D158-I162 VanDerWaalsContact O-N 3.08Å; L159-I162 HydrophobicContact CD2-CD1 3.95Å; L159-I162 HydrophobicContact CD2-CG1 4.21Å; L159-I162 HydrophobicContact CG-CD1 4.48Å; L159-I162 PolarHBondContact O-N 2.97Å; I162-Q164 VanDerWaalsContact C-N 3.34Å; I162-Y167 HydrophobicContact CB-CD1 4.25Å; I162-Y167 HydrophobicContact CB-CE1 3.98Å; I162-Y167 HydrophobicContact CB-CE2 4.48Å; I162-Y167 HydrophobicContact CG2-CE1 4.1Å; I162-Y167 HydrophobicContact CG2-CE2 4.01Å; I162-Y167 VanDerWaalsContact O-CD1 3.26Å; I162-Y167 WeakPolarHBondContact O-CD1 3.37Å |
| 163 | S | 95 | Very high | 96.7 | Very high | 32 Ų | 32 | 50.1 Ų | 50.1 | 22% | 0.224 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -1.2 | 177.7 | 63.4 | 0 | 0 | 0 | 0 | 114.6 | A124 L159 R161 | A124-S163 VanDerWaalsContact CB-CB 3.46Å; L159-S163 WeakPolarHBondContact O-CB 3.21Å; L159-S163 PolarHBondContact O-N 3.25Å; L159-S163 PolarHBondContact O-OG 2.78Å; R161-S163 VanDerWaalsContact C-N 3.31Å; R161-S163 PolarHBondContact O-N 2.87Å |
| 164 | Q | 95.2 | Very high | 96.7 | Very high | 97 Ų | 97 | 48.3 Ų | 48.3 | 45% | 0.453 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -66.3 | 141.9 | 175.9 | -62 | -177.6 | -15 | 0 | 0 | 111 | D160 R161 I162 N166 Y167 | D160-Q164 VanDerWaalsContact O-CG 3.3Å; D160-Q164 WeakPolarHBondContact O-CG 3.47Å; R161-Q164 WeakPolarHBondContact O-CG 3.31Å; R161-Q164 PolarHBondContact O-N 3.27Å; I162-Q164 VanDerWaalsContact C-N 3.34Å; Q164-N166 VanDerWaalsContact C-N 3.27Å; Q164-N166 PolarHBondContact O-N 3.45Å; Q164-Y167 WeakPolarHBondContact O-CB 3.45Å; Q164-Y167 PolarHBondContact O-N 3.02Å |
| 165 | S | 91.6 | Very high | 96.7 | Very high | 119 Ų | 119 | 45.8 Ų | 45.8 | 83% | 0.832 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -38.3 | -179.4 | 53.6 | 0 | 0 | 0 | 0 | 112.4 | K70 Y167 | K70-S165 PolarHBondContact NZ-O 3.31Å; S165-Y167 VanDerWaalsContact C-N 3.31Å; S165-Y167 PolarHBondContact O-N 3.49Å |
| 166 | N | 93.8 | Very high | 96.7 | Very high | 116 Ų | 116 | 47.9 Ų | 47.9 | 62% | 0.62 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | 13.2 | 176.1 | 68.9 | -36.6 | 0 | 0 | 0 | 113.7 | Q164 I168 | Q164-N166 VanDerWaalsContact C-N 3.27Å; Q164-N166 PolarHBondContact O-N 3.45Å; N166-I168 PolarHBondContact O-N 2.82Å |
| 167 | Y | 96.1 | Very high | 96.7 | Very high | 9 Ų | 9 | 48.1 Ų | 48.1 | 4% | 0.035 | 26% | 0.256 | C | S | . | . | trans | -58.6 | 126.8 | 177 | 170.4 | -121 | 0 | 0 | 0 | 111.3 | K70 V73 Y74 R161 I162 Q164 S165 P169 D173 | K70-Y167 HydrophobicContact CG-CD1 4.33Å; K70-Y167 PolarHBondContact NZ-O 3.44Å; V73-Y167 HydrophobicContact CG1-CE1 4.13Å; Y74-Y167 AromaticContact CE1-CD1 3.71Å; Y74-Y167 HydrophobicContact CE1-CD1 3.71Å; Y74-Y167 AromaticContact CE1-CE1 3.88Å; Y74-Y167 HydrophobicContact CE1-CE1 3.88Å; Y74-Y167 AromaticContact CZ-CD1 3.9Å; Y74-Y167 WeakPolarHBondContact OH-CD1 3.42Å; R161-Y167 VanDerWaalsContact NH1-CE2 3.3Å; I162-Y167 HydrophobicContact CB-CD1 4.25Å; I162-Y167 HydrophobicContact CB-CE1 3.98Å; I162-Y167 HydrophobicContact CB-CE2 4.48Å; I162-Y167 HydrophobicContact CG2-CE1 4.1Å; I162-Y167 HydrophobicContact CG2-CE2 4.01Å; I162-Y167 VanDerWaalsContact O-CD1 3.26Å; I162-Y167 WeakPolarHBondContact O-CD1 3.37Å; Q164-Y167 WeakPolarHBondContact O-CB 3.45Å; Q164-Y167 PolarHBondContact O-N 3.02Å; S165-Y167 VanDerWaalsContact C-N 3.31Å; S165-Y167 PolarHBondContact O-N 3.49Å; Y167-P169 HydrophobicContact CE1-CG 3.95Å; Y167-P169 WeakPolarHBondContact OH-CA 3.44Å; Y167-D173 PolarHBondContact OH-OD2 2.84Å | ||
| 168 | I | 96.5 | Very high | 96.6 | Very high | 62 Ų | 62 | 45.6 Ų | 45.6 | 32% | 0.318 | 24% | 0.238 | S | C | . | . | trans | -120.1 | 126.4 | 168.6 | -61 | 171.4 | 0 | 0 | 0 | 107.2 | E63 C66 K67 N166 T170 | E63-I168 HydrophobicContact CG-CD1 3.95Å; E63-I168 HydrophobicContact CG-CG2 4.01Å; E63-I168 WeakPolarHBondContact OE1-CD1 3.12Å; C66-I168 HydrophobicContact CB-CG2 4.18Å; K67-I168 HydrophobicContact CG-CG1 4.23Å; K67-I168 HydrophobicContact CG-CG2 4.07Å; N166-I168 PolarHBondContact O-N 2.82Å; I168-T170 PolarHBondContact O-N 2.86Å | ||
| 169 | P | 98.1 | Very high | 96.5 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | trans | -54.7 | 138.7 | 175.7 | -28.6 | 36.8 | 0 | 0 | 0 | 113 | C66 K70 V73 Y167 D173 | C66-P169 VanDerWaalsContact CB-O 3.23Å; C66-P169 WeakPolarHBondContact CB-O 3.49Å; C66-P169 WeakPolarHBondContact O-CB 3.26Å; C66-P169 WeakPolarHBondContact O-CD 3.29Å; C66-P169 WeakPolarHBondContact O-CG 3.09Å; K70-P169 HydrophobicContact CB-CG 4.03Å; V73-P169 HydrophobicContact CG2-CB 4.48Å; V73-P169 HydrophobicContact CG2-CG 4.33Å; Y167-P169 HydrophobicContact CE1-CG 3.95Å; Y167-P169 WeakPolarHBondContact OH-CA 3.44Å; P169-D173 WeakPolarHBondContact CA-OD2 3.49Å; P169-D173 HydrophobicContact CB-CB 3.97Å | ||
| 170 | T | 97.7 | Very high | 96.4 | Very high | 62 Ų | 62 | 51.4 Ų | 51.4 | 38% | 0.38 | 27% | 0.267 | S | S | . | . | trans | -80.6 | 164.5 | 168.2 | 63.8 | 0 | 0 | 0 | 0 | 109.8 | I168 Q172 D173 V174 | I168-T170 PolarHBondContact O-N 2.86Å; T170-Q172 PolarHBondContact O-N 3.48Å; T170-Q172 PolarHBondContact OG1-N 3.35Å; T170-D173 PolarHBondContact N-OD2 2.9Å; T170-D173 WeakPolarHBondContact O-CA 3.46Å; T170-D173 WeakPolarHBondContact O-CB 3.23Å; T170-D173 PolarHBondContact O-N 2.85Å; T170-D173 PolarHBondContact OG1-N 3.31Å; T170-D173 VanDerWaalsContact OG1-N 3.12Å; T170-D173 PolarHBondContact OG1-OD2 3.38Å; T170-D173 VanDerWaalsContact OG1-OD2 3.07Å; T170-V174 WeakPolarHBondContact O-CG2 3.23Å; T170-V174 PolarHBondContact O-N 3.17Å | ||
| 171 | Q | 97.4 | Very high | 96.4 | Very high | 67 Ų | 67 | 48.5 Ų | 48.5 | 31% | 0.313 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -57.5 | -30.6 | 170.7 | -61.2 | -169.6 | 25.1 | 0 | 0 | 112 | I55 Y61 V174 L175 | I55-Q171 HydrophobicContact CD1-CB 4.16Å; I55-Q171 VanDerWaalsContact CG1-OE1 3.28Å; Y61-Q171 HydrophobicContact CD2-CG 4.42Å; Q171-V174 WeakPolarHBondContact O-CB 3.46Å; Q171-V174 PolarHBondContact O-N 3.23Å; Q171-L175 WeakPolarHBondContact O-CG 3.36Å; Q171-L175 PolarHBondContact O-N 3.5Å |
| 172 | Q | 97.6 | Very high | 96.3 | Very high | 63 Ų | 63 | 50.2 Ų | 50.2 | 29% | 0.294 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.8 | -39.3 | 174.4 | -166.1 | 62.1 | 18.8 | 0 | 0 | 112.4 | Y154 T170 L175 R176 T327 | Y154-Q172 HydrophobicContact CE2-CG 4.18Å; T170-Q172 PolarHBondContact O-N 3.48Å; T170-Q172 PolarHBondContact OG1-N 3.35Å; Q172-L175 PolarHBondContact O-N 2.98Å; Q172-R176 VanDerWaalsContact O-CG 3.27Å; Q172-R176 WeakPolarHBondContact O-CG 3.4Å; Q172-R176 PolarHBondContact O-N 3.27Å; Q172-R176 VanDerWaalsContact O-N 3.09Å; Q172-T327 PolarHBondContact NE2-O 3Å |
| 173 | D | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.2 | -46.6 | 171.8 | -58.4 | -37.1 | 0 | 0 | 0 | 109.7 | V73 Y154 Y155 R161 Y167 P169 T170 L175 R176 T177 | V73-D173 HydrophobicContact CG2-CB 4.19Å; Y154-D173 VanDerWaalsContact CE1-OD1 3.23Å; Y154-D173 WeakPolarHBondContact CE1-OD1 3.4Å; Y154-D173 PolarHBondContact OH-OD1 3.07Å; Y155-D173 HydrophobicContact CE1-CB 4.27Å; Y155-D173 PolarHBondContact OH-O 3.49Å; R161-D173 IonicContact CZ-OD1 3.5Å; R161-D173 IonicContact CZ-OD2 3.73Å; R161-D173 IonicContact NH1-OD1 3.62Å; R161-D173 IonicContact NH1-OD2 3.75Å; R161-D173 PolarHBondContact NH1-OD2 2.86Å; R161-D173 IonicContact NH2-OD1 3.45Å; R161-D173 PolarHBondContact NH2-OD1 3.4Å; R161-D173 IonicContact NH2-OD2 2.68Å; Y167-D173 PolarHBondContact OH-OD2 2.84Å; P169-D173 WeakPolarHBondContact CA-OD2 3.49Å; P169-D173 HydrophobicContact CB-CB 3.97Å; T170-D173 PolarHBondContact N-OD2 2.9Å; T170-D173 WeakPolarHBondContact O-CA 3.46Å; T170-D173 WeakPolarHBondContact O-CB 3.23Å; T170-D173 PolarHBondContact O-N 2.85Å; T170-D173 PolarHBondContact OG1-N 3.31Å; T170-D173 VanDerWaalsContact OG1-N 3.12Å; T170-D173 PolarHBondContact OG1-OD2 3.38Å; T170-D173 VanDerWaalsContact OG1-OD2 3.07Å; D173-L175 VanDerWaalsContact C-N 3.3Å; D173-L175 PolarHBondContact O-N 3.31Å; D173-R176 CarbonylContact O-C 3.58Å; D173-R176 WeakPolarHBondContact O-CA 3.49Å; D173-R176 PolarHBondContact O-N 2.74Å; D173-T177 WeakPolarHBondContact O-CG2 3.27Å; D173-T177 PolarHBondContact O-N 3.12Å |
| 174 | V | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -55.2 | -45 | 176.9 | 176.3 | 0 | 0 | 0 | 0 | 111.5 | K51 Y61 Y69 T170 Q171 R176 T177 | K51-V174 HydrophobicContact CD-CG1 4.43Å; K51-V174 PolarHBondContact NZ-O 2.89Å; Y61-V174 HydrophobicContact CD1-CG1 4.23Å; Y61-V174 HydrophobicContact CD2-CG1 4.15Å; Y61-V174 HydrophobicContact CE1-CG1 4.01Å; Y61-V174 HydrophobicContact CE2-CG1 3.95Å; Y61-V174 HydrophobicContact CG-CG1 4.31Å; Y69-V174 HydrophobicContact CD1-CG1 4.16Å; Y69-V174 HydrophobicContact CD2-CB 4.33Å; Y69-V174 HydrophobicContact CD2-CG1 3.8Å; Y69-V174 HydrophobicContact CD2-CG2 3.63Å; Y69-V174 HydrophobicContact CE1-CG1 3.99Å; Y69-V174 HydrophobicContact CE2-CG1 3.61Å; Y69-V174 HydrophobicContact CE2-CG2 4.25Å; Y69-V174 HydrophobicContact CG-CB 4.39Å; Y69-V174 HydrophobicContact CG-CG1 4.08Å; Y69-V174 HydrophobicContact CG-CG2 3.82Å; T170-V174 WeakPolarHBondContact O-CG2 3.23Å; T170-V174 PolarHBondContact O-N 3.17Å; Q171-V174 WeakPolarHBondContact O-CB 3.46Å; Q171-V174 PolarHBondContact O-N 3.23Å; V174-R176 VanDerWaalsContact C-N 3.3Å; V174-R176 PolarHBondContact O-N 3.18Å; V174-T177 PolarHBondContact O-N 3.21Å; V174-T177 PolarHBondContact O-OG1 2.83Å |
| 175 | L | 98 | Very high | 96.3 | Very high | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.016 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.1 | -34.1 | 176.6 | -72.5 | 172.5 | 0 | 0 | 0 | 113.1 | T48 K51 Q52 I55 Q171 Q172 D173 T327 | T48-L175 HydrophobicContact CG2-CB 4.41Å; T48-L175 HydrophobicContact CG2-CD2 3.94Å; K51-L175 HydrophobicContact CB-CD2 3.76Å; Q52-L175 HydrophobicContact CG-CD2 3.76Å; I55-L175 HydrophobicContact CD1-CD1 3.81Å; I55-L175 HydrophobicContact CD1-CD2 3.86Å; I55-L175 HydrophobicContact CD1-CG 3.83Å; Q171-L175 WeakPolarHBondContact O-CG 3.36Å; Q171-L175 PolarHBondContact O-N 3.5Å; Q172-L175 PolarHBondContact O-N 2.98Å; D173-L175 VanDerWaalsContact C-N 3.3Å; D173-L175 PolarHBondContact O-N 3.31Å; L175-T327 HydrophobicContact CB-CG2 4.45Å |
| 176 | R | 97.9 | Very high | 96.5 | Very high | 44 Ų | 44 | 49.9 Ų | 49.9 | 17% | 0.166 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -83.8 | -10.1 | 179.2 | -67.9 | -75.3 | -174.7 | -165.9 | -2.7 | 113.2 | S151 Y154 Y155 Q172 D173 V174 D272 T327 | S151-R176 VanDerWaalsContact CB-O 3.28Å; S151-R176 WeakPolarHBondContact CB-O 3.43Å; S151-R176 PolarHBondContact OG-O 3.48Å; Y154-R176 HydrophobicContact CD1-CB 3.92Å; Y154-R176 HydrophobicContact CD1-CG 3.84Å; Y154-R176 HydrophobicContact CD2-CG 4.32Å; Y154-R176 HydrophobicContact CE1-CB 4.01Å; Y154-R176 HydrophobicContact CE1-CG 3.89Å; Y154-R176 HydrophobicContact CE2-CG 4.35Å; Y154-R176 HydrophobicContact CG-CG 4.07Å; Y155-R176 HydrophobicContact CE2-CB 4.34Å; Y155-R176 WeakPolarHBondContact OH-CB 3.48Å; Y155-R176 PolarHBondContact OH-O 2.91Å; Q172-R176 VanDerWaalsContact O-CG 3.27Å; Q172-R176 WeakPolarHBondContact O-CG 3.4Å; Q172-R176 PolarHBondContact O-N 3.27Å; Q172-R176 VanDerWaalsContact O-N 3.09Å; D173-R176 CarbonylContact O-C 3.58Å; D173-R176 WeakPolarHBondContact O-CA 3.49Å; D173-R176 PolarHBondContact O-N 2.74Å; V174-R176 VanDerWaalsContact C-N 3.3Å; V174-R176 PolarHBondContact O-N 3.18Å; R176-D272 IonicContact NH2-OD2 2.74Å; R176-T327 VanDerWaalsContact CZ-OG1 3.31Å; R176-T327 PolarHBondContact NH1-OG1 2.69Å; R176-T327 PolarHBondContact NH2-OG1 2.68Å; R176-T327 VanDerWaalsContact NH2-OG1 3.14Å |
| 177 | T | 97.9 | Very high | 96.6 | Very high | 8 Ų | 8 | 45.8 Ų | 45.8 | 5% | 0.049 | 24% | 0.241 | C | C | . | . | trans | -67.4 | 143.2 | 175.2 | 60.2 | 0 | 0 | 0 | 0 | 112.5 | K51 Y69 V72 V73 Y155 D173 V174 | K51-T177 PolarHBondContact NZ-O 2.74Å; K51-T177 VanDerWaalsContact NZ-O 3.16Å; K51-T177 PolarHBondContact NZ-OG1 2.63Å; Y69-T177 HydrophobicContact CD1-CG2 4.05Å; V72-T177 HydrophobicContact CB-CG2 4.15Å; V72-T177 HydrophobicContact CG1-CG2 3.97Å; V73-T177 HydrophobicContact CG2-CG2 3.63Å; Y155-T177 WeakPolarHBondContact OH-CG2 3.28Å; Y155-T177 PolarHBondContact OH-N 2.69Å; Y155-T177 VanDerWaalsContact OH-N 3.13Å; D173-T177 WeakPolarHBondContact O-CG2 3.27Å; D173-T177 PolarHBondContact O-N 3.12Å; V174-T177 PolarHBondContact O-N 3.21Å; V174-T177 PolarHBondContact O-OG1 2.83Å | ||
| 178 | R | 96.1 | Very high | 96.5 | Very high | 63 Ų | 63 | 48.7 Ų | 48.7 | 24% | 0.238 | 26% | 0.255 | C | S | . | . | trans | -118.5 | 113.3 | 179.3 | 177.9 | 65.6 | 178.2 | 77.2 | 15.9 | 109.9 | E43 N76 | E43-R178 IonicContact OE1-CZ 2.58Å; E43-R178 VanDerWaalsContact OE1-CZ 3.28Å; E43-R178 IonicContact OE1-NE 3.24Å; E43-R178 PolarHBondContact OE1-NE 3.17Å; E43-R178 IonicContact OE1-NH2 2.74Å; E43-R178 PolarHBondContact OE1-NH2 3.09Å; N76-R178 PolarHBondContact ND2-O 2.85Å; N76-R178 PolarHBondContact OD1-N 2.97Å; N76-R178 PolarHBondContact OD1-O 3Å | ||
| 179 | V | 95.8 | Very high | 96.5 | Very high | 87 Ų | 87 | 46 Ų | 46 | 53% | 0.527 | 24% | 0.241 | S | C | . | . | trans | -124 | 136.3 | 167.9 | -176.9 | 0 | 0 | 0 | 0 | 107.6 | V72 T181 | V72-V179 HydrophobicContact CG1-CG2 3.58Å; V72-V179 HydrophobicContact CG2-CG2 4.18Å; V179-T181 PolarHBondContact O-N 2.89Å | ||
| 180 | K | 95.2 | Very high | 96.2 | Very high | 96 Ų | 96 | 50 Ų | 50 | 42% | 0.417 | 27% | 0.265 | S | S | . | . | trans | -71.3 | 112.6 | 177 | 175.5 | 171.8 | 172.1 | -177.8 | 0 | 108.4 | T182 Q204 | K180-T182 PolarHBondContact O-N 2.98Å; K180-Q204 HydrophobicContact CD-CG 4.2Å | ||
| 181 | T | 95.1 | Very high | 95.9 | Very high | 26 Ų | 26 | 49 Ų | 49 | 16% | 0.16 | 26% | 0.256 | C | S | . | . | trans | -63.4 | 121.2 | 172.6 | -44.8 | 0 | 0 | 0 | 0 | 109.2 | S47 V179 V185 G202 | S47-T181 PolarHBondContact OG-OG1 2.78Å; V179-T181 PolarHBondContact O-N 2.89Å; T181-V185 HydrophobicContact CG2-CG2 4.31Å; T181-G202 VanDerWaalsContact O-CA 3.28Å; T181-G202 WeakPolarHBondContact O-CA 3.49Å | ||
| 182 | T | 95 | Very high | 95.6 | Very high | 96 Ų | 96 | 49.6 Ų | 49.6 | 59% | 0.589 | 26% | 0.258 | S | S | * | . | trans | -115.5 | 134.4 | 174.9 | 55.1 | 0 | 0 | 0 | 0 | 108.8 | K180 E207 | K180-T182 PolarHBondContact O-N 2.98Å; T182-E207 WeakPolarHBondContact CA-OE2 3.44Å | ||
| 183 | G | 94.8 | Very high | 95.1 | Very high | 18 Ų | 18 | 53.1 Ų | 53.1 | 19% | 0.186 | 28% | 0.278 | C | S | . | . | S | Bend | trans | 74.6 | -143.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G202 E207 | G183-G202 PolarHBondContact O-N 2.8Å; G183-G202 VanDerWaalsContact O-N 3.16Å; G183-E207 PolarHBondContact N-OE2 2.65Å |
| 184 | I | 95.7 | Very high | 94.8 | Very high | 67 Ų | 67 | 54 Ų | 54 | 34% | 0.344 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 127.6 | -174.6 | -60.7 | 156.2 | 0 | 0 | 0 | 106.9 | F199 V201 H213 C214 | I184-F199 HydrophobicContact CG2-CD1 3.91Å; I184-V201 HydrophobicContact CB-CG1 4.37Å; I184-V201 HydrophobicContact CG1-CG1 3.87Å; I184-V201 HydrophobicContact CG2-CG1 4.25Å; I184-H213 HydrophobicContact CD1-CB 3.93Å; I184-C214 VanDerWaalsContact CD1-SG 3.52Å; I184-C214 WeakPolarHBondContact CG2-SG 3.29Å |
| 185 | V | 95.8 | Very high | 94.6 | Very high | 67 Ų | 67 | 57.2 Ų | 57.2 | 41% | 0.406 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 125.4 | 175.3 | -180 | 0 | 0 | 0 | 0 | 107.7 | T181 F199 D200 | T181-V185 HydrophobicContact CG2-CG2 4.31Å; V185-F199 WeakPolarHBondContact O-CA 3.49Å; V185-D200 PolarHBondContact N-O 2.79Å; V185-D200 PolarHBondContact O-N 3.26Å |
| 186 | E | 96.1 | Very high | 94.5 | Very high | 90 Ų | 90 | 57.1 Ų | 57.1 | 42% | 0.421 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 134.8 | 176.4 | -170.1 | 176.1 | -176.1 | 0 | 0 | 109.2 | H188 M198 F199 | E186-H188 VanDerWaalsContact CG-NE2 3.32Å; E186-H188 WeakPolarHBondContact CG-NE2 3.49Å; E186-H188 IonicContact OE1-CD2 3.44Å; E186-H188 IonicContact OE1-CE1 2.91Å; E186-H188 IonicContact OE1-NE2 2.83Å; E186-H188 PolarHBondContact OE1-NE2 2.73Å; E186-M198 CarbonylContact C-O 3.59Å; E186-M198 WeakPolarHBondContact CA-O 3.3Å; E186-F199 HydrophobicContact CB-CD1 4.27Å; E186-F199 HydrophobicContact CB-CE1 4.05Å; E186-F199 HydrophobicContact CG-CD1 4.21Å; E186-F199 HydrophobicContact CG-CE1 3.72Å; E186-F199 HydrophobicContact CG-CE2 4.3Å; E186-F199 HydrophobicContact CG-CZ 3.77Å; E186-F199 VanDerWaalsContact OE1-CZ 3.25Å; E186-F199 WeakPolarHBondContact OE1-CZ 3.19Å |
| 187 | T | 95.4 | Very high | 94.4 | Very high | 29 Ų | 29 | 57.4 Ų | 57.4 | 18% | 0.178 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 134.7 | 177.5 | -59.2 | 0 | 0 | 0 | 0 | 108.7 | V50 M198 | V50-T187 HydrophobicContact CG1-CG2 4.01Å; V50-T187 WeakPolarHBondContact CG1-OG1 3.34Å; T187-M198 PolarHBondContact N-O 2.87Å; T187-M198 PolarHBondContact O-N 3.01Å |
| 188 | H | 95.2 | Very high | 94.4 | Very high | 71 Ų | 71 | 57 Ų | 57 | 33% | 0.329 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 147.2 | -176.7 | -54.6 | 166.4 | 0 | 0 | 0 | 109.6 | E186 Y195 F196 | E186-H188 VanDerWaalsContact CG-NE2 3.32Å; E186-H188 WeakPolarHBondContact CG-NE2 3.49Å; E186-H188 IonicContact OE1-CD2 3.44Å; E186-H188 IonicContact OE1-CE1 2.91Å; E186-H188 IonicContact OE1-NE2 2.83Å; E186-H188 PolarHBondContact OE1-NE2 2.73Å; H188-Y195 HydrophobicContact CB-CE2 4.16Å; H188-Y195 WeakPolarHBondContact CB-OH 3.4Å; H188-Y195 AromaticContact CG-CZ 3.98Å; H188-Y195 AromaticContact ND1-CZ 3.94Å; H188-Y195 PolarHBondContact ND1-OH 3.14Å; H188-F196 VanDerWaalsContact CA-O 3.26Å; H188-F196 WeakPolarHBondContact CA-O 3.3Å |
| 189 | F | 94.9 | Very high | 94.5 | Very high | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.018 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 163.9 | 169.4 | 56.4 | -84.8 | 0 | 0 | 0 | 109.9 | M53 H57 E58 F191 F196 M198 F336 | M53-F189 HydrophobicContact CB-CD1 3.85Å; M53-F189 HydrophobicContact CB-CE1 3.74Å; M53-F189 HydrophobicContact CB-CG 4.35Å; M53-F189 HydrophobicContact CB-CZ 4.16Å; M53-F189 HydrophobicContact CG-CD1 4.24Å; M53-F189 HydrophobicContact CG-CE1 3.6Å; M53-F189 HydrophobicContact CG-CE2 4.45Å; M53-F189 HydrophobicContact CG-CZ 3.72Å; M53-F189 HydrophobicContact SD-CE1 4.06Å; M53-F189 HydrophobicContact SD-CE2 3.89Å; M53-F189 HydrophobicContact SD-CZ 3.51Å; M53-F189 VanDerWaalsContact SD-CZ 3.51Å; H57-F189 HydrophobicContact CB-CB 4.16Å; H57-F189 HydrophobicContact CB-CD2 4.19Å; H57-F189 HydrophobicContact CB-CG 4.47Å; H57-F189 AromaticContact CD2-CD2 3.69Å; H57-F189 AromaticContact CD2-CE2 3.87Å; E58-F189 HydrophobicContact CG-CB 4.3Å; F189-F191 HydrophobicContact CD2-CB 4.4Å; F189-F191 HydrophobicContact CE2-CB 4.49Å; F189-F196 HydrophobicContact CD1-CB 4.1Å; F189-F196 HydrophobicContact CD2-CB 3.95Å; F189-F196 HydrophobicContact CD2-CD2 4.07Å; F189-F196 HydrophobicContact CD2-CG 4.23Å; F189-F196 HydrophobicContact CE1-CB 3.75Å; F189-F196 HydrophobicContact CE1-CG 4.49Å; F189-F196 HydrophobicContact CE2-CB 3.59Å; F189-F196 HydrophobicContact CE2-CD1 4.32Å; F189-F196 AromaticContact CE2-CD2 3.63Å; F189-F196 HydrophobicContact CE2-CD2 3.63Å; F189-F196 HydrophobicContact CE2-CE2 4.39Å; F189-F196 AromaticContact CE2-CG 3.58Å; F189-F196 HydrophobicContact CE2-CG 3.58Å; F189-F196 HydrophobicContact CG-CB 4.19Å; F189-F196 HydrophobicContact CZ-CB 3.47Å; F189-F196 VanDerWaalsContact CZ-CB 3.47Å; F189-F196 HydrophobicContact CZ-CD1 4.2Å; F189-F196 HydrophobicContact CZ-CD2 4.27Å; F189-F196 AromaticContact CZ-CG 3.74Å; F189-F196 HydrophobicContact CZ-CG 3.74Å; F189-F196 PolarHBondContact N-O 2.87Å; F189-F196 VanDerWaalsContact N-O 3.16Å; F189-F196 PolarHBondContact O-N 3.46Å; F189-M198 HydrophobicContact CE1-CB 3.99Å; F189-M198 HydrophobicContact CE1-CE 3.85Å; F189-M198 HydrophobicContact CE1-SD 4.33Å; F189-M198 HydrophobicContact CZ-CE 3.82Å; F189-F336 AromaticContact CE2-CE1 3.7Å; F189-F336 HydrophobicContact CE2-CE1 3.7Å; F189-F336 AromaticContact CE2-CZ 3.72Å; F189-F336 HydrophobicContact CE2-CZ 3.72Å; F189-F336 HydrophobicContact CZ-CE1 4.02Å; F189-F336 HydrophobicContact CZ-CE2 4.33Å; F189-F336 AromaticContact CZ-CZ 3.55Å; F189-F336 HydrophobicContact CZ-CZ 3.55Å |
| 190 | T | 92.5 | Very high | 94.6 | Very high | 89 Ų | 89 | 51.2 Ų | 51.2 | 55% | 0.546 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 132.1 | 177.3 | -61.4 | 0 | 0 | 0 | 0 | 110.5 | L194 | T190-L194 WeakPolarHBondContact CA-O 3.37Å |
| 191 | F | 92.5 | Very high | 94.7 | Very high | 40 Ų | 40 | 46.7 Ų | 46.7 | 18% | 0.175 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 133.4 | 177.6 | 179 | -122.6 | 0 | 0 | 0 | 110.5 | H57 F189 D193 L194 F196 F336 D337 T340 | H57-F191 AromaticContact CE1-CD2 3.25Å; H57-F191 WeakPolarHBondContact CE1-CD2 3.23Å; H57-F191 AromaticContact CE1-CE2 3.66Å; H57-F191 AromaticContact CE1-CG 3.55Å; H57-F191 AromaticContact ND1-CD2 3.66Å; F189-F191 HydrophobicContact CD2-CB 4.4Å; F189-F191 HydrophobicContact CE2-CB 4.49Å; F191-D193 VanDerWaalsContact C-N 3.3Å; F191-D193 PolarHBondContact O-N 2.95Å; F191-L194 PolarHBondContact N-O 3.45Å; F191-L194 WeakPolarHBondContact O-CB 3.27Å; F191-L194 PolarHBondContact O-N 3.4Å; F191-F196 HydrophobicContact CB-CD2 4.15Å; F191-F196 HydrophobicContact CB-CE2 3.84Å; F191-F196 HydrophobicContact CD1-CE2 4.27Å; F191-F336 HydrophobicContact CD1-CD1 4.08Å; F191-F336 AromaticContact CD1-CE1 3.92Å; F191-F336 HydrophobicContact CD1-CE1 3.92Å; F191-F336 HydrophobicContact CE1-CD1 4.16Å; F191-F336 HydrophobicContact CE1-CE1 4.43Å; F191-D337 HydrophobicContact CZ-CB 4.44Å; F191-D337 WeakPolarHBondContact CZ-OD1 3.24Å; F191-T340 HydrophobicContact CD1-CG2 3.86Å; F191-T340 WeakPolarHBondContact CD1-OG1 3.25Å; F191-T340 HydrophobicContact CE1-CG2 3.9Å; F191-T340 WeakPolarHBondContact CE1-OG1 3.15Å |
| 192 | K | 90.2 | Very high | 94.8 | Very high | 81 Ų | 81 | 45.4 Ų | 45.4 | 35% | 0.352 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.9 | 48 | -176 | -63 | -170.7 | -179.9 | -179.7 | 0 | 113.7 | L194 D337 T340 D341 I344 | K192-L194 PolarHBondContact O-N 3.13Å; K192-D337 WeakPolarHBondContact CE-OD1 3.46Å; K192-D337 IonicContact NZ-OD1 3.27Å; K192-D337 PolarHBondContact NZ-OD1 3.31Å; K192-D337 IonicContact NZ-OD2 3.69Å; K192-T340 HydrophobicContact CB-CG2 4.49Å; K192-T340 HydrophobicContact CD-CG2 4.03Å; K192-D341 IonicContact NZ-OD1 2.75Å; K192-D341 PolarHBondContact NZ-OD1 2.89Å; K192-D341 IonicContact NZ-OD2 2.94Å; K192-I344 HydrophobicContact CB-CD1 4.44Å; K192-I344 HydrophobicContact CD-CD1 4.26Å |
| 193 | D | 87.2 | Confident | 94.8 | Very high | 137 Ų | 137 | 41 Ų | 41 | 73% | 0.733 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 8.9 | -177.1 | -57.7 | -42.9 | 0 | 0 | 0 | 116 | F191 | F191-D193 VanDerWaalsContact C-N 3.3Å; F191-D193 PolarHBondContact O-N 2.95Å |
| 194 | L | 92.5 | Very high | 94.9 | Very high | 17 Ų | 17 | 40.8 Ų | 40.8 | 9% | 0.089 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 143.4 | 173.2 | -61.5 | 173.3 | 0 | 0 | 0 | 110.6 | K32 V34 T190 F191 K192 F196 T340 I344 | K32-L194 HydrophobicContact CB-CD2 4.44Å; K32-L194 WeakPolarHBondContact O-CA 2.96Å; V34-L194 HydrophobicContact CG2-CB 4.3Å; V34-L194 HydrophobicContact CG2-CD1 4.04Å; V34-L194 HydrophobicContact CG2-CD2 4.3Å; V34-L194 HydrophobicContact CG2-CG 4.46Å; T190-L194 WeakPolarHBondContact CA-O 3.37Å; F191-L194 PolarHBondContact N-O 3.45Å; F191-L194 WeakPolarHBondContact O-CB 3.27Å; F191-L194 PolarHBondContact O-N 3.4Å; K192-L194 PolarHBondContact O-N 3.13Å; L194-F196 HydrophobicContact CB-CD2 4.21Å; L194-F196 HydrophobicContact CB-CE2 3.67Å; L194-F196 HydrophobicContact CB-CZ 4.22Å; L194-F196 HydrophobicContact CD1-CE2 4.28Å; L194-F196 HydrophobicContact CD1-CZ 4.07Å; L194-T340 HydrophobicContact CD1-CG2 4.13Å; L194-I344 HydrophobicContact CD1-CD1 3.96Å; L194-I344 HydrophobicContact CD1-CG1 3.6Å |
| 195 | Y | 93.4 | Very high | 94.9 | Very high | 69 Ų | 69 | 41.6 Ų | 41.6 | 27% | 0.271 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 108.3 | 174.8 | -178.1 | -106.4 | 0 | 0 | 0 | 109.6 | K32 E33 V34 H188 K197 | K32-Y195 PolarHBondContact O-N 2.62Å; E33-Y195 CarbonylContact C-O 3.59Å; E33-Y195 WeakPolarHBondContact CA-O 3.41Å; E33-Y195 HydrophobicContact CG-CD1 4.13Å; V34-Y195 PolarHBondContact N-O 3.27Å; H188-Y195 HydrophobicContact CB-CE2 4.16Å; H188-Y195 WeakPolarHBondContact CB-OH 3.4Å; H188-Y195 AromaticContact CG-CZ 3.98Å; H188-Y195 AromaticContact ND1-CZ 3.94Å; H188-Y195 PolarHBondContact ND1-OH 3.14Å; Y195-K197 HydrophobicContact CD1-CG 4.32Å; Y195-K197 HydrophobicContact CE1-CD 4.42Å; Y195-K197 HydrophobicContact CE1-CG 3.82Å |
| 196 | F | 95.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 130.1 | -178.1 | -72.8 | -91.3 | 0 | 0 | 0 | 110.9 | V34 L36 H188 F189 F191 L194 F336 T340 | V34-F196 HydrophobicContact CB-CD1 3.77Å; V34-F196 HydrophobicContact CB-CE1 3.85Å; V34-F196 HydrophobicContact CB-CG 4.41Å; V34-F196 HydrophobicContact CG1-CD1 3.71Å; V34-F196 HydrophobicContact CG1-CE1 3.58Å; V34-F196 HydrophobicContact CG2-CE1 4.35Å; V34-F196 CarbonylContact O-C 3.58Å; V34-F196 WeakPolarHBondContact O-CA 3.31Å; L36-F196 HydrophobicContact CD1-CD1 3.47Å; L36-F196 VanDerWaalsContact CD1-CD1 3.47Å; L36-F196 HydrophobicContact CD1-CE1 3.8Å; L36-F196 HydrophobicContact CG-CD1 3.82Å; L36-F196 HydrophobicContact CG-CE1 4.23Å; H188-F196 VanDerWaalsContact CA-O 3.26Å; H188-F196 WeakPolarHBondContact CA-O 3.3Å; F189-F196 HydrophobicContact CD1-CB 4.1Å; F189-F196 HydrophobicContact CD2-CB 3.95Å; F189-F196 HydrophobicContact CD2-CD2 4.07Å; F189-F196 HydrophobicContact CD2-CG 4.23Å; F189-F196 HydrophobicContact CE1-CB 3.75Å; F189-F196 HydrophobicContact CE1-CG 4.49Å; F189-F196 HydrophobicContact CE2-CB 3.59Å; F189-F196 HydrophobicContact CE2-CD1 4.32Å; F189-F196 AromaticContact CE2-CD2 3.63Å; F189-F196 HydrophobicContact CE2-CD2 3.63Å; F189-F196 HydrophobicContact CE2-CE2 4.39Å; F189-F196 AromaticContact CE2-CG 3.58Å; F189-F196 HydrophobicContact CE2-CG 3.58Å; F189-F196 HydrophobicContact CG-CB 4.19Å; F189-F196 HydrophobicContact CZ-CB 3.47Å; F189-F196 VanDerWaalsContact CZ-CB 3.47Å; F189-F196 HydrophobicContact CZ-CD1 4.2Å; F189-F196 HydrophobicContact CZ-CD2 4.27Å; F189-F196 AromaticContact CZ-CG 3.74Å; F189-F196 HydrophobicContact CZ-CG 3.74Å; F189-F196 PolarHBondContact N-O 2.87Å; F189-F196 VanDerWaalsContact N-O 3.16Å; F189-F196 PolarHBondContact O-N 3.46Å; F191-F196 HydrophobicContact CB-CD2 4.15Å; F191-F196 HydrophobicContact CB-CE2 3.84Å; F191-F196 HydrophobicContact CD1-CE2 4.27Å; L194-F196 HydrophobicContact CB-CD2 4.21Å; L194-F196 HydrophobicContact CB-CE2 3.67Å; L194-F196 HydrophobicContact CB-CZ 4.22Å; L194-F196 HydrophobicContact CD1-CE2 4.28Å; L194-F196 HydrophobicContact CD1-CZ 4.07Å; F196-F336 HydrophobicContact CD1-CZ 4.18Å; F196-F336 HydrophobicContact CE1-CE1 4.42Å; F196-F336 AromaticContact CE1-CZ 4Å; F196-F336 HydrophobicContact CE1-CZ 4Å; F196-F336 HydrophobicContact CZ-CE1 4.29Å; F196-F336 HydrophobicContact CZ-CZ 4.32Å; F196-T340 HydrophobicContact CZ-CG2 3.94Å |
| 197 | K | 96.4 | Very high | 94.9 | Very high | 50 Ų | 50 | 38.6 Ų | 38.6 | 22% | 0.217 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 102.8 | 162.7 | -65.8 | 179.8 | 175.5 | 163.9 | 0 | 108.6 | E33 V34 K35 L36 Y195 F199 | E33-K197 HydrophobicContact CG-CD 4.3Å; E33-K197 WeakPolarHBondContact OE1-CE 3.19Å; E33-K197 IonicContact OE1-NZ 3.63Å; E33-K197 PolarHBondContact OE1-NZ 2.86Å; E33-K197 WeakPolarHBondContact OE2-CE 3.49Å; E33-K197 IonicContact OE2-NZ 3.92Å; E33-K197 PolarHBondContact OE2-NZ 3.25Å; V34-K197 PolarHBondContact O-N 3.4Å; K35-K197 WeakPolarHBondContact CA-O 3.32Å; L36-K197 PolarHBondContact N-O 3.29Å; Y195-K197 HydrophobicContact CD1-CG 4.32Å; Y195-K197 HydrophobicContact CE1-CD 4.42Å; Y195-K197 HydrophobicContact CE1-CG 3.82Å; K197-F199 HydrophobicContact CB-CE2 3.74Å; K197-F199 HydrophobicContact CB-CZ 4.44Å; K197-F199 WeakPolarHBondContact O-CD2 3.11Å |
| 198 | M | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 123.6 | -179.5 | -175.8 | 173.9 | -74.5 | 0 | 0 | 110.5 | L36 L38 V50 M53 E186 T187 F189 F336 | L36-M198 HydrophobicContact CB-CB 4.47Å; L36-M198 HydrophobicContact CB-CG 4.45Å; L36-M198 HydrophobicContact CD1-CE 3.72Å; L36-M198 CarbonylContact O-C 3.59Å; L36-M198 WeakPolarHBondContact O-CA 3.28Å; L38-M198 HydrophobicContact CD1-CG 4.06Å; L38-M198 HydrophobicContact CD1-SD 3.8Å; L38-M198 HydrophobicContact CD2-CE 4.42Å; L38-M198 HydrophobicContact CD2-CG 4.35Å; L38-M198 HydrophobicContact CD2-SD 4.25Å; L38-M198 HydrophobicContact CG-CG 3.95Å; L38-M198 HydrophobicContact CG-SD 4.17Å; V50-M198 HydrophobicContact CG2-CG 4.41Å; V50-M198 HydrophobicContact CG2-SD 3.92Å; M53-M198 HydrophobicContact CG-CE 3.64Å; M53-M198 HydrophobicContact CG-SD 3.8Å; M53-M198 HydrophobicContact SD-CE 3.99Å; E186-M198 CarbonylContact C-O 3.59Å; E186-M198 WeakPolarHBondContact CA-O 3.3Å; T187-M198 PolarHBondContact N-O 2.87Å; T187-M198 PolarHBondContact O-N 3.01Å; F189-M198 HydrophobicContact CE1-CB 3.99Å; F189-M198 HydrophobicContact CE1-CE 3.85Å; F189-M198 HydrophobicContact CE1-SD 4.33Å; F189-M198 HydrophobicContact CZ-CE 3.82Å; M198-F336 HydrophobicContact CE-CE2 3.89Å; M198-F336 HydrophobicContact CE-CZ 4.37Å |
| 199 | F | 97.9 | Very high | 94.9 | Very high | 22 Ų | 22 | 44.9 Ų | 44.9 | 10% | 0.096 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 112.1 | 179.5 | -67.9 | -95.1 | 0 | 0 | 0 | 109.8 | K35 L36 L37 L38 I184 V185 E186 K197 | K35-F199 HydrophobicContact CD-CD2 4.31Å; K35-F199 HydrophobicContact CD-CE2 3.88Å; K35-F199 HydrophobicContact CG-CD2 3.87Å; K35-F199 HydrophobicContact CG-CE2 3.7Å; L36-F199 PolarHBondContact O-N 2.84Å; L37-F199 HydrophobicContact CD1-CB 3.79Å; L38-F199 PolarHBondContact N-O 2.89Å; I184-F199 HydrophobicContact CG2-CD1 3.91Å; V185-F199 WeakPolarHBondContact O-CA 3.49Å; E186-F199 HydrophobicContact CB-CD1 4.27Å; E186-F199 HydrophobicContact CB-CE1 4.05Å; E186-F199 HydrophobicContact CG-CD1 4.21Å; E186-F199 HydrophobicContact CG-CE1 3.72Å; E186-F199 HydrophobicContact CG-CE2 4.3Å; E186-F199 HydrophobicContact CG-CZ 3.77Å; E186-F199 VanDerWaalsContact OE1-CZ 3.25Å; E186-F199 WeakPolarHBondContact OE1-CZ 3.19Å; K197-F199 HydrophobicContact CB-CE2 3.74Å; K197-F199 HydrophobicContact CB-CZ 4.44Å; K197-F199 WeakPolarHBondContact O-CD2 3.11Å |
| 200 | D | 97.7 | Very high | 95 | Very high | 6 Ų | 6 | 48.2 Ų | 48.2 | 3% | 0.032 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 130.5 | 170.6 | -178.5 | 33.1 | 0 | 0 | 0 | 110.5 | L38 K46 S47 V50 V185 | L38-D200 HydrophobicContact CD1-CB 4.3Å; K46-D200 VanDerWaalsContact CB-OD1 3.24Å; K46-D200 WeakPolarHBondContact CB-OD1 3.39Å; S47-D200 WeakPolarHBondContact CA-OD2 3.43Å; S47-D200 VanDerWaalsContact CB-OD2 3.29Å; S47-D200 WeakPolarHBondContact CB-OD2 3.5Å; S47-D200 PolarHBondContact OG-OD2 2.84Å; V50-D200 HydrophobicContact CG2-CB 3.62Å; V185-D200 PolarHBondContact N-O 2.79Å; V185-D200 PolarHBondContact O-N 3.26Å |
| 201 | V | 97.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 148.1 | -175.3 | -60.9 | 0 | 0 | 0 | 0 | 111 | L37 L38 L39 K46 I184 G203 W211 | L37-V201 HydrophobicContact CD1-CG1 4.37Å; L38-V201 WeakPolarHBondContact O-CG2 3.42Å; L39-V201 HydrophobicContact CD2-CG2 3.67Å; K46-V201 WeakPolarHBondContact CE-O 3.48Å; I184-V201 HydrophobicContact CB-CG1 4.37Å; I184-V201 HydrophobicContact CG1-CG1 3.87Å; I184-V201 HydrophobicContact CG2-CG1 4.25Å; V201-G203 PolarHBondContact O-N 3.23Å; V201-W211 VanDerWaalsContact CG2-CD1 3.47Å; V201-W211 HydrophobicContact CG2-CD2 4.29Å; V201-W211 HydrophobicContact CG2-CG 4.1Å; V201-W211 HydrophobicContact CG2-CZ2 4.34Å; V201-W211 VanDerWaalsContact CG2-NE1 3.26Å |
| 202 | G | 96.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -54.9 | 126.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | T181 G183 E207 W211 | T181-G202 VanDerWaalsContact O-CA 3.28Å; T181-G202 WeakPolarHBondContact O-CA 3.49Å; G183-G202 PolarHBondContact O-N 2.8Å; G183-G202 VanDerWaalsContact O-N 3.16Å; G202-E207 WeakPolarHBondContact O-CB 3.35Å; G202-W211 PolarHBondContact O-NE1 3.08Å | ||
| 203 | G | 95.7 | Very high | 95.4 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | trans | -90.1 | -16.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | G40 G42 V201 R208 | G40-G203 WeakPolarHBondContact O-CA 3.49Å; G42-G203 VanDerWaalsContact N-C 3.34Å; G42-G203 PolarHBondContact N-O 2.94Å; V201-G203 PolarHBondContact O-N 3.23Å; G203-R208 PolarHBondContact O-NE 3.26Å; G203-R208 VanDerWaalsContact O-NE 3.1Å | ||
| 204 | Q | 96.1 | Very high | 95.8 | Very high | 14 Ų | 14 | 43 Ų | 43 | 7% | 0.065 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -65.7 | 151.9 | 179.3 | -67.4 | 81.3 | 9.9 | 0 | 0 | 110.8 | K180 S206 E207 R208 E236 | K180-Q204 HydrophobicContact CD-CG 4.2Å; Q204-S206 PolarHBondContact O-N 3.41Å; Q204-S206 VanDerWaalsContact O-N 3.08Å; Q204-E207 PolarHBondContact O-N 3.39Å; Q204-R208 WeakPolarHBondContact O-CG 3.41Å; Q204-R208 PolarHBondContact O-N 2.84Å; Q204-E236 WeakPolarHBondContact CA-OE1 3.41Å; Q204-E236 VanDerWaalsContact CB-OE1 3.25Å; Q204-E236 WeakPolarHBondContact CB-OE1 3.37Å; Q204-E236 WeakPolarHBondContact CG-OE1 3.44Å |
| 205 | R | 95.7 | Very high | 96 | Very high | 85 Ų | 85 | 42.9 Ų | 42.9 | 32% | 0.321 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -36.7 | -175.5 | -75 | -177 | 170.6 | 172.2 | 0.1 | 113.2 | E207 E236 D237 E245 | R205-E207 VanDerWaalsContact C-N 3.27Å; R205-E207 PolarHBondContact O-N 3.45Å; R205-E236 PolarHBondContact N-OE1 2.86Å; R205-D237 IonicContact CZ-OD2 2.66Å; R205-D237 IonicContact NH1-OD2 2.76Å; R205-D237 PolarHBondContact NH1-OD2 2.93Å; R205-D237 IonicContact NH2-OD2 3.8Å; R205-D237 PolarHBondContact NH2-OD2 2.91Å; R205-E245 IonicContact CZ-OE1 3.12Å; R205-E245 IonicContact CZ-OE2 3.54Å; R205-E245 IonicContact NE-OE1 3.62Å; R205-E245 PolarHBondContact NE-OE1 3.42Å; R205-E245 IonicContact NE-OE2 2.97Å; R205-E245 IonicContact NH2-OE1 3Å; R205-E245 IonicContact NH2-OE2 3.28Å; R205-E245 PolarHBondContact NH2-OE2 3.17Å |
| 206 | S | 95.6 | Very high | 95.9 | Very high | 74 Ų | 74 | 46.8 Ų | 46.8 | 52% | 0.517 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -27.1 | 177 | 31.4 | 0 | 0 | 0 | 0 | 114.3 | Q204 | Q204-S206 PolarHBondContact O-N 3.41Å; Q204-S206 VanDerWaalsContact O-N 3.08Å |
| 207 | E | 96.8 | Very high | 95.7 | Very high | 19 Ų | 19 | 49.7 Ų | 49.7 | 9% | 0.089 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -20.7 | -174.5 | -61.3 | -58.6 | 109.8 | 0 | 0 | 112.8 | T182 G183 G202 Q204 R205 K209 K210 | T182-E207 WeakPolarHBondContact CA-OE2 3.44Å; G183-E207 PolarHBondContact N-OE2 2.65Å; G202-E207 WeakPolarHBondContact O-CB 3.35Å; Q204-E207 PolarHBondContact O-N 3.39Å; R205-E207 VanDerWaalsContact C-N 3.27Å; R205-E207 PolarHBondContact O-N 3.45Å; E207-K209 VanDerWaalsContact C-N 3.26Å; E207-K209 PolarHBondContact O-N 2.75Å; E207-K209 VanDerWaalsContact O-N 3.15Å; E207-K210 VanDerWaalsContact O-CB 3.32Å; E207-K210 WeakPolarHBondContact O-CB 3.29Å; E207-K210 PolarHBondContact O-N 3.17Å; E207-K210 IonicContact OE1-NZ 2.73Å; E207-K210 PolarHBondContact OE1-NZ 3.19Å; E207-K210 IonicContact OE2-NZ 2.7Å; E207-K210 PolarHBondContact OE2-NZ 3.04Å |
| 208 | R | 96 | Very high | 95.7 | Very high | 48 Ų | 48 | 47.9 Ų | 47.9 | 18% | 0.181 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -63.4 | -26 | -171.2 | -57.4 | -169.6 | -167.2 | 155.5 | 5.9 | 114.9 | G203 Q204 K210 W211 E245 | G203-R208 PolarHBondContact O-NE 3.26Å; G203-R208 VanDerWaalsContact O-NE 3.1Å; Q204-R208 WeakPolarHBondContact O-CG 3.41Å; Q204-R208 PolarHBondContact O-N 2.84Å; R208-K210 PolarHBondContact O-N 3.49Å; R208-W211 HydrophobicContact CB-CD2 4.18Å; R208-W211 HydrophobicContact CG-CD2 4.4Å; R208-W211 HydrophobicContact CG-CH2 4.34Å; R208-W211 HydrophobicContact CG-CZ2 3.86Å; R208-W211 VanDerWaalsContact O-CB 3.3Å; R208-W211 WeakPolarHBondContact O-CB 3.49Å; R208-W211 VanDerWaalsContact O-CG 3.25Å; R208-W211 PolarHBondContact O-N 3.39Å; R208-W211 VanDerWaalsContact O-N 3.15Å; R208-E245 IonicContact CZ-OE1 2.76Å; R208-E245 IonicContact NH1-OE1 2.63Å; R208-E245 PolarHBondContact NH1-OE1 2.67Å; R208-E245 IonicContact NH2-OE1 2.9Å; R208-E245 PolarHBondContact NH2-OE1 2.88Å |
| 209 | K | 94.9 | Very high | 95.5 | Very high | 184 Ų | 184 | 49.7 Ų | 49.7 | 80% | 0.8 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -60.7 | -25.7 | 174.4 | -67.4 | -176.5 | -179.3 | 179.5 | 0 | 112.3 | E207 W211 I212 | E207-K209 VanDerWaalsContact C-N 3.26Å; E207-K209 PolarHBondContact O-N 2.75Å; E207-K209 VanDerWaalsContact O-N 3.15Å; K209-W211 VanDerWaalsContact C-N 3.32Å; K209-I212 WeakPolarHBondContact O-CG2 3.41Å |
| 210 | K | 96.1 | Very high | 95.4 | Very high | 74 Ų | 74 | 48.6 Ų | 48.6 | 32% | 0.322 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -79.1 | -15.5 | -179.1 | -55.9 | 175.2 | -173.9 | 167.3 | 0 | 112.7 | E207 R208 I212 H213 | E207-K210 VanDerWaalsContact O-CB 3.32Å; E207-K210 WeakPolarHBondContact O-CB 3.29Å; E207-K210 PolarHBondContact O-N 3.17Å; E207-K210 IonicContact OE1-NZ 2.73Å; E207-K210 PolarHBondContact OE1-NZ 3.19Å; E207-K210 IonicContact OE2-NZ 2.7Å; E207-K210 PolarHBondContact OE2-NZ 3.04Å; R208-K210 PolarHBondContact O-N 3.49Å; K210-I212 VanDerWaalsContact C-N 3.25Å; K210-I212 PolarHBondContact O-N 2.82Å; K210-H213 WeakPolarHBondContact O-CB 3.27Å; K210-H213 PolarHBondContact O-CD2 2.79Å; K210-H213 PolarHBondContact O-N 2.67Å; K210-H213 VanDerWaalsContact O-N 3.17Å |
| 211 | W | 96.7 | Very high | 95.3 | Very high | 9 Ų | 9 | 48.3 Ų | 48.3 | 3% | 0.034 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -60.5 | -35 | -174.9 | -67.3 | 3.3 | 0 | 0 | 0 | 113.2 | L39 V201 G202 R208 K209 H213 C214 F215 L249 I253 | L39-W211 HydrophobicContact CB-CH2 4.34Å; L39-W211 HydrophobicContact CB-CZ3 4.36Å; L39-W211 HydrophobicContact CD2-CD2 3.83Å; L39-W211 HydrophobicContact CD2-CE3 3.78Å; L39-W211 HydrophobicContact CD2-CG 4.27Å; L39-W211 HydrophobicContact CD2-CH2 4.24Å; L39-W211 HydrophobicContact CD2-CZ2 4.36Å; L39-W211 HydrophobicContact CD2-CZ3 3.99Å; V201-W211 VanDerWaalsContact CG2-CD1 3.47Å; V201-W211 HydrophobicContact CG2-CD2 4.29Å; V201-W211 HydrophobicContact CG2-CG 4.1Å; V201-W211 HydrophobicContact CG2-CZ2 4.34Å; V201-W211 VanDerWaalsContact CG2-NE1 3.26Å; G202-W211 PolarHBondContact O-NE1 3.08Å; R208-W211 HydrophobicContact CB-CD2 4.18Å; R208-W211 HydrophobicContact CG-CD2 4.4Å; R208-W211 HydrophobicContact CG-CH2 4.34Å; R208-W211 HydrophobicContact CG-CZ2 3.86Å; R208-W211 VanDerWaalsContact O-CB 3.3Å; R208-W211 WeakPolarHBondContact O-CB 3.49Å; R208-W211 VanDerWaalsContact O-CG 3.25Å; R208-W211 PolarHBondContact O-N 3.39Å; R208-W211 VanDerWaalsContact O-N 3.15Å; K209-W211 VanDerWaalsContact C-N 3.32Å; W211-H213 PolarHBondContact O-N 2.83Å; W211-C214 PolarHBondContact O-N 3.14Å; W211-F215 HydrophobicContact CB-CE1 3.78Å; W211-F215 HydrophobicContact CB-CZ 4.14Å; W211-F215 WeakPolarHBondContact O-CD1 3.45Å; W211-F215 VanDerWaalsContact O-CE1 3.25Å; W211-F215 WeakPolarHBondContact O-CE1 3.3Å; W211-L249 HydrophobicContact CH2-CD1 3.77Å; W211-L249 HydrophobicContact CH2-CD2 3.72Å; W211-L249 HydrophobicContact CH2-CG 4.01Å; W211-L249 HydrophobicContact CZ3-CD1 3.59Å; W211-L249 HydrophobicContact CZ3-CD2 4.36Å; W211-L249 HydrophobicContact CZ3-CG 4.14Å; W211-I253 HydrophobicContact CE3-CD1 4.15Å; W211-I253 HydrophobicContact CZ3-CD1 4.01Å; W211-I253 HydrophobicContact CZ3-CG1 4.24Å |
| 212 | I | 93.9 | Very high | 95.4 | Very high | 80 Ų | 80 | 48.3 Ų | 48.3 | 41% | 0.41 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -55.6 | -27.8 | 179.7 | -169.3 | 59.4 | 0 | 0 | 0 | 112.7 | K209 K210 C214 F215 W258 | K209-I212 WeakPolarHBondContact O-CG2 3.41Å; K210-I212 VanDerWaalsContact C-N 3.25Å; K210-I212 PolarHBondContact O-N 2.82Å; I212-C214 PolarHBondContact O-N 3.15Å; I212-C214 VanDerWaalsContact O-N 3.17Å; I212-F215 HydrophobicContact CD1-CB 4.33Å; I212-F215 HydrophobicContact CD1-CD2 3.59Å; I212-F215 HydrophobicContact CD1-CE2 4.18Å; I212-F215 HydrophobicContact CD1-CG 4.11Å; I212-F215 PolarHBondContact O-N 3.27Å; I212-W258 HydrophobicContact CD1-CZ2 4.4Å |
| 213 | H | 94.4 | Very high | 95.5 | Very high | 146 Ų | 146 | 48.3 Ų | 48.3 | 68% | 0.676 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -69.1 | -9.4 | 178 | -58.3 | -60 | 0 | 0 | 0 | 113.7 | I184 K210 W211 | I184-H213 HydrophobicContact CD1-CB 3.93Å; K210-H213 WeakPolarHBondContact O-CB 3.27Å; K210-H213 PolarHBondContact O-CD2 2.79Å; K210-H213 PolarHBondContact O-N 2.67Å; K210-H213 VanDerWaalsContact O-N 3.17Å; W211-H213 PolarHBondContact O-N 2.83Å |
| 214 | C | 95.6 | Very high | 95.6 | Very high | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.02 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -110.1 | -1.8 | 178.2 | -58.5 | 0 | 0 | 0 | 0 | 113.7 | K35 L37 I184 W211 I212 E216 V218 | K35-C214 VanDerWaalsContact CE-O 3.29Å; K35-C214 WeakPolarHBondContact CE-O 3.39Å; K35-C214 PolarHBondContact NZ-O 2.73Å; L37-C214 HydrophobicContact CD1-CB 3.63Å; L37-C214 HydrophobicContact CD2-CB 4.33Å; I184-C214 VanDerWaalsContact CD1-SG 3.52Å; I184-C214 WeakPolarHBondContact CG2-SG 3.29Å; W211-C214 PolarHBondContact O-N 3.14Å; I212-C214 PolarHBondContact O-N 3.15Å; I212-C214 VanDerWaalsContact O-N 3.17Å; C214-E216 PolarHBondContact O-N 2.95Å; C214-V218 WeakPolarHBondContact O-CG2 3.43Å |
| 215 | F | 95.2 | Very high | 95.7 | Very high | 14 Ų | 14 | 47.5 Ų | 47.5 | 6% | 0.061 | 24% | 0.242 | C | C | . | . | trans | -77.1 | -20 | -167.4 | -78 | 16.3 | 0 | 0 | 0 | 114.4 | L37 L39 W211 I212 I253 W258 F259 | L37-F215 HydrophobicContact CD2-CD1 3.79Å; L37-F215 HydrophobicContact CD2-CE1 3.94Å; L39-F215 HydrophobicContact CD1-CE1 4.47Å; W211-F215 HydrophobicContact CB-CE1 3.78Å; W211-F215 HydrophobicContact CB-CZ 4.14Å; W211-F215 WeakPolarHBondContact O-CD1 3.45Å; W211-F215 VanDerWaalsContact O-CE1 3.25Å; W211-F215 WeakPolarHBondContact O-CE1 3.3Å; I212-F215 HydrophobicContact CD1-CB 4.33Å; I212-F215 HydrophobicContact CD1-CD2 3.59Å; I212-F215 HydrophobicContact CD1-CE2 4.18Å; I212-F215 HydrophobicContact CD1-CG 4.11Å; I212-F215 PolarHBondContact O-N 3.27Å; F215-I253 HydrophobicContact CZ-CD1 4.14Å; F215-W258 HydrophobicContact CB-CB 4.41Å; F215-W258 HydrophobicContact CB-CD2 4.15Å; F215-W258 HydrophobicContact CB-CE3 4.17Å; F215-W258 HydrophobicContact CB-CG 4.26Å; F215-W258 HydrophobicContact CD2-CB 3.9Å; F215-W258 AromaticContact CD2-CD1 3.92Å; F215-W258 HydrophobicContact CD2-CD2 4.44Å; F215-W258 AromaticContact CD2-CG 3.81Å; F215-W258 HydrophobicContact CD2-CG 3.81Å; F215-F259 HydrophobicContact CB-CE1 4.16Å; F215-F259 HydrophobicContact CB-CZ 4.17Å; F215-F259 HydrophobicContact CD1-CE1 4.15Å; F215-F259 HydrophobicContact CD1-CE2 4.29Å; F215-F259 AromaticContact CD1-CZ 3.4Å; F215-F259 HydrophobicContact CD1-CZ 3.4Å; F215-F259 VanDerWaalsContact CD1-CZ 3.4Å; F215-F259 HydrophobicContact CD2-CE1 4.24Å; F215-F259 AromaticContact CD2-CE2 3.98Å; F215-F259 HydrophobicContact CD2-CE2 3.98Å; F215-F259 AromaticContact CD2-CZ 3.57Å; F215-F259 HydrophobicContact CD2-CZ 3.57Å; F215-F259 AromaticContact CE1-CE2 3.97Å; F215-F259 HydrophobicContact CE1-CE2 3.97Å; F215-F259 AromaticContact CE1-CZ 3.48Å; F215-F259 HydrophobicContact CE1-CZ 3.48Å; F215-F259 VanDerWaalsContact CE1-CZ 3.48Å; F215-F259 AromaticContact CE2-CE2 3.65Å; F215-F259 HydrophobicContact CE2-CE2 3.65Å; F215-F259 AromaticContact CE2-CZ 3.66Å; F215-F259 HydrophobicContact CE2-CZ 3.66Å; F215-F259 AromaticContact CG-CE1 3.94Å; F215-F259 HydrophobicContact CG-CE1 3.94Å; F215-F259 HydrophobicContact CG-CE2 4.29Å; F215-F259 AromaticContact CG-CZ 3.44Å; F215-F259 HydrophobicContact CG-CZ 3.44Å; F215-F259 VanDerWaalsContact CG-CZ 3.44Å; F215-F259 AromaticContact CZ-CE2 3.64Å; F215-F259 HydrophobicContact CZ-CE2 3.64Å; F215-F259 AromaticContact CZ-CZ 3.61Å; F215-F259 HydrophobicContact CZ-CZ 3.61Å | ||
| 216 | E | 93.2 | Very high | 95.9 | Very high | 151 Ų | 151 | 43.7 Ų | 43.7 | 71% | 0.706 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | 135.9 | 178.1 | -174.6 | 173.1 | -164.1 | 0 | 0 | 111.7 | K35 C214 V218 | K35-E216 PolarHBondContact NZ-O 3.01Å; C214-E216 PolarHBondContact O-N 2.95Å; E216-V218 VanDerWaalsContact C-N 3.28Å; E216-V218 PolarHBondContact O-N 3.08Å |
| 217 | G | 91.4 | Very high | 96 | Very high | 62 Ų | 62 | 40.2 Ų | 40.2 | 64% | 0.639 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 25.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | K35 T219 | K35-G217 WeakPolarHBondContact CB-O 2.97Å; K35-G217 WeakPolarHBondContact CD-O 3.17Å; G217-T219 PolarHBondContact O-N 3.1Å |
| 218 | V | 95.2 | Very high | 96.1 | Very high | 12 Ų | 12 | 39.3 Ų | 39.3 | 7% | 0.073 | 20% | 0.2 | C | C | . | . | trans | -74.7 | 120.1 | 178 | 179.3 | 0 | 0 | 0 | 0 | 110.1 | K35 L37 C214 E216 A220 I221 F259 T262 | K35-V218 HydrophobicContact CD-CG2 4.34Å; L37-V218 HydrophobicContact CB-CG1 3.82Å; L37-V218 HydrophobicContact CB-CG2 4.15Å; L37-V218 HydrophobicContact CD2-CG2 4Å; C214-V218 WeakPolarHBondContact O-CG2 3.43Å; E216-V218 VanDerWaalsContact C-N 3.28Å; E216-V218 PolarHBondContact O-N 3.08Å; V218-A220 WeakPolarHBondContact CG1-O 3.47Å; V218-I221 HydrophobicContact CG1-CG1 3.94Å; V218-F259 HydrophobicContact CB-CE1 4.42Å; V218-F259 HydrophobicContact CG2-CE1 4.28Å; V218-T262 HydrophobicContact CB-CG2 4.25Å; V218-T262 HydrophobicContact CG1-CG2 3.76Å; V218-T262 WeakPolarHBondContact O-CG2 3.28Å; V218-T262 PolarHBondContact O-OG1 3.31Å | ||
| 219 | T | 93.1 | Very high | 96.2 | Very high | 37 Ų | 37 | 37.4 Ų | 37.4 | 23% | 0.227 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -73.3 | -47.8 | 175.3 | -46 | 0 | 0 | 0 | 0 | 110.8 | V34 K35 G217 I343 | V34-T219 HydrophobicContact CG1-CG2 3.99Å; K35-T219 PolarHBondContact N-OG1 3.17Å; K35-T219 WeakPolarHBondContact O-CB 3.27Å; K35-T219 PolarHBondContact O-N 3.49Å; G217-T219 PolarHBondContact O-N 3.1Å; T219-I343 HydrophobicContact CG2-CG2 3.99Å |
| 220 | A | 95.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 149.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | K35 L36 L37 V218 S263 I265 I343 | K35-A220 PolarHBondContact O-N 3.47Å; L36-A220 WeakPolarHBondContact CA-O 3.34Å; L36-A220 HydrophobicContact CD2-CB 3.82Å; L37-A220 PolarHBondContact N-O 3.26Å; V218-A220 WeakPolarHBondContact CG1-O 3.47Å; A220-S263 CarbonylContact C-O 3.49Å; A220-S263 WeakPolarHBondContact CA-O 3.31Å; A220-I265 HydrophobicContact CB-CD1 3.71Å; A220-I343 HydrophobicContact CB-CD1 4.02Å; A220-I343 HydrophobicContact CB-CG1 4.09Å |
| 221 | I | 97.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 131.2 | 172.9 | -64.6 | 170.3 | 0 | 0 | 0 | 108.5 | L37 L39 V218 F223 I253 F259 T262 S263 I264 I265 | L37-I221 HydrophobicContact CB-CG1 4.44Å; L37-I221 WeakPolarHBondContact O-CA 3.28Å; L39-I221 HydrophobicContact CB-CG2 4.32Å; L39-I221 HydrophobicContact CD1-CD1 4.34Å; L39-I221 HydrophobicContact CD1-CG2 3.99Å; L39-I221 HydrophobicContact CG-CG2 4.23Å; V218-I221 HydrophobicContact CG1-CG1 3.94Å; I221-F223 HydrophobicContact CG2-CB 4.41Å; I221-I253 HydrophobicContact CD1-CG2 3.99Å; I221-I253 HydrophobicContact CG2-CG2 4.39Å; I221-F259 HydrophobicContact CD1-CB 4.05Å; I221-F259 HydrophobicContact CD1-CD1 3.58Å; I221-F259 HydrophobicContact CD1-CD2 3.4Å; I221-F259 VanDerWaalsContact CD1-CD2 3.4Å; I221-F259 HydrophobicContact CD1-CE1 3.71Å; I221-F259 HydrophobicContact CD1-CE2 3.55Å; I221-F259 HydrophobicContact CD1-CG 3.4Å; I221-F259 HydrophobicContact CD1-CZ 3.66Å; I221-F259 HydrophobicContact CG1-CE1 4.45Å; I221-T262 HydrophobicContact CD1-CG2 4.2Å; I221-T262 HydrophobicContact CG1-CG2 3.94Å; I221-S263 PolarHBondContact N-O 3.12Å; I221-I264 HydrophobicContact CB-CG1 4.37Å; I221-I264 HydrophobicContact CD1-CG1 4.48Å; I221-I265 PolarHBondContact O-N 3.34Å |
| 222 | I | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 110.5 | 163.1 | -60.5 | 172.2 | 0 | 0 | 0 | 106.8 | L36 L37 L38 L39 I265 F267 F336 | L36-I222 HydrophobicContact CD1-CD1 4.28Å; L37-I222 PolarHBondContact O-N 3.21Å; L38-I222 WeakPolarHBondContact CA-O 3.16Å; L38-I222 HydrophobicContact CD2-CB 3.63Å; L38-I222 HydrophobicContact CD2-CD1 3.88Å; L38-I222 HydrophobicContact CD2-CG1 4.23Å; L38-I222 HydrophobicContact CD2-CG2 4.06Å; L39-I222 PolarHBondContact N-O 3.32Å; I222-I265 CarbonylContact C-O 3.5Å; I222-I265 WeakPolarHBondContact CA-O 3.45Å; I222-I265 HydrophobicContact CG1-CB 4.31Å; I222-I265 HydrophobicContact CG1-CD1 4.37Å; I222-F267 HydrophobicContact CD1-CE2 4.47Å; I222-F267 HydrophobicContact CD1-CZ 4.33Å; I222-F267 HydrophobicContact CG2-CB 4.34Å; I222-F267 HydrophobicContact CG2-CD1 4.02Å; I222-F267 HydrophobicContact CG2-CD2 3.46Å; I222-F267 VanDerWaalsContact CG2-CD2 3.46Å; I222-F267 HydrophobicContact CG2-CE1 4.16Å; I222-F267 HydrophobicContact CG2-CE2 3.6Å; I222-F267 HydrophobicContact CG2-CG 3.67Å; I222-F267 HydrophobicContact CG2-CZ 3.95Å; I222-F336 HydrophobicContact CD1-CE2 4.34Å |
| 223 | F | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 112.5 | 176.3 | -165.8 | -83.2 | 0 | 0 | 0 | 109.9 | L39 I221 V225 L249 F250 I253 I265 L266 F267 | L39-F223 HydrophobicContact CB-CD2 3.83Å; L39-F223 HydrophobicContact CB-CE2 4.3Å; L39-F223 CarbonylContact O-C 3.59Å; L39-F223 WeakPolarHBondContact O-CA 3.37Å; I221-F223 HydrophobicContact CG2-CB 4.41Å; F223-V225 HydrophobicContact CD1-CG2 3.81Å; F223-V225 HydrophobicContact CE1-CG2 3.83Å; F223-L249 HydrophobicContact CE2-CD2 4.47Å; F223-L249 HydrophobicContact CE2-CG 4.01Å; F223-L249 HydrophobicContact CZ-CB 4.06Å; F223-L249 HydrophobicContact CZ-CD2 4.14Å; F223-L249 HydrophobicContact CZ-CG 3.88Å; F223-F250 HydrophobicContact CB-CD2 4.03Å; F223-F250 HydrophobicContact CB-CE2 4.09Å; F223-F250 HydrophobicContact CD1-CB 4.29Å; F223-F250 AromaticContact CD1-CD2 3.53Å; F223-F250 HydrophobicContact CD1-CD2 3.53Å; F223-F250 HydrophobicContact CD1-CE2 4.3Å; F223-F250 HydrophobicContact CD1-CG 4.31Å; F223-F250 AromaticContact CD2-CD2 3.93Å; F223-F250 HydrophobicContact CD2-CD2 3.93Å; F223-F250 HydrophobicContact CE1-CB 3.74Å; F223-F250 AromaticContact CE1-CD2 3.88Å; F223-F250 HydrophobicContact CE1-CD2 3.88Å; F223-F250 HydrophobicContact CE1-CG 4.25Å; F223-F250 HydrophobicContact CE2-CB 4.3Å; F223-F250 HydrophobicContact CE2-CD2 4.24Å; F223-F250 AromaticContact CG-CD2 3.55Å; F223-F250 HydrophobicContact CG-CD2 3.55Å; F223-F250 HydrophobicContact CG-CE2 4.13Å; F223-F250 HydrophobicContact CZ-CB 3.74Å; F223-F250 HydrophobicContact CZ-CD2 4.21Å; F223-I253 HydrophobicContact CD2-CB 4.37Å; F223-I253 HydrophobicContact CD2-CG1 4.42Å; F223-I253 HydrophobicContact CD2-CG2 4.29Å; F223-I253 HydrophobicContact CE2-CB 4.31Å; F223-I253 HydrophobicContact CE2-CG1 4.05Å; F223-I265 PolarHBondContact N-O 3.45Å; F223-L266 HydrophobicContact CD1-CD1 4.12Å; F223-F267 PolarHBondContact O-N 3.26Å |
| 224 | C | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 125.1 | -179.8 | -61.2 | 0 | 0 | 0 | 0 | 111.5 | L39 S44 K46 | L39-C224 PolarHBondContact O-N 2.96Å; S44-C224 WeakPolarHBondContact CB-O 3.26Å; S44-C224 WeakPolarHBondContact OG-CB 3.46Å; S44-C224 PolarHBondContact OG-O 3.18Å; S44-C224 VanDerWaalsContact OG-O 3.06Å; K46-C224 HydrophobicContact CG-CB 3.98Å |
| 225 | V | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 132.8 | 172.6 | 179.9 | 0 | 0 | 0 | 0 | 108.5 | F223 L227 M243 L266 F267 L268 N269 F307 | F223-V225 HydrophobicContact CD1-CG2 3.81Å; F223-V225 HydrophobicContact CE1-CG2 3.83Å; V225-L227 PolarHBondContact O-N 2.95Å; V225-M243 HydrophobicContact CG1-CE 4.16Å; V225-M243 HydrophobicContact CG1-SD 3.8Å; V225-L266 HydrophobicContact CG2-CD1 3.64Å; V225-F267 PolarHBondContact N-O 3.09Å; V225-L268 HydrophobicContact CB-CD2 3.98Å; V225-L268 HydrophobicContact CG1-CD2 4.23Å; V225-L268 HydrophobicContact CG2-CD2 4.25Å; V225-N269 WeakPolarHBondContact O-CA 3.33Å; V225-N269 WeakPolarHBondContact O-CB 3.47Å; V225-N269 PolarHBondContact O-N 2.89Å; V225-F307 HydrophobicContact CB-CZ 4.28Å; V225-F307 HydrophobicContact CG1-CE1 4.25Å; V225-F307 HydrophobicContact CG1-CE2 3.84Å; V225-F307 HydrophobicContact CG1-CZ 3.56Å; V225-F307 HydrophobicContact CG2-CD1 3.95Å; V225-F307 HydrophobicContact CG2-CE1 3.44Å; V225-F307 VanDerWaalsContact CG2-CE1 3.44Å; V225-F307 HydrophobicContact CG2-CE2 4.33Å; V225-F307 HydrophobicContact CG2-CZ 3.66Å |
| 226 | A | 98.5 | Very high | 96.5 | Very high | 5 Ų | 5 | 24.6 Ų | 24.6 | 4% | 0.041 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 107.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | S228 D229 M243 K270 | A226-S228 PolarHBondContact O-N 3.2Å; A226-D229 HydrophobicContact CB-CB 3.94Å; A226-D229 VanDerWaalsContact CB-CG 3.41Å; A226-D229 VanDerWaalsContact CB-OD1 3.28Å; A226-D229 WeakPolarHBondContact CB-OD1 3.29Å; A226-D229 WeakPolarHBondContact O-CB 3.18Å; A226-D229 PolarHBondContact O-N 2.85Å; A226-D229 VanDerWaalsContact O-N 3.16Å; A226-M243 WeakPolarHBondContact O-CE 3.49Å; A226-K270 HydrophobicContact CB-CD 3.74Å; A226-K270 HydrophobicContact CB-CG 4.44Å |
| 227 | L | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -58.5 | -40 | 176.9 | -75.4 | 176 | 0 | 0 | 0 | 111.6 | V225 D229 Y230 L268 N269 K271 F274 I303 F323 | V225-L227 PolarHBondContact O-N 2.95Å; L227-D229 PolarHBondContact O-N 3.48Å; L227-D229 VanDerWaalsContact O-N 3.1Å; L227-Y230 VanDerWaalsContact O-CD1 3.31Å; L227-Y230 WeakPolarHBondContact O-CD1 3.41Å; L227-L268 HydrophobicContact CD1-CB 3.97Å; L227-L268 HydrophobicContact CD2-CB 4.03Å; L227-L268 HydrophobicContact CD2-CD2 4.22Å; L227-L268 HydrophobicContact CD2-CG 4.49Å; L227-L268 HydrophobicContact CG-CB 3.96Å; L227-N269 WeakPolarHBondContact CB-O 3.16Å; L227-N269 PolarHBondContact N-O 3.11Å; L227-K271 HydrophobicContact CD1-CB 4.2Å; L227-F274 HydrophobicContact CB-CB 3.64Å; L227-F274 HydrophobicContact CB-CD1 4.34Å; L227-F274 HydrophobicContact CB-CD2 4Å; L227-F274 HydrophobicContact CB-CG 3.73Å; L227-F274 HydrophobicContact CD1-CD1 4.33Å; L227-F274 HydrophobicContact CD1-CG 4.49Å; L227-F274 WeakPolarHBondContact O-CD2 3.36Å; L227-I303 HydrophobicContact CD2-CB 4.18Å; L227-I303 HydrophobicContact CD2-CD1 3.98Å; L227-I303 HydrophobicContact CD2-CG2 3.71Å; L227-F323 HydrophobicContact CD1-CD1 3.84Å; L227-F323 HydrophobicContact CD1-CE1 4.12Å |
| 228 | S | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -65.3 | -10.2 | -179.8 | 60.8 | 0 | 0 | 0 | 0 | 114.7 | A226 Y230 K270 K277 | A226-S228 PolarHBondContact O-N 3.2Å; S228-Y230 VanDerWaalsContact C-N 3.32Å; S228-Y230 PolarHBondContact O-N 3.35Å; S228-K270 WeakPolarHBondContact OG-CD 3.28Å; S228-K277 WeakPolarHBondContact O-CD 3.32Å; S228-K277 WeakPolarHBondContact O-CE 3.39Å; S228-K277 PolarHBondContact O-NZ 3.43Å |
| 229 | D | 98 | Very high | 96.5 | Very high | 9 Ų | 9 | 32.1 Ų | 32.1 | 5% | 0.048 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -87.5 | 1.7 | -173.6 | -75.3 | 32.3 | 0 | 0 | 0 | 113 | A226 L227 D231 L232 R242 K270 | A226-D229 HydrophobicContact CB-CB 3.94Å; A226-D229 VanDerWaalsContact CB-CG 3.41Å; A226-D229 VanDerWaalsContact CB-OD1 3.28Å; A226-D229 WeakPolarHBondContact CB-OD1 3.29Å; A226-D229 WeakPolarHBondContact O-CB 3.18Å; A226-D229 PolarHBondContact O-N 2.85Å; A226-D229 VanDerWaalsContact O-N 3.16Å; L227-D229 PolarHBondContact O-N 3.48Å; L227-D229 VanDerWaalsContact O-N 3.1Å; D229-D231 PolarHBondContact O-N 3.25Å; D229-D231 VanDerWaalsContact O-N 3.16Å; D229-L232 HydrophobicContact CB-CD1 4.37Å; D229-L232 PolarHBondContact O-N 3.18Å; D229-L232 VanDerWaalsContact O-N 3.08Å; D229-R242 HydrophobicContact CB-CB 3.85Å; D229-R242 WeakPolarHBondContact OD2-CD 3.36Å; D229-R242 IonicContact OD2-NH1 3.44Å; D229-R242 PolarHBondContact OD2-NH1 2.98Å; D229-R242 VanDerWaalsContact OD2-NH1 3.14Å; D229-K270 IonicContact OD1-NZ 3.02Å; D229-K270 PolarHBondContact OD1-NZ 3.18Å |
| 230 | Y | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -57.4 | -28.4 | -178.4 | 74.1 | -83.7 | 0 | 0 | 0 | 114.8 | L227 S228 N241 F274 K277 I278 S281 L283 C286 | L227-Y230 VanDerWaalsContact O-CD1 3.31Å; L227-Y230 WeakPolarHBondContact O-CD1 3.41Å; S228-Y230 VanDerWaalsContact C-N 3.32Å; S228-Y230 PolarHBondContact O-N 3.35Å; Y230-N241 PolarHBondContact O-ND2 2.68Å; Y230-F274 AromaticContact CD1-CD2 3.74Å; Y230-F274 HydrophobicContact CD1-CD2 3.74Å; Y230-F274 AromaticContact CD1-CE2 3.71Å; Y230-F274 HydrophobicContact CD1-CE2 3.71Å; Y230-F274 AromaticContact CE1-CD2 3.64Å; Y230-F274 HydrophobicContact CE1-CD2 3.64Å; Y230-F274 AromaticContact CE1-CE2 3.69Å; Y230-F274 HydrophobicContact CE1-CE2 3.69Å; Y230-F274 HydrophobicContact CG-CE2 4.46Å; Y230-K277 HydrophobicContact CD1-CD 4.46Å; Y230-K277 HydrophobicContact CE1-CB 4.47Å; Y230-K277 HydrophobicContact CE1-CD 3.63Å; Y230-K277 HydrophobicContact CE1-CG 4.07Å; Y230-K277 PolarHBondContact OH-O 3.39Å; Y230-I278 HydrophobicContact CE2-CD1 4.38Å; Y230-I278 WeakPolarHBondContact OH-CA 3.14Å; Y230-I278 PolarHBondContact OH-N 3.08Å; Y230-S281 WeakPolarHBondContact CE2-O 3.42Å; Y230-S281 WeakPolarHBondContact OH-CB 3.19Å; Y230-S281 PolarHBondContact OH-O 2.6Å; Y230-L283 HydrophobicContact CD2-CD1 4.01Å; Y230-L283 HydrophobicContact CG-CD1 4.23Å; Y230-C286 WeakPolarHBondContact O-CB 3.35Å |
| 231 | D | 97.4 | Very high | 96.8 | Very high | 15 Ų | 15 | 33.2 Ų | 33.2 | 8% | 0.08 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -105.5 | 16.4 | 179.6 | 71.9 | -13.3 | 0 | 0 | 0 | 113.5 | D229 K277 S281 I285 | D229-D231 PolarHBondContact O-N 3.25Å; D229-D231 VanDerWaalsContact O-N 3.16Å; D231-K277 WeakPolarHBondContact OD1-CD 2.97Å; D231-K277 IonicContact OD1-NZ 3.53Å; D231-K277 PolarHBondContact OD1-NZ 3.47Å; D231-S281 VanDerWaalsContact OD2-CB 3.32Å; D231-S281 WeakPolarHBondContact OD2-CB 3.39Å; D231-S281 PolarHBondContact OD2-OG 3.18Å; D231-I285 HydrophobicContact CB-CD1 4.3Å; D231-I285 HydrophobicContact CB-CG2 4.22Å |
| 232 | L | 97.5 | Very high | 96.9 | Very high | 18 Ų | 18 | 34.1 Ų | 34.1 | 9% | 0.094 | 18% | 0.178 | C | C | . | . | trans | -111.6 | 155.5 | -177.7 | -58 | -175.8 | 0 | 0 | 0 | 112 | R144 D229 N241 R242 | R144-L232 HydrophobicContact CB-CD2 3.83Å; D229-L232 HydrophobicContact CB-CD1 4.37Å; D229-L232 PolarHBondContact O-N 3.18Å; D229-L232 VanDerWaalsContact O-N 3.08Å; L232-N241 WeakPolarHBondContact O-CA 3.46Å; L232-R242 HydrophobicContact CB-CB 4.42Å; L232-R242 HydrophobicContact CB-CG 3.88Å; L232-R242 PolarHBondContact O-N 2.63Å | ||
| 233 | V | 97.1 | Very high | 96.9 | Very high | 50 Ų | 50 | 34.2 Ų | 34.2 | 30% | 0.303 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 155.9 | 169 | -60.7 | 0 | 0 | 0 | 0 | 111.3 | Q147 E238 M240 R242 | Q147-V233 PolarHBondContact NE2-O 3.45Å; Q147-V233 VanDerWaalsContact NE2-O 3.12Å; V233-E238 WeakPolarHBondContact CG1-O 3.33Å; V233-M240 CarbonylContact C-O 3.49Å; V233-M240 VanDerWaalsContact CA-O 3.29Å; V233-M240 WeakPolarHBondContact CA-O 3.42Å; V233-R242 VanDerWaalsContact C-CG 3.42Å; V233-R242 WeakPolarHBondContact O-CG 3.49Å; V233-R242 PolarHBondContact O-NE 3.08Å |
| 234 | L | 95.9 | Very high | 96.9 | Very high | 9 Ų | 9 | 37.6 Ų | 37.6 | 5% | 0.047 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 146.4 | 177.6 | -65.6 | 174.5 | 0 | 0 | 0 | 110.8 | E236 D237 M240 R242 E245 | L234-E236 PolarHBondContact O-N 3.41Å; L234-D237 HydrophobicContact CB-CB 4.19Å; L234-D237 HydrophobicContact CD1-CB 4.24Å; L234-D237 PolarHBondContact N-O 2.94Å; L234-D237 CarbonylContact O-C 3.57Å; L234-D237 PolarHBondContact O-N 3.48Å; L234-M240 HydrophobicContact CD1-CB 3.81Å; L234-M240 HydrophobicContact CD1-CG 3.63Å; L234-M240 HydrophobicContact CG-CB 4.23Å; L234-M240 HydrophobicContact CG-CG 4.23Å; L234-M240 PolarHBondContact N-O 3.36Å; L234-R242 HydrophobicContact CD2-CB 4.43Å; L234-R242 HydrophobicContact CD2-CG 3.95Å; L234-R242 HydrophobicContact CG-CG 4.4Å; L234-E245 HydrophobicContact CD1-CB 3.9Å; L234-E245 HydrophobicContact CD1-CG 3.67Å; L234-E245 HydrophobicContact CD2-CB 4.12Å; L234-E245 HydrophobicContact CD2-CG 3.96Å; L234-E245 HydrophobicContact CG-CB 4.29Å; L234-E245 HydrophobicContact CG-CG 4.34Å |
| 235 | A | 93.6 | Very high | 96.8 | Very high | 63 Ų | 63 | 38 Ų | 38 | 52% | 0.521 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -28.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q147 | Q147-A235 HydrophobicContact CG-CB 4.17Š|
| 236 | E | 94.3 | Very high | 96.8 | Very high | 86 Ų | 86 | 38.3 Ų | 38.3 | 40% | 0.402 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -11.8 | 177.9 | -56.5 | 99.9 | 132.6 | 0 | 0 | 114.1 | Q204 R205 L234 | Q204-E236 WeakPolarHBondContact CA-OE1 3.41Å; Q204-E236 VanDerWaalsContact CB-OE1 3.25Å; Q204-E236 WeakPolarHBondContact CB-OE1 3.37Å; Q204-E236 WeakPolarHBondContact CG-OE1 3.44Å; R205-E236 PolarHBondContact N-OE1 2.86Å; L234-E236 PolarHBondContact O-N 3.41Å |
| 237 | D | 94.4 | Very high | 96.8 | Very high | 44 Ų | 44 | 39.2 Ų | 39.2 | 24% | 0.235 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.7 | 98 | -170.4 | -175 | -13.3 | 0 | 0 | 0 | 110.1 | R205 L234 E239 M240 | R205-D237 IonicContact CZ-OD2 2.66Å; R205-D237 IonicContact NH1-OD2 2.76Å; R205-D237 PolarHBondContact NH1-OD2 2.93Å; R205-D237 IonicContact NH2-OD2 3.8Å; R205-D237 PolarHBondContact NH2-OD2 2.91Å; L234-D237 HydrophobicContact CB-CB 4.19Å; L234-D237 HydrophobicContact CD1-CB 4.24Å; L234-D237 PolarHBondContact N-O 2.94Å; L234-D237 CarbonylContact O-C 3.57Å; L234-D237 PolarHBondContact O-N 3.48Å; D237-E239 PolarHBondContact O-N 3.46Å; D237-E239 PolarHBondContact OD1-N 3.49Å; D237-M240 HydrophobicContact CB-CB 4.03Å; D237-M240 PolarHBondContact O-N 3Å; D237-M240 PolarHBondContact OD1-N 3.32Å |
| 238 | E | 92 | Very high | 96.8 | Very high | 152 Ų | 152 | 44.9 Ų | 44.9 | 71% | 0.71 | 23% | 0.226 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -70.9 | -7 | -173.1 | -63.4 | -172.5 | 166.2 | 0 | 0 | 113.9 | V233 | V233-E238 WeakPolarHBondContact CG1-O 3.33Å |
| 239 | E | 94.1 | Very high | 96.8 | Very high | 186 Ų | 186 | 45.5 Ų | 45.5 | 87% | 0.869 | 23% | 0.229 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -18.7 | 174.9 | -61 | -173 | 157.7 | 0 | 0 | 112.4 | D237 | D237-E239 PolarHBondContact O-N 3.46Å; D237-E239 PolarHBondContact OD1-N 3.49Å |
| 240 | M | 96.6 | Very high | 96.8 | Very high | 38 Ų | 38 | 45.1 Ų | 45.1 | 19% | 0.187 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 116.3 | -176.6 | -172.9 | 67.8 | 61.9 | 0 | 0 | 111.6 | V233 L234 D237 R242 E245 K248 | V233-M240 CarbonylContact C-O 3.49Å; V233-M240 VanDerWaalsContact CA-O 3.29Å; V233-M240 WeakPolarHBondContact CA-O 3.42Å; L234-M240 HydrophobicContact CD1-CB 3.81Å; L234-M240 HydrophobicContact CD1-CG 3.63Å; L234-M240 HydrophobicContact CG-CB 4.23Å; L234-M240 HydrophobicContact CG-CG 4.23Å; L234-M240 PolarHBondContact N-O 3.36Å; D237-M240 HydrophobicContact CB-CB 4.03Å; D237-M240 PolarHBondContact O-N 3Å; D237-M240 PolarHBondContact OD1-N 3.32Å; M240-R242 PolarHBondContact O-N 2.92Å; M240-E245 HydrophobicContact CG-CB 4.03Å; M240-K248 PolarHBondContact SD-NZ 3.39Å |
| 241 | N | 97.8 | Very high | 96.8 | Very high | 22 Ų | 22 | 47 Ų | 47 | 12% | 0.118 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 133.3 | 169 | -178.9 | -75.5 | 0 | 0 | 0 | 111.3 | Y230 L232 M243 H244 E245 | Y230-N241 PolarHBondContact O-ND2 2.68Å; L232-N241 WeakPolarHBondContact O-CA 3.46Å; N241-M243 PolarHBondContact O-N 2.75Å; N241-M243 WeakPolarHBondContact OD1-CA 3.35Å; N241-M243 VanDerWaalsContact OD1-CB 3.3Å; N241-M243 WeakPolarHBondContact OD1-CB 3.35Å; N241-M243 PolarHBondContact OD1-N 3.12Å; N241-H244 HydrophobicContact CB-CB 4.21Å; N241-H244 PolarHBondContact O-N 3.24Å; N241-H244 PolarHBondContact OD1-N 2.89Å; N241-E245 PolarHBondContact O-N 2.92Å |
| 242 | R | 98 | Very high | 96.8 | Very high | 20 Ų | 20 | 49.5 Ų | 49.5 | 8% | 0.075 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.6 | -36 | -176.1 | -67.2 | -162.2 | 178.3 | -164 | -3.6 | 113.3 | E43 D229 L232 V233 L234 M240 E245 S246 | E43-R242 IonicContact OE2-CZ 3.45Å; E43-R242 IonicContact OE2-NH1 3.69Å; E43-R242 PolarHBondContact OE2-NH1 3.4Å; E43-R242 IonicContact OE2-NH2 3.32Å; E43-R242 PolarHBondContact OE2-NH2 3.16Å; E43-R242 VanDerWaalsContact OE2-NH2 3.15Å; D229-R242 HydrophobicContact CB-CB 3.85Å; D229-R242 WeakPolarHBondContact OD2-CD 3.36Å; D229-R242 IonicContact OD2-NH1 3.44Å; D229-R242 PolarHBondContact OD2-NH1 2.98Å; D229-R242 VanDerWaalsContact OD2-NH1 3.14Å; L232-R242 HydrophobicContact CB-CB 4.42Å; L232-R242 HydrophobicContact CB-CG 3.88Å; L232-R242 PolarHBondContact O-N 2.63Å; V233-R242 VanDerWaalsContact C-CG 3.42Å; V233-R242 WeakPolarHBondContact O-CG 3.49Å; V233-R242 PolarHBondContact O-NE 3.08Å; L234-R242 HydrophobicContact CD2-CB 4.43Å; L234-R242 HydrophobicContact CD2-CG 3.95Å; L234-R242 HydrophobicContact CG-CG 4.4Å; M240-R242 PolarHBondContact O-N 2.92Å; R242-E245 PolarHBondContact O-N 3.46Å; R242-S246 WeakPolarHBondContact O-CB 3.31Å; R242-S246 PolarHBondContact O-N 3.43Å |
| 243 | M | 98.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.4 | -43.4 | 177.3 | -175.5 | 63.5 | 76 | 0 | 0 | 111.2 | V225 A226 N241 E245 S246 M247 Y287 I303 F307 | V225-M243 HydrophobicContact CG1-CE 4.16Å; V225-M243 HydrophobicContact CG1-SD 3.8Å; A226-M243 WeakPolarHBondContact O-CE 3.49Å; N241-M243 PolarHBondContact O-N 2.75Å; N241-M243 WeakPolarHBondContact OD1-CA 3.35Å; N241-M243 VanDerWaalsContact OD1-CB 3.3Å; N241-M243 WeakPolarHBondContact OD1-CB 3.35Å; N241-M243 PolarHBondContact OD1-N 3.12Å; M243-E245 VanDerWaalsContact C-N 3.34Å; M243-E245 PolarHBondContact O-N 3.17Å; M243-S246 CarbonylContact O-C 3.4Å; M243-S246 WeakPolarHBondContact O-CA 3.37Å; M243-S246 WeakPolarHBondContact O-CB 3.37Å; M243-S246 PolarHBondContact O-N 3.18Å; M243-S246 VanDerWaalsContact O-N 3.09Å; M243-M247 WeakPolarHBondContact O-CG 3.49Å; M243-M247 PolarHBondContact O-N 3.18Å; M243-Y287 HydrophobicContact CG-CE2 4.34Å; M243-Y287 VanDerWaalsContact CG-OH 3.23Å; M243-Y287 WeakPolarHBondContact CG-OH 3.49Å; M243-I303 HydrophobicContact CE-CD1 4.37Å; M243-I303 HydrophobicContact CE-CG2 4.23Å; M243-I303 HydrophobicContact SD-CG2 4.31Å; M243-F307 HydrophobicContact SD-CE2 3.51Å; M243-F307 VanDerWaalsContact SD-CE2 3.51Å; M243-F307 HydrophobicContact SD-CZ 3.74Å |
| 244 | H | 98.2 | Very high | 96.8 | Very high | 71 Ų | 71 | 46.5 Ų | 46.5 | 33% | 0.329 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.2 | -40 | 173.1 | -70.2 | 152.9 | 0 | 0 | 0 | 112.9 | N241 S246 M247 K248 C286 | N241-H244 HydrophobicContact CB-CB 4.21Å; N241-H244 PolarHBondContact O-N 3.24Å; N241-H244 PolarHBondContact OD1-N 2.89Å; H244-S246 VanDerWaalsContact C-N 3.33Å; H244-M247 PolarHBondContact O-N 3.44Å; H244-K248 WeakPolarHBondContact O-CG 3.42Å; H244-K248 PolarHBondContact O-N 3.28Å; H244-C286 PolarHBondContact CE1-O 3.22Å; H244-C286 PolarHBondContact NE2-O 3.37Å; H244-C286 VanDerWaalsContact NE2-O 3.13Å |
| 245 | E | 98 | Very high | 96.8 | Very high | 10 Ų | 10 | 47.4 Ų | 47.4 | 5% | 0.047 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.6 | -44 | 171.6 | 178.2 | 74.6 | 175.7 | 0 | 0 | 111.4 | R205 R208 L234 M240 N241 R242 M243 M247 K248 L249 | R205-E245 IonicContact CZ-OE1 3.12Å; R205-E245 IonicContact CZ-OE2 3.54Å; R205-E245 IonicContact NE-OE1 3.62Å; R205-E245 PolarHBondContact NE-OE1 3.42Å; R205-E245 IonicContact NE-OE2 2.97Å; R205-E245 IonicContact NH2-OE1 3Å; R205-E245 IonicContact NH2-OE2 3.28Å; R205-E245 PolarHBondContact NH2-OE2 3.17Å; R208-E245 IonicContact CZ-OE1 2.76Å; R208-E245 IonicContact NH1-OE1 2.63Å; R208-E245 PolarHBondContact NH1-OE1 2.67Å; R208-E245 IonicContact NH2-OE1 2.9Å; R208-E245 PolarHBondContact NH2-OE1 2.88Å; L234-E245 HydrophobicContact CD1-CB 3.9Å; L234-E245 HydrophobicContact CD1-CG 3.67Å; L234-E245 HydrophobicContact CD2-CB 4.12Å; L234-E245 HydrophobicContact CD2-CG 3.96Å; L234-E245 HydrophobicContact CG-CB 4.29Å; L234-E245 HydrophobicContact CG-CG 4.34Å; M240-E245 HydrophobicContact CG-CB 4.03Å; N241-E245 PolarHBondContact O-N 2.92Å; R242-E245 PolarHBondContact O-N 3.46Å; M243-E245 VanDerWaalsContact C-N 3.34Å; M243-E245 PolarHBondContact O-N 3.17Å; E245-M247 VanDerWaalsContact C-N 3.34Å; E245-M247 PolarHBondContact O-N 2.9Å; E245-K248 PolarHBondContact O-N 3.49Å; E245-L249 VanDerWaalsContact O-CB 3.31Å; E245-L249 WeakPolarHBondContact O-CB 3.36Å; E245-L249 PolarHBondContact O-N 2.96Å |
| 246 | S | 98.6 | Very high | 96.9 | Very high | 6 Ų | 6 | 46.4 Ų | 46.4 | 4% | 0.042 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.2 | -40.5 | 178 | -170.2 | 0 | 0 | 0 | 0 | 111.9 | R242 M243 H244 L249 F250 | R242-S246 WeakPolarHBondContact O-CB 3.31Å; R242-S246 PolarHBondContact O-N 3.43Å; M243-S246 CarbonylContact O-C 3.4Å; M243-S246 WeakPolarHBondContact O-CA 3.37Å; M243-S246 WeakPolarHBondContact O-CB 3.37Å; M243-S246 PolarHBondContact O-N 3.18Å; M243-S246 VanDerWaalsContact O-N 3.09Å; H244-S246 VanDerWaalsContact C-N 3.33Å; S246-L249 PolarHBondContact O-N 3.46Å; S246-F250 WeakPolarHBondContact O-CB 3.42Å; S246-F250 PolarHBondContact O-N 3.08Å |
| 247 | M | 98.6 | Very high | 96.9 | Very high | 23 Ų | 23 | 51.2 Ų | 51.2 | 11% | 0.113 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.2 | -48.1 | 174.9 | -73 | 178.4 | 71.1 | 0 | 0 | 112 | M243 H244 E245 L249 F250 D251 Y287 Q306 F307 L310 | M243-M247 WeakPolarHBondContact O-CG 3.49Å; M243-M247 PolarHBondContact O-N 3.18Å; H244-M247 PolarHBondContact O-N 3.44Å; E245-M247 VanDerWaalsContact C-N 3.34Å; E245-M247 PolarHBondContact O-N 2.9Å; M247-L249 PolarHBondContact O-N 3.17Å; M247-F250 PolarHBondContact O-N 3.26Å; M247-F250 VanDerWaalsContact O-N 3.11Å; M247-D251 PolarHBondContact O-N 3.02Å; M247-Y287 HydrophobicContact SD-CE1 3.9Å; M247-Y287 PolarHBondContact SD-OH 3.42Å; M247-Q306 HydrophobicContact CE-CB 3.85Å; M247-Q306 HydrophobicContact SD-CB 4.48Å; M247-F307 HydrophobicContact CB-CE1 4.47Å; M247-F307 HydrophobicContact CB-CZ 4.34Å; M247-F307 HydrophobicContact CG-CD1 4.49Å; M247-F307 HydrophobicContact CG-CD2 4.23Å; M247-F307 HydrophobicContact CG-CE1 3.91Å; M247-F307 HydrophobicContact CG-CE2 3.62Å; M247-F307 HydrophobicContact CG-CZ 3.43Å; M247-F307 VanDerWaalsContact CG-CZ 3.43Å; M247-L310 HydrophobicContact CB-CD1 3.92Å; M247-L310 HydrophobicContact CE-CD1 4.19Å; M247-L310 HydrophobicContact CG-CD1 4.29Å; M247-L310 WeakPolarHBondContact O-CD1 3.25Å |
| 248 | K | 98.2 | Very high | 96.9 | Very high | 120 Ų | 120 | 56.1 Ų | 56.1 | 52% | 0.522 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -56.8 | -41 | 175.3 | -73.8 | 173.2 | -177.9 | 172.8 | 0 | 111.7 | M240 H244 E245 S252 | M240-K248 PolarHBondContact SD-NZ 3.39Å; H244-K248 WeakPolarHBondContact O-CG 3.42Å; H244-K248 PolarHBondContact O-N 3.28Å; E245-K248 PolarHBondContact O-N 3.49Å; K248-S252 PolarHBondContact O-N 3.14Å |
| 249 | L | 97.9 | Very high | 97 | Very high | 13 Ų | 13 | 48.9 Ų | 48.9 | 7% | 0.068 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67 | -42.8 | 177.4 | -171.8 | 58.8 | 0 | 0 | 0 | 111.5 | A41 W211 F223 E245 S246 M247 S252 I253 | A41-L249 HydrophobicContact CB-CD2 4.39Å; W211-L249 HydrophobicContact CH2-CD1 3.77Å; W211-L249 HydrophobicContact CH2-CD2 3.72Å; W211-L249 HydrophobicContact CH2-CG 4.01Å; W211-L249 HydrophobicContact CZ3-CD1 3.59Å; W211-L249 HydrophobicContact CZ3-CD2 4.36Å; W211-L249 HydrophobicContact CZ3-CG 4.14Å; F223-L249 HydrophobicContact CE2-CD2 4.47Å; F223-L249 HydrophobicContact CE2-CG 4.01Å; F223-L249 HydrophobicContact CZ-CB 4.06Å; F223-L249 HydrophobicContact CZ-CD2 4.14Å; F223-L249 HydrophobicContact CZ-CG 3.88Å; E245-L249 VanDerWaalsContact O-CB 3.31Å; E245-L249 WeakPolarHBondContact O-CB 3.36Å; E245-L249 PolarHBondContact O-N 2.96Å; S246-L249 PolarHBondContact O-N 3.46Å; M247-L249 PolarHBondContact O-N 3.17Å; L249-S252 PolarHBondContact O-N 3.29Å; L249-I253 WeakPolarHBondContact O-CG1 3.3Å; L249-I253 PolarHBondContact O-N 3.25Å; L249-I253 VanDerWaalsContact O-N 3.13Å |
| 250 | F | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.4 | -47.9 | 176.8 | -175.1 | -108.6 | 0 | 0 | 0 | 111.8 | F223 S246 M247 S252 I253 C254 I264 L266 F307 L310 I319 | F223-F250 HydrophobicContact CB-CD2 4.03Å; F223-F250 HydrophobicContact CB-CE2 4.09Å; F223-F250 HydrophobicContact CD1-CB 4.29Å; F223-F250 AromaticContact CD1-CD2 3.53Å; F223-F250 HydrophobicContact CD1-CD2 3.53Å; F223-F250 HydrophobicContact CD1-CE2 4.3Å; F223-F250 HydrophobicContact CD1-CG 4.31Å; F223-F250 AromaticContact CD2-CD2 3.93Å; F223-F250 HydrophobicContact CD2-CD2 3.93Å; F223-F250 HydrophobicContact CE1-CB 3.74Å; F223-F250 AromaticContact CE1-CD2 3.88Å; F223-F250 HydrophobicContact CE1-CD2 3.88Å; F223-F250 HydrophobicContact CE1-CG 4.25Å; F223-F250 HydrophobicContact CE2-CB 4.3Å; F223-F250 HydrophobicContact CE2-CD2 4.24Å; F223-F250 AromaticContact CG-CD2 3.55Å; F223-F250 HydrophobicContact CG-CD2 3.55Å; F223-F250 HydrophobicContact CG-CE2 4.13Å; F223-F250 HydrophobicContact CZ-CB 3.74Å; F223-F250 HydrophobicContact CZ-CD2 4.21Å; S246-F250 WeakPolarHBondContact O-CB 3.42Å; S246-F250 PolarHBondContact O-N 3.08Å; M247-F250 PolarHBondContact O-N 3.26Å; M247-F250 VanDerWaalsContact O-N 3.11Å; F250-S252 VanDerWaalsContact C-N 3.25Å; F250-S252 PolarHBondContact O-N 2.95Å; F250-I253 PolarHBondContact O-N 3.15Å; F250-C254 HydrophobicContact CD1-CB 4.42Å; F250-C254 HydrophobicContact CE1-CB 4.01Å; F250-C254 HydrophobicContact CE2-CB 4.22Å; F250-C254 HydrophobicContact CZ-CB 3.91Å; F250-C254 PolarHBondContact O-N 2.86Å; F250-C254 PolarHBondContact O-SG 3.44Å; F250-I264 HydrophobicContact CE2-CG2 4.01Å; F250-I264 HydrophobicContact CZ-CG2 4.39Å; F250-L266 HydrophobicContact CD2-CD1 4.28Å; F250-L266 HydrophobicContact CE2-CD1 4.01Å; F250-L266 HydrophobicContact CZ-CD1 4.43Å; F250-F307 HydrophobicContact CB-CD1 3.79Å; F250-F307 HydrophobicContact CB-CE1 3.82Å; F250-F307 HydrophobicContact CD1-CB 4.4Å; F250-F307 AromaticContact CD1-CD1 3.74Å; F250-F307 HydrophobicContact CD1-CD1 3.74Å; F250-F307 HydrophobicContact CD2-CD1 4.45Å; F250-F307 HydrophobicContact CE1-CB 4.41Å; F250-F307 HydrophobicContact CE1-CD1 4.43Å; F250-F307 WeakPolarHBondContact CE1-O 3.23Å; F250-F307 AromaticContact CG-CD1 3.73Å; F250-F307 HydrophobicContact CG-CD1 3.73Å; F250-F307 HydrophobicContact CG-CE1 4.25Å; F250-L310 HydrophobicContact CB-CD1 4.49Å; F250-L310 HydrophobicContact CD1-CB 4.09Å; F250-L310 HydrophobicContact CD1-CD1 3.98Å; F250-L310 HydrophobicContact CE1-CB 4.46Å; F250-I319 HydrophobicContact CZ-CD1 4.23Å; F250-I319 HydrophobicContact CZ-CG1 4.44Å; F250-I319 HydrophobicContact CZ-CG2 4.08Å |
| 251 | D | 98.3 | Very high | 96.6 | Very high | 40 Ų | 40 | 48.8 Ų | 48.8 | 21% | 0.214 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -53.2 | -43.9 | 175.5 | 176.6 | 50.2 | 0 | 0 | 0 | 111.5 | M247 I253 N255 L310 R312 | M247-D251 PolarHBondContact O-N 3.02Å; D251-I253 VanDerWaalsContact C-N 3.31Å; D251-I253 PolarHBondContact O-N 2.97Å; D251-N255 VanDerWaalsContact O-CB 3.31Å; D251-N255 WeakPolarHBondContact O-CB 3.43Å; D251-N255 PolarHBondContact O-N 3.49Å; D251-N255 PolarHBondContact O-ND2 3.46Å; D251-N255 VanDerWaalsContact O-ND2 3.16Å; D251-N255 PolarHBondContact OD1-ND2 3.37Å; D251-L310 HydrophobicContact CB-CB 4.29Å; D251-L310 HydrophobicContact CB-CD1 4.34Å; D251-L310 HydrophobicContact CB-CD2 4.28Å; D251-R312 VanDerWaalsContact CG-NH2 3.29Å; D251-R312 IonicContact OD1-CZ 3.19Å; D251-R312 IonicContact OD1-NE 2.69Å; D251-R312 PolarHBondContact OD1-NE 3.45Å; D251-R312 IonicContact OD1-NH2 2.68Å; D251-R312 PolarHBondContact OD1-NH2 3.36Å; D251-R312 IonicContact OD2-NH2 2.82Å; D251-R312 PolarHBondContact OD2-NH2 3.49Å |
| 252 | S | 97.2 | Very high | 96.4 | Very high | 68 Ų | 68 | 48.5 Ų | 48.5 | 48% | 0.476 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.6 | -30.2 | 176.8 | -179.7 | 0 | 0 | 0 | 0 | 113.9 | K248 L249 F250 N256 | K248-S252 PolarHBondContact O-N 3.14Å; L249-S252 PolarHBondContact O-N 3.29Å; F250-S252 VanDerWaalsContact C-N 3.25Å; F250-S252 PolarHBondContact O-N 2.95Å; S252-N256 WeakPolarHBondContact O-CB 3.46Å |
| 253 | I | 97 | Very high | 96.1 | Very high | 5 Ų | 5 | 48.5 Ų | 48.5 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -87.2 | -51.2 | -178.2 | -68.1 | -55.9 | 0 | 0 | 0 | 110.5 | L39 W211 F215 I221 F223 L249 F250 D251 N255 N256 F259 | L39-I253 HydrophobicContact CD1-CD1 3.79Å; L39-I253 HydrophobicContact CD1-CG1 4.05Å; L39-I253 HydrophobicContact CD1-CG2 3.78Å; W211-I253 HydrophobicContact CE3-CD1 4.15Å; W211-I253 HydrophobicContact CZ3-CD1 4.01Å; W211-I253 HydrophobicContact CZ3-CG1 4.24Å; F215-I253 HydrophobicContact CZ-CD1 4.14Å; I221-I253 HydrophobicContact CD1-CG2 3.99Å; I221-I253 HydrophobicContact CG2-CG2 4.39Å; F223-I253 HydrophobicContact CD2-CB 4.37Å; F223-I253 HydrophobicContact CD2-CG1 4.42Å; F223-I253 HydrophobicContact CD2-CG2 4.29Å; F223-I253 HydrophobicContact CE2-CB 4.31Å; F223-I253 HydrophobicContact CE2-CG1 4.05Å; L249-I253 WeakPolarHBondContact O-CG1 3.3Å; L249-I253 PolarHBondContact O-N 3.25Å; L249-I253 VanDerWaalsContact O-N 3.13Å; F250-I253 PolarHBondContact O-N 3.15Å; D251-I253 VanDerWaalsContact C-N 3.31Å; D251-I253 PolarHBondContact O-N 2.97Å; I253-N255 PolarHBondContact O-N 2.91Å; I253-N256 WeakPolarHBondContact O-CB 3.4Å; I253-N256 PolarHBondContact O-N 3.36Å; I253-F259 HydrophobicContact CD1-CE2 4.23Å; I253-F259 HydrophobicContact CG2-CD2 4.12Å; I253-F259 HydrophobicContact CG2-CE2 4.15Å |
| 254 | C | 96.7 | Very high | 96 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.3 | -30.9 | -176.3 | 72.4 | 0 | 0 | 0 | 0 | 111.9 | F250 I264 R313 | F250-C254 HydrophobicContact CD1-CB 4.42Å; F250-C254 HydrophobicContact CE1-CB 4.01Å; F250-C254 HydrophobicContact CE2-CB 4.22Å; F250-C254 HydrophobicContact CZ-CB 3.91Å; F250-C254 PolarHBondContact O-N 2.86Å; F250-C254 PolarHBondContact O-SG 3.44Å; C254-I264 VanDerWaalsContact CA-CD1 3.48Å; C254-I264 HydrophobicContact CB-CD1 3.84Å; C254-R313 PolarHBondContact O-NH2 3.34Å |
| 255 | N | 96.8 | Very high | 95.9 | Very high | 28 Ų | 28 | 45.1 Ų | 45.1 | 15% | 0.15 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 5.2 | 177.5 | -60.5 | -56.3 | 0 | 0 | 0 | 114.4 | D251 I253 L310 R312 | D251-N255 VanDerWaalsContact O-CB 3.31Å; D251-N255 WeakPolarHBondContact O-CB 3.43Å; D251-N255 PolarHBondContact O-N 3.49Å; D251-N255 PolarHBondContact O-ND2 3.46Å; D251-N255 VanDerWaalsContact O-ND2 3.16Å; D251-N255 PolarHBondContact OD1-ND2 3.37Å; I253-N255 PolarHBondContact O-N 2.91Å; N255-L310 PolarHBondContact ND2-O 2.59Å; N255-R312 PolarHBondContact ND2-NE 2.84Å; N255-R312 WeakPolarHBondContact OD1-CB 3.46Å; N255-R312 PolarHBondContact OD1-N 3.17Å; N255-R312 VanDerWaalsContact OD1-N 3.1Å |
| 256 | N | 95.1 | Very high | 95.9 | Very high | 41 Ų | 41 | 44.6 Ų | 44.6 | 22% | 0.219 | 22% | 0.218 | C | C | . | . | trans | -69.2 | 138.5 | -179.8 | -158.7 | -54.2 | 0 | 0 | 0 | 112.3 | S252 I253 W258 F259 | S252-N256 WeakPolarHBondContact O-CB 3.46Å; I253-N256 WeakPolarHBondContact O-CB 3.4Å; I253-N256 PolarHBondContact O-N 3.36Å; N256-W258 VanDerWaalsContact C-N 3.28Å; N256-W258 PolarHBondContact O-N 3.35Å; N256-W258 PolarHBondContact OD1-N 3.47Å; N256-F259 HydrophobicContact CB-CD2 3.76Å; N256-F259 HydrophobicContact CB-CE2 4.4Å; N256-F259 CarbonylContact O-C 3.56Å; N256-F259 PolarHBondContact O-N 3.39Å | ||
| 257 | K | 94.6 | Very high | 96 | Very high | 188 Ų | 188 | 44.5 Ų | 44.5 | 82% | 0.817 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | -62.9 | -31.2 | 177.9 | -65.4 | -175.8 | 178.5 | -177.9 | 0 | 113.6 | F259 T260 | K257-F259 PolarHBondContact O-N 3.43Å; K257-T260 PolarHBondContact O-N 2.94Å; K257-T260 PolarHBondContact O-OG1 3.47Å |
| 258 | W | 94.3 | Very high | 96 | Very high | 147 Ų | 147 | 43.4 Ų | 43.4 | 56% | 0.557 | 21% | 0.211 | S | C | * | . | G | 310 helix | trans | -60.3 | -25.1 | 174.3 | -79.4 | 98.4 | 0 | 0 | 0 | 112.7 | I212 F215 N256 | I212-W258 HydrophobicContact CD1-CZ2 4.4Å; F215-W258 HydrophobicContact CB-CB 4.41Å; F215-W258 HydrophobicContact CB-CD2 4.15Å; F215-W258 HydrophobicContact CB-CE3 4.17Å; F215-W258 HydrophobicContact CB-CG 4.26Å; F215-W258 HydrophobicContact CD2-CB 3.9Å; F215-W258 AromaticContact CD2-CD1 3.92Å; F215-W258 HydrophobicContact CD2-CD2 4.44Å; F215-W258 AromaticContact CD2-CG 3.81Å; F215-W258 HydrophobicContact CD2-CG 3.81Å; N256-W258 VanDerWaalsContact C-N 3.28Å; N256-W258 PolarHBondContact O-N 3.35Å; N256-W258 PolarHBondContact OD1-N 3.47Å |
| 259 | F | 94.7 | Very high | 96 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -116.7 | 34.6 | -173.3 | -53.2 | -45.5 | 0 | 0 | 0 | 111.2 | L37 L39 F215 V218 I221 I253 N256 K257 T262 K317 | L37-F259 HydrophobicContact CD2-CE1 4.48Å; L37-F259 HydrophobicContact CD2-CZ 4.07Å; L39-F259 HydrophobicContact CD1-CE2 4.38Å; F215-F259 HydrophobicContact CB-CE1 4.16Å; F215-F259 HydrophobicContact CB-CZ 4.17Å; F215-F259 HydrophobicContact CD1-CE1 4.15Å; F215-F259 HydrophobicContact CD1-CE2 4.29Å; F215-F259 AromaticContact CD1-CZ 3.4Å; F215-F259 HydrophobicContact CD1-CZ 3.4Å; F215-F259 VanDerWaalsContact CD1-CZ 3.4Å; F215-F259 HydrophobicContact CD2-CE1 4.24Å; F215-F259 AromaticContact CD2-CE2 3.98Å; F215-F259 HydrophobicContact CD2-CE2 3.98Å; F215-F259 AromaticContact CD2-CZ 3.57Å; F215-F259 HydrophobicContact CD2-CZ 3.57Å; F215-F259 AromaticContact CE1-CE2 3.97Å; F215-F259 HydrophobicContact CE1-CE2 3.97Å; F215-F259 AromaticContact CE1-CZ 3.48Å; F215-F259 HydrophobicContact CE1-CZ 3.48Å; F215-F259 VanDerWaalsContact CE1-CZ 3.48Å; F215-F259 AromaticContact CE2-CE2 3.65Å; F215-F259 HydrophobicContact CE2-CE2 3.65Å; F215-F259 AromaticContact CE2-CZ 3.66Å; F215-F259 HydrophobicContact CE2-CZ 3.66Å; F215-F259 AromaticContact CG-CE1 3.94Å; F215-F259 HydrophobicContact CG-CE1 3.94Å; F215-F259 HydrophobicContact CG-CE2 4.29Å; F215-F259 AromaticContact CG-CZ 3.44Å; F215-F259 HydrophobicContact CG-CZ 3.44Å; F215-F259 VanDerWaalsContact CG-CZ 3.44Å; F215-F259 AromaticContact CZ-CE2 3.64Å; F215-F259 HydrophobicContact CZ-CE2 3.64Å; F215-F259 AromaticContact CZ-CZ 3.61Å; F215-F259 HydrophobicContact CZ-CZ 3.61Å; V218-F259 HydrophobicContact CB-CE1 4.42Å; V218-F259 HydrophobicContact CG2-CE1 4.28Å; I221-F259 HydrophobicContact CD1-CB 4.05Å; I221-F259 HydrophobicContact CD1-CD1 3.58Å; I221-F259 HydrophobicContact CD1-CD2 3.4Å; I221-F259 VanDerWaalsContact CD1-CD2 3.4Å; I221-F259 HydrophobicContact CD1-CE1 3.71Å; I221-F259 HydrophobicContact CD1-CE2 3.55Å; I221-F259 HydrophobicContact CD1-CG 3.4Å; I221-F259 HydrophobicContact CD1-CZ 3.66Å; I221-F259 HydrophobicContact CG1-CE1 4.45Å; I253-F259 HydrophobicContact CD1-CE2 4.23Å; I253-F259 HydrophobicContact CG2-CD2 4.12Å; I253-F259 HydrophobicContact CG2-CE2 4.15Å; N256-F259 HydrophobicContact CB-CD2 3.76Å; N256-F259 HydrophobicContact CB-CE2 4.4Å; N256-F259 CarbonylContact O-C 3.56Å; N256-F259 PolarHBondContact O-N 3.39Å; K257-F259 PolarHBondContact O-N 3.43Å; F259-T262 HydrophobicContact CD1-CG2 4.36Å; F259-K317 PolarHBondContact O-NZ 3.42Å |
| 260 | T | 92.3 | Very high | 96 | Very high | 60 Ų | 60 | 38 Ų | 38 | 37% | 0.368 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -63.5 | -52.2 | -178.6 | -54.7 | 0 | 0 | 0 | 0 | 109.9 | K257 | K257-T260 PolarHBondContact O-N 2.94Å; K257-T260 PolarHBondContact O-OG1 3.47Å |
| 261 | E | 89.4 | Confident | 96 | Very high | 161 Ų | 161 | 40.8 Ų | 40.8 | 75% | 0.752 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -91.1 | -9.3 | 179.6 | -52.5 | -50 | 131.6 | 0 | 0 | 113.9 | S263 | E261-S263 PolarHBondContact O-N 3.49Š|
| 262 | T | 92.8 | Very high | 96 | Very high | 16 Ų | 16 | 41 Ų | 41 | 10% | 0.098 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -71.6 | 128.4 | -177.9 | -54 | 0 | 0 | 0 | 0 | 111.6 | V218 I221 F259 K317 | V218-T262 HydrophobicContact CB-CG2 4.25Å; V218-T262 HydrophobicContact CG1-CG2 3.76Å; V218-T262 WeakPolarHBondContact O-CG2 3.28Å; V218-T262 PolarHBondContact O-OG1 3.31Å; I221-T262 HydrophobicContact CD1-CG2 4.2Å; I221-T262 HydrophobicContact CG1-CG2 3.94Å; F259-T262 HydrophobicContact CD1-CG2 4.36Å; T262-K317 VanDerWaalsContact O-CE 3.23Å; T262-K317 WeakPolarHBondContact O-CE 3.43Å; T262-K317 PolarHBondContact O-NZ 3.49Å |
| 263 | S | 92.5 | Very high | 96 | Very high | 21 Ų | 21 | 40 Ų | 40 | 15% | 0.147 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 137.2 | 173.6 | -67.7 | 0 | 0 | 0 | 0 | 111 | A220 I221 E261 N346 | A220-S263 CarbonylContact C-O 3.49Å; A220-S263 WeakPolarHBondContact CA-O 3.31Å; I221-S263 PolarHBondContact N-O 3.12Å; E261-S263 PolarHBondContact O-N 3.49Å; S263-N346 PolarHBondContact OG-ND2 3.33Å |
| 264 | I | 95.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 124.3 | 178.2 | -61.2 | -177.4 | 0 | 0 | 0 | 109.8 | I221 F250 C254 K317 I319 Y320 | I221-I264 HydrophobicContact CB-CG1 4.37Å; I221-I264 HydrophobicContact CD1-CG1 4.48Å; F250-I264 HydrophobicContact CE2-CG2 4.01Å; F250-I264 HydrophobicContact CZ-CG2 4.39Å; C254-I264 VanDerWaalsContact CA-CD1 3.48Å; C254-I264 HydrophobicContact CB-CD1 3.84Å; I264-K317 VanDerWaalsContact CD1-CE 3.45Å; I264-K317 VanDerWaalsContact CD1-NZ 3.26Å; I264-I319 HydrophobicContact CB-CD1 3.73Å; I264-I319 HydrophobicContact CD1-CD1 4.29Å; I264-I319 HydrophobicContact CG2-CD1 3.86Å; I264-Y320 PolarHBondContact O-N 3.4Å |
| 265 | I | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 126.1 | 173.1 | -57.1 | 99.3 | 0 | 0 | 0 | 108 | A220 I221 I222 F223 F267 Y320 V339 | A220-I265 HydrophobicContact CB-CD1 3.71Å; I221-I265 PolarHBondContact O-N 3.34Å; I222-I265 CarbonylContact C-O 3.5Å; I222-I265 WeakPolarHBondContact CA-O 3.45Å; I222-I265 HydrophobicContact CG1-CB 4.31Å; I222-I265 HydrophobicContact CG1-CD1 4.37Å; F223-I265 PolarHBondContact N-O 3.45Å; I265-F267 HydrophobicContact CG2-CD1 3.69Å; I265-F267 HydrophobicContact CG2-CE1 3.42Å; I265-F267 VanDerWaalsContact CG2-CE1 3.42Å; I265-F267 HydrophobicContact CG2-CZ 4.46Å; I265-Y320 CarbonylContact C-O 3.59Å; I265-Y320 VanDerWaalsContact CA-O 3.3Å; I265-Y320 WeakPolarHBondContact CA-O 3.48Å; I265-Y320 WeakPolarHBondContact CG2-O 3.48Å; I265-V339 HydrophobicContact CB-CG2 4.48Å; I265-V339 HydrophobicContact CD1-CG1 3.88Å; I265-V339 HydrophobicContact CG1-CG1 3.93Å; I265-V339 HydrophobicContact CG1-CG2 4.18Å; I265-V339 HydrophobicContact CG2-CG2 3.62Å |
| 266 | L | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 112.6 | 177.9 | 178.2 | 63.6 | 0 | 0 | 0 | 109.7 | F223 V225 F250 L268 F307 I319 Y320 T321 H322 | F223-L266 HydrophobicContact CD1-CD1 4.12Å; V225-L266 HydrophobicContact CG2-CD1 3.64Å; F250-L266 HydrophobicContact CD2-CD1 4.28Å; F250-L266 HydrophobicContact CE2-CD1 4.01Å; F250-L266 HydrophobicContact CZ-CD1 4.43Å; L266-L268 HydrophobicContact CD1-CD2 4.29Å; L266-L268 HydrophobicContact CD2-CD2 4.04Å; L266-L268 HydrophobicContact CD2-CG 4.35Å; L266-L268 HydrophobicContact CG-CD2 4.02Å; L266-L268 HydrophobicContact CG-CG 4.24Å; L266-F307 HydrophobicContact CD1-CD1 4.21Å; L266-F307 HydrophobicContact CD2-CB 3.54Å; L266-F307 HydrophobicContact CD2-CG 4.2Å; L266-I319 HydrophobicContact CB-CG2 3.73Å; L266-I319 HydrophobicContact CD2-CG2 4.42Å; L266-Y320 PolarHBondContact N-O 2.93Å; L266-T321 HydrophobicContact CB-CG2 4.3Å; L266-T321 HydrophobicContact CD2-CG2 3.94Å; L266-T321 HydrophobicContact CG-CG2 4.17Å; L266-T321 CarbonylContact O-C 3.59Å; L266-T321 WeakPolarHBondContact O-CA 3.23Å; L266-H322 PolarHBondContact O-N 3.03Å |
| 267 | F | 98.7 | Very high | 96.2 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 1% | 0.013 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 105.6 | 172.5 | -80.2 | 9.6 | 0 | 0 | 0 | 109.8 | I49 I222 F223 V225 I265 N269 H322 T324 V335 V339 | I49-F267 HydrophobicContact CD1-CD2 4.2Å; I49-F267 HydrophobicContact CD1-CE2 4.11Å; I49-F267 HydrophobicContact CG1-CD2 4.32Å; I49-F267 HydrophobicContact CG1-CE2 4.38Å; I222-F267 HydrophobicContact CD1-CE2 4.47Å; I222-F267 HydrophobicContact CD1-CZ 4.33Å; I222-F267 HydrophobicContact CG2-CB 4.34Å; I222-F267 HydrophobicContact CG2-CD1 4.02Å; I222-F267 HydrophobicContact CG2-CD2 3.46Å; I222-F267 VanDerWaalsContact CG2-CD2 3.46Å; I222-F267 HydrophobicContact CG2-CE1 4.16Å; I222-F267 HydrophobicContact CG2-CE2 3.6Å; I222-F267 HydrophobicContact CG2-CG 3.67Å; I222-F267 HydrophobicContact CG2-CZ 3.95Å; F223-F267 PolarHBondContact O-N 3.26Å; V225-F267 PolarHBondContact N-O 3.09Å; I265-F267 HydrophobicContact CG2-CD1 3.69Å; I265-F267 HydrophobicContact CG2-CE1 3.42Å; I265-F267 VanDerWaalsContact CG2-CE1 3.42Å; I265-F267 HydrophobicContact CG2-CZ 4.46Å; F267-N269 PolarHBondContact O-N 3.37Å; F267-N269 VanDerWaalsContact O-N 3.17Å; F267-H322 HydrophobicContact CD1-CB 4.2Å; F267-H322 HydrophobicContact CE1-CB 4.31Å; F267-T324 HydrophobicContact CB-CG2 4.44Å; F267-T324 HydrophobicContact CD1-CG2 4.17Å; F267-T324 HydrophobicContact CD2-CG2 4.07Å; F267-T324 HydrophobicContact CE1-CG2 4.45Å; F267-T324 HydrophobicContact CE2-CG2 4.37Å; F267-T324 HydrophobicContact CG-CG2 3.98Å; F267-V335 HydrophobicContact CD1-CG1 4.29Å; F267-V335 HydrophobicContact CE1-CG1 3.42Å; F267-V335 VanDerWaalsContact CE1-CG1 3.42Å; F267-V335 HydrophobicContact CE2-CG1 4.47Å; F267-V335 HydrophobicContact CZ-CG1 3.55Å; F267-V339 HydrophobicContact CE1-CG2 3.93Å; F267-V339 HydrophobicContact CZ-CG2 4.21Å |
| 268 | L | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 84.4 | 168.2 | -62 | -179 | 0 | 0 | 0 | 108.3 | V225 L227 L266 Q304 F307 T321 H322 F323 T324 | V225-L268 HydrophobicContact CB-CD2 3.98Å; V225-L268 HydrophobicContact CG1-CD2 4.23Å; V225-L268 HydrophobicContact CG2-CD2 4.25Å; L227-L268 HydrophobicContact CD1-CB 3.97Å; L227-L268 HydrophobicContact CD2-CB 4.03Å; L227-L268 HydrophobicContact CD2-CD2 4.22Å; L227-L268 HydrophobicContact CD2-CG 4.49Å; L227-L268 HydrophobicContact CG-CB 3.96Å; L266-L268 HydrophobicContact CD1-CD2 4.29Å; L266-L268 HydrophobicContact CD2-CD2 4.04Å; L266-L268 HydrophobicContact CD2-CG 4.35Å; L266-L268 HydrophobicContact CG-CD2 4.02Å; L266-L268 HydrophobicContact CG-CG 4.24Å; L268-Q304 HydrophobicContact CD1-CB 3.66Å; L268-Q304 HydrophobicContact CD1-CG 4.26Å; L268-F307 HydrophobicContact CD2-CD2 4.49Å; L268-T321 HydrophobicContact CD1-CG2 3.56Å; L268-T321 HydrophobicContact CG-CG2 3.85Å; L268-H322 PolarHBondContact N-O 3.02Å; L268-F323 HydrophobicContact CB-CD1 3.78Å; L268-F323 HydrophobicContact CB-CE1 3.96Å; L268-F323 HydrophobicContact CD1-CD1 4.07Å; L268-F323 HydrophobicContact CD1-CE1 3.42Å; L268-F323 VanDerWaalsContact CD1-CE1 3.42Å; L268-F323 HydrophobicContact CD1-CZ 3.73Å; L268-F323 HydrophobicContact CG-CE1 4.34Å; L268-F323 WeakPolarHBondContact O-CA 3.45Å; L268-T324 PolarHBondContact O-N 3.03Å |
| 269 | N | 98.7 | Very high | 96.5 | Very high | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 169.5 | -169.1 | -170.9 | 35.4 | 0 | 0 | 0 | 113.2 | S44 V225 L227 F267 K271 T324 A326 | S44-N269 PolarHBondContact O-ND2 3.38Å; V225-N269 WeakPolarHBondContact O-CA 3.33Å; V225-N269 WeakPolarHBondContact O-CB 3.47Å; V225-N269 PolarHBondContact O-N 2.89Å; L227-N269 WeakPolarHBondContact CB-O 3.16Å; L227-N269 PolarHBondContact N-O 3.11Å; F267-N269 PolarHBondContact O-N 3.37Å; F267-N269 VanDerWaalsContact O-N 3.17Å; N269-K271 VanDerWaalsContact C-N 3.25Å; N269-K271 PolarHBondContact O-N 2.98Å; N269-T324 CarbonylContact C-O 3.59Å; N269-T324 VanDerWaalsContact CA-O 3.29Å; N269-T324 WeakPolarHBondContact CA-O 3.31Å; N269-T324 WeakPolarHBondContact CA-OG1 3.5Å; N269-T324 VanDerWaalsContact CB-OG1 3.3Å; N269-T324 WeakPolarHBondContact CB-OG1 3.4Å; N269-T324 PolarHBondContact OD1-O 3.1Å; N269-T324 PolarHBondContact OD1-OG1 3.12Å; N269-A326 WeakPolarHBondContact OD1-CB 3.38Å; N269-A326 PolarHBondContact OD1-N 3.26Å |
| 270 | K | 98.3 | Very high | 96.5 | Very high | 16 Ų | 16 | 44 Ų | 44 | 7% | 0.07 | 21% | 0.206 | C | C | . | . | trans | 59.3 | 36.5 | -176.7 | -51.1 | -179.6 | -172.3 | 175.4 | 0 | 112.1 | E43 D150 A226 S228 D229 D272 L273 F274 T324 | E43-K270 WeakPolarHBondContact O-CE 3.44Å; E43-K270 PolarHBondContact O-NZ 2.71Å; D150-K270 VanDerWaalsContact OD2-CE 3.27Å; D150-K270 WeakPolarHBondContact OD2-CE 3.4Å; D150-K270 IonicContact OD2-NZ 3.61Å; D150-K270 PolarHBondContact OD2-NZ 3.49Å; A226-K270 HydrophobicContact CB-CD 3.74Å; A226-K270 HydrophobicContact CB-CG 4.44Å; S228-K270 WeakPolarHBondContact OG-CD 3.28Å; D229-K270 IonicContact OD1-NZ 3.02Å; D229-K270 PolarHBondContact OD1-NZ 3.18Å; K270-D272 VanDerWaalsContact C-OD1 3.28Å; K270-D272 WeakPolarHBondContact CA-OD1 3.15Å; K270-D272 PolarHBondContact O-N 3.2Å; K270-L273 HydrophobicContact CB-CB 4.35Å; K270-L273 HydrophobicContact CB-CD1 4.34Å; K270-L273 HydrophobicContact CD-CD1 4.24Å; K270-L273 PolarHBondContact O-N 3.38Å; K270-F274 PolarHBondContact O-N 3.16Å; K270-T324 PolarHBondContact N-O 2.89Å; K270-T324 VanDerWaalsContact N-O 3.08Å | ||
| 271 | K | 98.2 | Very high | 96.7 | Very high | 58 Ų | 58 | 41.4 Ų | 41.4 | 25% | 0.252 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -58.1 | -32.9 | 178.9 | 74 | 178.8 | -173.6 | 173.5 | 0 | 112.2 | L227 N269 F274 E275 Y296 F323 T324 C325 | L227-K271 HydrophobicContact CD1-CB 4.2Å; N269-K271 VanDerWaalsContact C-N 3.25Å; N269-K271 PolarHBondContact O-N 2.98Å; K271-F274 PolarHBondContact O-N 2.86Å; K271-E275 VanDerWaalsContact O-CB 3.28Å; K271-E275 WeakPolarHBondContact O-CB 3.45Å; K271-E275 PolarHBondContact O-N 3.45Å; K271-Y296 HydrophobicContact CB-CE2 4.02Å; K271-F323 HydrophobicContact CD-CB 4.09Å; K271-T324 WeakPolarHBondContact CG-O 3.38Å; K271-T324 PolarHBondContact N-O 3.28Å; K271-T324 VanDerWaalsContact N-O 3.17Å; K271-C325 HydrophobicContact CG-CB 4.28Å |
| 272 | D | 97.5 | Very high | 97.1 | Very high | 44 Ų | 44 | 36 Ų | 36 | 24% | 0.235 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.7 | -47.6 | 175.8 | 60.1 | -43.2 | 0 | 0 | 0 | 111.8 | R176 K270 E276 C325 | R176-D272 IonicContact NH2-OD2 2.74Å; K270-D272 VanDerWaalsContact C-OD1 3.28Å; K270-D272 WeakPolarHBondContact CA-OD1 3.15Å; K270-D272 PolarHBondContact O-N 3.2Å; D272-E276 PolarHBondContact O-N 3.01Å; D272-C325 VanDerWaalsContact CG-SG 3.58Å |
| 273 | L | 97.8 | Very high | 97.4 | Very high | 49 Ų | 49 | 35.2 Ų | 35.2 | 26% | 0.257 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -71.3 | -35.8 | 178.2 | -59.5 | -177.1 | 0 | 0 | 0 | 111.5 | D150 K270 K277 | D150-L273 HydrophobicContact CB-CD1 3.69Å; K270-L273 HydrophobicContact CB-CB 4.35Å; K270-L273 HydrophobicContact CB-CD1 4.34Å; K270-L273 HydrophobicContact CD-CD1 4.24Å; K270-L273 PolarHBondContact O-N 3.38Å; L273-K277 WeakPolarHBondContact O-CB 3.46Å; L273-K277 PolarHBondContact O-N 3.35Å |
| 274 | F | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.5 | -47.7 | 176.2 | 178 | -106.3 | 0 | 0 | 0 | 112.1 | L227 Y230 K270 K271 E276 K277 I278 Y296 A299 A300 I303 | L227-F274 HydrophobicContact CB-CB 3.64Å; L227-F274 HydrophobicContact CB-CD1 4.34Å; L227-F274 HydrophobicContact CB-CD2 4Å; L227-F274 HydrophobicContact CB-CG 3.73Å; L227-F274 HydrophobicContact CD1-CD1 4.33Å; L227-F274 HydrophobicContact CD1-CG 4.49Å; L227-F274 WeakPolarHBondContact O-CD2 3.36Å; Y230-F274 AromaticContact CD1-CD2 3.74Å; Y230-F274 HydrophobicContact CD1-CD2 3.74Å; Y230-F274 AromaticContact CD1-CE2 3.71Å; Y230-F274 HydrophobicContact CD1-CE2 3.71Å; Y230-F274 AromaticContact CE1-CD2 3.64Å; Y230-F274 HydrophobicContact CE1-CD2 3.64Å; Y230-F274 AromaticContact CE1-CE2 3.69Å; Y230-F274 HydrophobicContact CE1-CE2 3.69Å; Y230-F274 HydrophobicContact CG-CE2 4.46Å; K270-F274 PolarHBondContact O-N 3.16Å; K271-F274 PolarHBondContact O-N 2.86Å; F274-E276 VanDerWaalsContact C-N 3.27Å; F274-E276 PolarHBondContact O-N 3.04Å; F274-K277 PolarHBondContact O-N 3.33Å; F274-K277 VanDerWaalsContact O-N 3.08Å; F274-I278 HydrophobicContact CE2-CB 4.44Å; F274-I278 HydrophobicContact CE2-CD1 4.26Å; F274-I278 HydrophobicContact CZ-CB 4.35Å; F274-I278 HydrophobicContact CZ-CD1 4.21Å; F274-I278 HydrophobicContact CZ-CG1 4.25Å; F274-I278 WeakPolarHBondContact O-CB 3.3Å; F274-I278 WeakPolarHBondContact O-CG2 3.13Å; F274-I278 PolarHBondContact O-N 3.12Å; F274-Y296 AromaticContact CD1-CD2 3.71Å; F274-Y296 HydrophobicContact CD1-CD2 3.71Å; F274-Y296 AromaticContact CD1-CE2 3.98Å; F274-Y296 HydrophobicContact CD1-CE2 3.98Å; F274-Y296 HydrophobicContact CE1-CD2 4.1Å; F274-A299 HydrophobicContact CE1-CB 4.15Å; F274-A299 HydrophobicContact CZ-CB 3.66Å; F274-A300 HydrophobicContact CE1-CB 3.92Å; F274-I303 HydrophobicContact CE2-CD1 3.74Å; F274-I303 HydrophobicContact CZ-CD1 3.76Å |
| 275 | E | 98.3 | Very high | 97.7 | Very high | 80 Ų | 80 | 40.5 Ų | 40.5 | 37% | 0.374 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -56 | -40.1 | 178.7 | -179.6 | 172.8 | -164.9 | 0 | 0 | 112.3 | K271 I278 K279 Y296 | K271-E275 VanDerWaalsContact O-CB 3.28Å; K271-E275 WeakPolarHBondContact O-CB 3.45Å; K271-E275 PolarHBondContact O-N 3.45Å; E275-I278 WeakPolarHBondContact O-CG2 3.2Å; E275-K279 VanDerWaalsContact O-CE 3.28Å; E275-K279 WeakPolarHBondContact O-CE 3.44Å; E275-Y296 HydrophobicContact CB-CD2 3.73Å; E275-Y296 HydrophobicContact CB-CE2 4.39Å; E275-Y296 HydrophobicContact CB-CG 4.25Å; E275-Y296 HydrophobicContact CG-CD2 4.22Å; E275-Y296 HydrophobicContact CG-CG 4.24Å |
| 276 | E | 96.6 | Very high | 97.7 | Very high | 92 Ų | 92 | 40.6 Ų | 40.6 | 43% | 0.43 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -75.7 | -38.2 | 175.2 | -72.1 | -54.2 | 124.3 | 0 | 0 | 112.9 | D272 F274 K279 R280 | D272-E276 PolarHBondContact O-N 3.01Å; F274-E276 VanDerWaalsContact C-N 3.27Å; F274-E276 PolarHBondContact O-N 3.04Å; E276-K279 IonicContact OE1-NZ 3.5Å; E276-K279 PolarHBondContact OE1-NZ 2.86Å; E276-K279 IonicContact OE2-NZ 3.49Å; E276-R280 PolarHBondContact O-NH1 2.78Å |
| 277 | K | 97.3 | Very high | 97.6 | Very high | 21 Ų | 21 | 40.8 Ų | 40.8 | 9% | 0.091 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -73 | -38.3 | -174.7 | -172.6 | -174.2 | -88.6 | -161.2 | 0 | 112.6 | S228 Y230 D231 L273 F274 K279 R280 S281 | S228-K277 WeakPolarHBondContact O-CD 3.32Å; S228-K277 WeakPolarHBondContact O-CE 3.39Å; S228-K277 PolarHBondContact O-NZ 3.43Å; Y230-K277 HydrophobicContact CD1-CD 4.46Å; Y230-K277 HydrophobicContact CE1-CB 4.47Å; Y230-K277 HydrophobicContact CE1-CD 3.63Å; Y230-K277 HydrophobicContact CE1-CG 4.07Å; Y230-K277 PolarHBondContact OH-O 3.39Å; D231-K277 WeakPolarHBondContact OD1-CD 2.97Å; D231-K277 IonicContact OD1-NZ 3.53Å; D231-K277 PolarHBondContact OD1-NZ 3.47Å; L273-K277 WeakPolarHBondContact O-CB 3.46Å; L273-K277 PolarHBondContact O-N 3.35Å; F274-K277 PolarHBondContact O-N 3.33Å; F274-K277 VanDerWaalsContact O-N 3.08Å; K277-K279 PolarHBondContact O-N 3.16Å; K277-R280 VanDerWaalsContact O-CG 3.24Å; K277-R280 WeakPolarHBondContact O-CG 3.5Å; K277-R280 PolarHBondContact O-N 2.84Å; K277-S281 PolarHBondContact O-N 3.09Å |
| 278 | I | 97.9 | Very high | 97.6 | Very high | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.2 | -28.8 | -177.2 | -165.1 | 61.7 | 0 | 0 | 0 | 112.7 | Y230 F274 E275 R280 L283 N294 A299 | Y230-I278 HydrophobicContact CE2-CD1 4.38Å; Y230-I278 WeakPolarHBondContact OH-CA 3.14Å; Y230-I278 PolarHBondContact OH-N 3.08Å; F274-I278 HydrophobicContact CE2-CB 4.44Å; F274-I278 HydrophobicContact CE2-CD1 4.26Å; F274-I278 HydrophobicContact CZ-CB 4.35Å; F274-I278 HydrophobicContact CZ-CD1 4.21Å; F274-I278 HydrophobicContact CZ-CG1 4.25Å; F274-I278 WeakPolarHBondContact O-CB 3.3Å; F274-I278 WeakPolarHBondContact O-CG2 3.13Å; F274-I278 PolarHBondContact O-N 3.12Å; E275-I278 WeakPolarHBondContact O-CG2 3.2Å; I278-R280 PolarHBondContact O-N 3.42Å; I278-R280 VanDerWaalsContact O-N 3.14Å; I278-L283 HydrophobicContact CD1-CB 3.99Å; I278-N294 HydrophobicContact CD1-CB 4.29Å; I278-N294 HydrophobicContact CG1-CB 4.08Å; I278-A299 HydrophobicContact CD1-CB 3.99Å; I278-A299 HydrophobicContact CG1-CB 3.94Å |
| 279 | K | 96.8 | Very high | 97.5 | Very high | 133 Ų | 133 | 51 Ų | 51 | 58% | 0.578 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -21.8 | 174.9 | -61.7 | 170.5 | -174.2 | 170.3 | 0 | 113.8 | E275 E276 K277 | E275-K279 VanDerWaalsContact O-CE 3.28Å; E275-K279 WeakPolarHBondContact O-CE 3.44Å; E276-K279 IonicContact OE1-NZ 3.5Å; E276-K279 PolarHBondContact OE1-NZ 2.86Å; E276-K279 IonicContact OE2-NZ 3.49Å; K277-K279 PolarHBondContact O-N 3.16Å |
| 280 | R | 95.4 | Very high | 97.4 | Very high | 165 Ų | 165 | 51.6 Ų | 51.6 | 62% | 0.623 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.8 | -11.2 | -173.2 | 60.6 | 176.1 | 178.4 | -87.2 | 1.7 | 115 | E276 K277 I278 | E276-R280 PolarHBondContact O-NH1 2.78Å; K277-R280 VanDerWaalsContact O-CG 3.24Å; K277-R280 WeakPolarHBondContact O-CG 3.5Å; K277-R280 PolarHBondContact O-N 2.84Å; I278-R280 PolarHBondContact O-N 3.42Å; I278-R280 VanDerWaalsContact O-N 3.14Å |
| 281 | S | 96.5 | Very high | 97.4 | Very high | 5 Ų | 5 | 57.7 Ų | 57.7 | 4% | 0.035 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -133.5 | 109 | -178.7 | -169.4 | 0 | 0 | 0 | 0 | 108.1 | R144 Y230 D231 K277 I285 | R144-S281 PolarHBondContact NH1-OG 3.13Å; Y230-S281 WeakPolarHBondContact CE2-O 3.42Å; Y230-S281 WeakPolarHBondContact OH-CB 3.19Å; Y230-S281 PolarHBondContact OH-O 2.6Å; D231-S281 VanDerWaalsContact OD2-CB 3.32Å; D231-S281 WeakPolarHBondContact OD2-CB 3.39Å; D231-S281 PolarHBondContact OD2-OG 3.18Å; K277-S281 PolarHBondContact O-N 3.09Å; S281-I285 WeakPolarHBondContact OG-CD1 3.45Å |
| 282 | P | 97.3 | Very high | 97.3 | Very high | 47 Ų | 47 | 56.2 Ų | 56.2 | 31% | 0.305 | 29% | 0.292 | S | S | . | . | trans | -69.2 | 146.5 | -171 | 28 | -35.6 | 0 | 0 | 0 | 112.2 | T284 I285 N294 | P282-T284 PolarHBondContact O-N 2.75Å; P282-T284 VanDerWaalsContact O-N 3.16Å; P282-I285 HydrophobicContact CG-CD1 4.21Å; P282-I285 HydrophobicContact CG-CG1 4.28Å; P282-I285 WeakPolarHBondContact O-CG1 3.07Å; P282-I285 PolarHBondContact O-N 3.47Å; P282-N294 WeakPolarHBondContact CA-OD1 3.41Å | ||
| 283 | L | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -61.8 | -25 | 179.7 | -171.8 | 61.1 | 0 | 0 | 0 | 112.6 | Y230 I278 I285 C286 Y287 Y290 N294 A299 Y302 I303 | Y230-L283 HydrophobicContact CD2-CD1 4.01Å; Y230-L283 HydrophobicContact CG-CD1 4.23Å; I278-L283 HydrophobicContact CD1-CB 3.99Å; L283-I285 PolarHBondContact O-N 2.58Å; L283-C286 PolarHBondContact O-N 3.12Å; L283-Y287 HydrophobicContact CD1-CD2 3.67Å; L283-Y287 HydrophobicContact CD1-CE2 3.95Å; L283-Y287 HydrophobicContact CD2-CD2 4.24Å; L283-Y287 HydrophobicContact CG-CD2 3.75Å; L283-Y287 HydrophobicContact CG-CE2 4.47Å; L283-Y287 PolarHBondContact O-N 3.25Å; L283-Y290 HydrophobicContact CB-CD1 3.8Å; L283-Y290 HydrophobicContact CB-CE1 4.02Å; L283-Y290 HydrophobicContact CB-CG 4.41Å; L283-Y290 HydrophobicContact CD2-CD1 3.82Å; L283-Y290 HydrophobicContact CD2-CD2 3.86Å; L283-Y290 HydrophobicContact CD2-CE1 3.85Å; L283-Y290 HydrophobicContact CD2-CE2 3.92Å; L283-Y290 HydrophobicContact CD2-CG 3.8Å; L283-Y290 HydrophobicContact CG-CD1 4.18Å; L283-Y290 HydrophobicContact CG-CE1 4.49Å; L283-Y290 HydrophobicContact CG-CG 4.33Å; L283-N294 PolarHBondContact N-OD1 3.41Å; L283-A299 HydrophobicContact CD2-CB 3.95Å; L283-Y302 HydrophobicContact CD2-CD1 3.86Å; L283-Y302 HydrophobicContact CD2-CG 4.41Å; L283-I303 HydrophobicContact CD1-CD1 3.92Å; L283-I303 HydrophobicContact CD1-CG1 4.19Å |
| 284 | T | 98 | Very high | 97.2 | Very high | 58 Ų | 58 | 56.9 Ų | 56.9 | 36% | 0.356 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -61.4 | -12.3 | 179 | 52.9 | 0 | 0 | 0 | 0 | 114.9 | P282 C286 Y287 P288 Y290 | P282-T284 PolarHBondContact O-N 2.75Å; P282-T284 VanDerWaalsContact O-N 3.16Å; T284-C286 VanDerWaalsContact C-N 3.31Å; T284-Y287 WeakPolarHBondContact CA-O 3.5Å; T284-P288 WeakPolarHBondContact O-CA 3.47Å; T284-Y290 HydrophobicContact CG2-CD1 4.49Å; T284-Y290 WeakPolarHBondContact CG2-O 3.45Å |
| 285 | I | 96.4 | Very high | 97.2 | Very high | 74 Ų | 74 | 59.5 Ų | 59.5 | 38% | 0.379 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -63 | -39.9 | 168.9 | -68.4 | 168.1 | 0 | 0 | 0 | 111.2 | D231 S281 P282 L283 | D231-I285 HydrophobicContact CB-CD1 4.3Å; D231-I285 HydrophobicContact CB-CG2 4.22Å; S281-I285 WeakPolarHBondContact OG-CD1 3.45Å; P282-I285 HydrophobicContact CG-CD1 4.21Å; P282-I285 HydrophobicContact CG-CG1 4.28Å; P282-I285 WeakPolarHBondContact O-CG1 3.07Å; P282-I285 PolarHBondContact O-N 3.47Å; L283-I285 PolarHBondContact O-N 2.58Å |
| 286 | C | 97.7 | Very high | 97.2 | Very high | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.014 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -41.3 | 176.8 | -168.9 | 0 | 0 | 0 | 0 | 111.5 | Y230 H244 L283 T284 P288 | Y230-C286 WeakPolarHBondContact O-CB 3.35Å; H244-C286 PolarHBondContact CE1-O 3.22Å; H244-C286 PolarHBondContact NE2-O 3.37Å; H244-C286 VanDerWaalsContact NE2-O 3.13Å; L283-C286 PolarHBondContact O-N 3.12Å; T284-C286 VanDerWaalsContact C-N 3.31Å; C286-P288 WeakPolarHBondContact O-CD 3.35Å |
| 287 | Y | 97.7 | Very high | 97.2 | Very high | 3 Ų | 3 | 59.2 Ų | 59.2 | 1% | 0.012 | 31% | 0.312 | C | S | . | . | trans | -123.1 | 80.3 | -172.6 | -57 | -80.9 | 0 | 0 | 0 | 110.4 | M243 M247 L283 T284 E289 Y290 Y302 I303 Q306 | M243-Y287 HydrophobicContact CG-CE2 4.34Å; M243-Y287 VanDerWaalsContact CG-OH 3.23Å; M243-Y287 WeakPolarHBondContact CG-OH 3.49Å; M247-Y287 HydrophobicContact SD-CE1 3.9Å; M247-Y287 PolarHBondContact SD-OH 3.42Å; L283-Y287 HydrophobicContact CD1-CD2 3.67Å; L283-Y287 HydrophobicContact CD1-CE2 3.95Å; L283-Y287 HydrophobicContact CD2-CD2 4.24Å; L283-Y287 HydrophobicContact CG-CD2 3.75Å; L283-Y287 HydrophobicContact CG-CE2 4.47Å; L283-Y287 PolarHBondContact O-N 3.25Å; T284-Y287 WeakPolarHBondContact CA-O 3.5Å; Y287-E289 PolarHBondContact O-N 2.97Å; Y287-Y290 WeakPolarHBondContact O-CB 3.18Å; Y287-Y290 PolarHBondContact O-N 3.28Å; Y287-Y302 AromaticContact CD1-CE1 3.79Å; Y287-Y302 HydrophobicContact CD1-CE1 3.79Å; Y287-Y302 HydrophobicContact CD2-CD1 4.42Å; Y287-Y302 HydrophobicContact CD2-CE1 4.06Å; Y287-Y302 HydrophobicContact CE1-CE1 4.32Å; Y287-Y302 HydrophobicContact CG-CD1 4.43Å; Y287-Y302 AromaticContact CG-CE1 3.64Å; Y287-Y302 HydrophobicContact CG-CE1 3.64Å; Y287-I303 HydrophobicContact CE2-CG1 4Å; Y287-Q306 HydrophobicContact CD1-CG 4.37Å; Y287-Q306 HydrophobicContact CE1-CB 4.38Å; Y287-Q306 HydrophobicContact CE1-CG 3.83Å | ||
| 288 | P | 97.4 | Very high | 97.3 | Very high | 102 Ų | 102 | 62.8 Ų | 62.8 | 66% | 0.662 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -26.4 | -175.5 | -27.7 | 35.9 | 0 | 0 | 0 | 114.8 | T284 C286 Y290 | T284-P288 WeakPolarHBondContact O-CA 3.47Å; C286-P288 WeakPolarHBondContact O-CD 3.35Å; P288-Y290 VanDerWaalsContact C-N 3.34Å |
| 289 | E | 96.6 | Very high | 97.3 | Very high | 116 Ų | 116 | 62.7 Ų | 62.7 | 54% | 0.542 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -6.9 | 177.3 | 70.6 | -77.2 | -178.3 | 0 | 0 | 114.5 | Y287 T291 Y302 | Y287-E289 PolarHBondContact O-N 2.97Å; E289-T291 PolarHBondContact O-N 3.08Å; E289-Y302 PolarHBondContact OE1-OH 3.08Å |
| 290 | Y | 97.9 | Very high | 97.4 | Very high | 17 Ų | 17 | 56.4 Ų | 56.4 | 7% | 0.067 | 30% | 0.302 | C | S | . | . | trans | -66.7 | 122.5 | 179.4 | 179.8 | -110 | 0 | 0 | 0 | 111.5 | L283 T284 Y287 P288 G292 S293 E298 A299 Y302 | L283-Y290 HydrophobicContact CB-CD1 3.8Å; L283-Y290 HydrophobicContact CB-CE1 4.02Å; L283-Y290 HydrophobicContact CB-CG 4.41Å; L283-Y290 HydrophobicContact CD2-CD1 3.82Å; L283-Y290 HydrophobicContact CD2-CD2 3.86Å; L283-Y290 HydrophobicContact CD2-CE1 3.85Å; L283-Y290 HydrophobicContact CD2-CE2 3.92Å; L283-Y290 HydrophobicContact CD2-CG 3.8Å; L283-Y290 HydrophobicContact CG-CD1 4.18Å; L283-Y290 HydrophobicContact CG-CE1 4.49Å; L283-Y290 HydrophobicContact CG-CG 4.33Å; T284-Y290 HydrophobicContact CG2-CD1 4.49Å; T284-Y290 WeakPolarHBondContact CG2-O 3.45Å; Y287-Y290 WeakPolarHBondContact O-CB 3.18Å; Y287-Y290 PolarHBondContact O-N 3.28Å; P288-Y290 VanDerWaalsContact C-N 3.34Å; Y290-G292 VanDerWaalsContact CE1-C 3.41Å; Y290-G292 WeakPolarHBondContact CE1-O 3.32Å; Y290-G292 VanDerWaalsContact CZ-CA 3.4Å; Y290-G292 WeakPolarHBondContact OH-CA 3.36Å; Y290-S293 PolarHBondContact OH-O 3.38Å; Y290-E298 WeakPolarHBondContact OH-CB 3.47Å; Y290-A299 PolarHBondContact OH-N 3.39Å; Y290-Y302 AromaticContact CD2-CD1 3.82Å; Y290-Y302 HydrophobicContact CD2-CD1 3.82Å; Y290-Y302 AromaticContact CD2-CD2 3.52Å; Y290-Y302 HydrophobicContact CD2-CD2 3.52Å; Y290-Y302 HydrophobicContact CD2-CE1 4.07Å; Y290-Y302 AromaticContact CD2-CE2 3.79Å; Y290-Y302 HydrophobicContact CD2-CE2 3.79Å; Y290-Y302 AromaticContact CD2-CG 3.52Å; Y290-Y302 HydrophobicContact CD2-CG 3.52Å; Y290-Y302 HydrophobicContact CE2-CD1 4.24Å; Y290-Y302 AromaticContact CE2-CD2 3.77Å; Y290-Y302 HydrophobicContact CE2-CD2 3.77Å; Y290-Y302 HydrophobicContact CE2-CE2 4.47Å; Y290-Y302 AromaticContact CE2-CG 3.62Å; Y290-Y302 HydrophobicContact CE2-CG 3.62Å | ||
| 291 | T | 96.9 | Very high | 97.5 | Very high | 143 Ų | 143 | 50.7 Ų | 50.7 | 88% | 0.877 | 29% | 0.29 | S | S | * | . | trans | -109.5 | -3.4 | -178.3 | 55.6 | 0 | 0 | 0 | 0 | 114 | E289 | E289-T291 PolarHBondContact O-N 3.08Š| ||
| 292 | G | 96.1 | Very high | 97.6 | Very high | 28 Ų | 28 | 52.8 Ų | 52.8 | 29% | 0.289 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -76.6 | 177.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y290 E298 | Y290-G292 VanDerWaalsContact CE1-C 3.41Å; Y290-G292 WeakPolarHBondContact CE1-O 3.32Å; Y290-G292 VanDerWaalsContact CZ-CA 3.4Å; Y290-G292 WeakPolarHBondContact OH-CA 3.36Å; G292-E298 WeakPolarHBondContact CA-OE2 3.38Å |
| 293 | S | 96.8 | Very high | 97.7 | Very high | 41 Ų | 41 | 50.6 Ų | 50.6 | 29% | 0.287 | 28% | 0.283 | S | S | . | . | trans | -77 | 147.9 | 177.8 | 72.3 | 0 | 0 | 0 | 0 | 111.8 | Y290 T295 E298 | Y290-S293 PolarHBondContact OH-O 3.38Å; S293-T295 PolarHBondContact O-N 2.88Å; S293-T295 VanDerWaalsContact OG-CG2 3.31Å; S293-T295 WeakPolarHBondContact OG-CG2 3.38Å; S293-T295 PolarHBondContact OG-OG1 3.34Å; S293-E298 PolarHBondContact N-OE2 3.17Å; S293-E298 PolarHBondContact OG-OE1 3.15Å; S293-E298 PolarHBondContact OG-OE2 3.47Å | ||
| 294 | N | 96.9 | Very high | 97.7 | Very high | 65 Ų | 65 | 52.9 Ų | 52.9 | 35% | 0.348 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -77.6 | 45 | 172.9 | -67.1 | -60.9 | 0 | 0 | 0 | 111.9 | I278 P282 L283 | I278-N294 HydrophobicContact CD1-CB 4.29Å; I278-N294 HydrophobicContact CG1-CB 4.08Å; P282-N294 WeakPolarHBondContact CA-OD1 3.41Å; L283-N294 PolarHBondContact N-OD1 3.41Å |
| 295 | T | 97.8 | Very high | 97.7 | Very high | 55 Ų | 55 | 53 Ų | 53 | 34% | 0.337 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -90.6 | 157.2 | 170.2 | 57.6 | 0 | 0 | 0 | 0 | 109.6 | S293 E297 E298 A299 | S293-T295 PolarHBondContact O-N 2.88Å; S293-T295 VanDerWaalsContact OG-CG2 3.31Å; S293-T295 WeakPolarHBondContact OG-CG2 3.38Å; S293-T295 PolarHBondContact OG-OG1 3.34Å; T295-E297 VanDerWaalsContact C-N 3.31Å; T295-E297 PolarHBondContact O-N 2.84Å; T295-E298 PolarHBondContact OG1-N 2.94Å; T295-A299 WeakPolarHBondContact O-CB 3.43Å; T295-A299 PolarHBondContact O-N 2.86Å; T295-A299 VanDerWaalsContact O-N 3.16Å |
| 296 | Y | 98.2 | Very high | 97.8 | Very high | 41 Ų | 41 | 51.6 Ų | 51.6 | 16% | 0.161 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.3 | -47.4 | 177.8 | 167.8 | -100.1 | 0 | 0 | 0 | 110.8 | K271 F274 E275 A300 | K271-Y296 HydrophobicContact CB-CE2 4.02Å; F274-Y296 AromaticContact CD1-CD2 3.71Å; F274-Y296 HydrophobicContact CD1-CD2 3.71Å; F274-Y296 AromaticContact CD1-CE2 3.98Å; F274-Y296 HydrophobicContact CD1-CE2 3.98Å; F274-Y296 HydrophobicContact CE1-CD2 4.1Å; E275-Y296 HydrophobicContact CB-CD2 3.73Å; E275-Y296 HydrophobicContact CB-CE2 4.39Å; E275-Y296 HydrophobicContact CB-CG 4.25Å; E275-Y296 HydrophobicContact CG-CD2 4.22Å; E275-Y296 HydrophobicContact CG-CG 4.24Å; Y296-A300 HydrophobicContact CD2-CB 4.45Å; Y296-A300 HydrophobicContact CE2-CB 4.2Å; Y296-A300 WeakPolarHBondContact O-CB 3.35Å; Y296-A300 PolarHBondContact O-N 2.7Å |
| 297 | E | 98.1 | Very high | 97.8 | Very high | 126 Ų | 126 | 51.5 Ų | 51.5 | 59% | 0.589 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -63.4 | -53 | -172.6 | -64.3 | 71.7 | -159.2 | 0 | 0 | 112 | T295 A301 | T295-E297 VanDerWaalsContact C-N 3.31Å; T295-E297 PolarHBondContact O-N 2.84Å; E297-A301 WeakPolarHBondContact O-CB 3.39Å; E297-A301 PolarHBondContact O-N 3.36Å |
| 298 | E | 98.1 | Very high | 97.8 | Very high | 95 Ų | 95 | 53.9 Ų | 53.9 | 44% | 0.444 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -69.5 | -41.4 | -178.2 | -73.6 | -174.8 | -132.7 | 0 | 0 | 112.2 | Y290 G292 S293 T295 Y302 | Y290-E298 WeakPolarHBondContact OH-CB 3.47Å; G292-E298 WeakPolarHBondContact CA-OE2 3.38Å; S293-E298 PolarHBondContact N-OE2 3.17Å; S293-E298 PolarHBondContact OG-OE1 3.15Å; S293-E298 PolarHBondContact OG-OE2 3.47Å; T295-E298 PolarHBondContact OG1-N 2.94Å; E298-Y302 WeakPolarHBondContact O-CB 3.35Å; E298-Y302 PolarHBondContact O-N 2.87Å |
| 299 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -71 | -40.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F274 I278 L283 Y290 T295 Y302 I303 | F274-A299 HydrophobicContact CE1-CB 4.15Å; F274-A299 HydrophobicContact CZ-CB 3.66Å; I278-A299 HydrophobicContact CD1-CB 3.99Å; I278-A299 HydrophobicContact CG1-CB 3.94Å; L283-A299 HydrophobicContact CD2-CB 3.95Å; Y290-A299 PolarHBondContact OH-N 3.39Å; T295-A299 WeakPolarHBondContact O-CB 3.43Å; T295-A299 PolarHBondContact O-N 2.86Å; T295-A299 VanDerWaalsContact O-N 3.16Å; A299-Y302 PolarHBondContact O-N 3.39Å; A299-I303 WeakPolarHBondContact O-CG1 3.48Å; A299-I303 PolarHBondContact O-N 3.29Å |
| 300 | A | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 2% | 0.017 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.5 | -42.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F274 Y296 Y302 I303 Q304 F323 | F274-A300 HydrophobicContact CE1-CB 3.92Å; Y296-A300 HydrophobicContact CD2-CB 4.45Å; Y296-A300 HydrophobicContact CE2-CB 4.2Å; Y296-A300 WeakPolarHBondContact O-CB 3.35Å; Y296-A300 PolarHBondContact O-N 2.7Å; A300-Y302 VanDerWaalsContact C-N 3.33Å; A300-Y302 PolarHBondContact O-N 2.72Å; A300-I303 PolarHBondContact O-N 2.99Å; A300-Q304 WeakPolarHBondContact O-CB 3.42Å; A300-Q304 PolarHBondContact O-N 2.78Å; A300-F323 HydrophobicContact CB-CD1 4.41Å; A300-F323 HydrophobicContact CB-CE1 3.63Å; A300-F323 HydrophobicContact CB-CZ 4.03Å |
| 301 | A | 98.4 | Very high | 97.9 | Very high | 45 Ų | 45 | 49.4 Ų | 49.4 | 37% | 0.372 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.8 | -39.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E297 Q304 C305 | E297-A301 WeakPolarHBondContact O-CB 3.39Å; E297-A301 PolarHBondContact O-N 3.36Å; A301-Q304 WeakPolarHBondContact O-CB 3.34Å; A301-Q304 PolarHBondContact O-N 2.87Å; A301-C305 PolarHBondContact O-N 3.06Å; A301-C305 PolarHBondContact O-SG 3.01Å; A301-C305 VanDerWaalsContact O-SG 3.33Å |
| 302 | Y | 98.6 | Very high | 97.9 | Very high | 49 Ų | 49 | 51.1 Ų | 51.1 | 19% | 0.192 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.7 | -49.3 | 175 | -177.1 | -91.3 | 0 | 0 | 0 | 111.8 | L283 Y287 E289 Y290 E298 A299 A300 Q304 C305 Q306 | L283-Y302 HydrophobicContact CD2-CD1 3.86Å; L283-Y302 HydrophobicContact CD2-CG 4.41Å; Y287-Y302 AromaticContact CD1-CE1 3.79Å; Y287-Y302 HydrophobicContact CD1-CE1 3.79Å; Y287-Y302 HydrophobicContact CD2-CD1 4.42Å; Y287-Y302 HydrophobicContact CD2-CE1 4.06Å; Y287-Y302 HydrophobicContact CE1-CE1 4.32Å; Y287-Y302 HydrophobicContact CG-CD1 4.43Å; Y287-Y302 AromaticContact CG-CE1 3.64Å; Y287-Y302 HydrophobicContact CG-CE1 3.64Å; E289-Y302 PolarHBondContact OE1-OH 3.08Å; Y290-Y302 AromaticContact CD2-CD1 3.82Å; Y290-Y302 HydrophobicContact CD2-CD1 3.82Å; Y290-Y302 AromaticContact CD2-CD2 3.52Å; Y290-Y302 HydrophobicContact CD2-CD2 3.52Å; Y290-Y302 HydrophobicContact CD2-CE1 4.07Å; Y290-Y302 AromaticContact CD2-CE2 3.79Å; Y290-Y302 HydrophobicContact CD2-CE2 3.79Å; Y290-Y302 AromaticContact CD2-CG 3.52Å; Y290-Y302 HydrophobicContact CD2-CG 3.52Å; Y290-Y302 HydrophobicContact CE2-CD1 4.24Å; Y290-Y302 AromaticContact CE2-CD2 3.77Å; Y290-Y302 HydrophobicContact CE2-CD2 3.77Å; Y290-Y302 HydrophobicContact CE2-CE2 4.47Å; Y290-Y302 AromaticContact CE2-CG 3.62Å; Y290-Y302 HydrophobicContact CE2-CG 3.62Å; E298-Y302 WeakPolarHBondContact O-CB 3.35Å; E298-Y302 PolarHBondContact O-N 2.87Å; A299-Y302 PolarHBondContact O-N 3.39Å; A300-Y302 VanDerWaalsContact C-N 3.33Å; A300-Y302 PolarHBondContact O-N 2.72Å; Y302-Q304 VanDerWaalsContact C-N 3.29Å; Y302-Q304 PolarHBondContact O-N 3.16Å; Y302-C305 PolarHBondContact O-N 2.89Å; Y302-Q306 HydrophobicContact CD1-CG 3.92Å; Y302-Q306 HydrophobicContact CE1-CG 3.59Å; Y302-Q306 WeakPolarHBondContact O-CG 3.46Å; Y302-Q306 PolarHBondContact O-N 3.28Å |
| 303 | I | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.5 | -42.3 | 176.9 | -65.5 | 166.2 | 0 | 0 | 0 | 110.6 | L227 M243 F274 L283 Y287 A299 A300 C305 Q306 F307 | L227-I303 HydrophobicContact CD2-CB 4.18Å; L227-I303 HydrophobicContact CD2-CD1 3.98Å; L227-I303 HydrophobicContact CD2-CG2 3.71Å; M243-I303 HydrophobicContact CE-CD1 4.37Å; M243-I303 HydrophobicContact CE-CG2 4.23Å; M243-I303 HydrophobicContact SD-CG2 4.31Å; F274-I303 HydrophobicContact CE2-CD1 3.74Å; F274-I303 HydrophobicContact CZ-CD1 3.76Å; L283-I303 HydrophobicContact CD1-CD1 3.92Å; L283-I303 HydrophobicContact CD1-CG1 4.19Å; Y287-I303 HydrophobicContact CE2-CG1 4Å; A299-I303 WeakPolarHBondContact O-CG1 3.48Å; A299-I303 PolarHBondContact O-N 3.29Å; A300-I303 PolarHBondContact O-N 2.99Å; I303-C305 PolarHBondContact O-N 3.31Å; I303-Q306 WeakPolarHBondContact O-CB 3.5Å; I303-Q306 PolarHBondContact O-N 3.43Å; I303-F307 HydrophobicContact CG2-CD2 3.94Å; I303-F307 HydrophobicContact CG2-CE2 3.92Å; I303-F307 WeakPolarHBondContact O-CD2 3.4Å; I303-F307 PolarHBondContact O-N 2.82Å; I303-F307 VanDerWaalsContact O-N 3.12Å |
| 304 | Q | 98.5 | Very high | 97.5 | Very high | 48 Ų | 48 | 56.2 Ų | 56.2 | 22% | 0.224 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -54 | -52.8 | 174.7 | 170.2 | 173.2 | -2.5 | 0 | 0 | 111.6 | L268 A300 A301 Y302 Q306 F307 E308 T321 F323 | L268-Q304 HydrophobicContact CD1-CB 3.66Å; L268-Q304 HydrophobicContact CD1-CG 4.26Å; A300-Q304 WeakPolarHBondContact O-CB 3.42Å; A300-Q304 PolarHBondContact O-N 2.78Å; A301-Q304 WeakPolarHBondContact O-CB 3.34Å; A301-Q304 PolarHBondContact O-N 2.87Å; Y302-Q304 VanDerWaalsContact C-N 3.29Å; Y302-Q304 PolarHBondContact O-N 3.16Å; Q304-Q306 VanDerWaalsContact C-N 3.28Å; Q304-Q306 PolarHBondContact O-N 3.41Å; Q304-F307 PolarHBondContact O-N 3.35Å; Q304-F307 VanDerWaalsContact O-N 3.1Å; Q304-E308 HydrophobicContact CG-CG 4.3Å; Q304-E308 VanDerWaalsContact CG-OE1 3.32Å; Q304-E308 WeakPolarHBondContact CG-OE1 3.48Å; Q304-E308 PolarHBondContact NE2-OE1 2.65Å; Q304-E308 WeakPolarHBondContact O-CG 3.28Å; Q304-E308 PolarHBondContact O-N 2.81Å; Q304-T321 HydrophobicContact CG-CG2 3.97Å; Q304-F323 HydrophobicContact CB-CZ 4.12Å; Q304-F323 VanDerWaalsContact OE1-CZ 3.29Å |
| 305 | C | 97.9 | Very high | 97.2 | Very high | 60 Ų | 60 | 59.7 Ų | 59.7 | 41% | 0.405 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -56.9 | -43.1 | 177.4 | -67.7 | 0 | 0 | 0 | 0 | 111.6 | A301 Y302 I303 F307 E308 D309 | A301-C305 PolarHBondContact O-N 3.06Å; A301-C305 PolarHBondContact O-SG 3.01Å; A301-C305 VanDerWaalsContact O-SG 3.33Å; Y302-C305 PolarHBondContact O-N 2.89Å; I303-C305 PolarHBondContact O-N 3.31Å; C305-F307 VanDerWaalsContact C-N 3.26Å; C305-F307 PolarHBondContact O-N 2.85Å; C305-E308 PolarHBondContact O-N 2.99Å; C305-D309 VanDerWaalsContact O-CB 3.25Å; C305-D309 WeakPolarHBondContact O-CB 3.19Å; C305-D309 PolarHBondContact O-N 3.03Å |
| 306 | Q | 98.3 | Very high | 96.9 | Very high | 46 Ų | 46 | 62.3 Ų | 62.3 | 22% | 0.215 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.9 | -36.6 | 178.1 | -68.7 | -56.9 | -53.2 | 0 | 0 | 112.9 | M247 Y287 Y302 I303 Q304 L310 | M247-Q306 HydrophobicContact CE-CB 3.85Å; M247-Q306 HydrophobicContact SD-CB 4.48Å; Y287-Q306 HydrophobicContact CD1-CG 4.37Å; Y287-Q306 HydrophobicContact CE1-CB 4.38Å; Y287-Q306 HydrophobicContact CE1-CG 3.83Å; Y302-Q306 HydrophobicContact CD1-CG 3.92Å; Y302-Q306 HydrophobicContact CE1-CG 3.59Å; Y302-Q306 WeakPolarHBondContact O-CG 3.46Å; Y302-Q306 PolarHBondContact O-N 3.28Å; I303-Q306 WeakPolarHBondContact O-CB 3.5Å; I303-Q306 PolarHBondContact O-N 3.43Å; Q304-Q306 VanDerWaalsContact C-N 3.28Å; Q304-Q306 PolarHBondContact O-N 3.41Å; Q306-L310 WeakPolarHBondContact O-CG 3.22Å |
| 307 | F | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -78.4 | -45.1 | 175.6 | -84.1 | -94.6 | 0 | 0 | 0 | 112.4 | V225 M243 M247 F250 L266 L268 I303 Q304 C305 D309 L310 | V225-F307 HydrophobicContact CB-CZ 4.28Å; V225-F307 HydrophobicContact CG1-CE1 4.25Å; V225-F307 HydrophobicContact CG1-CE2 3.84Å; V225-F307 HydrophobicContact CG1-CZ 3.56Å; V225-F307 HydrophobicContact CG2-CD1 3.95Å; V225-F307 HydrophobicContact CG2-CE1 3.44Å; V225-F307 VanDerWaalsContact CG2-CE1 3.44Å; V225-F307 HydrophobicContact CG2-CE2 4.33Å; V225-F307 HydrophobicContact CG2-CZ 3.66Å; M243-F307 HydrophobicContact SD-CE2 3.51Å; M243-F307 VanDerWaalsContact SD-CE2 3.51Å; M243-F307 HydrophobicContact SD-CZ 3.74Å; M247-F307 HydrophobicContact CB-CE1 4.47Å; M247-F307 HydrophobicContact CB-CZ 4.34Å; M247-F307 HydrophobicContact CG-CD1 4.49Å; M247-F307 HydrophobicContact CG-CD2 4.23Å; M247-F307 HydrophobicContact CG-CE1 3.91Å; M247-F307 HydrophobicContact CG-CE2 3.62Å; M247-F307 HydrophobicContact CG-CZ 3.43Å; M247-F307 VanDerWaalsContact CG-CZ 3.43Å; F250-F307 HydrophobicContact CB-CD1 3.79Å; F250-F307 HydrophobicContact CB-CE1 3.82Å; F250-F307 HydrophobicContact CD1-CB 4.4Å; F250-F307 AromaticContact CD1-CD1 3.74Å; F250-F307 HydrophobicContact CD1-CD1 3.74Å; F250-F307 HydrophobicContact CD2-CD1 4.45Å; F250-F307 HydrophobicContact CE1-CB 4.41Å; F250-F307 HydrophobicContact CE1-CD1 4.43Å; F250-F307 WeakPolarHBondContact CE1-O 3.23Å; F250-F307 AromaticContact CG-CD1 3.73Å; F250-F307 HydrophobicContact CG-CD1 3.73Å; F250-F307 HydrophobicContact CG-CE1 4.25Å; L266-F307 HydrophobicContact CD1-CD1 4.21Å; L266-F307 HydrophobicContact CD2-CB 3.54Å; L266-F307 HydrophobicContact CD2-CG 4.2Å; L268-F307 HydrophobicContact CD2-CD2 4.49Å; I303-F307 HydrophobicContact CG2-CD2 3.94Å; I303-F307 HydrophobicContact CG2-CE2 3.92Å; I303-F307 WeakPolarHBondContact O-CD2 3.4Å; I303-F307 PolarHBondContact O-N 2.82Å; I303-F307 VanDerWaalsContact O-N 3.12Å; Q304-F307 PolarHBondContact O-N 3.35Å; Q304-F307 VanDerWaalsContact O-N 3.1Å; C305-F307 VanDerWaalsContact C-N 3.26Å; C305-F307 PolarHBondContact O-N 2.85Å; F307-D309 PolarHBondContact O-N 2.94Å; F307-L310 WeakPolarHBondContact O-CB 3.34Å; F307-L310 PolarHBondContact O-N 3.21Å; F307-L310 VanDerWaalsContact O-N 3.08Å |
| 308 | E | 97.7 | Very high | 96.1 | Very high | 53 Ų | 53 | 61 Ų | 61 | 25% | 0.248 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.1 | -32.7 | -179.9 | -71.4 | 176.4 | 177.7 | 0 | 0 | 112.1 | Q304 C305 L310 N311 K314 T321 | Q304-E308 HydrophobicContact CG-CG 4.3Å; Q304-E308 VanDerWaalsContact CG-OE1 3.32Å; Q304-E308 WeakPolarHBondContact CG-OE1 3.48Å; Q304-E308 PolarHBondContact NE2-OE1 2.65Å; Q304-E308 WeakPolarHBondContact O-CG 3.28Å; Q304-E308 PolarHBondContact O-N 2.81Å; C305-E308 PolarHBondContact O-N 2.99Å; E308-L310 PolarHBondContact O-N 3.37Å; E308-N311 WeakPolarHBondContact O-CB 3.18Å; E308-N311 PolarHBondContact O-N 2.75Å; E308-K314 WeakPolarHBondContact O-CE 3.3Å; E308-T321 VanDerWaalsContact OE1-CB 3.31Å; E308-T321 WeakPolarHBondContact OE1-CB 3.44Å; E308-T321 PolarHBondContact OE1-OG1 2.94Å |
| 309 | D | 97.5 | Very high | 96 | Very high | 94 Ų | 94 | 57.3 Ų | 57.3 | 50% | 0.503 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -17.9 | 176 | -75.1 | -18.3 | 0 | 0 | 0 | 114.1 | C305 F307 N311 K314 | C305-D309 VanDerWaalsContact O-CB 3.25Å; C305-D309 WeakPolarHBondContact O-CB 3.19Å; C305-D309 PolarHBondContact O-N 3.03Å; F307-D309 PolarHBondContact O-N 2.94Å; D309-N311 VanDerWaalsContact C-N 3.26Å; D309-N311 PolarHBondContact O-N 3.39Å; D309-K314 IonicContact OD1-NZ 2.82Å; D309-K314 PolarHBondContact OD1-NZ 3.44Å |
| 310 | L | 98.1 | Very high | 95.8 | Very high | 40 Ų | 40 | 59.6 Ų | 59.6 | 21% | 0.209 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -18.6 | 174.3 | -61.9 | 171 | 0 | 0 | 0 | 112.6 | M247 F250 D251 N255 Q306 F307 E308 R312 | M247-L310 HydrophobicContact CB-CD1 3.92Å; M247-L310 HydrophobicContact CE-CD1 4.19Å; M247-L310 HydrophobicContact CG-CD1 4.29Å; M247-L310 WeakPolarHBondContact O-CD1 3.25Å; F250-L310 HydrophobicContact CB-CD1 4.49Å; F250-L310 HydrophobicContact CD1-CB 4.09Å; F250-L310 HydrophobicContact CD1-CD1 3.98Å; F250-L310 HydrophobicContact CE1-CB 4.46Å; D251-L310 HydrophobicContact CB-CB 4.29Å; D251-L310 HydrophobicContact CB-CD1 4.34Å; D251-L310 HydrophobicContact CB-CD2 4.28Å; N255-L310 PolarHBondContact ND2-O 2.59Å; Q306-L310 WeakPolarHBondContact O-CG 3.22Å; F307-L310 WeakPolarHBondContact O-CB 3.34Å; F307-L310 PolarHBondContact O-N 3.21Å; F307-L310 VanDerWaalsContact O-N 3.08Å; E308-L310 PolarHBondContact O-N 3.37Å; L310-R312 PolarHBondContact O-N 3.43Å |
| 311 | N | 97.4 | Very high | 95.8 | Very high | 7 Ų | 7 | 60.8 Ų | 60.8 | 4% | 0.037 | 30% | 0.301 | C | S | . | . | trans | -71.5 | 114 | 174.6 | 176.7 | 21.4 | 0 | 0 | 0 | 110.3 | E308 D309 R313 K314 K317 I319 | E308-N311 WeakPolarHBondContact O-CB 3.18Å; E308-N311 PolarHBondContact O-N 2.75Å; D309-N311 VanDerWaalsContact C-N 3.26Å; D309-N311 PolarHBondContact O-N 3.39Å; N311-R313 VanDerWaalsContact C-N 3.3Å; N311-R313 PolarHBondContact O-N 3.38Å; N311-R313 PolarHBondContact OD1-N 2.98Å; N311-K314 WeakPolarHBondContact O-CG 3.16Å; N311-K317 PolarHBondContact ND2-O 3.03Å; N311-I319 HydrophobicContact CB-CD1 4.42Å; N311-I319 HydrophobicContact CB-CG1 3.96Å | ||
| 312 | R | 96.4 | Very high | 95.8 | Very high | 178 Ų | 178 | 60.6 Ų | 60.6 | 67% | 0.672 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -84.5 | -5.9 | -177.9 | -57.9 | 174.3 | -159.9 | -173.7 | 3.2 | 113.4 | D251 N255 L310 | D251-R312 VanDerWaalsContact CG-NH2 3.29Å; D251-R312 IonicContact OD1-CZ 3.19Å; D251-R312 IonicContact OD1-NE 2.69Å; D251-R312 PolarHBondContact OD1-NE 3.45Å; D251-R312 IonicContact OD1-NH2 2.68Å; D251-R312 PolarHBondContact OD1-NH2 3.36Å; D251-R312 IonicContact OD2-NH2 2.82Å; D251-R312 PolarHBondContact OD2-NH2 3.49Å; N255-R312 PolarHBondContact ND2-NE 2.84Å; N255-R312 WeakPolarHBondContact OD1-CB 3.46Å; N255-R312 PolarHBondContact OD1-N 3.17Å; N255-R312 VanDerWaalsContact OD1-N 3.1Å; L310-R312 PolarHBondContact O-N 3.43Å |
| 313 | R | 94 | Very high | 95.7 | Very high | 54 Ų | 54 | 60.8 Ų | 60.8 | 20% | 0.204 | 29% | 0.294 | C | S | . | . | trans | -116.6 | 42.5 | -176.1 | -66.5 | -169.9 | -62.2 | -78.7 | -1 | 111.4 | C254 N311 D315 T316 K317 | C254-R313 PolarHBondContact O-NH2 3.34Å; N311-R313 VanDerWaalsContact C-N 3.3Å; N311-R313 PolarHBondContact O-N 3.38Å; N311-R313 PolarHBondContact OD1-N 2.98Å; R313-D315 VanDerWaalsContact C-OD1 3.29Å; R313-D315 PolarHBondContact O-N 2.91Å; R313-D315 VanDerWaalsContact O-N 3.11Å; R313-T316 PolarHBondContact O-N 2.81Å; R313-T316 PolarHBondContact O-OG1 3.07Å; R313-K317 HydrophobicContact CB-CB 4.02Å; R313-K317 WeakPolarHBondContact O-CA 3.38Å; R313-K317 WeakPolarHBondContact O-CB 3.46Å; R313-K317 PolarHBondContact O-N 3.31Å | ||
| 314 | K | 91.7 | Very high | 95.7 | Very high | 122 Ų | 122 | 60.8 Ų | 60.8 | 53% | 0.53 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -25 | -174 | -60.9 | -170.6 | 175.3 | -174.8 | 0 | 114.1 | E308 D309 N311 | E308-K314 WeakPolarHBondContact O-CE 3.3Å; D309-K314 IonicContact OD1-NZ 2.82Å; D309-K314 PolarHBondContact OD1-NZ 3.44Å; N311-K314 WeakPolarHBondContact O-CG 3.16Å |
| 315 | D | 90.8 | Very high | 95.7 | Very high | 139 Ų | 139 | 59 Ų | 59 | 74% | 0.743 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -27.9 | 178.2 | 60.9 | -41.9 | 0 | 0 | 0 | 113.4 | R313 | R313-D315 VanDerWaalsContact C-OD1 3.29Å; R313-D315 PolarHBondContact O-N 2.91Å; R313-D315 VanDerWaalsContact O-N 3.11Å |
| 316 | T | 90.3 | Very high | 95.7 | Very high | 109 Ų | 109 | 56.3 Ų | 56.3 | 67% | 0.669 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.3 | -15.9 | -173.2 | 45.5 | 0 | 0 | 0 | 0 | 113.5 | R313 | R313-T316 PolarHBondContact O-N 2.81Å; R313-T316 PolarHBondContact O-OG1 3.07Å |
| 317 | K | 90 | Very high | 95.6 | Very high | 15 Ų | 15 | 55 Ų | 55 | 7% | 0.065 | 26% | 0.264 | C | S | . | . | trans | -135.5 | 114.1 | -174.5 | -175 | 164.6 | -169.3 | 158 | 0 | 110.7 | F259 T262 I264 N311 R313 | F259-K317 PolarHBondContact O-NZ 3.42Å; T262-K317 VanDerWaalsContact O-CE 3.23Å; T262-K317 WeakPolarHBondContact O-CE 3.43Å; T262-K317 PolarHBondContact O-NZ 3.49Å; I264-K317 VanDerWaalsContact CD1-CE 3.45Å; I264-K317 VanDerWaalsContact CD1-NZ 3.26Å; N311-K317 PolarHBondContact ND2-O 3.03Å; R313-K317 HydrophobicContact CB-CB 4.02Å; R313-K317 WeakPolarHBondContact O-CA 3.38Å; R313-K317 WeakPolarHBondContact O-CB 3.46Å; R313-K317 PolarHBondContact O-N 3.31Å | ||
| 318 | E | 90.6 | Very high | 95.6 | Very high | 124 Ų | 124 | 58.2 Ų | 58.2 | 58% | 0.579 | 28% | 0.281 | S | S | * | . | trans | -86.9 | 143 | 173.1 | -169.5 | 172.4 | -159.7 | 0 | 0 | 110.5 | Y320 | E318-Y320 HydrophobicContact CB-CE2 4.4Å; E318-Y320 VanDerWaalsContact CD-CE1 3.47Å; E318-Y320 HydrophobicContact CG-CD1 4.48Å; E318-Y320 HydrophobicContact CG-CE1 3.98Å; E318-Y320 VanDerWaalsContact OE2-CE1 3.26Å; E318-Y320 WeakPolarHBondContact OE2-CE1 3.1Å; E318-Y320 PolarHBondContact OE2-OH 2.93Å | ||
| 319 | I | 95.2 | Very high | 95.6 | Very high | 18 Ų | 18 | 57.8 Ų | 57.8 | 9% | 0.092 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 118.8 | 171.7 | -57.1 | -60.4 | 0 | 0 | 0 | 107.3 | F250 I264 L266 N311 T321 | F250-I319 HydrophobicContact CZ-CD1 4.23Å; F250-I319 HydrophobicContact CZ-CG1 4.44Å; F250-I319 HydrophobicContact CZ-CG2 4.08Å; I264-I319 HydrophobicContact CB-CD1 3.73Å; I264-I319 HydrophobicContact CD1-CD1 4.29Å; I264-I319 HydrophobicContact CG2-CD1 3.86Å; L266-I319 HydrophobicContact CB-CG2 3.73Å; L266-I319 HydrophobicContact CD2-CG2 4.42Å; N311-I319 HydrophobicContact CB-CD1 4.42Å; N311-I319 HydrophobicContact CB-CG1 3.96Å; I319-T321 PolarHBondContact O-N 2.93Å |
| 320 | Y | 95.2 | Very high | 95.6 | Very high | 48 Ų | 48 | 61.3 Ų | 61.3 | 19% | 0.188 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 103.8 | -180 | -61.3 | -77.7 | 0 | 0 | 0 | 110.2 | I264 I265 L266 E318 V342 | I264-Y320 PolarHBondContact O-N 3.4Å; I265-Y320 CarbonylContact C-O 3.59Å; I265-Y320 VanDerWaalsContact CA-O 3.3Å; I265-Y320 WeakPolarHBondContact CA-O 3.48Å; I265-Y320 WeakPolarHBondContact CG2-O 3.48Å; L266-Y320 PolarHBondContact N-O 2.93Å; E318-Y320 HydrophobicContact CB-CE2 4.4Å; E318-Y320 VanDerWaalsContact CD-CE1 3.47Å; E318-Y320 HydrophobicContact CG-CD1 4.48Å; E318-Y320 HydrophobicContact CG-CE1 3.98Å; E318-Y320 VanDerWaalsContact OE2-CE1 3.26Å; E318-Y320 WeakPolarHBondContact OE2-CE1 3.1Å; E318-Y320 PolarHBondContact OE2-OH 2.93Å; Y320-V342 HydrophobicContact CD1-CG1 4.19Å; Y320-V342 HydrophobicContact CD1-CG2 4.13Å; Y320-V342 HydrophobicContact CD2-CG1 3.7Å; Y320-V342 HydrophobicContact CE1-CG1 3.97Å; Y320-V342 HydrophobicContact CE1-CG2 4.23Å; Y320-V342 HydrophobicContact CE2-CG1 3.41Å; Y320-V342 VanDerWaalsContact CE2-CG1 3.41Å; Y320-V342 HydrophobicContact CG-CG1 4.07Å; Y320-V342 HydrophobicContact CG-CG2 4.49Å |
| 321 | T | 97.6 | Very high | 95.6 | Very high | 27 Ų | 27 | 60.3 Ų | 60.3 | 17% | 0.166 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 132.7 | -174.2 | -54.2 | 0 | 0 | 0 | 0 | 112.5 | L266 L268 Q304 E308 I319 | L266-T321 HydrophobicContact CB-CG2 4.3Å; L266-T321 HydrophobicContact CD2-CG2 3.94Å; L266-T321 HydrophobicContact CG-CG2 4.17Å; L266-T321 CarbonylContact O-C 3.59Å; L266-T321 WeakPolarHBondContact O-CA 3.23Å; L268-T321 HydrophobicContact CD1-CG2 3.56Å; L268-T321 HydrophobicContact CG-CG2 3.85Å; Q304-T321 HydrophobicContact CG-CG2 3.97Å; E308-T321 VanDerWaalsContact OE1-CB 3.31Å; E308-T321 WeakPolarHBondContact OE1-CB 3.44Å; E308-T321 PolarHBondContact OE1-OG1 2.94Å; I319-T321 PolarHBondContact O-N 2.93Å |
| 322 | H | 98 | Very high | 95.6 | Very high | 41 Ų | 41 | 60.2 Ų | 60.2 | 19% | 0.19 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 131.7 | 175.7 | -64.6 | -86.8 | 0 | 0 | 0 | 112 | L266 F267 L268 T324 V335 | L266-H322 PolarHBondContact O-N 3.03Å; F267-H322 HydrophobicContact CD1-CB 4.2Å; F267-H322 HydrophobicContact CE1-CB 4.31Å; L268-H322 PolarHBondContact N-O 3.02Å; H322-T324 HydrophobicContact CB-CG2 4.34Å; H322-V335 HydrophobicContact CB-CG1 3.59Å; H322-V335 HydrophobicContact CB-CG2 4.22Å |
| 323 | F | 98.3 | Very high | 95.6 | Very high | 53 Ų | 53 | 56.9 Ų | 56.9 | 23% | 0.232 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 118.4 | 168.6 | -66.6 | -78.1 | 0 | 0 | 0 | 110.6 | L227 L268 K271 A300 Q304 | L227-F323 HydrophobicContact CD1-CD1 3.84Å; L227-F323 HydrophobicContact CD1-CE1 4.12Å; L268-F323 HydrophobicContact CB-CD1 3.78Å; L268-F323 HydrophobicContact CB-CE1 3.96Å; L268-F323 HydrophobicContact CD1-CD1 4.07Å; L268-F323 HydrophobicContact CD1-CE1 3.42Å; L268-F323 VanDerWaalsContact CD1-CE1 3.42Å; L268-F323 HydrophobicContact CD1-CZ 3.73Å; L268-F323 HydrophobicContact CG-CE1 4.34Å; L268-F323 WeakPolarHBondContact O-CA 3.45Å; K271-F323 HydrophobicContact CD-CB 4.09Å; A300-F323 HydrophobicContact CB-CD1 4.41Å; A300-F323 HydrophobicContact CB-CE1 3.63Å; A300-F323 HydrophobicContact CB-CZ 4.03Å; Q304-F323 HydrophobicContact CB-CZ 4.12Å; Q304-F323 VanDerWaalsContact OE1-CZ 3.29Å |
| 324 | T | 98.3 | Very high | 95.7 | Very high | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.006 | 30% | 0.3 | C | S | . | . | trans | -122 | 151.3 | -172.2 | 50.6 | 0 | 0 | 0 | 0 | 113.2 | F267 L268 N269 K270 K271 H322 N331 V335 | F267-T324 HydrophobicContact CB-CG2 4.44Å; F267-T324 HydrophobicContact CD1-CG2 4.17Å; F267-T324 HydrophobicContact CD2-CG2 4.07Å; F267-T324 HydrophobicContact CE1-CG2 4.45Å; F267-T324 HydrophobicContact CE2-CG2 4.37Å; F267-T324 HydrophobicContact CG-CG2 3.98Å; L268-T324 PolarHBondContact O-N 3.03Å; N269-T324 CarbonylContact C-O 3.59Å; N269-T324 VanDerWaalsContact CA-O 3.29Å; N269-T324 WeakPolarHBondContact CA-O 3.31Å; N269-T324 WeakPolarHBondContact CA-OG1 3.5Å; N269-T324 VanDerWaalsContact CB-OG1 3.3Å; N269-T324 WeakPolarHBondContact CB-OG1 3.4Å; N269-T324 PolarHBondContact OD1-O 3.1Å; N269-T324 PolarHBondContact OD1-OG1 3.12Å; K270-T324 PolarHBondContact N-O 2.89Å; K270-T324 VanDerWaalsContact N-O 3.08Å; K271-T324 WeakPolarHBondContact CG-O 3.38Å; K271-T324 PolarHBondContact N-O 3.28Å; K271-T324 VanDerWaalsContact N-O 3.17Å; H322-T324 HydrophobicContact CB-CG2 4.34Å; T324-N331 VanDerWaalsContact CA-OD1 3.23Å; T324-N331 WeakPolarHBondContact CA-OD1 3.44Å; T324-V335 HydrophobicContact CG2-CB 4.22Å; T324-V335 HydrophobicContact CG2-CG1 3.85Å; T324-V335 HydrophobicContact CG2-CG2 4.03Å | ||
| 325 | C | 98.1 | Very high | 95.8 | Very high | 9 Ų | 9 | 55.6 Ų | 55.6 | 6% | 0.061 | 28% | 0.276 | C | S | . | . | trans | -124.3 | 98.3 | 160.6 | 175.4 | 0 | 0 | 0 | 0 | 106.6 | K271 D272 T327 D328 N331 | K271-C325 HydrophobicContact CG-CB 4.28Å; D272-C325 VanDerWaalsContact CG-SG 3.58Å; C325-T327 PolarHBondContact O-N 3Å; C325-T327 PolarHBondContact SG-OG1 3.45Å; C325-D328 HydrophobicContact CB-CB 3.98Å; C325-D328 PolarHBondContact O-N 2.99Å; C325-N331 PolarHBondContact N-OD1 2.85Å | ||
| 326 | A | 97.6 | Very high | 96 | Very high | 4 Ų | 4 | 49 Ų | 49 | 3% | 0.033 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -19.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | T48 I49 Q52 N269 | T48-A326 HydrophobicContact CG2-CB 3.68Å; T48-A326 WeakPolarHBondContact CG2-O 3.24Å; I49-A326 HydrophobicContact CD1-CB 3.66Å; I49-A326 HydrophobicContact CG1-CB 4.24Å; Q52-A326 VanDerWaalsContact CG-O 3.24Å; Q52-A326 WeakPolarHBondContact CG-O 3.17Å; Q52-A326 PolarHBondContact NE2-O 3.2Å; N269-A326 WeakPolarHBondContact OD1-CB 3.38Å; N269-A326 PolarHBondContact OD1-N 3.26Å |
| 327 | T | 97 | Very high | 96.2 | Very high | 19 Ų | 19 | 46.8 Ų | 46.8 | 12% | 0.117 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 0.3 | 176 | 54.3 | 0 | 0 | 0 | 0 | 114.1 | T48 Q172 L175 R176 C325 | T48-T327 HydrophobicContact CG2-CG2 4.06Å; Q172-T327 PolarHBondContact NE2-O 3Å; L175-T327 HydrophobicContact CB-CG2 4.45Å; R176-T327 VanDerWaalsContact CZ-OG1 3.31Å; R176-T327 PolarHBondContact NH1-OG1 2.69Å; R176-T327 PolarHBondContact NH2-OG1 2.68Å; R176-T327 VanDerWaalsContact NH2-OG1 3.14Å; C325-T327 PolarHBondContact O-N 3Å; C325-T327 PolarHBondContact SG-OG1 3.45Å |
| 328 | D | 97.9 | Very high | 96.3 | Very high | 68 Ų | 68 | 47.4 Ų | 47.4 | 36% | 0.364 | 23% | 0.233 | S | C | . | . | trans | -105 | 104 | 172 | 176 | -7.4 | 0 | 0 | 0 | 109.1 | C325 K330 N331 V332 | C325-D328 HydrophobicContact CB-CB 3.98Å; C325-D328 PolarHBondContact O-N 2.99Å; D328-K330 VanDerWaalsContact C-N 3.28Å; D328-K330 PolarHBondContact O-N 2.94Å; D328-K330 WeakPolarHBondContact OD1-CB 3.37Å; D328-K330 PolarHBondContact OD1-N 2.83Å; D328-N331 HydrophobicContact CB-CB 3.92Å; D328-N331 PolarHBondContact O-N 3.46Å; D328-N331 PolarHBondContact OD1-N 3.45Å; D328-V332 WeakPolarHBondContact O-CG2 3.42Å; D328-V332 PolarHBondContact O-N 3.49Å | ||
| 329 | T | 97.6 | Very high | 96.4 | Very high | 43 Ų | 43 | 41.5 Ų | 41.5 | 26% | 0.264 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.1 | -35 | -177.5 | -57.2 | 0 | 0 | 0 | 0 | 112.7 | Q52 I55 I56 V332 Q333 | Q52-T329 PolarHBondContact NE2-OG1 3.49Å; Q52-T329 PolarHBondContact OE1-OG1 2.74Å; I55-T329 HydrophobicContact CG2-CG2 4Å; I56-T329 HydrophobicContact CD1-CG2 4.21Å; I56-T329 HydrophobicContact CG1-CG2 3.74Å; T329-V332 PolarHBondContact O-N 3.4Å; T329-Q333 VanDerWaalsContact O-CB 3.26Å; T329-Q333 WeakPolarHBondContact O-CB 3.46Å; T329-Q333 PolarHBondContact O-N 3.2Å |
| 330 | K | 97.2 | Very high | 96.2 | Very high | 169 Ų | 169 | 40.6 Ų | 40.6 | 74% | 0.735 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -68.6 | -42.7 | 178.3 | -67.1 | -177.6 | 179.9 | 178.8 | 0 | 110.9 | D328 Q333 F334 | D328-K330 VanDerWaalsContact C-N 3.28Å; D328-K330 PolarHBondContact O-N 2.94Å; D328-K330 WeakPolarHBondContact OD1-CB 3.37Å; D328-K330 PolarHBondContact OD1-N 2.83Å; K330-Q333 PolarHBondContact O-N 3.18Å; K330-F334 WeakPolarHBondContact O-CB 3.16Å; K330-F334 PolarHBondContact O-N 2.68Å |
| 331 | N | 97.5 | Very high | 96 | Very high | 19 Ų | 19 | 42 Ų | 42 | 10% | 0.102 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63 | -45.5 | 176.5 | 176.2 | -106.8 | 0 | 0 | 0 | 111.6 | T324 C325 D328 F334 V335 | T324-N331 VanDerWaalsContact CA-OD1 3.23Å; T324-N331 WeakPolarHBondContact CA-OD1 3.44Å; C325-N331 PolarHBondContact N-OD1 2.85Å; D328-N331 HydrophobicContact CB-CB 3.92Å; D328-N331 PolarHBondContact O-N 3.46Å; D328-N331 PolarHBondContact OD1-N 3.45Å; N331-F334 PolarHBondContact O-N 3.09Å; N331-V335 WeakPolarHBondContact O-CB 3.41Å; N331-V335 WeakPolarHBondContact O-CG2 3.43Å; N331-V335 PolarHBondContact O-N 3.25Å |
| 332 | V | 97.4 | Very high | 95.5 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.024 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.1 | -42.2 | 178.8 | 176.7 | 0 | 0 | 0 | 0 | 111.4 | I49 Q52 M53 I56 D328 T329 F334 V335 F336 | I49-V332 HydrophobicContact CD1-CG1 4.22Å; I49-V332 HydrophobicContact CD1-CG2 4Å; Q52-V332 HydrophobicContact CB-CB 4.38Å; Q52-V332 HydrophobicContact CB-CG1 3.77Å; Q52-V332 HydrophobicContact CG-CB 4.33Å; Q52-V332 HydrophobicContact CG-CG1 4.19Å; Q52-V332 HydrophobicContact CG-CG2 4.14Å; M53-V332 HydrophobicContact CE-CG1 3.8Å; I56-V332 HydrophobicContact CD1-CB 4.19Å; I56-V332 HydrophobicContact CD1-CG1 3.88Å; D328-V332 WeakPolarHBondContact O-CG2 3.42Å; D328-V332 PolarHBondContact O-N 3.49Å; T329-V332 PolarHBondContact O-N 3.4Å; V332-F334 PolarHBondContact O-N 3.33Å; V332-V335 PolarHBondContact O-N 2.85Å; V332-F336 WeakPolarHBondContact O-CB 3.49Å; V332-F336 PolarHBondContact O-N 2.72Å |
| 333 | Q | 96.3 | Very high | 95 | Very high | 108 Ų | 108 | 40.1 Ų | 40.1 | 51% | 0.505 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59.7 | -47.8 | 176.7 | -174.3 | 175 | 13.7 | 0 | 0 | 111.7 | I56 T329 K330 F336 D337 | I56-Q333 HydrophobicContact CD1-CB 3.98Å; I56-Q333 HydrophobicContact CG1-CB 4.47Å; I56-Q333 HydrophobicContact CG2-CB 4.26Å; I56-Q333 HydrophobicContact CG2-CG 3.9Å; T329-Q333 VanDerWaalsContact O-CB 3.26Å; T329-Q333 WeakPolarHBondContact O-CB 3.46Å; T329-Q333 PolarHBondContact O-N 3.2Å; K330-Q333 PolarHBondContact O-N 3.18Å; Q333-F336 PolarHBondContact O-N 3.24Å; Q333-D337 WeakPolarHBondContact O-CB 3.47Å; Q333-D337 PolarHBondContact O-N 3.3Å |
| 334 | F | 96.1 | Very high | 94.5 | Very high | 145 Ų | 145 | 39.8 Ų | 39.8 | 64% | 0.636 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -61.9 | -46.2 | 177.8 | 174.8 | -97.2 | 0 | 0 | 0 | 112.5 | K330 N331 V332 D337 A338 | K330-F334 WeakPolarHBondContact O-CB 3.16Å; K330-F334 PolarHBondContact O-N 2.68Å; N331-F334 PolarHBondContact O-N 3.09Å; V332-F334 PolarHBondContact O-N 3.33Å; F334-D337 PolarHBondContact O-N 3.49Å; F334-A338 PolarHBondContact O-N 3.33Å |
| 335 | V | 94.7 | Very high | 93.9 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.024 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68 | -40.8 | -179.3 | 170.8 | 0 | 0 | 0 | 0 | 111 | F267 H322 T324 N331 V332 D337 A338 V339 | F267-V335 HydrophobicContact CD1-CG1 4.29Å; F267-V335 HydrophobicContact CE1-CG1 3.42Å; F267-V335 VanDerWaalsContact CE1-CG1 3.42Å; F267-V335 HydrophobicContact CE2-CG1 4.47Å; F267-V335 HydrophobicContact CZ-CG1 3.55Å; H322-V335 HydrophobicContact CB-CG1 3.59Å; H322-V335 HydrophobicContact CB-CG2 4.22Å; T324-V335 HydrophobicContact CG2-CB 4.22Å; T324-V335 HydrophobicContact CG2-CG1 3.85Å; T324-V335 HydrophobicContact CG2-CG2 4.03Å; N331-V335 WeakPolarHBondContact O-CB 3.41Å; N331-V335 WeakPolarHBondContact O-CG2 3.43Å; N331-V335 PolarHBondContact O-N 3.25Å; V332-V335 PolarHBondContact O-N 2.85Å; V335-D337 VanDerWaalsContact C-N 3.33Å; V335-D337 PolarHBondContact O-N 2.88Å; V335-A338 PolarHBondContact O-N 3.23Å; V335-V339 HydrophobicContact CG1-CG2 4.35Å; V335-V339 VanDerWaalsContact O-CG2 3.29Å; V335-V339 WeakPolarHBondContact O-CG2 3.48Å; V335-V339 PolarHBondContact O-N 3.2Å |
| 336 | F | 94.2 | Very high | 93.1 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.009 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.3 | -33.9 | 179.7 | -163.8 | -94.8 | 0 | 0 | 0 | 112.5 | L36 M53 H57 F189 F191 F196 M198 I222 V332 Q333 V339 T340 | L36-F336 HydrophobicContact CD1-CE2 3.72Å; L36-F336 HydrophobicContact CD1-CZ 3.71Å; M53-F336 HydrophobicContact CE-CB 4.31Å; M53-F336 HydrophobicContact CE-CD1 4.45Å; M53-F336 HydrophobicContact CE-CD2 4Å; M53-F336 HydrophobicContact CE-CG 3.98Å; M53-F336 HydrophobicContact SD-CD1 4.03Å; M53-F336 HydrophobicContact SD-CD2 3.76Å; M53-F336 HydrophobicContact SD-CE1 3.96Å; M53-F336 HydrophobicContact SD-CE2 3.68Å; M53-F336 HydrophobicContact SD-CG 3.95Å; M53-F336 HydrophobicContact SD-CZ 3.79Å; H57-F336 AromaticContact NE2-CD1 3.89Å; F189-F336 AromaticContact CE2-CE1 3.7Å; F189-F336 HydrophobicContact CE2-CE1 3.7Å; F189-F336 AromaticContact CE2-CZ 3.72Å; F189-F336 HydrophobicContact CE2-CZ 3.72Å; F189-F336 HydrophobicContact CZ-CE1 4.02Å; F189-F336 HydrophobicContact CZ-CE2 4.33Å; F189-F336 AromaticContact CZ-CZ 3.55Å; F189-F336 HydrophobicContact CZ-CZ 3.55Å; F191-F336 HydrophobicContact CD1-CD1 4.08Å; F191-F336 AromaticContact CD1-CE1 3.92Å; F191-F336 HydrophobicContact CD1-CE1 3.92Å; F191-F336 HydrophobicContact CE1-CD1 4.16Å; F191-F336 HydrophobicContact CE1-CE1 4.43Å; F196-F336 HydrophobicContact CD1-CZ 4.18Å; F196-F336 HydrophobicContact CE1-CE1 4.42Å; F196-F336 AromaticContact CE1-CZ 4Å; F196-F336 HydrophobicContact CE1-CZ 4Å; F196-F336 HydrophobicContact CZ-CE1 4.29Å; F196-F336 HydrophobicContact CZ-CZ 4.32Å; M198-F336 HydrophobicContact CE-CE2 3.89Å; M198-F336 HydrophobicContact CE-CZ 4.37Å; I222-F336 HydrophobicContact CD1-CE2 4.34Å; V332-F336 WeakPolarHBondContact O-CB 3.49Å; V332-F336 PolarHBondContact O-N 2.72Å; Q333-F336 PolarHBondContact O-N 3.24Å; F336-V339 PolarHBondContact O-N 2.91Å; F336-T340 WeakPolarHBondContact O-CB 3.33Å; F336-T340 PolarHBondContact O-N 3.46Å; F336-T340 PolarHBondContact O-OG1 3.25Å |
| 337 | D | 95 | Very high | 92.1 | Very high | 61 Ų | 61 | 47.3 Ų | 47.3 | 33% | 0.326 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59 | -49.9 | 170.9 | -170 | 57.5 | 0 | 0 | 0 | 111.5 | F191 K192 Q333 F334 V335 V339 T340 D341 | F191-D337 HydrophobicContact CZ-CB 4.44Å; F191-D337 WeakPolarHBondContact CZ-OD1 3.24Å; K192-D337 WeakPolarHBondContact CE-OD1 3.46Å; K192-D337 IonicContact NZ-OD1 3.27Å; K192-D337 PolarHBondContact NZ-OD1 3.31Å; K192-D337 IonicContact NZ-OD2 3.69Å; Q333-D337 WeakPolarHBondContact O-CB 3.47Å; Q333-D337 PolarHBondContact O-N 3.3Å; F334-D337 PolarHBondContact O-N 3.49Å; V335-D337 VanDerWaalsContact C-N 3.33Å; V335-D337 PolarHBondContact O-N 2.88Å; D337-V339 PolarHBondContact O-N 3.11Å; D337-T340 WeakPolarHBondContact O-CB 3.31Å; D337-T340 PolarHBondContact O-N 3.21Å; D337-D341 PolarHBondContact O-N 3Å |
| 338 | A | 92.7 | Very high | 91.1 | Very high | 28 Ų | 28 | 50 Ų | 50 | 23% | 0.231 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.2 | -41.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F334 V335 T340 D341 V342 | F334-A338 PolarHBondContact O-N 3.33Å; V335-A338 PolarHBondContact O-N 3.23Å; A338-T340 VanDerWaalsContact C-N 3.32Å; A338-T340 PolarHBondContact O-N 2.9Å; A338-D341 PolarHBondContact O-N 3Å; A338-V342 WeakPolarHBondContact O-CG2 3.44Å; A338-V342 PolarHBondContact O-N 2.83Å |
| 339 | V | 91.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.3 | -41.3 | 175.2 | 167.9 | 0 | 0 | 0 | 0 | 111.2 | I265 F267 V335 F336 D337 D341 V342 I343 | I265-V339 HydrophobicContact CB-CG2 4.48Å; I265-V339 HydrophobicContact CD1-CG1 3.88Å; I265-V339 HydrophobicContact CG1-CG1 3.93Å; I265-V339 HydrophobicContact CG1-CG2 4.18Å; I265-V339 HydrophobicContact CG2-CG2 3.62Å; F267-V339 HydrophobicContact CE1-CG2 3.93Å; F267-V339 HydrophobicContact CZ-CG2 4.21Å; V335-V339 HydrophobicContact CG1-CG2 4.35Å; V335-V339 VanDerWaalsContact O-CG2 3.29Å; V335-V339 WeakPolarHBondContact O-CG2 3.48Å; V335-V339 PolarHBondContact O-N 3.2Å; F336-V339 PolarHBondContact O-N 2.91Å; D337-V339 PolarHBondContact O-N 3.11Å; V339-D341 VanDerWaalsContact C-N 3.34Å; V339-D341 PolarHBondContact O-N 3.14Å; V339-V342 PolarHBondContact O-N 3.13Å; V339-I343 HydrophobicContact CG1-CD1 3.85Å; V339-I343 WeakPolarHBondContact O-CG1 3.29Å; V339-I343 PolarHBondContact O-N 2.84Å |
| 340 | T | 92.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.3 | -40.4 | 178.9 | -60.3 | 0 | 0 | 0 | 0 | 111.3 | F191 K192 L194 F196 F336 D337 A338 V342 I343 I344 | F191-T340 HydrophobicContact CD1-CG2 3.86Å; F191-T340 WeakPolarHBondContact CD1-OG1 3.25Å; F191-T340 HydrophobicContact CE1-CG2 3.9Å; F191-T340 WeakPolarHBondContact CE1-OG1 3.15Å; K192-T340 HydrophobicContact CB-CG2 4.49Å; K192-T340 HydrophobicContact CD-CG2 4.03Å; L194-T340 HydrophobicContact CD1-CG2 4.13Å; F196-T340 HydrophobicContact CZ-CG2 3.94Å; F336-T340 WeakPolarHBondContact O-CB 3.33Å; F336-T340 PolarHBondContact O-N 3.46Å; F336-T340 PolarHBondContact O-OG1 3.25Å; D337-T340 WeakPolarHBondContact O-CB 3.31Å; D337-T340 PolarHBondContact O-N 3.21Å; A338-T340 VanDerWaalsContact C-N 3.32Å; A338-T340 PolarHBondContact O-N 2.9Å; T340-V342 VanDerWaalsContact C-N 3.31Å; T340-V342 PolarHBondContact O-N 2.99Å; T340-I343 PolarHBondContact O-N 2.95Å; T340-I344 HydrophobicContact CG2-CD1 3.81Å; T340-I344 HydrophobicContact CG2-CG1 4.34Å; T340-I344 WeakPolarHBondContact O-CG1 3.4Å; T340-I344 PolarHBondContact O-N 3.41Å |
| 341 | D | 90.6 | Very high | 87 | Confident | 76 Ų | 76 | 53.2 Ų | 53.2 | 41% | 0.406 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.6 | -37.2 | 176.8 | -71.4 | -12 | 0 | 0 | 0 | 112.3 | K192 D337 A338 V339 K345 | K192-D341 IonicContact NZ-OD1 2.75Å; K192-D341 PolarHBondContact NZ-OD1 2.89Å; K192-D341 IonicContact NZ-OD2 2.94Å; D337-D341 PolarHBondContact O-N 3Å; A338-D341 PolarHBondContact O-N 3Å; V339-D341 VanDerWaalsContact C-N 3.34Å; V339-D341 PolarHBondContact O-N 3.14Å; D341-K345 VanDerWaalsContact O-CB 3.28Å; D341-K345 WeakPolarHBondContact O-CB 3.48Å; D341-K345 PolarHBondContact O-N 3.38Å |
| 342 | V | 86.9 | Confident | 84.9 | Confident | 27 Ų | 27 | 55 Ų | 55 | 16% | 0.164 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64 | -44.9 | 173.3 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | Y320 A338 V339 T340 K345 N346 | Y320-V342 HydrophobicContact CD1-CG1 4.19Å; Y320-V342 HydrophobicContact CD1-CG2 4.13Å; Y320-V342 HydrophobicContact CD2-CG1 3.7Å; Y320-V342 HydrophobicContact CE1-CG1 3.97Å; Y320-V342 HydrophobicContact CE1-CG2 4.23Å; Y320-V342 HydrophobicContact CE2-CG1 3.41Å; Y320-V342 VanDerWaalsContact CE2-CG1 3.41Å; Y320-V342 HydrophobicContact CG-CG1 4.07Å; Y320-V342 HydrophobicContact CG-CG2 4.49Å; A338-V342 WeakPolarHBondContact O-CG2 3.44Å; A338-V342 PolarHBondContact O-N 2.83Å; V339-V342 PolarHBondContact O-N 3.13Å; T340-V342 VanDerWaalsContact C-N 3.31Å; T340-V342 PolarHBondContact O-N 2.99Å; V342-K345 PolarHBondContact O-N 2.96Å; V342-N346 PolarHBondContact O-N 3.16Å |
| 343 | I | 88 | Confident | 82.8 | Confident | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.3 | -47.3 | 178.4 | -67.7 | 165.2 | 0 | 0 | 0 | 110.5 | V34 L36 T219 A220 V339 T340 K345 N346 N347 | V34-I343 HydrophobicContact CG1-CD1 4.34Å; V34-I343 HydrophobicContact CG1-CG2 4.05Å; V34-I343 HydrophobicContact CG2-CG2 4.16Å; L36-I343 HydrophobicContact CD2-CD1 3.76Å; T219-I343 HydrophobicContact CG2-CG2 3.99Å; A220-I343 HydrophobicContact CB-CD1 4.02Å; A220-I343 HydrophobicContact CB-CG1 4.09Å; V339-I343 HydrophobicContact CG1-CD1 3.85Å; V339-I343 WeakPolarHBondContact O-CG1 3.29Å; V339-I343 PolarHBondContact O-N 2.84Å; T340-I343 PolarHBondContact O-N 2.95Å; I343-K345 VanDerWaalsContact C-N 3.33Å; I343-K345 PolarHBondContact O-N 3.26Å; I343-N346 PolarHBondContact O-N 3.44Å; I343-N347 PolarHBondContact O-N 2.9Å |
| 344 | I | 87.5 | Confident | 80.3 | Confident | 47 Ų | 47 | 66.7 Ų | 66.7 | 24% | 0.241 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.4 | -47 | 177.1 | -70.3 | 167.3 | 0 | 0 | 0 | 110.3 | K192 L194 T340 N346 N347 L348 | K192-I344 HydrophobicContact CB-CD1 4.44Å; K192-I344 HydrophobicContact CD-CD1 4.26Å; L194-I344 HydrophobicContact CD1-CD1 3.96Å; L194-I344 HydrophobicContact CD1-CG1 3.6Å; T340-I344 HydrophobicContact CG2-CD1 3.81Å; T340-I344 HydrophobicContact CG2-CG1 4.34Å; T340-I344 WeakPolarHBondContact O-CG1 3.4Å; T340-I344 PolarHBondContact O-N 3.41Å; I344-N346 VanDerWaalsContact C-N 3.31Å; I344-N346 PolarHBondContact O-N 3.44Å; I344-N347 PolarHBondContact O-N 2.76Å; I344-L348 HydrophobicContact CG2-CD1 3.86Å; I344-L348 HydrophobicContact CG2-CG 4.32Å; I344-L348 WeakPolarHBondContact O-CB 3.41Å; I344-L348 VanDerWaalsContact O-CG 3.29Å; I344-L348 WeakPolarHBondContact O-CG 3.28Å; I344-L348 PolarHBondContact O-N 2.66Å |
| 345 | K | 84.5 | Confident | 79.5 | Confident | 104 Ų | 104 | 62.8 Ų | 62.8 | 45% | 0.452 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.4 | -41 | 178.9 | -176.8 | -178.3 | 179.9 | -176.5 | 0 | 112.2 | D341 V342 I343 K349 | D341-K345 VanDerWaalsContact O-CB 3.28Å; D341-K345 WeakPolarHBondContact O-CB 3.48Å; D341-K345 PolarHBondContact O-N 3.38Å; V342-K345 PolarHBondContact O-N 2.96Å; I343-K345 VanDerWaalsContact C-N 3.33Å; I343-K345 PolarHBondContact O-N 3.26Å; K345-K349 WeakPolarHBondContact O-CG 3.29Å; K345-K349 PolarHBondContact O-N 3.39Å |
| 346 | N | 81.6 | Confident | 78.7 | Confident | 28 Ų | 28 | 65.9 Ų | 65.9 | 15% | 0.15 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -71.6 | -42.4 | 179.2 | -71.7 | -12.9 | 0 | 0 | 0 | 111.7 | S263 V342 I343 I344 L348 K349 E350 | S263-N346 PolarHBondContact OG-ND2 3.33Å; V342-N346 PolarHBondContact O-N 3.16Å; I343-N346 PolarHBondContact O-N 3.44Å; I344-N346 VanDerWaalsContact C-N 3.31Å; I344-N346 PolarHBondContact O-N 3.44Å; N346-L348 VanDerWaalsContact C-N 3.31Å; N346-L348 PolarHBondContact O-N 2.96Å; N346-K349 WeakPolarHBondContact O-CB 3.33Å; N346-K349 PolarHBondContact O-N 3.28Å; N346-E350 PolarHBondContact O-N 3.3Å |
| 347 | N | 77.7 | Confident | 77.8 | Confident | 39 Ų | 39 | 69.4 Ų | 69.4 | 21% | 0.209 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.2 | -39.7 | 174.4 | -72.4 | -5.8 | 0 | 0 | 0 | 112.2 | I343 I344 E350 C351 | I343-N347 PolarHBondContact O-N 2.9Å; I344-N347 PolarHBondContact O-N 2.76Å; N347-E350 PolarHBondContact O-N 3.47Å; N347-C351 PolarHBondContact O-N 2.7Å; N347-C351 PolarHBondContact O-SG 3.07Å |
| 348 | L | 75.5 | Confident | 76.8 | Confident | 75 Ų | 75 | 69.9 Ų | 69.9 | 39% | 0.393 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67 | -36.3 | 177.3 | -72.2 | 173.8 | 0 | 0 | 0 | 112.9 | I344 N346 C351 G352 L353 | I344-L348 HydrophobicContact CG2-CD1 3.86Å; I344-L348 HydrophobicContact CG2-CG 4.32Å; I344-L348 WeakPolarHBondContact O-CB 3.41Å; I344-L348 VanDerWaalsContact O-CG 3.29Å; I344-L348 WeakPolarHBondContact O-CG 3.28Å; I344-L348 PolarHBondContact O-N 2.66Å; N346-L348 VanDerWaalsContact C-N 3.31Å; N346-L348 PolarHBondContact O-N 2.96Å; L348-C351 PolarHBondContact O-N 2.94Å; L348-G352 PolarHBondContact O-N 2.9Å; L348-L353 HydrophobicContact CD2-CD1 4.1Å; L348-L353 PolarHBondContact O-N 2.91Å |
| 349 | K | 72.7 | Confident | 75.8 | Confident | 103 Ų | 103 | 72.6 Ų | 72.6 | 45% | 0.448 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 173.3 | -75.4 | 174.7 | 176.3 | -178.9 | 0 | 111.7 | K345 N346 C351 G352 | K345-K349 WeakPolarHBondContact O-CG 3.29Å; K345-K349 PolarHBondContact O-N 3.39Å; N346-K349 WeakPolarHBondContact O-CB 3.33Å; N346-K349 PolarHBondContact O-N 3.28Å; K349-C351 PolarHBondContact O-N 3.25Å; K349-G352 PolarHBondContact O-N 2.86Å |
| 350 | E | 69.6 | Low | 74.8 | Confident | 150 Ų | 150 | 77.4 Ų | 77.4 | 70% | 0.701 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -62.4 | -31.6 | 176.9 | -72 | -179.1 | -177.1 | 0 | 0 | 112.3 | N346 N347 G352 | N346-E350 PolarHBondContact O-N 3.3Å; N347-E350 PolarHBondContact O-N 3.47Å; E350-G352 VanDerWaalsContact C-N 3.3Å; E350-G352 PolarHBondContact O-N 3.5Å |
| 351 | C | 64.5 | Low | 73.5 | Confident | 95 Ų | 95 | 82.9 Ų | 82.9 | 64% | 0.642 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -2 | 174.7 | -69.9 | 0 | 0 | 0 | 0 | 114.6 | N347 L348 K349 L353 | N347-C351 PolarHBondContact O-N 2.7Å; N347-C351 PolarHBondContact O-SG 3.07Å; L348-C351 PolarHBondContact O-N 2.94Å; K349-C351 PolarHBondContact O-N 3.25Å; C351-L353 VanDerWaalsContact C-N 3.33Å; C351-L353 HydrophobicContact CB-CD1 4.32Å; C351-L353 HydrophobicContact CB-CG 4.4Å; C351-L353 PolarHBondContact O-N 2.92Å |
| 352 | G | 54.1 | Low | 72.2 | Confident | 58 Ų | 58 | 83.5 Ų | 83.5 | 60% | 0.598 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 23 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L348 K349 E350 | L348-G352 PolarHBondContact O-N 2.9Å; K349-G352 PolarHBondContact O-N 2.86Å; E350-G352 VanDerWaalsContact C-N 3.3Å; E350-G352 PolarHBondContact O-N 3.5Å |
| 353 | L | 53.3 | Low | 71 | Confident | 134 Ų | 134 | 88.2 Ų | 88.2 | 70% | 0.702 | 45% | 0.452 | S | S | * | . | trans | -94 | 12.3 | -179.8 | -68.2 | 172.6 | 0 | 0 | 0 | 113.5 | L348 C351 | L348-L353 HydrophobicContact CD2-CD1 4.1Å; L348-L353 PolarHBondContact O-N 2.91Å; C351-L353 VanDerWaalsContact C-N 3.33Å; C351-L353 HydrophobicContact CB-CD1 4.32Å; C351-L353 HydrophobicContact CB-CG 4.4Å; C351-L353 PolarHBondContact O-N 2.92Å | ||
| 354 | Y | 42.6 | Very low | 69.4 | Low | 223 Ų | 223 | 96 Ų | 96 | 88% | 0.875 | 49% | 0.492 | S | S | * | . | trans | -138.8 | 0 | 179.6 | -150.1 | -77.8 | 0 | 0 | 0 | 109.7 |
Retrieved 354 of 354 residues in 268.5 ms
(Link to these results)