| 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 | 46 | Very low | 57.4 | Low | 198 Ų | 198 | 123.6 Ų | 123.6 | 98% | 0.975 | 65% | 0.652 | S | S | * | * | 0 | 42.2 | 0 | -84.9 | -161 | 173.5 | 0 | 0 | 109.4 | |||||
| 2 | D | 45.5 | Very low | 59.7 | Low | 147 Ų | 147 | 119.8 Ų | 119.8 | 79% | 0.786 | 62% | 0.622 | S | S | * | * | trans | -106.9 | -5.7 | -143.3 | -47.7 | -45.9 | 0 | 0 | 0 | 114.3 | ||||
| 3 | K | 43.9 | Very low | 61.6 | Low | 205 Ų | 205 | 115.6 Ų | 115.6 | 89% | 0.891 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -92.7 | -15.8 | 177.2 | -68.9 | -174.2 | 176.9 | -178.4 | 0 | 114.1 | ||
| 4 | A | 50.3 | Low | 63.3 | Low | 83 Ų | 83 | 109 Ų | 109 | 69% | 0.686 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -87.4 | -16.6 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | S6 | A4-S6 VanDerWaalsContact C-N 3.29Å; A4-S6 PolarHBondContact O-N 3.31Å |
| 5 | V | 54.9 | Low | 64.9 | Low | 64 Ų | 64 | 104.2 Ų | 104.2 | 39% | 0.388 | 54% | 0.536 | S | S | . | . | G | 310 helix | trans | -72.6 | -24.4 | -178.5 | -178.1 | 0 | 0 | 0 | 0 | 111.7 | K7 M8 W13 | V5-K7 PolarHBondContact O-N 2.87Å; V5-M8 PolarHBondContact O-N 3.35Å; V5-W13 HydrophobicContact CG1-CG 4.39Å |
| 6 | S | 50.4 | Low | 66.5 | Low | 104 Ų | 104 | 101.3 Ų | 101.3 | 73% | 0.727 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | -66.3 | -11 | -170.5 | 151.3 | 0 | 0 | 0 | 0 | 116.2 | A4 | A4-S6 VanDerWaalsContact C-N 3.29Å; A4-S6 PolarHBondContact O-N 3.31Å |
| 7 | K | 56.6 | Low | 67.7 | Low | 200 Ų | 200 | 97.1 Ų | 97.1 | 87% | 0.87 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -125.5 | 2.3 | -179.5 | -68.9 | -170.1 | 178.7 | -175.8 | 0 | 114.8 | V5 | V5-K7 PolarHBondContact O-N 2.87Š|
| 8 | M | 60.8 | Low | 68.8 | Low | 42 Ų | 42 | 92.8 Ų | 92.8 | 21% | 0.207 | 48% | 0.478 | C | S | . | . | S | Bend | trans | -91.4 | 131.7 | -178.1 | -141.5 | 162.7 | 74.9 | 0 | 0 | 109.2 | V5 R12 W13 R16 | V5-M8 PolarHBondContact O-N 3.35Å; M8-R12 HydrophobicContact CE-CG 4.26Å; M8-R12 HydrophobicContact CG-CB 4.32Å; M8-R12 HydrophobicContact CG-CG 4.29Å; M8-R12 HydrophobicContact SD-CG 4.46Å; M8-W13 VanDerWaalsContact CE-CA 3.44Å; M8-W13 HydrophobicContact CE-CB 3.84Å; M8-W13 HydrophobicContact CE-CG 4.49Å; M8-R16 HydrophobicContact CE-CB 4.43Å |
| 9 | H | 70.3 | Confident | 69.9 | Low | 150 Ų | 150 | 88.7 Ų | 88.7 | 69% | 0.694 | 46% | 0.457 | S | S | * | . | trans | -47.6 | 133.5 | 174.4 | -79 | -73.5 | 0 | 0 | 0 | 109.5 | N11 R12 W13 | H9-N11 PolarHBondContact O-N 2.96Å; H9-R12 HydrophobicContact CB-CB 4.39Å; H9-R12 PolarHBondContact O-N 3.11Å; H9-W13 PolarHBondContact O-N 2.84Å | ||
| 10 | P | 73.7 | Confident | 70.9 | Confident | 47 Ų | 47 | 87.1 Ų | 87.1 | 31% | 0.305 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -53.4 | -37.7 | -172.7 | 19.3 | -31.9 | 0 | 0 | 0 | 111.6 | R12 W13 T14 V103 | P10-R12 PolarHBondContact O-N 2.97Å; P10-W13 PolarHBondContact O-N 2.91Å; P10-T14 PolarHBondContact O-N 3.39Å; P10-T14 PolarHBondContact O-OG1 3.42Å; P10-V103 HydrophobicContact CG-CG2 4.21Å |
| 11 | N | 79.2 | Confident | 71.6 | Confident | 120 Ų | 120 | 88 Ų | 88 | 64% | 0.642 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -66.3 | -35.9 | 178.7 | -58.7 | -6.8 | 0 | 0 | 0 | 113.5 | H9 W13 T14 L15 | H9-N11 PolarHBondContact O-N 2.96Å; N11-W13 VanDerWaalsContact C-N 3.34Å; N11-T14 WeakPolarHBondContact CA-OG1 3.36Å; N11-T14 PolarHBondContact O-OG1 3.43Å; N11-L15 PolarHBondContact O-N 2.99Å; N11-L15 VanDerWaalsContact O-N 3.1Å |
| 12 | R | 85.3 | Confident | 73.6 | Confident | 78 Ų | 78 | 82 Ų | 82 | 29% | 0.294 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -72.8 | -33.8 | 178.2 | -171.9 | 172.1 | 179.7 | -136.8 | -3.7 | 111 | M8 H9 P10 R16 V40 | M8-R12 HydrophobicContact CE-CG 4.26Å; M8-R12 HydrophobicContact CG-CB 4.32Å; M8-R12 HydrophobicContact CG-CG 4.29Å; M8-R12 HydrophobicContact SD-CG 4.46Å; H9-R12 HydrophobicContact CB-CB 4.39Å; H9-R12 PolarHBondContact O-N 3.11Å; P10-R12 PolarHBondContact O-N 2.97Å; R12-R16 WeakPolarHBondContact O-CB 3.43Å; R12-R16 PolarHBondContact O-N 3.4Å; R12-R16 VanDerWaalsContact O-N 3.07Å; R12-V40 HydrophobicContact CG-CG1 4.45Å |
| 13 | W | 83.3 | Confident | 75.8 | Confident | 65 Ų | 65 | 77 Ų | 77 | 25% | 0.246 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.8 | -45.7 | 174.2 | 178.3 | 84.5 | 0 | 0 | 0 | 111.8 | V5 M8 H9 P10 N11 L15 R16 V17 P98 | V5-W13 HydrophobicContact CG1-CG 4.39Å; M8-W13 VanDerWaalsContact CE-CA 3.44Å; M8-W13 HydrophobicContact CE-CB 3.84Å; M8-W13 HydrophobicContact CE-CG 4.49Å; H9-W13 PolarHBondContact O-N 2.84Å; P10-W13 PolarHBondContact O-N 2.91Å; N11-W13 VanDerWaalsContact C-N 3.34Å; W13-L15 VanDerWaalsContact C-N 3.34Å; W13-L15 PolarHBondContact O-N 2.87Å; W13-R16 PolarHBondContact O-N 3.04Å; W13-V17 HydrophobicContact CD2-CG2 4.09Å; W13-V17 HydrophobicContact CH2-CG2 4.34Å; W13-V17 HydrophobicContact CZ2-CG2 3.86Å; W13-V17 WeakPolarHBondContact O-CB 3.48Å; W13-V17 WeakPolarHBondContact O-CG2 3.5Å; W13-V17 PolarHBondContact O-N 3.39Å; W13-P98 HydrophobicContact CH2-CG 4.11Å; W13-P98 HydrophobicContact CZ3-CG 4.15Å |
| 14 | T | 85.4 | Confident | 77.9 | Confident | 23 Ų | 23 | 74.8 Ų | 74.8 | 14% | 0.141 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 177.3 | 53.1 | 0 | 0 | 0 | 0 | 111.7 | P10 N11 V17 A18 | P10-T14 PolarHBondContact O-N 3.39Å; P10-T14 PolarHBondContact O-OG1 3.42Å; N11-T14 WeakPolarHBondContact CA-OG1 3.36Å; N11-T14 PolarHBondContact O-OG1 3.43Å; T14-V17 PolarHBondContact O-N 3.27Å; T14-A18 WeakPolarHBondContact O-CB 3.49Å; T14-A18 PolarHBondContact O-N 3.27Å |
| 15 | L | 88.1 | Confident | 79.6 | Confident | 37 Ų | 37 | 74.1 Ų | 74.1 | 19% | 0.194 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63 | -44.1 | 176.8 | -171.1 | 67.1 | 0 | 0 | 0 | 112.3 | N11 W13 V17 A18 L19 V40 L43 E44 | N11-L15 PolarHBondContact O-N 2.99Å; N11-L15 VanDerWaalsContact O-N 3.1Å; W13-L15 VanDerWaalsContact C-N 3.34Å; W13-L15 PolarHBondContact O-N 2.87Å; L15-V17 VanDerWaalsContact C-N 3.29Å; L15-V17 PolarHBondContact O-N 3.33Å; L15-A18 PolarHBondContact O-N 3.13Å; L15-L19 WeakPolarHBondContact O-CB 3.36Å; L15-L19 PolarHBondContact O-N 2.95Å; L15-V40 HydrophobicContact CD2-CG1 4.1Å; L15-L43 HydrophobicContact CD1-CD2 3.77Å; L15-L43 HydrophobicContact CD1-CG 4.46Å; L15-L43 HydrophobicContact CD2-CD2 4.45Å; L15-L43 HydrophobicContact CG-CD2 4.23Å; L15-E44 HydrophobicContact CD2-CG 3.29Å |
| 16 | R | 89.5 | Confident | 81.2 | Confident | 57 Ų | 57 | 75.5 Ų | 75.5 | 22% | 0.215 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -58.6 | -43 | 175.1 | -177.2 | 177.8 | 174.1 | 152.1 | -2.6 | 111.5 | M8 R12 W13 L19 C20 L36 E37 V40 | M8-R16 HydrophobicContact CE-CB 4.43Å; R12-R16 WeakPolarHBondContact O-CB 3.43Å; R12-R16 PolarHBondContact O-N 3.4Å; R12-R16 VanDerWaalsContact O-N 3.07Å; W13-R16 PolarHBondContact O-N 3.04Å; R16-L19 PolarHBondContact O-N 3.45Å; R16-C20 PolarHBondContact O-N 3.24Å; R16-C20 PolarHBondContact O-SG 3.4Å; R16-L36 HydrophobicContact CG-CD2 3.93Å; R16-L36 HydrophobicContact CG-CG 4.49Å; R16-E37 IonicContact NH1-OE1 3.57Å; R16-V40 HydrophobicContact CB-CG2 4.18Å; R16-V40 HydrophobicContact CG-CG2 4.38Å |
| 17 | V | 87.8 | Confident | 83 | Confident | 31 Ų | 31 | 73.6 Ų | 73.6 | 19% | 0.188 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.3 | -40.7 | 178.2 | 165.9 | 0 | 0 | 0 | 0 | 111.7 | W13 T14 L15 C20 R21 P98 | W13-V17 HydrophobicContact CD2-CG2 4.09Å; W13-V17 HydrophobicContact CH2-CG2 4.34Å; W13-V17 HydrophobicContact CZ2-CG2 3.86Å; W13-V17 WeakPolarHBondContact O-CB 3.48Å; W13-V17 WeakPolarHBondContact O-CG2 3.5Å; W13-V17 PolarHBondContact O-N 3.39Å; T14-V17 PolarHBondContact O-N 3.27Å; L15-V17 VanDerWaalsContact C-N 3.29Å; L15-V17 PolarHBondContact O-N 3.33Å; V17-C20 PolarHBondContact O-N 3.31Å; V17-R21 PolarHBondContact O-N 3.48Å; V17-R21 VanDerWaalsContact O-N 3.1Å; V17-P98 HydrophobicContact CG1-CG 3.92Å |
| 18 | A | 87.4 | Confident | 84.7 | Confident | 19 Ų | 19 | 70.1 Ų | 70.1 | 16% | 0.157 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.6 | -46.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | T14 L15 C20 R21 F22 V97 | T14-A18 WeakPolarHBondContact O-CB 3.49Å; T14-A18 PolarHBondContact O-N 3.27Å; L15-A18 PolarHBondContact O-N 3.13Å; A18-C20 PolarHBondContact O-N 3.38Å; A18-R21 PolarHBondContact O-N 2.94Å; A18-F22 PolarHBondContact O-N 3.1Å; A18-V97 HydrophobicContact CB-CG2 3.64Å |
| 19 | L | 90.2 | Very high | 86.1 | Confident | 16 Ų | 16 | 75.8 Ų | 75.8 | 8% | 0.084 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.4 | -43 | 178 | -174.2 | 66.9 | 0 | 0 | 0 | 112 | L15 R16 R21 F22 L23 L36 L39 V40 L43 | L15-L19 WeakPolarHBondContact O-CB 3.36Å; L15-L19 PolarHBondContact O-N 2.95Å; R16-L19 PolarHBondContact O-N 3.45Å; L19-R21 VanDerWaalsContact C-N 3.32Å; L19-R21 PolarHBondContact O-N 2.97Å; L19-F22 WeakPolarHBondContact O-CB 3.36Å; L19-F22 PolarHBondContact O-N 3.01Å; L19-L23 HydrophobicContact CG-CD1 4.33Å; L19-L23 WeakPolarHBondContact O-CG 3.47Å; L19-L23 PolarHBondContact O-N 3.39Å; L19-L36 HydrophobicContact CD2-CD1 3.78Å; L19-L36 HydrophobicContact CG-CD1 4.21Å; L19-L39 HydrophobicContact CD1-CD2 3.94Å; L19-L39 HydrophobicContact CD1-CG 4.21Å; L19-L39 HydrophobicContact CD2-CB 4.06Å; L19-L39 HydrophobicContact CD2-CD2 3.87Å; L19-L39 HydrophobicContact CD2-CG 3.8Å; L19-L39 HydrophobicContact CG-CD2 4.23Å; L19-V40 HydrophobicContact CD2-CG2 3.55Å; L19-L43 HydrophobicContact CD1-CD2 4.34Å |
| 20 | C | 89.1 | Confident | 87.1 | Confident | 55 Ų | 55 | 73.7 Ų | 73.7 | 37% | 0.372 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.8 | -40.8 | 174.3 | -73.7 | 0 | 0 | 0 | 0 | 112.4 | R16 V17 A18 L23 K24 | R16-C20 PolarHBondContact O-N 3.24Å; R16-C20 PolarHBondContact O-SG 3.4Å; V17-C20 PolarHBondContact O-N 3.31Å; A18-C20 PolarHBondContact O-N 3.38Å; C20-L23 PolarHBondContact O-N 2.91Å; C20-K24 WeakPolarHBondContact O-CB 3.1Å; C20-K24 PolarHBondContact O-N 2.89Å |
| 21 | R | 86.7 | Confident | 87.8 | Confident | 107 Ų | 107 | 75 Ų | 75 | 40% | 0.404 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 175.7 | -76.5 | -162.2 | 178 | 84.5 | -2.8 | 111.9 | V17 A18 L19 K24 A25 V95 T96 | V17-R21 PolarHBondContact O-N 3.48Å; V17-R21 VanDerWaalsContact O-N 3.1Å; A18-R21 PolarHBondContact O-N 2.94Å; L19-R21 VanDerWaalsContact C-N 3.32Å; L19-R21 PolarHBondContact O-N 2.97Å; R21-K24 PolarHBondContact O-N 3.33Å; R21-A25 PolarHBondContact O-N 3.49Å; R21-V95 HydrophobicContact CB-CG1 3.64Å; R21-T96 PolarHBondContact NE-O 3.3Å; R21-T96 PolarHBondContact NH1-O 3.31Å |
| 22 | F | 87.8 | Confident | 88.4 | Confident | 71 Ų | 71 | 72.7 Ų | 72.7 | 31% | 0.311 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.2 | -47.4 | 176 | -178 | -99.2 | 0 | 0 | 0 | 111.7 | A18 L19 K24 A25 L26 L92 | A18-F22 PolarHBondContact O-N 3.1Å; L19-F22 WeakPolarHBondContact O-CB 3.36Å; L19-F22 PolarHBondContact O-N 3.01Å; F22-K24 VanDerWaalsContact C-N 3.31Å; F22-K24 PolarHBondContact O-N 2.93Å; F22-A25 WeakPolarHBondContact O-CB 3.36Å; F22-A25 PolarHBondContact O-N 3.32Å; F22-A25 VanDerWaalsContact O-N 3.16Å; F22-L26 HydrophobicContact CD1-CD1 4.02Å; F22-L26 HydrophobicContact CE1-CD1 3.54Å; F22-L26 HydrophobicContact CE1-CG 4.28Å; F22-L26 HydrophobicContact CZ-CD1 4.11Å; F22-L26 PolarHBondContact O-N 3.49Å; F22-L26 VanDerWaalsContact O-N 3.11Å; F22-L92 HydrophobicContact CD2-CD2 4.35Å; F22-L92 HydrophobicContact CE2-CD2 3.83Å |
| 23 | L | 90.2 | Very high | 88.7 | Confident | 42 Ų | 42 | 74.7 Ų | 74.7 | 22% | 0.22 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -62.5 | -38.1 | 176.2 | -68.7 | 173.3 | 0 | 0 | 0 | 112.2 | L19 C20 A25 L26 G27 F28 L36 L39 | L19-L23 HydrophobicContact CG-CD1 4.33Å; L19-L23 WeakPolarHBondContact O-CG 3.47Å; L19-L23 PolarHBondContact O-N 3.39Å; C20-L23 PolarHBondContact O-N 2.91Å; L23-A25 VanDerWaalsContact C-N 3.33Å; L23-A25 PolarHBondContact O-N 3.49Å; L23-L26 PolarHBondContact O-N 3.12Å; L23-G27 PolarHBondContact O-N 2.99Å; L23-F28 HydrophobicContact CB-CB 4.33Å; L23-F28 HydrophobicContact CB-CD2 4.34Å; L23-F28 HydrophobicContact CD2-CD2 4.1Å; L23-F28 HydrophobicContact CD2-CE2 4.29Å; L23-F28 WeakPolarHBondContact O-CB 3.26Å; L23-F28 WeakPolarHBondContact O-CD2 3.42Å; L23-F28 PolarHBondContact O-N 3.33Å; L23-F28 VanDerWaalsContact O-N 3.09Å; L23-L36 HydrophobicContact CD1-CD1 3.97Å; L23-L39 HydrophobicContact CD1-CD2 4.37Å |
| 24 | K | 89 | Confident | 89.1 | Confident | 160 Ų | 160 | 81.2 Ų | 81.2 | 70% | 0.696 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -64.3 | -37.4 | 175 | -168.6 | 169.1 | -176.4 | 170.4 | 0 | 112.2 | C20 R21 F22 L26 G27 | C20-K24 WeakPolarHBondContact O-CB 3.1Å; C20-K24 PolarHBondContact O-N 2.89Å; R21-K24 PolarHBondContact O-N 3.33Å; F22-K24 VanDerWaalsContact C-N 3.31Å; F22-K24 PolarHBondContact O-N 2.93Å; K24-L26 VanDerWaalsContact C-N 3.28Å; K24-L26 PolarHBondContact O-N 3.47Å; K24-G27 PolarHBondContact O-N 3.47Å; K24-G27 VanDerWaalsContact O-N 3.07Å |
| 25 | A | 85.9 | Confident | 89.5 | Confident | 68 Ų | 68 | 83.8 Ų | 83.8 | 56% | 0.562 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -67 | -28.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R21 F22 L23 G27 | R21-A25 PolarHBondContact O-N 3.49Å; F22-A25 WeakPolarHBondContact O-CB 3.36Å; F22-A25 PolarHBondContact O-N 3.32Å; F22-A25 VanDerWaalsContact O-N 3.16Å; L23-A25 VanDerWaalsContact C-N 3.33Å; L23-A25 PolarHBondContact O-N 3.49Å; A25-G27 PolarHBondContact O-N 3.45Å |
| 26 | L | 87.7 | Confident | 89.7 | Confident | 94 Ų | 94 | 83.2 Ų | 83.2 | 49% | 0.492 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -5.9 | 171.5 | -66.3 | 177 | 0 | 0 | 0 | 113.6 | F22 L23 K24 F28 | F22-L26 HydrophobicContact CD1-CD1 4.02Å; F22-L26 HydrophobicContact CE1-CD1 3.54Å; F22-L26 HydrophobicContact CE1-CG 4.28Å; F22-L26 HydrophobicContact CZ-CD1 4.11Å; F22-L26 PolarHBondContact O-N 3.49Å; F22-L26 VanDerWaalsContact O-N 3.11Å; L23-L26 PolarHBondContact O-N 3.12Å; K24-L26 VanDerWaalsContact C-N 3.28Å; K24-L26 PolarHBondContact O-N 3.47Å; L26-F28 HydrophobicContact CB-CD2 3.9Å; L26-F28 HydrophobicContact CB-CE2 4Å; L26-F28 HydrophobicContact CD1-CE2 4.38Å |
| 27 | G | 89.7 | Confident | 89.8 | Confident | 64 Ų | 64 | 83.4 Ų | 83.4 | 66% | 0.66 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.5 | 12.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | L23 K24 A25 | L23-G27 PolarHBondContact O-N 2.99Å; K24-G27 PolarHBondContact O-N 3.47Å; K24-G27 VanDerWaalsContact O-N 3.07Å; A25-G27 PolarHBondContact O-N 3.45Å |
| 28 | F | 91.4 | Very high | 90.2 | Very high | 126 Ų | 126 | 85.2 Ų | 85.2 | 55% | 0.553 | 48% | 0.48 | S | S | * | . | trans | -77.5 | 122.3 | 173.4 | -68.8 | -89.9 | 0 | 0 | 0 | 110.9 | L23 L26 | L23-F28 HydrophobicContact CB-CB 4.33Å; L23-F28 HydrophobicContact CB-CD2 4.34Å; L23-F28 HydrophobicContact CD2-CD2 4.1Å; L23-F28 HydrophobicContact CD2-CE2 4.29Å; L23-F28 WeakPolarHBondContact O-CB 3.26Å; L23-F28 WeakPolarHBondContact O-CD2 3.42Å; L23-F28 PolarHBondContact O-N 3.33Å; L23-F28 VanDerWaalsContact O-N 3.09Å; L26-F28 HydrophobicContact CB-CD2 3.9Å; L26-F28 HydrophobicContact CB-CE2 4Å; L26-F28 HydrophobicContact CD1-CE2 4.38Å | ||
| 29 | D | 90.6 | Very high | 90.6 | Very high | 162 Ų | 162 | 87.5 Ų | 87.5 | 87% | 0.866 | 49% | 0.489 | S | S | * | . | trans | -94.6 | -32.6 | 177.6 | -166.8 | 39.8 | 0 | 0 | 0 | 112.8 | ||||
| 30 | S | 90.9 | Very high | 90.7 | Very high | 106 Ų | 106 | 86.9 Ų | 86.9 | 74% | 0.741 | 49% | 0.486 | S | S | * | . | trans | -141 | 156.5 | 178.9 | 64.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 31 | G | 88.4 | Confident | 91 | Very high | 75 Ų | 75 | 89.4 Ų | 89.4 | 77% | 0.773 | 49% | 0.492 | S | S | * | . | trans | -163.7 | 158.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 32 | S | 92.7 | Very high | 91.4 | Very high | 70 Ų | 70 | 88.8 Ų | 88.8 | 49% | 0.49 | 50% | 0.496 | S | S | . | . | trans | -72.6 | 133 | 176.1 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | R34 S35 L36 | S32-R34 PolarHBondContact O-N 3.29Å; S32-R34 PolarHBondContact OG-N 3.37Å; S32-S35 PolarHBondContact O-N 3.5Å; S32-L36 PolarHBondContact O-N 3.49Å | ||
| 33 | Q | 90.5 | Very high | 91.7 | Very high | 120 Ų | 120 | 88 Ų | 88 | 56% | 0.561 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -57.1 | -39.2 | 176 | 176 | 175.7 | -29 | 0 | 0 | 111.9 | L36 E37 | Q33-L36 PolarHBondContact O-N 3.03Å; Q33-E37 WeakPolarHBondContact CG-OE1 3.19Å; Q33-E37 PolarHBondContact NE2-OE1 3.07Å; Q33-E37 WeakPolarHBondContact O-CG 3.22Å; Q33-E37 PolarHBondContact O-N 2.67Å |
| 34 | R | 93.2 | Very high | 91.9 | Very high | 202 Ų | 202 | 89 Ų | 89 | 76% | 0.762 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67 | -39.7 | -178.9 | -167.6 | 170.1 | -174.9 | 146.3 | 0.3 | 111.6 | S32 L36 E37 V38 | S32-R34 PolarHBondContact O-N 3.29Å; S32-R34 PolarHBondContact OG-N 3.37Å; R34-L36 VanDerWaalsContact C-N 3.35Å; R34-E37 PolarHBondContact O-N 3.17Å; R34-V38 WeakPolarHBondContact O-CG2 3.32Å; R34-V38 PolarHBondContact O-N 3.36Å; R34-V38 VanDerWaalsContact O-N 3.07Å |
| 35 | S | 93.1 | Very high | 92.2 | Very high | 77 Ų | 77 | 84.7 Ų | 84.7 | 54% | 0.538 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.9 | -40.2 | 175.6 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | S32 V38 L39 | S32-S35 PolarHBondContact O-N 3.5Å; S35-V38 PolarHBondContact O-N 3.14Å; S35-L39 WeakPolarHBondContact O-CB 3.42Å; S35-L39 PolarHBondContact O-N 3.49Å |
| 36 | L | 92.5 | Very high | 92.6 | Very high | 26 Ų | 26 | 84.7 Ų | 84.7 | 14% | 0.136 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 175.2 | -175.3 | 72.8 | 0 | 0 | 0 | 111.4 | R16 L19 L23 S32 Q33 R34 L39 V40 | R16-L36 HydrophobicContact CG-CD2 3.93Å; R16-L36 HydrophobicContact CG-CG 4.49Å; L19-L36 HydrophobicContact CD2-CD1 3.78Å; L19-L36 HydrophobicContact CG-CD1 4.21Å; L23-L36 HydrophobicContact CD1-CD1 3.97Å; S32-L36 PolarHBondContact O-N 3.49Å; Q33-L36 PolarHBondContact O-N 3.03Å; R34-L36 VanDerWaalsContact C-N 3.35Å; L36-L39 PolarHBondContact O-N 3.3Å; L36-V40 VanDerWaalsContact O-CG2 3.3Å; L36-V40 WeakPolarHBondContact O-CG2 3.4Å; L36-V40 PolarHBondContact O-N 2.85Å |
| 37 | E | 91.8 | Very high | 92.9 | Very high | 61 Ų | 61 | 84.7 Ų | 84.7 | 29% | 0.285 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 178.5 | -75 | 174.2 | -165.4 | 0 | 0 | 112.7 | R16 Q33 R34 V40 Q41 | R16-E37 IonicContact NH1-OE1 3.57Å; Q33-E37 WeakPolarHBondContact CG-OE1 3.19Å; Q33-E37 PolarHBondContact NE2-OE1 3.07Å; Q33-E37 WeakPolarHBondContact O-CG 3.22Å; Q33-E37 PolarHBondContact O-N 2.67Å; R34-E37 PolarHBondContact O-N 3.17Å; E37-V40 PolarHBondContact O-N 2.88Å; E37-Q41 WeakPolarHBondContact O-CG 3.34Å; E37-Q41 PolarHBondContact O-N 2.72Å; E37-Q41 VanDerWaalsContact O-N 3.08Å |
| 38 | V | 95.8 | Very high | 93.2 | Very high | 69 Ų | 69 | 85.6 Ų | 85.6 | 42% | 0.418 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.7 | -42.6 | 174.3 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | R34 S35 V40 Q41 I42 | R34-V38 WeakPolarHBondContact O-CG2 3.32Å; R34-V38 PolarHBondContact O-N 3.36Å; R34-V38 VanDerWaalsContact O-N 3.07Å; S35-V38 PolarHBondContact O-N 3.14Å; V38-V40 VanDerWaalsContact C-N 3.33Å; V38-V40 PolarHBondContact O-N 3.32Å; V38-Q41 WeakPolarHBondContact O-CB 3.24Å; V38-Q41 PolarHBondContact O-N 3.13Å; V38-Q41 VanDerWaalsContact O-N 3.15Å; V38-I42 HydrophobicContact CG1-CD1 3.85Å; V38-I42 HydrophobicContact CG1-CG1 4.37Å; V38-I42 WeakPolarHBondContact O-CG1 3.36Å; V38-I42 PolarHBondContact O-N 2.89Å |
| 39 | L | 94.6 | Very high | 93.4 | Very high | 67 Ų | 67 | 84.6 Ų | 84.6 | 35% | 0.351 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.1 | -37.4 | 178.5 | -173.1 | 61.2 | 0 | 0 | 0 | 112.1 | L19 L23 S35 L36 I42 L43 | L19-L39 HydrophobicContact CD1-CD2 3.94Å; L19-L39 HydrophobicContact CD1-CG 4.21Å; L19-L39 HydrophobicContact CD2-CB 4.06Å; L19-L39 HydrophobicContact CD2-CD2 3.87Å; L19-L39 HydrophobicContact CD2-CG 3.8Å; L19-L39 HydrophobicContact CG-CD2 4.23Å; L23-L39 HydrophobicContact CD1-CD2 4.37Å; S35-L39 WeakPolarHBondContact O-CB 3.42Å; S35-L39 PolarHBondContact O-N 3.49Å; L36-L39 PolarHBondContact O-N 3.3Å; L39-I42 PolarHBondContact O-N 3.06Å; L39-L43 WeakPolarHBondContact O-CB 3.42Å; L39-L43 PolarHBondContact O-N 3.08Å |
| 40 | V | 93.7 | Very high | 93.7 | Very high | 2 Ų | 2 | 77.8 Ų | 77.8 | 1% | 0.012 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -59.8 | -46.4 | 171.1 | 169.8 | 0 | 0 | 0 | 0 | 110.5 | R12 L15 R16 L19 L36 E37 V38 I42 L43 E44 | R12-V40 HydrophobicContact CG-CG1 4.45Å; L15-V40 HydrophobicContact CD2-CG1 4.1Å; R16-V40 HydrophobicContact CB-CG2 4.18Å; R16-V40 HydrophobicContact CG-CG2 4.38Å; L19-V40 HydrophobicContact CD2-CG2 3.55Å; L36-V40 VanDerWaalsContact O-CG2 3.3Å; L36-V40 WeakPolarHBondContact O-CG2 3.4Å; L36-V40 PolarHBondContact O-N 2.85Å; E37-V40 PolarHBondContact O-N 2.88Å; V38-V40 VanDerWaalsContact C-N 3.33Å; V38-V40 PolarHBondContact O-N 3.32Å; V40-I42 PolarHBondContact O-N 3.48Å; V40-L43 PolarHBondContact O-N 2.92Å; V40-E44 HydrophobicContact CG1-CG 4.44Å; V40-E44 WeakPolarHBondContact O-CG 3.45Å; V40-E44 PolarHBondContact O-N 3.32Å |
| 41 | Q | 94.2 | Very high | 93.9 | Very high | 108 Ų | 108 | 75.2 Ų | 75.2 | 51% | 0.505 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.8 | -42 | 177.5 | -74.3 | 178 | -8.4 | 0 | 0 | 112.6 | E37 V38 L43 E44 S45 | E37-Q41 WeakPolarHBondContact O-CG 3.34Å; E37-Q41 PolarHBondContact O-N 2.72Å; E37-Q41 VanDerWaalsContact O-N 3.08Å; V38-Q41 WeakPolarHBondContact O-CB 3.24Å; V38-Q41 PolarHBondContact O-N 3.13Å; V38-Q41 VanDerWaalsContact O-N 3.15Å; Q41-L43 VanDerWaalsContact C-N 3.33Å; Q41-L43 PolarHBondContact O-N 3.39Å; Q41-E44 PolarHBondContact O-N 3.39Å; Q41-S45 WeakPolarHBondContact O-CB 3.42Å; Q41-S45 PolarHBondContact O-N 2.97Å; Q41-S45 PolarHBondContact O-OG 2.84Å |
| 42 | I | 96 | Very high | 94.2 | Very high | 95 Ų | 95 | 76.1 Ų | 76.1 | 49% | 0.487 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 176.2 | -68.7 | 167.7 | 0 | 0 | 0 | 109.8 | V38 L39 V40 S45 F46 | V38-I42 HydrophobicContact CG1-CD1 3.85Å; V38-I42 HydrophobicContact CG1-CG1 4.37Å; V38-I42 WeakPolarHBondContact O-CG1 3.36Å; V38-I42 PolarHBondContact O-N 2.89Å; L39-I42 PolarHBondContact O-N 3.06Å; V40-I42 PolarHBondContact O-N 3.48Å; I42-S45 WeakPolarHBondContact CA-OG 3.4Å; I42-S45 PolarHBondContact O-N 3.47Å; I42-S45 PolarHBondContact O-OG 3.25Å; I42-F46 WeakPolarHBondContact O-CB 3.24Å; I42-F46 PolarHBondContact O-N 3.14Å |
| 43 | L | 94.1 | Very high | 94.3 | Very high | 54 Ų | 54 | 73.7 Ų | 73.7 | 28% | 0.283 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 178.4 | -176.6 | 61.8 | 0 | 0 | 0 | 112.1 | L15 L19 L39 V40 Q41 F46 I47 | L15-L43 HydrophobicContact CD1-CD2 3.77Å; L15-L43 HydrophobicContact CD1-CG 4.46Å; L15-L43 HydrophobicContact CD2-CD2 4.45Å; L15-L43 HydrophobicContact CG-CD2 4.23Å; L19-L43 HydrophobicContact CD1-CD2 4.34Å; L39-L43 WeakPolarHBondContact O-CB 3.42Å; L39-L43 PolarHBondContact O-N 3.08Å; V40-L43 PolarHBondContact O-N 2.92Å; Q41-L43 VanDerWaalsContact C-N 3.33Å; Q41-L43 PolarHBondContact O-N 3.39Å; L43-F46 PolarHBondContact O-N 2.77Å; L43-I47 HydrophobicContact CD1-CD1 4.35Å; L43-I47 HydrophobicContact CG-CD1 4.14Å; L43-I47 VanDerWaalsContact O-CG1 3.3Å; L43-I47 WeakPolarHBondContact O-CG1 3.35Å; L43-I47 PolarHBondContact O-N 3.09Å |
| 44 | E | 93.7 | Very high | 94.6 | Very high | 64 Ų | 64 | 68.1 Ų | 68.1 | 30% | 0.299 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.2 | -47.6 | 173.8 | -73.3 | 175.4 | 168.6 | 0 | 0 | 110.9 | L15 V40 Q41 F46 I47 V48 | L15-E44 HydrophobicContact CD2-CG 3.29Å; V40-E44 HydrophobicContact CG1-CG 4.44Å; V40-E44 WeakPolarHBondContact O-CG 3.45Å; V40-E44 PolarHBondContact O-N 3.32Å; Q41-E44 PolarHBondContact O-N 3.39Å; E44-F46 VanDerWaalsContact C-N 3.33Å; E44-F46 PolarHBondContact O-N 3.35Å; E44-I47 PolarHBondContact O-N 2.95Å; E44-V48 WeakPolarHBondContact O-CG2 3.34Å; E44-V48 PolarHBondContact O-N 3.07Å; E44-V48 VanDerWaalsContact O-N 3.11Å |
| 45 | S | 95.3 | Very high | 94.7 | Very high | 68 Ų | 68 | 65.1 Ų | 65.1 | 48% | 0.476 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.6 | -39.5 | 177.8 | 68.4 | 0 | 0 | 0 | 0 | 112.2 | Q41 I42 V48 E49 | Q41-S45 WeakPolarHBondContact O-CB 3.42Å; Q41-S45 PolarHBondContact O-N 2.97Å; Q41-S45 PolarHBondContact O-OG 2.84Å; I42-S45 WeakPolarHBondContact CA-OG 3.4Å; I42-S45 PolarHBondContact O-N 3.47Å; I42-S45 PolarHBondContact O-OG 3.25Å; S45-V48 PolarHBondContact O-N 3.31Å; S45-E49 WeakPolarHBondContact O-CB 3.38Å; S45-E49 PolarHBondContact O-N 3.45Å |
| 46 | F | 95.2 | Very high | 94.7 | Very high | 69 Ų | 69 | 63.8 Ų | 63.8 | 30% | 0.303 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65 | -43.7 | 178.5 | 177.9 | -106.3 | 0 | 0 | 0 | 111.9 | I42 L43 E44 V48 E49 V50 L75 F80 | I42-F46 WeakPolarHBondContact O-CB 3.24Å; I42-F46 PolarHBondContact O-N 3.14Å; L43-F46 PolarHBondContact O-N 2.77Å; E44-F46 VanDerWaalsContact C-N 3.33Å; E44-F46 PolarHBondContact O-N 3.35Å; F46-V48 VanDerWaalsContact C-N 3.32Å; F46-V48 PolarHBondContact O-N 3.47Å; F46-E49 PolarHBondContact O-N 3.18Å; F46-V50 HydrophobicContact CD1-CG2 4.44Å; F46-V50 HydrophobicContact CD2-CG2 4.25Å; F46-V50 HydrophobicContact CE1-CG2 4.01Å; F46-V50 HydrophobicContact CE2-CG2 3.78Å; F46-V50 HydrophobicContact CZ-CG2 3.66Å; F46-V50 VanDerWaalsContact O-CG2 3.32Å; F46-V50 WeakPolarHBondContact O-CG2 3.48Å; F46-V50 PolarHBondContact O-N 2.85Å; F46-L75 HydrophobicContact CZ-CD2 4.29Å; F46-F80 HydrophobicContact CD2-CE2 4.46Å; F46-F80 HydrophobicContact CE2-CD2 4.16Å; F46-F80 AromaticContact CE2-CE2 3.35Å; F46-F80 HydrophobicContact CE2-CE2 3.35Å; F46-F80 AromaticContact CE2-CZ 3.83Å; F46-F80 HydrophobicContact CE2-CZ 3.83Å; F46-F80 HydrophobicContact CZ-CD2 4.11Å; F46-F80 HydrophobicContact CZ-CE1 4.46Å; F46-F80 AromaticContact CZ-CE2 3.48Å; F46-F80 HydrophobicContact CZ-CE2 3.48Å; F46-F80 VanDerWaalsContact CZ-CE2 3.48Å; F46-F80 AromaticContact CZ-CZ 3.68Å; F46-F80 HydrophobicContact CZ-CZ 3.68Å |
| 47 | I | 94.3 | Very high | 94.7 | Very high | 93 Ų | 93 | 63 Ų | 63 | 48% | 0.477 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.7 | -43 | 176.7 | -67.5 | 165.2 | 0 | 0 | 0 | 110.6 | L43 E44 A51 | L43-I47 HydrophobicContact CD1-CD1 4.35Å; L43-I47 HydrophobicContact CG-CD1 4.14Å; L43-I47 VanDerWaalsContact O-CG1 3.3Å; L43-I47 WeakPolarHBondContact O-CG1 3.35Å; L43-I47 PolarHBondContact O-N 3.09Å; E44-I47 PolarHBondContact O-N 2.95Å; I47-A51 WeakPolarHBondContact O-CB 3.37Å; I47-A51 PolarHBondContact O-N 3.45Å |
| 48 | V | 95.8 | Very high | 94.9 | Very high | 83 Ų | 83 | 60.2 Ų | 60.2 | 50% | 0.503 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65 | -43.8 | 177.5 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | E44 S45 F46 A51 L52 | E44-V48 WeakPolarHBondContact O-CG2 3.34Å; E44-V48 PolarHBondContact O-N 3.07Å; E44-V48 VanDerWaalsContact O-N 3.11Å; S45-V48 PolarHBondContact O-N 3.31Å; F46-V48 VanDerWaalsContact C-N 3.32Å; F46-V48 PolarHBondContact O-N 3.47Å; V48-A51 PolarHBondContact O-N 2.88Å; V48-L52 HydrophobicContact CG1-CD1 3.91Å; V48-L52 HydrophobicContact CG1-CG 4.28Å; V48-L52 WeakPolarHBondContact O-CG 3.46Å; V48-L52 PolarHBondContact O-N 3.49Å |
| 49 | E | 95.5 | Very high | 94.8 | Very high | 105 Ų | 105 | 61.9 Ų | 61.9 | 49% | 0.491 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.1 | -42.3 | -179.7 | -159.3 | 65 | -152.7 | 0 | 0 | 111.7 | S45 F46 A51 L52 G53 F78 | S45-E49 WeakPolarHBondContact O-CB 3.38Å; S45-E49 PolarHBondContact O-N 3.45Å; F46-E49 PolarHBondContact O-N 3.18Å; E49-A51 PolarHBondContact O-N 3.47Å; E49-L52 PolarHBondContact O-N 2.93Å; E49-G53 PolarHBondContact O-N 2.91Å; E49-F78 HydrophobicContact CB-CZ 4.4Å; E49-F78 HydrophobicContact CG-CE1 4.01Å; E49-F78 HydrophobicContact CG-CE2 4.46Å; E49-F78 HydrophobicContact CG-CZ 3.66Å |
| 50 | V | 95.8 | Very high | 94.7 | Very high | 20 Ų | 20 | 65.9 Ų | 65.9 | 12% | 0.121 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.8 | -40.8 | 173.1 | 174.6 | 0 | 0 | 0 | 0 | 111.6 | F46 S54 V71 L75 F78 | F46-V50 HydrophobicContact CD1-CG2 4.44Å; F46-V50 HydrophobicContact CD2-CG2 4.25Å; F46-V50 HydrophobicContact CE1-CG2 4.01Å; F46-V50 HydrophobicContact CE2-CG2 3.78Å; F46-V50 HydrophobicContact CZ-CG2 3.66Å; F46-V50 VanDerWaalsContact O-CG2 3.32Å; F46-V50 WeakPolarHBondContact O-CG2 3.48Å; F46-V50 PolarHBondContact O-N 2.85Å; V50-S54 VanDerWaalsContact O-CB 3.24Å; V50-S54 WeakPolarHBondContact O-CB 3.47Å; V50-S54 PolarHBondContact O-N 3.39Å; V50-S54 PolarHBondContact O-OG 3.15Å; V50-V71 HydrophobicContact CG1-CG1 4.38Å; V50-L75 HydrophobicContact CG1-CD2 4.47Å; V50-L75 HydrophobicContact CG2-CD2 4.22Å; V50-F78 HydrophobicContact CB-CE2 4.46Å; V50-F78 HydrophobicContact CG2-CD2 4.02Å; V50-F78 HydrophobicContact CG2-CE2 3.85Å |
| 51 | A | 95.2 | Very high | 94.6 | Very high | 51 Ų | 51 | 69.2 Ų | 69.2 | 42% | 0.421 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.2 | -42.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I47 V48 E49 S54 R55 | I47-A51 WeakPolarHBondContact O-CB 3.37Å; I47-A51 PolarHBondContact O-N 3.45Å; V48-A51 PolarHBondContact O-N 2.88Å; E49-A51 PolarHBondContact O-N 3.47Å; A51-S54 PolarHBondContact O-N 3.11Å; A51-R55 WeakPolarHBondContact O-CB 3.45Å; A51-R55 PolarHBondContact O-N 2.97Å |
| 52 | L | 95.7 | Very high | 94.4 | Very high | 95 Ų | 95 | 71 Ų | 71 | 50% | 0.497 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.6 | -43.8 | 177.1 | -71.2 | 176.2 | 0 | 0 | 0 | 111.8 | V48 E49 R55 A56 | V48-L52 HydrophobicContact CG1-CD1 3.91Å; V48-L52 HydrophobicContact CG1-CG 4.28Å; V48-L52 WeakPolarHBondContact O-CG 3.46Å; V48-L52 PolarHBondContact O-N 3.49Å; E49-L52 PolarHBondContact O-N 2.93Å; L52-R55 PolarHBondContact O-N 3.4Å; L52-A56 PolarHBondContact O-N 2.96Å |
| 53 | G | 95 | Very high | 94.2 | Very high | 19 Ų | 19 | 70.5 Ų | 70.5 | 20% | 0.196 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.4 | -46.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E49 R55 A56 A57 T74 | E49-G53 PolarHBondContact O-N 2.91Å; G53-R55 VanDerWaalsContact C-N 3.29Å; G53-R55 PolarHBondContact O-N 3.31Å; G53-A56 PolarHBondContact O-N 3.3Å; G53-A56 VanDerWaalsContact O-N 3.14Å; G53-A57 PolarHBondContact O-N 3.3Å; G53-T74 VanDerWaalsContact O-CG2 3.22Å; G53-T74 WeakPolarHBondContact O-CG2 3.38Å |
| 54 | S | 95.3 | Very high | 93.9 | Very high | 3 Ų | 3 | 74.3 Ų | 74.3 | 2% | 0.021 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62.2 | -38.5 | 178.7 | -60.1 | 0 | 0 | 0 | 0 | 111.9 | V50 A51 A58 L66 T74 | V50-S54 VanDerWaalsContact O-CB 3.24Å; V50-S54 WeakPolarHBondContact O-CB 3.47Å; V50-S54 PolarHBondContact O-N 3.39Å; V50-S54 PolarHBondContact O-OG 3.15Å; A51-S54 PolarHBondContact O-N 3.11Å; S54-A58 WeakPolarHBondContact O-CB 3.43Å; S54-A58 PolarHBondContact O-N 3.16Å; S54-L66 VanDerWaalsContact CB-CD2 3.49Å; S54-T74 PolarHBondContact OG-OG1 3.08Å; S54-T74 VanDerWaalsContact OG-OG1 3.1Å |
| 55 | R | 95.3 | Very high | 93.9 | Very high | 139 Ų | 139 | 78.1 Ų | 78.1 | 53% | 0.525 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65 | -44.7 | 173.5 | 179.7 | 179.6 | 168.6 | -171.8 | -6.7 | 111.7 | A51 L52 G53 A57 A58 E59 | A51-R55 WeakPolarHBondContact O-CB 3.45Å; A51-R55 PolarHBondContact O-N 2.97Å; L52-R55 PolarHBondContact O-N 3.4Å; G53-R55 VanDerWaalsContact C-N 3.29Å; G53-R55 PolarHBondContact O-N 3.31Å; R55-A57 PolarHBondContact O-N 3.49Å; R55-A58 PolarHBondContact O-N 3.49Å; R55-E59 HydrophobicContact CG-CG 4.36Å; R55-E59 IonicContact CZ-OE1 3.3Å; R55-E59 VanDerWaalsContact CZ-OE1 3.3Å; R55-E59 IonicContact NE-OE1 2.75Å; R55-E59 PolarHBondContact NE-OE1 2.86Å; R55-E59 IonicContact NH2-OE1 2.95Å; R55-E59 PolarHBondContact NH2-OE1 3.32Å; R55-E59 WeakPolarHBondContact O-CB 3.35Å; R55-E59 WeakPolarHBondContact O-CG 3.37Å; R55-E59 PolarHBondContact O-N 2.84Å |
| 56 | A | 94.1 | Very high | 93.7 | Very high | 48 Ų | 48 | 79.5 Ų | 79.5 | 40% | 0.397 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L52 G53 A58 E59 L60 | L52-A56 PolarHBondContact O-N 2.96Å; G53-A56 PolarHBondContact O-N 3.3Å; G53-A56 VanDerWaalsContact O-N 3.14Å; A56-A58 PolarHBondContact O-N 2.73Å; A56-E59 PolarHBondContact O-N 2.88Å; A56-L60 WeakPolarHBondContact O-CG 3.3Å; A56-L60 PolarHBondContact O-N 3.33Å |
| 57 | A | 93.1 | Very high | 93.7 | Very high | 9 Ų | 9 | 78.3 Ų | 78.3 | 7% | 0.074 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | G53 R55 L60 C61 D70 L73 T74 | G53-A57 PolarHBondContact O-N 3.3Å; R55-A57 PolarHBondContact O-N 3.49Å; A57-L60 PolarHBondContact O-N 3.11Å; A57-C61 PolarHBondContact O-N 3.29Å; A57-C61 PolarHBondContact O-SG 3.37Å; A57-D70 HydrophobicContact CB-CB 4.2Å; A57-L73 HydrophobicContact CB-CD2 4.26Å; A57-T74 HydrophobicContact CB-CG2 4.01Å |
| 58 | A | 94.5 | Very high | 93.6 | Very high | 3 Ų | 3 | 78.5 Ų | 78.5 | 3% | 0.025 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -65.5 | -42 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S54 R55 A56 L60 C61 N62 H63 | S54-A58 WeakPolarHBondContact O-CB 3.43Å; S54-A58 PolarHBondContact O-N 3.16Å; R55-A58 PolarHBondContact O-N 3.49Å; A56-A58 PolarHBondContact O-N 2.73Å; A58-L60 VanDerWaalsContact C-N 3.35Å; A58-L60 PolarHBondContact O-N 3.45Å; A58-C61 CarbonylContact O-C 3.5Å; A58-C61 PolarHBondContact O-N 3.43Å; A58-C61 VanDerWaalsContact O-N 3.13Å; A58-N62 PolarHBondContact O-N 3Å; A58-N62 VanDerWaalsContact O-N 3.14Å; A58-H63 HydrophobicContact CB-CB 4.06Å; A58-H63 PolarHBondContact O-N 2.94Å |
| 59 | E | 93.8 | Very high | 93.4 | Very high | 105 Ų | 105 | 78.3 Ų | 78.3 | 49% | 0.491 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.4 | -38.5 | 177.4 | -75.6 | 177.5 | -178.8 | 0 | 0 | 111.7 | R55 A56 C61 N62 | R55-E59 HydrophobicContact CG-CG 4.36Å; R55-E59 IonicContact CZ-OE1 3.3Å; R55-E59 VanDerWaalsContact CZ-OE1 3.3Å; R55-E59 IonicContact NE-OE1 2.75Å; R55-E59 PolarHBondContact NE-OE1 2.86Å; R55-E59 IonicContact NH2-OE1 2.95Å; R55-E59 PolarHBondContact NH2-OE1 3.32Å; R55-E59 WeakPolarHBondContact O-CB 3.35Å; R55-E59 WeakPolarHBondContact O-CG 3.37Å; R55-E59 PolarHBondContact O-N 2.84Å; A56-E59 PolarHBondContact O-N 2.88Å; E59-C61 VanDerWaalsContact C-N 3.25Å; E59-C61 PolarHBondContact O-N 3.29Å; E59-N62 PolarHBondContact O-N 3.45Å; E59-N62 VanDerWaalsContact O-N 3.07Å |
| 60 | L | 92.2 | Very high | 93.3 | Very high | 150 Ų | 150 | 73.6 Ų | 73.6 | 79% | 0.785 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -62.3 | -32.4 | 173.5 | -71.6 | 172.5 | 0 | 0 | 0 | 112.8 | A56 A57 A58 N62 | A56-L60 WeakPolarHBondContact O-CG 3.3Å; A56-L60 PolarHBondContact O-N 3.33Å; A57-L60 PolarHBondContact O-N 3.11Å; A58-L60 VanDerWaalsContact C-N 3.35Å; A58-L60 PolarHBondContact O-N 3.45Å; L60-N62 VanDerWaalsContact C-N 3.33Å |
| 61 | C | 91.5 | Very high | 93.2 | Very high | 72 Ų | 72 | 75 Ų | 75 | 49% | 0.486 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 1.1 | 176.1 | -65.3 | 0 | 0 | 0 | 0 | 113.5 | A57 A58 E59 H63 | A57-C61 PolarHBondContact O-N 3.29Å; A57-C61 PolarHBondContact O-SG 3.37Å; A58-C61 CarbonylContact O-C 3.5Å; A58-C61 PolarHBondContact O-N 3.43Å; A58-C61 VanDerWaalsContact O-N 3.13Å; E59-C61 VanDerWaalsContact C-N 3.25Å; E59-C61 PolarHBondContact O-N 3.29Å; C61-H63 PolarHBondContact O-N 3.32Å |
| 62 | N | 90.7 | Very high | 93.2 | Very high | 147 Ų | 147 | 76.8 Ų | 76.8 | 79% | 0.786 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 27.7 | -169.7 | -61 | -64.9 | 0 | 0 | 0 | 114.2 | A58 E59 L60 | A58-N62 PolarHBondContact O-N 3Å; A58-N62 VanDerWaalsContact O-N 3.14Å; E59-N62 PolarHBondContact O-N 3.45Å; E59-N62 VanDerWaalsContact O-N 3.07Å; L60-N62 VanDerWaalsContact C-N 3.33Å |
| 63 | H | 91 | Very high | 93 | Very high | 83 Ų | 83 | 76.5 Ų | 76.5 | 38% | 0.384 | 42% | 0.424 | S | S | . | . | trans | -81 | 135.8 | 172.7 | -70.7 | 174.8 | 0 | 0 | 0 | 111 | A58 C61 D70 | A58-H63 HydrophobicContact CB-CB 4.06Å; A58-H63 PolarHBondContact O-N 2.94Å; C61-H63 PolarHBondContact O-N 3.32Å; H63-D70 IonicContact ND1-OD2 3.74Å | ||
| 64 | V | 89.7 | Confident | 93 | Very high | 134 Ų | 134 | 75.8 Ų | 75.8 | 81% | 0.812 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -86.4 | -24.8 | 171.3 | -176.3 | 0 | 0 | 0 | 0 | 111.4 | ||
| 65 | M | 91.9 | Very high | 92.9 | Very high | 145 Ų | 145 | 77 Ų | 77 | 71% | 0.714 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -116.4 | 134.1 | -178.1 | -63.7 | -67.9 | 163.2 | 0 | 0 | 109.2 | T67 | M65-T67 PolarHBondContact O-N 3.37Š|
| 66 | L | 92.9 | Very high | 92.8 | Very high | 96 Ų | 96 | 72.8 Ų | 72.8 | 50% | 0.503 | 42% | 0.417 | S | S | . | . | trans | -65.1 | 126.2 | 175.9 | -81.9 | 69.1 | 0 | 0 | 0 | 109.7 | S54 | S54-L66 VanDerWaalsContact CB-CD2 3.49Š| ||
| 67 | T | 93.3 | Very high | 92.7 | Very high | 44 Ų | 44 | 76.3 Ų | 76.3 | 27% | 0.27 | 43% | 0.429 | S | S | . | . | trans | -93.8 | 155.2 | 171.7 | 68.4 | 0 | 0 | 0 | 0 | 110.1 | M65 S69 D70 V71 | M65-T67 PolarHBondContact O-N 3.37Å; T67-S69 PolarHBondContact O-N 3.02Å; T67-S69 VanDerWaalsContact O-N 3.17Å; T67-D70 WeakPolarHBondContact CB-OD2 3.37Å; T67-D70 PolarHBondContact N-OD2 3.29Å; T67-D70 WeakPolarHBondContact O-CB 3.32Å; T67-D70 PolarHBondContact O-N 2.95Å; T67-D70 PolarHBondContact OG1-N 2.75Å; T67-D70 PolarHBondContact OG1-OD1 3.43Å; T67-D70 PolarHBondContact OG1-OD2 2.88Å; T67-V71 PolarHBondContact O-N 3.07Å | ||
| 68 | P | 92.5 | Very high | 92.7 | Very high | 98 Ų | 98 | 79.9 Ų | 79.9 | 64% | 0.636 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -59.6 | -27.5 | 176.4 | 24.3 | -34.4 | 0 | 0 | 0 | 112.3 | D70 V71 I72 | P68-D70 VanDerWaalsContact C-N 3.33Å; P68-D70 PolarHBondContact O-N 3.2Å; P68-V71 PolarHBondContact O-N 3.22Å; P68-I72 VanDerWaalsContact O-CG1 3.24Å; P68-I72 WeakPolarHBondContact O-CG1 3.41Å; P68-I72 PolarHBondContact O-N 3.35Å |
| 69 | S | 92.2 | Very high | 92.6 | Very high | 79 Ų | 79 | 82.6 Ų | 82.6 | 55% | 0.552 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -61.9 | -38.6 | 174.1 | -55.3 | 0 | 0 | 0 | 0 | 112.4 | T67 V71 I72 L73 | T67-S69 PolarHBondContact O-N 3.02Å; T67-S69 VanDerWaalsContact O-N 3.17Å; S69-V71 VanDerWaalsContact C-N 3.32Å; S69-V71 PolarHBondContact O-N 3.43Å; S69-I72 PolarHBondContact O-N 3Å; S69-L73 WeakPolarHBondContact O-CB 3.35Å; S69-L73 PolarHBondContact O-N 3.32Å |
| 70 | D | 94.5 | Very high | 92.3 | Very high | 6 Ų | 6 | 82.5 Ų | 82.5 | 3% | 0.032 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -65.3 | -37.9 | 178.1 | -54.1 | -41.3 | 0 | 0 | 0 | 110.9 | A57 H63 T67 P68 T74 | A57-D70 HydrophobicContact CB-CB 4.2Å; H63-D70 IonicContact ND1-OD2 3.74Å; T67-D70 WeakPolarHBondContact CB-OD2 3.37Å; T67-D70 PolarHBondContact N-OD2 3.29Å; T67-D70 WeakPolarHBondContact O-CB 3.32Å; T67-D70 PolarHBondContact O-N 2.95Å; T67-D70 PolarHBondContact OG1-N 2.75Å; T67-D70 PolarHBondContact OG1-OD1 3.43Å; T67-D70 PolarHBondContact OG1-OD2 2.88Å; P68-D70 VanDerWaalsContact C-N 3.33Å; P68-D70 PolarHBondContact O-N 3.2Å; D70-T74 WeakPolarHBondContact O-CG2 3.4Å; D70-T74 PolarHBondContact O-N 2.94Å; D70-T74 VanDerWaalsContact O-N 3.12Å; D70-T74 PolarHBondContact O-OG1 3.47Å |
| 71 | V | 93.5 | Very high | 92.1 | Very high | 49 Ų | 49 | 79.3 Ų | 79.3 | 30% | 0.297 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -71.3 | -41.3 | 175.9 | -174.3 | 0 | 0 | 0 | 0 | 111.3 | V50 T67 P68 S69 L73 T74 L75 | V50-V71 HydrophobicContact CG1-CG1 4.38Å; T67-V71 PolarHBondContact O-N 3.07Å; P68-V71 PolarHBondContact O-N 3.22Å; S69-V71 VanDerWaalsContact C-N 3.32Å; S69-V71 PolarHBondContact O-N 3.43Å; V71-L73 VanDerWaalsContact C-N 3.34Å; V71-T74 WeakPolarHBondContact CA-OG1 3.47Å; V71-T74 PolarHBondContact O-N 3.07Å; V71-T74 PolarHBondContact O-OG1 2.91Å; V71-L75 HydrophobicContact CG1-CD1 4.1Å; V71-L75 HydrophobicContact CG1-CG 4.41Å; V71-L75 WeakPolarHBondContact O-CB 3.3Å; V71-L75 VanDerWaalsContact O-CG 3.26Å; V71-L75 WeakPolarHBondContact O-CG 3.37Å; V71-L75 PolarHBondContact O-N 3.31Å |
| 72 | I | 93.6 | Very high | 91.9 | Very high | 88 Ų | 88 | 77.8 Ų | 77.8 | 45% | 0.451 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 176.9 | -71.6 | 165.7 | 0 | 0 | 0 | 110.6 | P68 S69 T74 L75 A76 V82 | P68-I72 VanDerWaalsContact O-CG1 3.24Å; P68-I72 WeakPolarHBondContact O-CG1 3.41Å; P68-I72 PolarHBondContact O-N 3.35Å; S69-I72 PolarHBondContact O-N 3Å; I72-T74 VanDerWaalsContact C-N 3.35Å; I72-L75 PolarHBondContact O-N 3.23Å; I72-A76 WeakPolarHBondContact O-CB 3.35Å; I72-A76 PolarHBondContact O-N 2.96Å; I72-V82 HydrophobicContact CG1-CG1 4.19Å; I72-V82 HydrophobicContact CG2-CG1 4.17Å; I72-V82 HydrophobicContact CG2-CG2 4.29Å |
| 73 | L | 92.3 | Very high | 91.7 | Very high | 89 Ų | 89 | 74.5 Ų | 74.5 | 47% | 0.466 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.1 | -45.4 | 177.9 | -177.5 | 62.7 | 0 | 0 | 0 | 110.9 | A57 S69 V71 A76 D77 | A57-L73 HydrophobicContact CB-CD2 4.26Å; S69-L73 WeakPolarHBondContact O-CB 3.35Å; S69-L73 PolarHBondContact O-N 3.32Å; V71-L73 VanDerWaalsContact C-N 3.34Å; L73-A76 CarbonylContact O-C 3.59Å; L73-A76 WeakPolarHBondContact O-CA 3.49Å; L73-A76 WeakPolarHBondContact O-CB 3.49Å; L73-A76 PolarHBondContact O-N 3.42Å; L73-A76 VanDerWaalsContact O-N 3.13Å; L73-D77 PolarHBondContact O-N 3.1Å |
| 74 | T | 94.3 | Very high | 91.4 | Very high | 5 Ų | 5 | 73.1 Ų | 73.1 | 3% | 0.031 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -72.3 | -34.3 | -177.9 | 53.2 | 0 | 0 | 0 | 0 | 113.1 | G53 S54 A57 D70 V71 I72 A76 D77 F78 | G53-T74 VanDerWaalsContact O-CG2 3.22Å; G53-T74 WeakPolarHBondContact O-CG2 3.38Å; S54-T74 PolarHBondContact OG-OG1 3.08Å; S54-T74 VanDerWaalsContact OG-OG1 3.1Å; A57-T74 HydrophobicContact CB-CG2 4.01Å; D70-T74 WeakPolarHBondContact O-CG2 3.4Å; D70-T74 PolarHBondContact O-N 2.94Å; D70-T74 VanDerWaalsContact O-N 3.12Å; D70-T74 PolarHBondContact O-OG1 3.47Å; V71-T74 WeakPolarHBondContact CA-OG1 3.47Å; V71-T74 PolarHBondContact O-N 3.07Å; V71-T74 PolarHBondContact O-OG1 2.91Å; I72-T74 VanDerWaalsContact C-N 3.35Å; T74-A76 VanDerWaalsContact C-N 3.31Å; T74-D77 PolarHBondContact O-N 3.19Å; T74-F78 WeakPolarHBondContact O-CD2 3.44Å; T74-F78 WeakPolarHBondContact O-CG 3.44Å; T74-F78 PolarHBondContact O-N 3.48Å |
| 75 | L | 94 | Very high | 91 | Very high | 27 Ų | 27 | 70.5 Ų | 70.5 | 14% | 0.141 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -62.6 | -40 | 168.4 | -71.9 | 173.1 | 0 | 0 | 0 | 111.2 | F46 V50 V71 I72 F78 G79 F80 L85 | F46-L75 HydrophobicContact CZ-CD2 4.29Å; V50-L75 HydrophobicContact CG1-CD2 4.47Å; V50-L75 HydrophobicContact CG2-CD2 4.22Å; V71-L75 HydrophobicContact CG1-CD1 4.1Å; V71-L75 HydrophobicContact CG1-CG 4.41Å; V71-L75 WeakPolarHBondContact O-CB 3.3Å; V71-L75 VanDerWaalsContact O-CG 3.26Å; V71-L75 WeakPolarHBondContact O-CG 3.37Å; V71-L75 PolarHBondContact O-N 3.31Å; I72-L75 PolarHBondContact O-N 3.23Å; L75-F78 PolarHBondContact O-N 2.99Å; L75-G79 PolarHBondContact O-N 2.89Å; L75-F80 HydrophobicContact CB-CB 4.23Å; L75-F80 HydrophobicContact CD2-CB 4.4Å; L75-F80 HydrophobicContact CD2-CG 4.46Å; L75-F80 WeakPolarHBondContact O-CB 3.44Å; L75-F80 PolarHBondContact O-N 3.39Å; L75-L85 HydrophobicContact CD1-CD1 4.39Å |
| 76 | A | 92.8 | Very high | 90.5 | Very high | 51 Ų | 51 | 71.3 Ų | 71.3 | 42% | 0.421 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.6 | -40.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | I72 L73 T74 F78 G79 V82 | I72-A76 WeakPolarHBondContact O-CB 3.35Å; I72-A76 PolarHBondContact O-N 2.96Å; L73-A76 CarbonylContact O-C 3.59Å; L73-A76 WeakPolarHBondContact O-CA 3.49Å; L73-A76 WeakPolarHBondContact O-CB 3.49Å; L73-A76 PolarHBondContact O-N 3.42Å; L73-A76 VanDerWaalsContact O-N 3.13Å; T74-A76 VanDerWaalsContact C-N 3.31Å; A76-F78 VanDerWaalsContact C-N 3.33Å; A76-F78 PolarHBondContact O-N 3.37Å; A76-G79 WeakPolarHBondContact O-CA 3.41Å; A76-G79 PolarHBondContact O-N 3.25Å; A76-V82 HydrophobicContact CB-CG2 4.39Å |
| 77 | D | 92.9 | Very high | 89.9 | Confident | 122 Ų | 122 | 71.7 Ų | 71.7 | 65% | 0.652 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -64.1 | -35.4 | 176.6 | -71.8 | -23.2 | 0 | 0 | 0 | 112.5 | L73 T74 G79 | L73-D77 PolarHBondContact O-N 3.1Å; T74-D77 PolarHBondContact O-N 3.19Å; D77-G79 PolarHBondContact O-N 3.46Å |
| 78 | F | 92.5 | Very high | 89 | Confident | 84 Ų | 84 | 73 Ų | 73 | 37% | 0.368 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -0.4 | 171.8 | -64.6 | -44.9 | 0 | 0 | 0 | 114.2 | E49 V50 T74 L75 A76 F80 | E49-F78 HydrophobicContact CB-CZ 4.4Å; E49-F78 HydrophobicContact CG-CE1 4.01Å; E49-F78 HydrophobicContact CG-CE2 4.46Å; E49-F78 HydrophobicContact CG-CZ 3.66Å; V50-F78 HydrophobicContact CB-CE2 4.46Å; V50-F78 HydrophobicContact CG2-CD2 4.02Å; V50-F78 HydrophobicContact CG2-CE2 3.85Å; T74-F78 WeakPolarHBondContact O-CD2 3.44Å; T74-F78 WeakPolarHBondContact O-CG 3.44Å; T74-F78 PolarHBondContact O-N 3.48Å; L75-F78 PolarHBondContact O-N 2.99Å; A76-F78 VanDerWaalsContact C-N 3.33Å; A76-F78 PolarHBondContact O-N 3.37Å; F78-F80 HydrophobicContact CB-CD2 4.04Å |
| 79 | G | 91.9 | Very high | 87.9 | Confident | 61 Ų | 61 | 75 Ų | 75 | 63% | 0.629 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.9 | 19.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L75 A76 D77 | L75-G79 PolarHBondContact O-N 2.89Å; A76-G79 WeakPolarHBondContact O-CA 3.41Å; A76-G79 PolarHBondContact O-N 3.25Å; D77-G79 PolarHBondContact O-N 3.46Å |
| 80 | F | 88.3 | Confident | 86.9 | Confident | 103 Ų | 103 | 79.7 Ų | 79.7 | 45% | 0.452 | 45% | 0.451 | S | S | . | . | trans | -79.1 | 126.4 | 174 | -86.5 | -90.5 | 0 | 0 | 0 | 111.1 | F46 L75 F78 V82 | F46-F80 HydrophobicContact CD2-CE2 4.46Å; F46-F80 HydrophobicContact CE2-CD2 4.16Å; F46-F80 AromaticContact CE2-CE2 3.35Å; F46-F80 HydrophobicContact CE2-CE2 3.35Å; F46-F80 AromaticContact CE2-CZ 3.83Å; F46-F80 HydrophobicContact CE2-CZ 3.83Å; F46-F80 HydrophobicContact CZ-CD2 4.11Å; F46-F80 HydrophobicContact CZ-CE1 4.46Å; F46-F80 AromaticContact CZ-CE2 3.48Å; F46-F80 HydrophobicContact CZ-CE2 3.48Å; F46-F80 VanDerWaalsContact CZ-CE2 3.48Å; F46-F80 AromaticContact CZ-CZ 3.68Å; F46-F80 HydrophobicContact CZ-CZ 3.68Å; L75-F80 HydrophobicContact CB-CB 4.23Å; L75-F80 HydrophobicContact CD2-CB 4.4Å; L75-F80 HydrophobicContact CD2-CG 4.46Å; L75-F80 WeakPolarHBondContact O-CB 3.44Å; L75-F80 PolarHBondContact O-N 3.39Å; F78-F80 HydrophobicContact CB-CD2 4.04Å; F80-V82 PolarHBondContact O-N 2.92Å | ||
| 81 | P | 88.3 | Confident | 85.5 | Confident | 82 Ų | 82 | 85.9 Ų | 85.9 | 53% | 0.532 | 48% | 0.479 | S | S | . | . | trans | -72.6 | 93 | 176.6 | 27.5 | -31.7 | 0 | 0 | 0 | 110.3 | A83 S84 | P81-A83 PolarHBondContact O-N 2.78Å; P81-A83 VanDerWaalsContact O-N 3.11Å; P81-S84 WeakPolarHBondContact CG-OG 3.33Å; P81-S84 PolarHBondContact O-N 3.13Å; P81-S84 PolarHBondContact O-OG 3.45Å | ||
| 82 | V | 86.9 | Confident | 84.1 | Confident | 40 Ų | 40 | 85.6 Ų | 85.6 | 24% | 0.242 | 48% | 0.476 | C | S | . | . | G | 310 helix | trans | -59.4 | -29.1 | -176.6 | -141.9 | 0 | 0 | 0 | 0 | 112.5 | I72 A76 F80 S84 L85 | I72-V82 HydrophobicContact CG1-CG1 4.19Å; I72-V82 HydrophobicContact CG2-CG1 4.17Å; I72-V82 HydrophobicContact CG2-CG2 4.29Å; A76-V82 HydrophobicContact CB-CG2 4.39Å; F80-V82 PolarHBondContact O-N 2.92Å; V82-S84 VanDerWaalsContact C-N 3.3Å; V82-S84 PolarHBondContact O-N 3.29Å; V82-L85 HydrophobicContact CG1-CD1 3.86Å; V82-L85 WeakPolarHBondContact O-CB 3.49Å; V82-L85 PolarHBondContact O-N 3.44Å |
| 83 | A | 86.3 | Confident | 82.8 | Confident | 78 Ų | 78 | 88 Ų | 88 | 65% | 0.645 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -63.7 | -31.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | P81 L85 L86 | P81-A83 PolarHBondContact O-N 2.78Å; P81-A83 VanDerWaalsContact O-N 3.11Å; A83-L85 VanDerWaalsContact C-N 3.26Å; A83-L85 PolarHBondContact O-N 2.89Å; A83-L86 PolarHBondContact O-N 3.46Å |
| 84 | S | 84.4 | Confident | 81.5 | Confident | 54 Ų | 54 | 90.9 Ų | 90.9 | 38% | 0.378 | 49% | 0.494 | S | S | . | . | G | 310 helix | trans | -73.7 | -18.9 | 180 | 68.8 | 0 | 0 | 0 | 0 | 112.9 | P81 V82 L86 S87 M88 | P81-S84 WeakPolarHBondContact CG-OG 3.33Å; P81-S84 PolarHBondContact O-N 3.13Å; P81-S84 PolarHBondContact O-OG 3.45Å; V82-S84 VanDerWaalsContact C-N 3.3Å; V82-S84 PolarHBondContact O-N 3.29Å; S84-L86 PolarHBondContact O-N 3.3Å; S84-S87 PolarHBondContact O-N 3.1Å; S84-M88 PolarHBondContact O-N 3.07Å |
| 85 | L | 82 | Confident | 80.1 | Confident | 80 Ų | 80 | 92.5 Ų | 92.5 | 42% | 0.419 | 50% | 0.504 | S | S | . | . | G | 310 helix | trans | -58.9 | -33.4 | 175.9 | -65.9 | 178.3 | 0 | 0 | 0 | 111.4 | L75 V82 A83 S87 M88 | L75-L85 HydrophobicContact CD1-CD1 4.39Å; V82-L85 HydrophobicContact CG1-CD1 3.86Å; V82-L85 WeakPolarHBondContact O-CB 3.49Å; V82-L85 PolarHBondContact O-N 3.44Å; A83-L85 VanDerWaalsContact C-N 3.26Å; A83-L85 PolarHBondContact O-N 2.89Å; L85-S87 VanDerWaalsContact C-N 3.29Å; L85-S87 PolarHBondContact O-N 3.05Å; L85-M88 HydrophobicContact CD2-SD 3.75Å; L85-M88 PolarHBondContact O-N 2.98Å |
| 86 | L | 81.6 | Confident | 78.7 | Confident | 161 Ų | 161 | 96.4 Ų | 96.4 | 84% | 0.843 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -69.3 | -25.9 | 176.3 | -66.1 | 170.3 | 0 | 0 | 0 | 113 | A83 S84 | A83-L86 PolarHBondContact O-N 3.46Å; S84-L86 PolarHBondContact O-N 3.3Å |
| 87 | S | 80.5 | Confident | 77.5 | Confident | 104 Ų | 104 | 96.8 Ų | 96.8 | 73% | 0.727 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -90.7 | -7 | 178.9 | -54 | 0 | 0 | 0 | 0 | 113.4 | S84 L85 K89 | S84-S87 PolarHBondContact O-N 3.1Å; L85-S87 VanDerWaalsContact C-N 3.29Å; L85-S87 PolarHBondContact O-N 3.05Å; S87-K89 PolarHBondContact O-N 3.25Å |
| 88 | M | 74.3 | Confident | 76.2 | Confident | 71 Ų | 71 | 93 Ų | 93 | 35% | 0.35 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -62.2 | 133.4 | 179.3 | -73.2 | -172.5 | 65.5 | 0 | 0 | 110.7 | S84 L85 K90 L92 F93 | S84-M88 PolarHBondContact O-N 3.07Å; L85-M88 HydrophobicContact CD2-SD 3.75Å; L85-M88 PolarHBondContact O-N 2.98Å; M88-K90 PolarHBondContact O-N 2.88Å; M88-L92 HydrophobicContact CE-CD1 3.99Å; M88-F93 HydrophobicContact CB-CE2 4.07Å; M88-F93 HydrophobicContact CB-CZ 3.97Å |
| 89 | K | 69.3 | Low | 75 | Confident | 142 Ų | 142 | 97.3 Ų | 97.3 | 62% | 0.617 | 53% | 0.529 | S | S | * | . | trans | -56 | 130.6 | -177.9 | -71.7 | -172.4 | 173.2 | -169.6 | 0 | 110.2 | S87 E91 L92 | S87-K89 PolarHBondContact O-N 3.25Å; K89-E91 HydrophobicContact CB-CB 4.44Å; K89-E91 PolarHBondContact O-N 3.43Å; K89-L92 HydrophobicContact CB-CD1 4.27Å; K89-L92 HydrophobicContact CB-CG 4.24Å; K89-L92 WeakPolarHBondContact O-CB 3.42Å; K89-L92 PolarHBondContact O-N 3.42Å | ||
| 90 | K | 71.7 | Confident | 73.6 | Confident | 177 Ų | 177 | 98.2 Ų | 98.2 | 77% | 0.77 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -52.8 | -31.7 | 175.6 | -70.3 | -172.5 | 178.8 | -180 | 0 | 112.9 | M88 L92 F93 | M88-K90 PolarHBondContact O-N 2.88Å; K90-L92 PolarHBondContact O-N 3.49Å; K90-F93 PolarHBondContact O-N 3.47Å; K90-F93 VanDerWaalsContact O-N 3.08Å |
| 91 | E | 63.8 | Low | 72.5 | Confident | 135 Ų | 135 | 98.1 Ų | 98.1 | 63% | 0.631 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -58 | -32 | 176 | -63.4 | 170.6 | 174.6 | 0 | 0 | 113.1 | K89 F93 Q94 | K89-E91 HydrophobicContact CB-CB 4.44Å; K89-E91 PolarHBondContact O-N 3.43Å; E91-F93 VanDerWaalsContact C-N 3.29Å; E91-F93 PolarHBondContact O-N 3.47Å; E91-Q94 PolarHBondContact O-N 2.83Å |
| 92 | L | 65.2 | Low | 71.2 | Confident | 43 Ų | 43 | 99.6 Ų | 99.6 | 23% | 0.225 | 54% | 0.537 | C | S | . | . | G | 310 helix | trans | -72.7 | -24 | 178.3 | -63.6 | 170 | 0 | 0 | 0 | 112.3 | F22 M88 K89 K90 Q94 | F22-L92 HydrophobicContact CD2-CD2 4.35Å; F22-L92 HydrophobicContact CE2-CD2 3.83Å; M88-L92 HydrophobicContact CE-CD1 3.99Å; K89-L92 HydrophobicContact CB-CD1 4.27Å; K89-L92 HydrophobicContact CB-CG 4.24Å; K89-L92 WeakPolarHBondContact O-CB 3.42Å; K89-L92 PolarHBondContact O-N 3.42Å; K90-L92 PolarHBondContact O-N 3.49Å; L92-Q94 VanDerWaalsContact C-N 3.31Å |
| 93 | F | 65.6 | Low | 70.1 | Confident | 139 Ų | 139 | 103.3 Ų | 103.3 | 61% | 0.61 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -82.5 | -9.4 | 176 | -59.1 | -70.1 | 0 | 0 | 0 | 113 | M88 K90 E91 V95 | M88-F93 HydrophobicContact CB-CE2 4.07Å; M88-F93 HydrophobicContact CB-CZ 3.97Å; K90-F93 PolarHBondContact O-N 3.47Å; K90-F93 VanDerWaalsContact O-N 3.08Å; E91-F93 VanDerWaalsContact C-N 3.29Å; E91-F93 PolarHBondContact O-N 3.47Å; F93-V95 PolarHBondContact O-N 2.89Å |
| 94 | Q | 65.1 | Low | 68.9 | Low | 149 Ų | 149 | 107.6 Ų | 107.6 | 70% | 0.696 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -86.9 | 15.3 | 179.1 | -67.8 | -173.4 | -20 | 0 | 0 | 113.4 | E91 L92 T96 | E91-Q94 PolarHBondContact O-N 2.83Å; L92-Q94 VanDerWaalsContact C-N 3.31Å; Q94-T96 PolarHBondContact O-N 3.17Å; Q94-T96 PolarHBondContact O-OG1 3.06Å |
| 95 | V | 63.9 | Low | 67.6 | Low | 39 Ų | 39 | 109.6 Ų | 109.6 | 24% | 0.236 | 58% | 0.58 | C | S | . | * | trans | -69.7 | 85.4 | 173.3 | -179.3 | 0 | 0 | 0 | 0 | 109 | R21 F93 V97 | R21-V95 HydrophobicContact CB-CG1 3.64Å; F93-V95 PolarHBondContact O-N 2.89Å; V95-V97 PolarHBondContact O-N 3.06Å; V95-V97 VanDerWaalsContact O-N 3.13Å | ||
| 96 | T | 66.3 | Low | 66.5 | Low | 110 Ų | 110 | 112 Ų | 112 | 68% | 0.675 | 60% | 0.598 | S | S | * | * | trans | -69 | 108.2 | 173.7 | -49.8 | 0 | 0 | 0 | 0 | 108.7 | R21 Q94 | R21-T96 PolarHBondContact NE-O 3.3Å; R21-T96 PolarHBondContact NH1-O 3.31Å; Q94-T96 PolarHBondContact O-N 3.17Å; Q94-T96 PolarHBondContact O-OG1 3.06Å | ||
| 97 | V | 66.2 | Low | 65.3 | Low | 59 Ų | 59 | 112.9 Ų | 112.9 | 36% | 0.358 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -75.4 | 135.8 | 170.1 | -172.2 | 0 | 0 | 0 | 0 | 107.6 | A18 V95 E99 | A18-V97 HydrophobicContact CB-CG2 3.64Å; V95-V97 PolarHBondContact O-N 3.06Å; V95-V97 VanDerWaalsContact O-N 3.13Å; V97-E99 PolarHBondContact O-N 3.45Å |
| 98 | P | 66.1 | Low | 64.2 | Low | 41 Ų | 41 | 110.1 Ų | 110.1 | 27% | 0.266 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -57.6 | 141.8 | 172.8 | 25.4 | -35.7 | 0 | 0 | 0 | 108.8 | W13 V17 | W13-P98 HydrophobicContact CH2-CG 4.11Å; W13-P98 HydrophobicContact CZ3-CG 4.15Å; V17-P98 HydrophobicContact CG1-CG 3.92Å |
| 99 | E | 66.4 | Low | 63.5 | Low | 175 Ų | 175 | 114.7 Ų | 114.7 | 82% | 0.818 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 130.3 | 179.2 | -164.9 | 168.8 | -173.3 | 0 | 0 | 109.9 | V97 I101 | V97-E99 PolarHBondContact O-N 3.45Å; E99-I101 PolarHBondContact O-N 3.4Å |
| 100 | P | 63 | Low | 63 | Low | 81 Ų | 81 | 113 Ų | 113 | 53% | 0.526 | 61% | 0.613 | S | S | . | * | P | Polyproline II helix | trans | -57.7 | 132.3 | -180 | 22 | -30.8 | 0 | 0 | 0 | 109.2 | P102 | P100-P102 WeakPolarHBondContact O-CD 3.39Å; P100-P102 VanDerWaalsContact O-N 3.15Å |
| 101 | I | 65.5 | Low | 62.6 | Low | 101 Ų | 101 | 112.5 Ų | 112.5 | 52% | 0.518 | 61% | 0.611 | S | S | . | * | P | Polyproline II helix | trans | -55.9 | 121.7 | 177.9 | -57.2 | 164.4 | 0 | 0 | 0 | 107 | E99 V103 | E99-I101 PolarHBondContact O-N 3.4Å; I101-V103 PolarHBondContact O-N 3.04Å |
| 102 | P | 60.9 | Low | 62.5 | Low | 112 Ų | 112 | 115.8 Ų | 115.8 | 73% | 0.727 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 117.7 | 176.4 | -21 | 30.4 | 0 | 0 | 0 | 108.2 | P100 E104 | P100-P102 WeakPolarHBondContact O-CD 3.39Å; P100-P102 VanDerWaalsContact O-N 3.15Å; P102-E104 VanDerWaalsContact C-N 3.31Å; P102-E104 PolarHBondContact O-N 2.94Å |
| 103 | V | 64.2 | Low | 62.3 | Low | 118 Ų | 118 | 117.1 Ų | 117.1 | 72% | 0.715 | 63% | 0.628 | S | S | * | * | trans | -73.2 | 98.5 | 168.3 | -167.9 | 0 | 0 | 0 | 0 | 104.3 | P10 I101 S105 | P10-V103 HydrophobicContact CG-CG2 4.21Å; I101-V103 PolarHBondContact O-N 3.04Å; V103-S105 PolarHBondContact O-N 3.02Å | ||
| 104 | E | 61.3 | Low | 62.1 | Low | 168 Ų | 168 | 113.2 Ų | 113.2 | 79% | 0.785 | 63% | 0.627 | S | S | * | * | trans | -53.8 | 112.3 | 169.6 | -74.6 | -178.8 | 170.4 | 0 | 0 | 106.8 | P102 V106 | P102-E104 VanDerWaalsContact C-N 3.31Å; P102-E104 PolarHBondContact O-N 2.94Å; E104-V106 VanDerWaalsContact C-N 3.27Å; E104-V106 PolarHBondContact O-N 2.87Å | ||
| 105 | S | 57.2 | Low | 62.3 | Low | 97 Ų | 97 | 115.5 Ų | 115.5 | 68% | 0.678 | 63% | 0.634 | S | S | * | * | trans | -63.7 | 99.5 | 168.1 | 50 | 0 | 0 | 0 | 0 | 105.8 | V103 E107 | V103-S105 PolarHBondContact O-N 3.02Å; S105-E107 PolarHBondContact O-N 2.79Å | ||
| 106 | V | 58.5 | Low | 62.3 | Low | 129 Ų | 129 | 115.8 Ų | 115.8 | 78% | 0.782 | 64% | 0.641 | S | S | * | * | trans | -65.5 | 90.4 | 168.5 | -174.4 | 0 | 0 | 0 | 0 | 105.3 | E104 G108 | E104-V106 VanDerWaalsContact C-N 3.27Å; E104-V106 PolarHBondContact O-N 2.87Å; V106-G108 PolarHBondContact O-N 2.81Å | ||
| 107 | E | 56.6 | Low | 62.5 | Low | 180 Ų | 180 | 117.7 Ų | 117.7 | 84% | 0.841 | 64% | 0.64 | S | S | * | * | trans | -63 | 88.4 | 159 | -67.9 | -170 | 171.1 | 0 | 0 | 105.3 | S105 D109 | S105-E107 PolarHBondContact O-N 2.79Å; E107-D109 PolarHBondContact O-N 3.25Å | ||
| 108 | G | 56.3 | Low | 62.9 | Low | 47 Ų | 47 | 119.9 Ų | 119.9 | 49% | 0.485 | 66% | 0.655 | S | S | . | * | trans | -54.3 | 124.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | V106 V110 | V106-G108 PolarHBondContact O-N 2.81Å; G108-V110 PolarHBondContact O-N 3.17Å | ||
| 109 | D | 60.1 | Low | 63.3 | Low | 166 Ų | 166 | 121 Ų | 121 | 89% | 0.888 | 66% | 0.656 | S | S | * | * | trans | -54.9 | 106.1 | -179.3 | -153.6 | 5 | 0 | 0 | 0 | 108.2 | E107 F111 | E107-D109 PolarHBondContact O-N 3.25Å; D109-F111 PolarHBondContact O-N 3.49Å; D109-F111 VanDerWaalsContact O-N 3.09Å | ||
| 110 | V | 58.8 | Low | 64 | Low | 107 Ų | 107 | 117.4 Ų | 117.4 | 65% | 0.648 | 64% | 0.638 | S | S | * | * | trans | -67 | 117.6 | -170.3 | -178.9 | 0 | 0 | 0 | 0 | 107.2 | G108 R112 | G108-V110 PolarHBondContact O-N 3.17Å; V110-R112 WeakPolarHBondContact O-CG 3.22Å; V110-R112 PolarHBondContact O-N 2.98Å | ||
| 111 | F | 62.8 | Low | 65 | Low | 167 Ų | 167 | 119 Ų | 119 | 73% | 0.732 | 66% | 0.658 | S | S | * | * | trans | -56.4 | 104.1 | -179.3 | -143.8 | -103.1 | 0 | 0 | 0 | 110 | D109 V113 N132 H134 | D109-F111 PolarHBondContact O-N 3.49Å; D109-F111 VanDerWaalsContact O-N 3.09Å; F111-V113 HydrophobicContact CD1-CG2 3.44Å; F111-V113 VanDerWaalsContact CD1-CG2 3.44Å; F111-V113 HydrophobicContact CE1-CG2 3.64Å; F111-V113 PolarHBondContact O-N 3.19Å; F111-N132 PolarHBondContact O-ND2 3.11Å; F111-H134 PolarHBondContact O-CE1 2.82Å | ||
| 112 | R | 61.7 | Low | 66.1 | Low | 203 Ų | 203 | 122.5 Ų | 122.5 | 77% | 0.766 | 67% | 0.666 | S | S | * | * | trans | -88.6 | 102.2 | -179.5 | -70.2 | -171.5 | -174.1 | -161.6 | 2.5 | 109.5 | V110 | V110-R112 WeakPolarHBondContact O-CG 3.22Å; V110-R112 PolarHBondContact O-N 2.98Å | ||
| 113 | V | 61.5 | Low | 67.3 | Low | 71 Ų | 71 | 118.7 Ų | 118.7 | 43% | 0.43 | 64% | 0.639 | S | S | . | * | trans | -122.4 | 118 | 173.8 | -178.8 | 0 | 0 | 0 | 0 | 109.3 | F111 H134 | F111-V113 HydrophobicContact CD1-CG2 3.44Å; F111-V113 VanDerWaalsContact CD1-CG2 3.44Å; F111-V113 HydrophobicContact CE1-CG2 3.64Å; F111-V113 PolarHBondContact O-N 3.19Å; V113-H134 PolarHBondContact O-ND1 3.25Å | ||
| 114 | G | 62.5 | Low | 68.2 | Low | 57 Ų | 57 | 116.2 Ų | 116.2 | 59% | 0.588 | 63% | 0.625 | S | S | * | * | S | Bend | trans | 96.8 | 165.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 115 | K | 67.6 | Low | 69.2 | Low | 198 Ų | 198 | 113 Ų | 113 | 86% | 0.861 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 124.8 | 168.2 | -65.8 | -176.4 | -179.4 | -179.8 | 0 | 108 | K117 | K115-K117 PolarHBondContact O-N 3.26Š|
| 116 | A | 65.4 | Low | 70.7 | Confident | 45 Ų | 45 | 116 Ų | 116 | 37% | 0.372 | 63% | 0.63 | S | S | . | * | P | Polyproline II helix | trans | -56.6 | 131.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 117 | K | 70.9 | Confident | 72 | Confident | 149 Ų | 149 | 113.9 Ų | 113.9 | 65% | 0.648 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 121.9 | 178.8 | -151.9 | 172.6 | -174 | 179.3 | 0 | 107 | K115 | K115-K117 PolarHBondContact O-N 3.26Š|
| 118 | P | 73.4 | Confident | 73.1 | Confident | 106 Ų | 106 | 111.5 Ų | 111.5 | 69% | 0.688 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 148.5 | -179 | 24.7 | -32.7 | 0 | 0 | 0 | 109.8 | ||
| 119 | F | 75.5 | Confident | 74.1 | Confident | 63 Ų | 63 | 115.6 Ų | 115.6 | 28% | 0.276 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -56.9 | 142.5 | 173 | -87.7 | -56.6 | 0 | 0 | 0 | 110.6 | I123 L127 T128 F130 | F119-I123 HydrophobicContact CB-CB 4.34Å; F119-I123 HydrophobicContact CD1-CB 3.8Å; F119-I123 HydrophobicContact CD1-CD1 3.62Å; F119-I123 HydrophobicContact CD1-CG1 4.29Å; F119-I123 HydrophobicContact CD1-CG2 3.52Å; F119-I123 HydrophobicContact CE1-CB 4.34Å; F119-I123 HydrophobicContact CE1-CD1 4.09Å; F119-I123 HydrophobicContact CE1-CG2 3.56Å; F119-I123 HydrophobicContact CG-CB 4.24Å; F119-I123 HydrophobicContact CG-CG2 4.1Å; F119-I123 HydrophobicContact CZ-CG2 4.13Å; F119-L127 WeakPolarHBondContact CE2-O 3.47Å; F119-L127 HydrophobicContact CZ-CB 4.22Å; F119-T128 WeakPolarHBondContact CZ-O 3.25Å; F119-F130 AromaticContact CD1-CD2 3.69Å; F119-F130 HydrophobicContact CD1-CD2 3.69Å; F119-F130 AromaticContact CD1-CE2 3.29Å; F119-F130 HydrophobicContact CD1-CE2 3.29Å; F119-F130 HydrophobicContact CD1-CG 4.48Å; F119-F130 AromaticContact CD1-CZ 3.79Å; F119-F130 HydrophobicContact CD1-CZ 3.79Å; F119-F130 HydrophobicContact CE1-CD1 4.25Å; F119-F130 AromaticContact CE1-CD2 3.78Å; F119-F130 HydrophobicContact CE1-CD2 3.78Å; F119-F130 HydrophobicContact CE1-CE1 4.04Å; F119-F130 AromaticContact CE1-CE2 3.57Å; F119-F130 HydrophobicContact CE1-CE2 3.57Å; F119-F130 HydrophobicContact CE1-CG 4.12Å; F119-F130 AromaticContact CE1-CZ 3.7Å; F119-F130 HydrophobicContact CE1-CZ 3.7Å; F119-F130 HydrophobicContact CG-CE2 4.37Å |
| 120 | F | 81 | Confident | 74.9 | Confident | 100 Ų | 100 | 110.9 Ų | 110.9 | 44% | 0.439 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -65.7 | 149.8 | 167.4 | -58 | -70.3 | 0 | 0 | 0 | 109.6 | Y122 I123 F130 | F120-Y122 HydrophobicContact CB-CD1 3.6Å; F120-Y122 HydrophobicContact CB-CE1 3.19Å; F120-Y122 HydrophobicContact CB-CG 4.42Å; F120-Y122 AromaticContact CD2-CE1 3.98Å; F120-Y122 HydrophobicContact CD2-CE1 3.98Å; F120-Y122 AromaticContact CD2-CZ 3.81Å; F120-Y122 VanDerWaalsContact CD2-OH 3.25Å; F120-Y122 WeakPolarHBondContact CD2-OH 3.36Å; F120-Y122 AromaticContact CG-CE1 3.7Å; F120-Y122 HydrophobicContact CG-CE1 3.7Å; F120-Y122 PolarHBondContact O-N 3.09Å; F120-I123 HydrophobicContact CB-CD1 4.31Å; F120-I123 HydrophobicContact CD2-CD1 4.03Å; F120-I123 PolarHBondContact O-N 2.88Å; F120-F130 HydrophobicContact CD2-CE2 4.35Å; F120-F130 HydrophobicContact CE2-CE2 4.47Å |
| 121 | A | 83.9 | Confident | 75.7 | Confident | 114 Ų | 114 | 109 Ų | 109 | 94% | 0.942 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -18.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 122 | Y | 88.8 | Confident | 76 | Confident | 176 Ų | 176 | 102.2 Ų | 102.2 | 69% | 0.69 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -6.9 | 177.8 | 63.1 | -96.9 | 0 | 0 | 0 | 113.9 | F120 | F120-Y122 HydrophobicContact CB-CD1 3.6Å; F120-Y122 HydrophobicContact CB-CE1 3.19Å; F120-Y122 HydrophobicContact CB-CG 4.42Å; F120-Y122 AromaticContact CD2-CE1 3.98Å; F120-Y122 HydrophobicContact CD2-CE1 3.98Å; F120-Y122 AromaticContact CD2-CZ 3.81Å; F120-Y122 VanDerWaalsContact CD2-OH 3.25Å; F120-Y122 WeakPolarHBondContact CD2-OH 3.36Å; F120-Y122 AromaticContact CG-CE1 3.7Å; F120-Y122 HydrophobicContact CG-CE1 3.7Å; F120-Y122 PolarHBondContact O-N 3.09Å |
| 123 | I | 84.5 | Confident | 76.3 | Confident | 32 Ų | 32 | 96 Ų | 96 | 16% | 0.164 | 54% | 0.538 | C | S | . | . | S | Bend | trans | -95.6 | 123.9 | -176.8 | -58.4 | 174.3 | 0 | 0 | 0 | 109.3 | F119 F120 L127 F130 | F119-I123 HydrophobicContact CB-CB 4.34Å; F119-I123 HydrophobicContact CD1-CB 3.8Å; F119-I123 HydrophobicContact CD1-CD1 3.62Å; F119-I123 HydrophobicContact CD1-CG1 4.29Å; F119-I123 HydrophobicContact CD1-CG2 3.52Å; F119-I123 HydrophobicContact CE1-CB 4.34Å; F119-I123 HydrophobicContact CE1-CD1 4.09Å; F119-I123 HydrophobicContact CE1-CG2 3.56Å; F119-I123 HydrophobicContact CG-CB 4.24Å; F119-I123 HydrophobicContact CG-CG2 4.1Å; F119-I123 HydrophobicContact CZ-CG2 4.13Å; F120-I123 HydrophobicContact CB-CD1 4.31Å; F120-I123 HydrophobicContact CD2-CD1 4.03Å; F120-I123 PolarHBondContact O-N 2.88Å; I123-L127 HydrophobicContact CG2-CD1 3.77Å; I123-F130 HydrophobicContact CD1-CE2 3.93Å; I123-F130 HydrophobicContact CD1-CZ 3.52Å |
| 124 | P | 83.8 | Confident | 76.5 | Confident | 65 Ų | 65 | 97.4 Ų | 97.4 | 42% | 0.422 | 54% | 0.539 | S | S | . | . | trans | -59.5 | 137 | 178.4 | -25.4 | 34.2 | 0 | 0 | 0 | 113.4 | H126 L127 | P124-H126 WeakPolarHBondContact CB-CE1 3.16Å; P124-H126 WeakPolarHBondContact CB-ND1 3.44Å; P124-H126 PolarHBondContact O-N 2.88Å; P124-H126 VanDerWaalsContact O-N 3.11Å; P124-L127 PolarHBondContact O-N 3.23Å | ||
| 125 | A | 82.7 | Confident | 76.9 | Confident | 101 Ų | 101 | 98.5 Ų | 98.5 | 84% | 0.835 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -10.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | L127 | A125-L127 VanDerWaalsContact C-N 3.29Š|
| 126 | H | 87.6 | Confident | 76.9 | Confident | 159 Ų | 159 | 94.7 Ų | 94.7 | 74% | 0.736 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -9 | 178 | 64.8 | -95.2 | 0 | 0 | 0 | 113.3 | P124 | P124-H126 WeakPolarHBondContact CB-CE1 3.16Å; P124-H126 WeakPolarHBondContact CB-ND1 3.44Å; P124-H126 PolarHBondContact O-N 2.88Å; P124-H126 VanDerWaalsContact O-N 3.11Å |
| 127 | L | 86.4 | Confident | 76.7 | Confident | 86 Ų | 86 | 100.7 Ų | 100.7 | 45% | 0.45 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -80.6 | 151.4 | 177.6 | -65.8 | 171.9 | 0 | 0 | 0 | 111.1 | F119 I123 P124 A125 Q129 | F119-L127 WeakPolarHBondContact CE2-O 3.47Å; F119-L127 HydrophobicContact CZ-CB 4.22Å; I123-L127 HydrophobicContact CG2-CD1 3.77Å; P124-L127 PolarHBondContact O-N 3.23Å; A125-L127 VanDerWaalsContact C-N 3.29Å; L127-Q129 PolarHBondContact O-N 2.88Å |
| 128 | T | 80.7 | Confident | 75.9 | Confident | 129 Ų | 129 | 104.6 Ų | 104.6 | 79% | 0.791 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 132.1 | 178.3 | 54.1 | 0 | 0 | 0 | 0 | 111.2 | F119 | F119-T128 WeakPolarHBondContact CZ-O 3.25Š|
| 129 | Q | 76.7 | Confident | 75.1 | Confident | 134 Ų | 134 | 106 Ų | 106 | 63% | 0.626 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -46.6 | 146.7 | 176.4 | 54.2 | -175.1 | -13.6 | 0 | 0 | 113.9 | L127 | L127-Q129 PolarHBondContact O-N 2.88Š|
| 130 | F | 76.7 | Confident | 74.4 | Confident | 67 Ų | 67 | 107 Ų | 107 | 29% | 0.294 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -56.8 | 144.1 | 178.2 | -76 | -56.7 | 0 | 0 | 0 | 112 | F119 F120 I123 | F119-F130 AromaticContact CD1-CD2 3.69Å; F119-F130 HydrophobicContact CD1-CD2 3.69Å; F119-F130 AromaticContact CD1-CE2 3.29Å; F119-F130 HydrophobicContact CD1-CE2 3.29Å; F119-F130 HydrophobicContact CD1-CG 4.48Å; F119-F130 AromaticContact CD1-CZ 3.79Å; F119-F130 HydrophobicContact CD1-CZ 3.79Å; F119-F130 HydrophobicContact CE1-CD1 4.25Å; F119-F130 AromaticContact CE1-CD2 3.78Å; F119-F130 HydrophobicContact CE1-CD2 3.78Å; F119-F130 HydrophobicContact CE1-CE1 4.04Å; F119-F130 AromaticContact CE1-CE2 3.57Å; F119-F130 HydrophobicContact CE1-CE2 3.57Å; F119-F130 HydrophobicContact CE1-CG 4.12Å; F119-F130 AromaticContact CE1-CZ 3.7Å; F119-F130 HydrophobicContact CE1-CZ 3.7Å; F119-F130 HydrophobicContact CG-CE2 4.37Å; F120-F130 HydrophobicContact CD2-CE2 4.35Å; F120-F130 HydrophobicContact CE2-CE2 4.47Å; I123-F130 HydrophobicContact CD1-CE2 3.93Å; I123-F130 HydrophobicContact CD1-CZ 3.52Å |
| 131 | P | 75.9 | Confident | 73.3 | Confident | 68 Ų | 68 | 105.6 Ų | 105.6 | 44% | 0.442 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -52.7 | 152.3 | 170.7 | -20.6 | 27.1 | 0 | 0 | 0 | 111.6 | T135 Y136 | P131-T135 HydrophobicContact CB-CG2 3.85Å; P131-Y136 WeakPolarHBondContact CD-OH 3.49Å; P131-Y136 WeakPolarHBondContact O-CE2 3.31Å; P131-Y136 PolarHBondContact O-OH 3.23Å |
| 132 | N | 69.9 | Low | 72.1 | Confident | 23 Ų | 23 | 107.6 Ų | 107.6 | 12% | 0.123 | 58% | 0.584 | C | S | . | * | P | Polyproline II helix | trans | -59.5 | 151.3 | 178.8 | -72.8 | -38.5 | 0 | 0 | 0 | 110.8 | F111 H134 T135 | F111-N132 PolarHBondContact O-ND2 3.11Å; N132-H134 WeakPolarHBondContact CB-CE1 3.21Å; N132-H134 VanDerWaalsContact CB-ND1 3.32Å; N132-H134 WeakPolarHBondContact CB-ND1 3.44Å; N132-H134 PolarHBondContact ND2-CE1 3.03Å; N132-H134 PolarHBondContact O-N 3.47Å; N132-T135 WeakPolarHBondContact O-CA 3.33Å; N132-T135 WeakPolarHBondContact O-CB 3.4Å; N132-T135 PolarHBondContact O-N 3.33Å; N132-T135 PolarHBondContact O-OG1 2.98Å |
| 133 | P | 67.6 | Low | 70.9 | Confident | 73 Ų | 73 | 106.1 Ų | 106.1 | 47% | 0.474 | 58% | 0.583 | S | S | . | * | G | 310 helix | trans | -54.8 | -29.7 | -177.7 | -27.5 | 35.1 | 0 | 0 | 0 | 114.4 | T135 | P133-T135 VanDerWaalsContact C-N 3.32Š|
| 134 | H | 66 | Low | 70.1 | Confident | 100 Ų | 100 | 113.1 Ų | 113.1 | 46% | 0.463 | 62% | 0.616 | S | S | . | * | G | 310 helix | trans | -80.7 | -9 | 177.8 | 68 | -89.1 | 0 | 0 | 0 | 113.9 | F111 V113 N132 | F111-H134 PolarHBondContact O-CE1 2.82Å; V113-H134 PolarHBondContact O-ND1 3.25Å; N132-H134 WeakPolarHBondContact CB-CE1 3.21Å; N132-H134 VanDerWaalsContact CB-ND1 3.32Å; N132-H134 WeakPolarHBondContact CB-ND1 3.44Å; N132-H134 PolarHBondContact ND2-CE1 3.03Å; N132-H134 PolarHBondContact O-N 3.47Å |
| 135 | T | 69.2 | Low | 69.3 | Low | 80 Ų | 80 | 116.3 Ų | 116.3 | 49% | 0.491 | 62% | 0.623 | S | S | . | * | G | 310 helix | trans | -81.1 | -21.3 | 175.3 | -48.7 | 0 | 0 | 0 | 0 | 111.9 | P131 N132 P133 I137 | P131-T135 HydrophobicContact CB-CG2 3.85Å; N132-T135 WeakPolarHBondContact O-CA 3.33Å; N132-T135 WeakPolarHBondContact O-CB 3.4Å; N132-T135 PolarHBondContact O-N 3.33Å; N132-T135 PolarHBondContact O-OG1 2.98Å; P133-T135 VanDerWaalsContact C-N 3.32Å; T135-I137 PolarHBondContact O-N 2.94Å |
| 136 | Y | 67.6 | Low | 68.8 | Low | 119 Ų | 119 | 116.3 Ų | 116.3 | 47% | 0.467 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -72.7 | 128.9 | 176.9 | -60.2 | -79.8 | 0 | 0 | 0 | 110.5 | P131 R138 | P131-Y136 WeakPolarHBondContact CD-OH 3.49Å; P131-Y136 WeakPolarHBondContact O-CE2 3.31Å; P131-Y136 PolarHBondContact O-OH 3.23Å; Y136-R138 PolarHBondContact O-N 3.34Å |
| 137 | I | 62 | Low | 68.4 | Low | 170 Ų | 170 | 115.5 Ų | 115.5 | 87% | 0.872 | 61% | 0.61 | S | S | * | * | trans | -65.2 | 99.8 | 177.5 | -62.7 | 169.4 | 0 | 0 | 0 | 108.4 | T135 | T135-I137 PolarHBondContact O-N 2.94Š| ||
| 138 | R | 54.3 | Low | 68.4 | Low | 231 Ų | 231 | 113.7 Ų | 113.7 | 87% | 0.872 | 61% | 0.605 | S | S | * | * | trans | 35.7 | 93.1 | 163.6 | -68.2 | -178.9 | 176.1 | 160.2 | -1.1 | 115.5 | Y136 A140 | Y136-R138 PolarHBondContact O-N 3.34Å; R138-A140 PolarHBondContact O-N 3.19Å | ||
| 139 | T | 57.2 | Low | 68.5 | Low | 135 Ų | 135 | 115 Ų | 115 | 83% | 0.828 | 60% | 0.596 | S | S | * | * | trans | -60.2 | 119.3 | 144.1 | -44.9 | 0 | 0 | 0 | 0 | 106.7 | G141 | T139-G141 PolarHBondContact O-N 3.38Š| ||
| 140 | A | 59.2 | Low | 69.1 | Low | 84 Ų | 84 | 115.9 Ų | 115.9 | 69% | 0.694 | 60% | 0.6 | S | S | * | * | trans | -56.3 | 110.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | R138 I142 | R138-A140 PolarHBondContact O-N 3.19Å; A140-I142 PolarHBondContact O-N 3.28Å | ||
| 141 | G | 59.7 | Low | 69.5 | Low | 71 Ų | 71 | 113.7 Ų | 113.7 | 73% | 0.732 | 59% | 0.593 | S | S | * | * | trans | -60.7 | 110.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 106.3 | T139 Q143 | T139-G141 PolarHBondContact O-N 3.38Å; G141-Q143 PolarHBondContact O-N 3.44Å | ||
| 142 | I | 58.6 | Low | 70.1 | Confident | 156 Ų | 156 | 113.4 Ų | 113.4 | 80% | 0.8 | 59% | 0.587 | S | S | * | * | trans | -64.6 | 96.3 | 166.9 | -61.1 | 170.4 | 0 | 0 | 0 | 104 | A140 E144 | A140-I142 PolarHBondContact O-N 3.28Å; I142-E144 PolarHBondContact O-N 3.26Å; I142-E144 VanDerWaalsContact O-N 3.08Å | ||
| 143 | Q | 63.1 | Low | 71.1 | Confident | 145 Ų | 145 | 119.7 Ų | 119.7 | 68% | 0.678 | 61% | 0.609 | S | S | * | * | trans | -67.1 | 108.6 | 164.4 | -168.7 | 163.9 | 25.3 | 0 | 0 | 104.6 | G141 F145 | G141-Q143 PolarHBondContact O-N 3.44Å; Q143-F145 VanDerWaalsContact C-N 3.3Å; Q143-F145 WeakPolarHBondContact O-CD2 3.32Å; Q143-F145 PolarHBondContact O-N 3.02Å | ||
| 144 | E | 68.3 | Low | 72.3 | Confident | 180 Ų | 180 | 122.1 Ų | 122.1 | 84% | 0.841 | 61% | 0.614 | S | S | * | * | trans | -60.8 | 99.4 | 174 | -67.2 | -178 | 172.3 | 0 | 0 | 106.9 | I142 | I142-E144 PolarHBondContact O-N 3.26Å; I142-E144 VanDerWaalsContact O-N 3.08Å | ||
| 145 | F | 67.3 | Low | 73.4 | Confident | 131 Ų | 131 | 124.2 Ų | 124.2 | 58% | 0.575 | 62% | 0.618 | S | S | * | * | trans | -68.7 | 140.2 | 169.6 | -63.2 | -74.9 | 0 | 0 | 0 | 107.5 | Q143 N147 | Q143-F145 VanDerWaalsContact C-N 3.3Å; Q143-F145 WeakPolarHBondContact O-CD2 3.32Å; Q143-F145 PolarHBondContact O-N 3.02Å; F145-N147 PolarHBondContact O-N 3.15Å | ||
| 146 | D | 71.2 | Confident | 74.4 | Confident | 102 Ų | 102 | 125.6 Ų | 125.6 | 55% | 0.545 | 62% | 0.621 | S | S | . | * | trans | -60.5 | 98.8 | 175.3 | -147.2 | -25.1 | 0 | 0 | 0 | 108.8 | S148 | D146-S148 PolarHBondContact O-N 3.05Å; D146-S148 PolarHBondContact OD1-OG 3.03Å | ||
| 147 | N | 78.5 | Confident | 75.6 | Confident | 142 Ų | 142 | 122.7 Ų | 122.7 | 76% | 0.759 | 62% | 0.622 | S | S | * | * | trans | -94.9 | 20 | -174.8 | -158.8 | 15.9 | 0 | 0 | 0 | 111.4 | F145 Y149 | F145-N147 PolarHBondContact O-N 3.15Å; N147-Y149 PolarHBondContact O-N 3.48Å | ||
| 148 | S | 86.2 | Confident | 77.1 | Confident | 47 Ų | 47 | 117.1 Ų | 117.1 | 33% | 0.329 | 60% | 0.598 | S | S | . | * | trans | -70.2 | 122.9 | 177.6 | 51.5 | 0 | 0 | 0 | 0 | 109.9 | D146 Q150 S151 I152 | D146-S148 PolarHBondContact O-N 3.05Å; D146-S148 PolarHBondContact OD1-OG 3.03Å; S148-Q150 PolarHBondContact O-N 3.05Å; S148-Q150 VanDerWaalsContact O-N 3.11Å; S148-S151 PolarHBondContact O-N 3.44Å; S148-S151 VanDerWaalsContact O-N 3.07Å; S148-S151 PolarHBondContact O-OG 3.48Å; S148-S151 WeakPolarHBondContact OG-CB 3.17Å; S148-S151 PolarHBondContact OG-OG 3.4Å; S148-I152 PolarHBondContact O-N 3.21Å | ||
| 149 | Y | 84.2 | Confident | 79 | Confident | 157 Ų | 157 | 113 Ų | 113 | 62% | 0.616 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -53.6 | -35.9 | -178.5 | 178.2 | -101.7 | 0 | 0 | 0 | 113.7 | N147 R153 | N147-Y149 PolarHBondContact O-N 3.48Å; Y149-R153 HydrophobicContact CD1-CG 4.46Å; Y149-R153 HydrophobicContact CE1-CG 4.16Å; Y149-R153 VanDerWaalsContact CE1-NE 3.3Å; Y149-R153 HydrophobicContact CE2-CG 4.49Å; Y149-R153 PolarHBondContact O-N 2.85Å; Y149-R153 PolarHBondContact OH-NE 2.99Å; Y149-R153 PolarHBondContact OH-NH2 3.12Å |
| 150 | Q | 88.7 | Confident | 80.8 | Confident | 153 Ų | 153 | 112.3 Ų | 112.3 | 72% | 0.715 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.8 | -48 | 177.5 | -177 | 175 | -14 | 0 | 0 | 111.8 | S148 I152 R153 E154 | S148-Q150 PolarHBondContact O-N 3.05Å; S148-Q150 VanDerWaalsContact O-N 3.11Å; Q150-I152 VanDerWaalsContact C-N 3.32Å; Q150-I152 PolarHBondContact O-N 3.29Å; Q150-R153 PolarHBondContact O-N 2.94Å; Q150-E154 WeakPolarHBondContact O-CB 3.31Å; Q150-E154 PolarHBondContact O-N 2.93Å |
| 151 | S | 85.7 | Confident | 82.5 | Confident | 20 Ų | 20 | 114.2 Ų | 114.2 | 14% | 0.14 | 57% | 0.566 | C | S | . | * | H | α-helix | trans | -65.9 | -36.1 | -179.9 | 69.1 | 0 | 0 | 0 | 0 | 112 | S148 E154 R155 | S148-S151 PolarHBondContact O-N 3.44Å; S148-S151 VanDerWaalsContact O-N 3.07Å; S148-S151 PolarHBondContact O-OG 3.48Å; S148-S151 WeakPolarHBondContact OG-CB 3.17Å; S148-S151 PolarHBondContact OG-OG 3.4Å; S151-E154 PolarHBondContact O-N 2.98Å; S151-R155 WeakPolarHBondContact O-CB 3.33Å; S151-R155 WeakPolarHBondContact O-CG 3.29Å; S151-R155 PolarHBondContact O-N 3.29Å |
| 152 | I | 88 | Confident | 84.3 | Confident | 63 Ų | 63 | 116 Ų | 116 | 32% | 0.323 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.9 | -47.5 | 175.3 | -62.7 | 169.1 | 0 | 0 | 0 | 110.3 | S148 Q150 E154 R155 I156 | S148-I152 PolarHBondContact O-N 3.21Å; Q150-I152 VanDerWaalsContact C-N 3.32Å; Q150-I152 PolarHBondContact O-N 3.29Å; I152-E154 PolarHBondContact O-N 3.35Å; I152-R155 PolarHBondContact O-N 3.42Å; I152-I156 HydrophobicContact CG2-CD1 3.89Å; I152-I156 VanDerWaalsContact O-CG1 3.3Å; I152-I156 WeakPolarHBondContact O-CG1 3.5Å; I152-I156 PolarHBondContact O-N 3.33Å |
| 153 | R | 90.2 | Very high | 86 | Confident | 155 Ų | 155 | 114 Ų | 114 | 59% | 0.585 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.4 | -40.9 | 177.8 | -82.4 | -159.7 | 170.1 | -144.3 | 0.5 | 112.6 | Y149 Q150 I156 A157 | Y149-R153 HydrophobicContact CD1-CG 4.46Å; Y149-R153 HydrophobicContact CE1-CG 4.16Å; Y149-R153 VanDerWaalsContact CE1-NE 3.3Å; Y149-R153 HydrophobicContact CE2-CG 4.49Å; Y149-R153 PolarHBondContact O-N 2.85Å; Y149-R153 PolarHBondContact OH-NE 2.99Å; Y149-R153 PolarHBondContact OH-NH2 3.12Å; Q150-R153 PolarHBondContact O-N 2.94Å; R153-I156 PolarHBondContact O-N 3.46Å; R153-A157 WeakPolarHBondContact O-CB 3.42Å; R153-A157 PolarHBondContact O-N 3.25Å |
| 154 | E | 92.7 | Very high | 87.4 | Confident | 123 Ų | 123 | 112.5 Ų | 112.5 | 58% | 0.575 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62 | -47.3 | 176.9 | -171.3 | 171.4 | -170.2 | 0 | 0 | 110.9 | Q150 S151 I152 I156 A157 S158 | Q150-E154 WeakPolarHBondContact O-CB 3.31Å; Q150-E154 PolarHBondContact O-N 2.93Å; S151-E154 PolarHBondContact O-N 2.98Å; I152-E154 PolarHBondContact O-N 3.35Å; E154-I156 VanDerWaalsContact C-N 3.35Å; E154-I156 PolarHBondContact O-N 2.96Å; E154-A157 WeakPolarHBondContact O-CB 3.33Å; E154-A157 PolarHBondContact O-N 3.2Å; E154-A157 VanDerWaalsContact O-N 3.16Å; E154-S158 PolarHBondContact O-N 2.83Å; E154-S158 PolarHBondContact O-OG 3.08Å; E154-S158 VanDerWaalsContact O-OG 3.12Å |
| 155 | R | 90.6 | Very high | 88.5 | Confident | 145 Ų | 145 | 107.6 Ų | 107.6 | 55% | 0.547 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.3 | -41.4 | 174.9 | -74.3 | -179 | -166.7 | 156.3 | 8.3 | 113.2 | S151 I152 K159 | S151-R155 WeakPolarHBondContact O-CB 3.33Å; S151-R155 WeakPolarHBondContact O-CG 3.29Å; S151-R155 PolarHBondContact O-N 3.29Å; I152-R155 PolarHBondContact O-N 3.42Å; R155-K159 WeakPolarHBondContact O-CB 3.4Å; R155-K159 WeakPolarHBondContact O-CG 3.34Å; R155-K159 PolarHBondContact O-N 3.43Å |
| 156 | I | 90 | Very high | 89.8 | Confident | 109 Ų | 109 | 105.1 Ų | 105.1 | 56% | 0.559 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.3 | -41.1 | 177.3 | -67.8 | 167.1 | 0 | 0 | 0 | 110.4 | I152 R153 E154 K159 K160 | I152-I156 HydrophobicContact CG2-CD1 3.89Å; I152-I156 VanDerWaalsContact O-CG1 3.3Å; I152-I156 WeakPolarHBondContact O-CG1 3.5Å; I152-I156 PolarHBondContact O-N 3.33Å; R153-I156 PolarHBondContact O-N 3.46Å; E154-I156 VanDerWaalsContact C-N 3.35Å; E154-I156 PolarHBondContact O-N 2.96Å; I156-K159 PolarHBondContact O-N 2.66Å; I156-K160 WeakPolarHBondContact O-CB 3.4Å; I156-K160 PolarHBondContact O-N 3.17Å |
| 157 | A | 92.9 | Very high | 90.8 | Very high | 57 Ų | 57 | 105 Ų | 105 | 47% | 0.471 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.1 | -47.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | R153 E154 K159 K160 E161 | R153-A157 WeakPolarHBondContact O-CB 3.42Å; R153-A157 PolarHBondContact O-N 3.25Å; E154-A157 WeakPolarHBondContact O-CB 3.33Å; E154-A157 PolarHBondContact O-N 3.2Å; E154-A157 VanDerWaalsContact O-N 3.16Å; A157-K159 PolarHBondContact O-N 3.04Å; A157-K160 WeakPolarHBondContact O-CB 3.13Å; A157-K160 PolarHBondContact O-N 3.46Å; A157-E161 PolarHBondContact O-N 3.42Å |
| 158 | S | 93.5 | Very high | 91.4 | Very high | 53 Ų | 53 | 100.6 Ų | 100.6 | 37% | 0.371 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.4 | -46.2 | 176.3 | -56.6 | 0 | 0 | 0 | 0 | 111.9 | E154 K160 E161 D162 | E154-S158 PolarHBondContact O-N 2.83Å; E154-S158 PolarHBondContact O-OG 3.08Å; E154-S158 VanDerWaalsContact O-OG 3.12Å; S158-K160 VanDerWaalsContact C-N 3.27Å; S158-K160 PolarHBondContact O-N 2.92Å; S158-E161 PolarHBondContact O-N 3.26Å; S158-D162 WeakPolarHBondContact O-CB 3.27Å; S158-D162 VanDerWaalsContact O-CG 3.28Å; S158-D162 PolarHBondContact O-N 3.33Å |
| 159 | K | 94.4 | Very high | 91.6 | Very high | 144 Ų | 144 | 101.1 Ų | 101.1 | 63% | 0.626 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58.4 | -38.9 | 175.7 | -79.8 | -173.5 | 176.2 | -172.1 | 0 | 112.7 | R155 I156 A157 M163 | R155-K159 WeakPolarHBondContact O-CB 3.4Å; R155-K159 WeakPolarHBondContact O-CG 3.34Å; R155-K159 PolarHBondContact O-N 3.43Å; I156-K159 PolarHBondContact O-N 2.66Å; A157-K159 PolarHBondContact O-N 3.04Å; K159-M163 WeakPolarHBondContact O-CB 3.29Å; K159-M163 PolarHBondContact O-N 3.35Å |
| 160 | K | 93.7 | Very high | 92 | Very high | 121 Ų | 121 | 99 Ų | 99 | 53% | 0.526 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.4 | -43.3 | 177.8 | -177.1 | -177.5 | 168.2 | -170.9 | 0 | 111.4 | I156 A157 S158 M163 E164 | I156-K160 WeakPolarHBondContact O-CB 3.4Å; I156-K160 PolarHBondContact O-N 3.17Å; A157-K160 WeakPolarHBondContact O-CB 3.13Å; A157-K160 PolarHBondContact O-N 3.46Å; S158-K160 VanDerWaalsContact C-N 3.27Å; S158-K160 PolarHBondContact O-N 2.92Å; K160-M163 PolarHBondContact O-N 3.27Å; K160-E164 WeakPolarHBondContact CE-OE1 3.48Å; K160-E164 IonicContact NZ-OE1 3.74Å; K160-E164 WeakPolarHBondContact O-CG 3.41Å; K160-E164 PolarHBondContact O-N 3.05Å |
| 161 | E | 96 | Very high | 92.1 | Very high | 125 Ų | 125 | 94.4 Ų | 94.4 | 58% | 0.584 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.6 | -45 | 175.6 | -177 | 178.4 | 177.3 | 0 | 0 | 111.7 | A157 S158 M163 E164 T165 | A157-E161 PolarHBondContact O-N 3.42Å; S158-E161 PolarHBondContact O-N 3.26Å; E161-M163 VanDerWaalsContact C-N 3.31Å; E161-M163 PolarHBondContact O-N 3.12Å; E161-E164 PolarHBondContact O-N 3.07Å; E161-T165 VanDerWaalsContact O-CB 3.32Å; E161-T165 WeakPolarHBondContact O-CB 3.3Å; E161-T165 PolarHBondContact O-N 3.31Å; E161-T165 PolarHBondContact O-OG1 3.25Å |
| 162 | D | 96 | Very high | 92.3 | Very high | 108 Ų | 108 | 95 Ų | 95 | 58% | 0.578 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.7 | -42.9 | 176 | -71.6 | -23.1 | 0 | 0 | 0 | 111.2 | S158 S166 | S158-D162 WeakPolarHBondContact O-CB 3.27Å; S158-D162 VanDerWaalsContact O-CG 3.28Å; S158-D162 PolarHBondContact O-N 3.33Å; D162-S166 WeakPolarHBondContact O-CB 3.28Å; D162-S166 PolarHBondContact O-N 2.82Å |
| 163 | M | 94.9 | Very high | 92.4 | Very high | 115 Ų | 115 | 100.4 Ų | 100.4 | 57% | 0.567 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.5 | -47.2 | 177.7 | -169.1 | -165.5 | -43.1 | 0 | 0 | 111.9 | K159 K160 E161 S166 L167 | K159-M163 WeakPolarHBondContact O-CB 3.29Å; K159-M163 PolarHBondContact O-N 3.35Å; K160-M163 PolarHBondContact O-N 3.27Å; E161-M163 VanDerWaalsContact C-N 3.31Å; E161-M163 PolarHBondContact O-N 3.12Å; M163-S166 PolarHBondContact O-N 3.44Å; M163-L167 WeakPolarHBondContact O-CB 3.4Å; M163-L167 PolarHBondContact O-N 3.2Å |
| 164 | E | 92.5 | Very high | 92.4 | Very high | 112 Ų | 112 | 97.8 Ų | 97.8 | 52% | 0.523 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.5 | -43 | 178.2 | -74 | -179.8 | -179.4 | 0 | 0 | 111.3 | K160 E161 L167 A168 | K160-E164 WeakPolarHBondContact CE-OE1 3.48Å; K160-E164 IonicContact NZ-OE1 3.74Å; K160-E164 WeakPolarHBondContact O-CG 3.41Å; K160-E164 PolarHBondContact O-N 3.05Å; E161-E164 PolarHBondContact O-N 3.07Å; E164-L167 PolarHBondContact O-N 3.49Å; E164-A168 VanDerWaalsContact O-CB 3.31Å; E164-A168 WeakPolarHBondContact O-CB 3.43Å; E164-A168 PolarHBondContact O-N 3.43Å |
| 165 | T | 91.9 | Very high | 92.2 | Very high | 77 Ų | 77 | 96.4 Ų | 96.4 | 47% | 0.472 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.7 | -41.9 | 178.9 | -55 | 0 | 0 | 0 | 0 | 111.6 | E161 A168 S169 | E161-T165 VanDerWaalsContact O-CB 3.32Å; E161-T165 WeakPolarHBondContact O-CB 3.3Å; E161-T165 PolarHBondContact O-N 3.31Å; E161-T165 PolarHBondContact O-OG1 3.25Å; T165-A168 PolarHBondContact O-N 3.32Å; T165-S169 VanDerWaalsContact O-CB 3.28Å; T165-S169 WeakPolarHBondContact O-CB 3.47Å; T165-S169 PolarHBondContact O-N 2.98Å; T165-S169 PolarHBondContact O-OG 3.05Å |
| 166 | S | 94.1 | Very high | 92.1 | Very high | 80 Ų | 80 | 93.4 Ų | 93.4 | 56% | 0.559 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.8 | -44.3 | 176 | -173.8 | 0 | 0 | 0 | 0 | 111.5 | D162 M163 S169 F170 | D162-S166 WeakPolarHBondContact O-CB 3.28Å; D162-S166 PolarHBondContact O-N 2.82Å; M163-S166 PolarHBondContact O-N 3.44Å; S166-S169 PolarHBondContact O-N 3.15Å; S166-F170 WeakPolarHBondContact O-CB 3.28Å; S166-F170 PolarHBondContact O-N 3.25Å |
| 167 | L | 92.8 | Very high | 92.1 | Very high | 98 Ų | 98 | 90.2 Ų | 90.2 | 51% | 0.513 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 176.3 | -177.4 | 64 | 0 | 0 | 0 | 111.7 | M163 E164 S169 F170 M171 | M163-L167 WeakPolarHBondContact O-CB 3.4Å; M163-L167 PolarHBondContact O-N 3.2Å; E164-L167 PolarHBondContact O-N 3.49Å; L167-S169 VanDerWaalsContact C-N 3.33Å; L167-S169 PolarHBondContact O-N 3.48Å; L167-F170 WeakPolarHBondContact O-CB 3.28Å; L167-F170 PolarHBondContact O-N 3.19Å; L167-M171 HydrophobicContact CD1-CE 3.8Å; L167-M171 HydrophobicContact CD1-CG 4.32Å; L167-M171 HydrophobicContact CG-CG 4.45Å; L167-M171 VanDerWaalsContact O-CG 3.29Å; L167-M171 WeakPolarHBondContact O-CG 3.31Å; L167-M171 PolarHBondContact O-N 2.97Å |
| 168 | A | 90.2 | Very high | 91.8 | Very high | 51 Ų | 51 | 91 Ų | 91 | 42% | 0.421 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | E164 T165 F170 M171 T172 | E164-A168 VanDerWaalsContact O-CB 3.31Å; E164-A168 WeakPolarHBondContact O-CB 3.43Å; E164-A168 PolarHBondContact O-N 3.43Å; T165-A168 PolarHBondContact O-N 3.32Å; A168-F170 VanDerWaalsContact C-N 3.28Å; A168-F170 PolarHBondContact O-N 3.29Å; A168-M171 PolarHBondContact O-N 3.03Å; A168-T172 VanDerWaalsContact O-CG2 3.28Å; A168-T172 WeakPolarHBondContact O-CG2 3.49Å; A168-T172 PolarHBondContact O-N 3.4Å; A168-T172 PolarHBondContact O-OG1 2.88Å |
| 169 | S | 90.2 | Very high | 91.5 | Very high | 58 Ų | 58 | 90.9 Ų | 90.9 | 41% | 0.406 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.7 | -31.3 | 175.8 | -62.1 | 0 | 0 | 0 | 0 | 112.8 | T165 S166 L167 T172 K173 | T165-S169 VanDerWaalsContact O-CB 3.28Å; T165-S169 WeakPolarHBondContact O-CB 3.47Å; T165-S169 PolarHBondContact O-N 2.98Å; T165-S169 PolarHBondContact O-OG 3.05Å; S166-S169 PolarHBondContact O-N 3.15Å; L167-S169 VanDerWaalsContact C-N 3.33Å; L167-S169 PolarHBondContact O-N 3.48Å; S169-T172 WeakPolarHBondContact CA-OG1 3.32Å; S169-T172 PolarHBondContact O-OG1 3.4Å; S169-T172 VanDerWaalsContact O-OG1 3.07Å; S169-K173 WeakPolarHBondContact O-CG 3.4Å |
| 170 | F | 93.1 | Very high | 91.1 | Very high | 111 Ų | 111 | 88 Ų | 88 | 49% | 0.487 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -74.3 | -47.8 | 174.9 | 175.8 | -101.7 | 0 | 0 | 0 | 111.7 | S166 L167 A168 T172 K173 I174 | S166-F170 WeakPolarHBondContact O-CB 3.28Å; S166-F170 PolarHBondContact O-N 3.25Å; L167-F170 WeakPolarHBondContact O-CB 3.28Å; L167-F170 PolarHBondContact O-N 3.19Å; A168-F170 VanDerWaalsContact C-N 3.28Å; A168-F170 PolarHBondContact O-N 3.29Å; F170-T172 VanDerWaalsContact C-N 3.3Å; F170-T172 PolarHBondContact O-N 3.07Å; F170-K173 WeakPolarHBondContact O-CB 3.46Å; F170-K173 PolarHBondContact O-N 3.19Å; F170-I174 HydrophobicContact CD1-CD1 3.94Å; F170-I174 HydrophobicContact CD2-CD1 4.17Å; F170-I174 HydrophobicContact CE1-CD1 3.33Å; F170-I174 HydrophobicContact CE2-CD1 3.59Å; F170-I174 HydrophobicContact CG-CD1 4.34Å; F170-I174 HydrophobicContact CZ-CD1 3.14Å; F170-I174 HydrophobicContact CZ-CG1 4.49Å; F170-I174 PolarHBondContact O-N 3.47Å |
| 171 | M | 91.7 | Very high | 90.6 | Very high | 58 Ų | 58 | 90.2 Ų | 90.2 | 29% | 0.286 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.4 | -39 | -179.8 | -70.4 | -66.9 | 157.5 | 0 | 0 | 111.9 | L167 A168 K173 I174 H175 L190 | L167-M171 HydrophobicContact CD1-CE 3.8Å; L167-M171 HydrophobicContact CD1-CG 4.32Å; L167-M171 HydrophobicContact CG-CG 4.45Å; L167-M171 VanDerWaalsContact O-CG 3.29Å; L167-M171 WeakPolarHBondContact O-CG 3.31Å; L167-M171 PolarHBondContact O-N 2.97Å; A168-M171 PolarHBondContact O-N 3.03Å; M171-K173 PolarHBondContact O-N 2.88Å; M171-I174 PolarHBondContact O-N 2.9Å; M171-I174 VanDerWaalsContact O-N 3.15Å; M171-H175 PolarHBondContact O-N 3.3Å; M171-L190 HydrophobicContact CB-CD1 3.83Å; M171-L190 HydrophobicContact CB-CD2 4.16Å; M171-L190 WeakPolarHBondContact O-CD2 3.44Å |
| 172 | T | 89.6 | Confident | 90 | Very high | 32 Ų | 32 | 91 Ų | 91 | 20% | 0.196 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -67.2 | -15.5 | 176.9 | 51.8 | 0 | 0 | 0 | 0 | 113.9 | A168 S169 F170 T177 L190 | A168-T172 VanDerWaalsContact O-CG2 3.28Å; A168-T172 WeakPolarHBondContact O-CG2 3.49Å; A168-T172 PolarHBondContact O-N 3.4Å; A168-T172 PolarHBondContact O-OG1 2.88Å; S169-T172 WeakPolarHBondContact CA-OG1 3.32Å; S169-T172 PolarHBondContact O-OG1 3.4Å; S169-T172 VanDerWaalsContact O-OG1 3.07Å; F170-T172 VanDerWaalsContact C-N 3.3Å; F170-T172 PolarHBondContact O-N 3.07Å; T172-T177 HydrophobicContact CG2-CG2 4.14Å; T172-T177 VanDerWaalsContact O-CG2 3.28Å; T172-T177 WeakPolarHBondContact O-CG2 3.17Å; T172-L190 HydrophobicContact CG2-CD2 4.06Å; T172-L190 HydrophobicContact CG2-CG 4.06Å |
| 173 | K | 88.8 | Confident | 89.4 | Confident | 177 Ų | 177 | 88.9 Ų | 88.9 | 77% | 0.77 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -86 | -23.5 | 172.9 | -70.4 | 173.1 | -178.1 | 178.7 | 0 | 113.4 | S169 F170 M171 | S169-K173 WeakPolarHBondContact O-CG 3.4Å; F170-K173 WeakPolarHBondContact O-CB 3.46Å; F170-K173 PolarHBondContact O-N 3.19Å; M171-K173 PolarHBondContact O-N 2.88Å |
| 174 | I | 91.1 | Very high | 88.8 | Confident | 100 Ų | 100 | 91.7 Ų | 91.7 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -103.1 | -39.8 | -172.2 | -63 | 175.5 | 0 | 0 | 0 | 111.8 | F170 M171 | F170-I174 HydrophobicContact CD1-CD1 3.94Å; F170-I174 HydrophobicContact CD2-CD1 4.17Å; F170-I174 HydrophobicContact CE1-CD1 3.33Å; F170-I174 HydrophobicContact CE2-CD1 3.59Å; F170-I174 HydrophobicContact CG-CD1 4.34Å; F170-I174 HydrophobicContact CZ-CD1 3.14Å; F170-I174 HydrophobicContact CZ-CG1 4.49Å; F170-I174 PolarHBondContact O-N 3.47Å; M171-I174 PolarHBondContact O-N 2.9Å; M171-I174 VanDerWaalsContact O-N 3.15Å |
| 175 | H | 89.1 | Confident | 88.2 | Confident | 94 Ų | 94 | 93.6 Ų | 93.6 | 44% | 0.435 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -95.4 | 158.2 | -174.5 | -69.8 | -68.4 | 0 | 0 | 0 | 112 | M171 T177 L190 | M171-H175 PolarHBondContact O-N 3.3Å; H175-T177 PolarHBondContact O-N 2.79Å; H175-L190 HydrophobicContact CB-CD2 3.78Å |
| 176 | P | 88.4 | Confident | 87.7 | Confident | 81 Ų | 81 | 95.5 Ų | 95.5 | 53% | 0.526 | 52% | 0.521 | S | S | . | . | trans | -60.1 | 128.7 | 174.2 | 24.8 | -34 | 0 | 0 | 0 | 110.9 | L191 | P176-L191 HydrophobicContact CB-CD1 4.35Å; P176-L191 PolarHBondContact O-N 2.87Å | ||
| 177 | T | 89.2 | Confident | 87.3 | Confident | 43 Ų | 43 | 95.5 Ų | 95.5 | 26% | 0.264 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 146.9 | -178.5 | 56.1 | 0 | 0 | 0 | 0 | 112.3 | T172 H175 R188 V189 L190 | T172-T177 HydrophobicContact CG2-CG2 4.14Å; T172-T177 VanDerWaalsContact O-CG2 3.28Å; T172-T177 WeakPolarHBondContact O-CG2 3.17Å; H175-T177 PolarHBondContact O-N 2.79Å; T177-R188 HydrophobicContact CG2-CB 4.29Å; T177-V189 CarbonylContact C-O 3.48Å; T177-V189 WeakPolarHBondContact CA-O 3.48Å; T177-V189 WeakPolarHBondContact CB-O 2.93Å; T177-L190 HydrophobicContact CG2-CD2 4.22Å |
| 178 | V | 87.2 | Confident | 86.8 | Confident | 73 Ų | 73 | 98.7 Ų | 98.7 | 44% | 0.442 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 130.1 | 163.8 | -174.2 | 0 | 0 | 0 | 0 | 108.5 | V189 L191 | V178-V189 PolarHBondContact N-O 3.48Å; V178-V189 PolarHBondContact O-N 3.42Å; V178-L191 HydrophobicContact CB-CD1 4.48Å; V178-L191 HydrophobicContact CG2-CD1 3.27Å; V178-L191 HydrophobicContact CG2-CD2 4.36Å; V178-L191 HydrophobicContact CG2-CG 3.6Å |
| 179 | G | 86.2 | Confident | 86.6 | Confident | 50 Ų | 50 | 99.6 Ų | 99.6 | 52% | 0.515 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 120.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 180 | I | 85.7 | Confident | 86.4 | Confident | 85 Ų | 85 | 100.3 Ų | 100.3 | 44% | 0.436 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 121 | 166.2 | -53.6 | -179.5 | 0 | 0 | 0 | 106.1 | T187 V189 | I180-T187 PolarHBondContact N-O 2.89Å; I180-T187 PolarHBondContact O-N 2.78Å; I180-T187 PolarHBondContact O-OG1 2.87Å; I180-V189 HydrophobicContact CD1-CB 4.34Å; I180-V189 HydrophobicContact CD1-CG2 3.72Å; I180-V189 HydrophobicContact CG1-CG2 4.1Å |
| 181 | R | 84.7 | Confident | 85.7 | Confident | 167 Ų | 167 | 99.3 Ų | 99.3 | 63% | 0.63 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 120.1 | 178 | -168.2 | -179.7 | -71.5 | 128.5 | -11.1 | 109 | G183 E186 | R181-G183 WeakPolarHBondContact CG-O 3.5Å; R181-E186 HydrophobicContact CB-CG 4.36Å; R181-E186 HydrophobicContact CG-CG 4.07Å; R181-E186 IonicContact CZ-OE1 3.23Å; R181-E186 VanDerWaalsContact CZ-OE1 3.23Å; R181-E186 IonicContact NE-OE1 3.12Å; R181-E186 PolarHBondContact NE-OE1 3.33Å; R181-E186 VanDerWaalsContact NE-OE1 3.12Å; R181-E186 IonicContact NH2-OE1 2.62Å; R181-E186 PolarHBondContact NH2-OE1 2.87Å |
| 182 | M | 82.3 | Confident | 84.9 | Confident | 142 Ų | 142 | 101.3 Ų | 101.3 | 70% | 0.7 | 55% | 0.546 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 98.9 | 171.4 | -73.1 | -66.7 | -143 | 0 | 0 | 107.9 | N184 E185 | M182-N184 PolarHBondContact O-N 3.32Å; M182-E185 PolarHBondContact N-O 3.41Å; M182-E185 PolarHBondContact O-N 2.94Å |
| 183 | G | 82.9 | Confident | 84 | Confident | 62 Ų | 62 | 105.1 Ų | 105.1 | 64% | 0.639 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.7 | -126.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R181 | R181-G183 WeakPolarHBondContact CG-O 3.5Š|
| 184 | N | 82.2 | Confident | 83.2 | Confident | 174 Ų | 174 | 101.3 Ų | 101.3 | 93% | 0.93 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -5 | 178.7 | -70.1 | -6.4 | 0 | 0 | 0 | 113.2 | M182 | M182-N184 PolarHBondContact O-N 3.32Š|
| 185 | E | 81.1 | Confident | 82.5 | Confident | 153 Ų | 153 | 101.2 Ų | 101.2 | 72% | 0.715 | 57% | 0.571 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.2 | 125.9 | -178.6 | -64.3 | -178.6 | -178.1 | 0 | 0 | 110.4 | M182 | M182-E185 PolarHBondContact N-O 3.41Å; M182-E185 PolarHBondContact O-N 2.94Å |
| 186 | E | 81.2 | Confident | 82.2 | Confident | 117 Ų | 117 | 106 Ų | 106 | 55% | 0.547 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.6 | 110.2 | 171.6 | -74.4 | -177 | -168.7 | 0 | 0 | 109.8 | R181 | R181-E186 HydrophobicContact CB-CG 4.36Å; R181-E186 HydrophobicContact CG-CG 4.07Å; R181-E186 IonicContact CZ-OE1 3.23Å; R181-E186 VanDerWaalsContact CZ-OE1 3.23Å; R181-E186 IonicContact NE-OE1 3.12Å; R181-E186 PolarHBondContact NE-OE1 3.33Å; R181-E186 VanDerWaalsContact NE-OE1 3.12Å; R181-E186 IonicContact NH2-OE1 2.62Å; R181-E186 PolarHBondContact NH2-OE1 2.87Å |
| 187 | T | 84.9 | Confident | 82.1 | Confident | 80 Ų | 80 | 106.4 Ų | 106.4 | 49% | 0.491 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.4 | 124.9 | 173 | 5.2 | 0 | 0 | 0 | 0 | 109.3 | I180 | I180-T187 PolarHBondContact N-O 2.89Å; I180-T187 PolarHBondContact O-N 2.78Å; I180-T187 PolarHBondContact O-OG1 2.87Å |
| 188 | R | 82.7 | Confident | 81.8 | Confident | 165 Ų | 165 | 108.4 Ų | 108.4 | 62% | 0.623 | 61% | 0.605 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.8 | 126.8 | 175.9 | -68.1 | -174.5 | -178.6 | 171.6 | 1 | 109.9 | T177 | T177-R188 HydrophobicContact CG2-CB 4.29Å |
| 189 | V | 85.9 | Confident | 81.8 | Confident | 69 Ų | 69 | 111.7 Ų | 111.7 | 42% | 0.418 | 61% | 0.611 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.8 | 142.2 | 178.7 | -173.5 | 0 | 0 | 0 | 0 | 109.1 | T177 V178 I180 | T177-V189 CarbonylContact C-O 3.48Å; T177-V189 WeakPolarHBondContact CA-O 3.48Å; T177-V189 WeakPolarHBondContact CB-O 2.93Å; V178-V189 PolarHBondContact N-O 3.48Å; V178-V189 PolarHBondContact O-N 3.42Å; I180-V189 HydrophobicContact CD1-CB 4.34Å; I180-V189 HydrophobicContact CD1-CG2 3.72Å; I180-V189 HydrophobicContact CG1-CG2 4.1Å |
| 190 | L | 85.7 | Confident | 81.8 | Confident | 74 Ų | 74 | 112.5 Ų | 112.5 | 39% | 0.387 | 61% | 0.605 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -65.9 | 134.5 | 178.1 | -66.6 | 170.9 | 0 | 0 | 0 | 111.1 | M171 T172 H175 T177 | M171-L190 HydrophobicContact CB-CD1 3.83Å; M171-L190 HydrophobicContact CB-CD2 4.16Å; M171-L190 WeakPolarHBondContact O-CD2 3.44Å; T172-L190 HydrophobicContact CG2-CD2 4.06Å; T172-L190 HydrophobicContact CG2-CG 4.06Å; H175-L190 HydrophobicContact CB-CD2 3.78Å; T177-L190 HydrophobicContact CG2-CD2 4.22Å |
| 191 | L | 78.6 | Confident | 81.6 | Confident | 90 Ų | 90 | 110.7 Ų | 110.7 | 47% | 0.471 | 60% | 0.6 | S | S | . | * | P | Polyproline II helix | trans | -71.6 | 127.9 | 163.8 | -95.1 | 118 | 0 | 0 | 0 | 109.3 | P176 V178 V193 | P176-L191 HydrophobicContact CB-CD1 4.35Å; P176-L191 PolarHBondContact O-N 2.87Å; V178-L191 HydrophobicContact CB-CD1 4.48Å; V178-L191 HydrophobicContact CG2-CD1 3.27Å; V178-L191 HydrophobicContact CG2-CD2 4.36Å; V178-L191 HydrophobicContact CG2-CG 3.6Å; L191-V193 PolarHBondContact O-N 2.93Å |
| 192 | A | 74.5 | Confident | 81.5 | Confident | 100 Ų | 100 | 106.8 Ų | 106.8 | 83% | 0.826 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 121.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 193 | V | 72.2 | Confident | 81.7 | Confident | 111 Ų | 111 | 106.5 Ų | 106.5 | 67% | 0.673 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 126.5 | 170.4 | 179.8 | 0 | 0 | 0 | 0 | 107.6 | L191 D195 | L191-V193 PolarHBondContact O-N 2.93Å; V193-D195 PolarHBondContact O-N 3.19Å |
| 194 | A | 71.7 | Confident | 81.6 | Confident | 98 Ų | 98 | 107.3 Ų | 107.3 | 81% | 0.81 | 59% | 0.593 | S | S | * | * | trans | -72.1 | 108 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 195 | D | 76.9 | Confident | 81.5 | Confident | 97 Ų | 97 | 102.3 Ų | 102.3 | 52% | 0.519 | 57% | 0.57 | S | S | . | * | trans | -70.8 | 144 | 168.6 | -77.2 | -17.8 | 0 | 0 | 0 | 110.1 | V193 L197 | V193-D195 PolarHBondContact O-N 3.19Å; D195-L197 PolarHBondContact O-N 3.18Å; D195-L197 VanDerWaalsContact O-N 3.17Å | ||
| 196 | Q | 82.3 | Confident | 81 | Confident | 195 Ų | 195 | 106 Ų | 106 | 91% | 0.911 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -61.2 | -24.7 | 177.2 | -68.6 | -177.4 | -11 | 0 | 0 | 112.9 | ||
| 197 | L | 85.5 | Confident | 80.1 | Confident | 90 Ų | 90 | 103.9 Ų | 103.9 | 47% | 0.471 | 58% | 0.576 | S | S | . | * | trans | -134.1 | 75.9 | -176.9 | -59.9 | 174.1 | 0 | 0 | 0 | 110.7 | D195 Y199 V200 | D195-L197 PolarHBondContact O-N 3.18Å; D195-L197 VanDerWaalsContact O-N 3.17Å; L197-Y199 HydrophobicContact CB-CE1 4.2Å; L197-Y199 HydrophobicContact CD2-CE1 3.82Å; L197-Y199 PolarHBondContact O-N 3.03Å; L197-V200 HydrophobicContact CB-CB 4.4Å; L197-V200 HydrophobicContact CB-CG2 3.86Å; L197-V200 HydrophobicContact CD1-CG2 4.36Å; L197-V200 PolarHBondContact O-N 3.29Å; L197-V200 VanDerWaalsContact O-N 3.12Å | ||
| 198 | P | 83.6 | Confident | 78.8 | Confident | 85 Ų | 85 | 104.9 Ų | 104.9 | 55% | 0.552 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.5 | -27.2 | -171.8 | 25.5 | -35 | 0 | 0 | 0 | 113.5 | V200 S201 A202 | P198-V200 VanDerWaalsContact C-N 3.3Å; P198-V200 PolarHBondContact O-N 3.49Å; P198-S201 PolarHBondContact O-OG 2.88Å; P198-A202 WeakPolarHBondContact O-CB 3.49Å; P198-A202 PolarHBondContact O-N 3.16Å |
| 199 | Y | 87.2 | Confident | 77.5 | Confident | 142 Ų | 142 | 103.3 Ų | 103.3 | 56% | 0.557 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -69 | -28.9 | 178.5 | 60.6 | -92.2 | 0 | 0 | 0 | 112.3 | L197 L203 | L197-Y199 HydrophobicContact CB-CE1 4.2Å; L197-Y199 HydrophobicContact CD2-CE1 3.82Å; L197-Y199 PolarHBondContact O-N 3.03Å; Y199-L203 VanDerWaalsContact O-CB 3.29Å; Y199-L203 WeakPolarHBondContact O-CB 3.35Å; Y199-L203 WeakPolarHBondContact O-CD1 3.4Å; Y199-L203 WeakPolarHBondContact O-CG 3.33Å; Y199-L203 PolarHBondContact O-N 3.37Å; Y199-L203 VanDerWaalsContact O-N 3.07Å |
| 200 | V | 85.3 | Confident | 75.9 | Confident | 67 Ų | 67 | 102.7 Ų | 102.7 | 41% | 0.406 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.3 | -49.1 | 179.7 | 179.5 | 0 | 0 | 0 | 0 | 109.9 | L197 P198 A202 L203 L204 | L197-V200 HydrophobicContact CB-CB 4.4Å; L197-V200 HydrophobicContact CB-CG2 3.86Å; L197-V200 HydrophobicContact CD1-CG2 4.36Å; L197-V200 PolarHBondContact O-N 3.29Å; L197-V200 VanDerWaalsContact O-N 3.12Å; P198-V200 VanDerWaalsContact C-N 3.3Å; P198-V200 PolarHBondContact O-N 3.49Å; V200-A202 VanDerWaalsContact C-N 3.33Å; V200-A202 PolarHBondContact O-N 2.91Å; V200-L203 PolarHBondContact O-N 3.49Å; V200-L204 WeakPolarHBondContact O-CG 3.39Å; V200-L204 PolarHBondContact O-N 3Å |
| 201 | S | 81.5 | Confident | 74.1 | Confident | 47 Ų | 47 | 103.4 Ų | 103.4 | 33% | 0.329 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68.2 | -31.4 | -178.6 | 59.4 | 0 | 0 | 0 | 0 | 113.1 | P198 | P198-S201 PolarHBondContact O-OG 2.88Å |
| 202 | A | 83.7 | Confident | 72.7 | Confident | 84 Ų | 84 | 106.9 Ų | 106.9 | 69% | 0.694 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -73.8 | -31.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | P198 V200 | P198-A202 WeakPolarHBondContact O-CB 3.49Å; P198-A202 PolarHBondContact O-N 3.16Å; V200-A202 VanDerWaalsContact C-N 3.33Å; V200-A202 PolarHBondContact O-N 2.91Å |
| 203 | L | 86.2 | Confident | 71.7 | Confident | 137 Ų | 137 | 110 Ų | 110 | 72% | 0.717 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -85.1 | -11.3 | 179.6 | -70.2 | 172 | 0 | 0 | 0 | 113.5 | Y199 V200 P205 | Y199-L203 VanDerWaalsContact O-CB 3.29Å; Y199-L203 WeakPolarHBondContact O-CB 3.35Å; Y199-L203 WeakPolarHBondContact O-CD1 3.4Å; Y199-L203 WeakPolarHBondContact O-CG 3.33Å; Y199-L203 PolarHBondContact O-N 3.37Å; Y199-L203 VanDerWaalsContact O-N 3.07Å; V200-L203 PolarHBondContact O-N 3.49Å; L203-P205 VanDerWaalsContact O-CD 3.27Å; L203-P205 WeakPolarHBondContact O-CD 3.49Å |
| 204 | L | 81.4 | Confident | 70.7 | Confident | 79 Ų | 79 | 106.8 Ų | 106.8 | 41% | 0.414 | 57% | 0.573 | S | S | . | * | S | Bend | trans | -66 | 122.2 | 177.2 | -78 | 170.2 | 0 | 0 | 0 | 110.9 | V200 R206 L208 | V200-L204 WeakPolarHBondContact O-CG 3.39Å; V200-L204 PolarHBondContact O-N 3Å; L204-R206 PolarHBondContact O-N 3.36Å; L204-L208 HydrophobicContact CD2-CD1 4.08Å |
| 205 | P | 79.6 | Confident | 69.4 | Low | 68 Ų | 68 | 110.2 Ų | 110.2 | 44% | 0.442 | 57% | 0.572 | S | S | . | * | trans | -52.6 | 131.6 | 169 | -25.3 | 31.6 | 0 | 0 | 0 | 110.8 | L203 S207 L208 | L203-P205 VanDerWaalsContact O-CD 3.27Å; L203-P205 WeakPolarHBondContact O-CD 3.49Å; P205-S207 VanDerWaalsContact CB-OG 3.31Å; P205-S207 WeakPolarHBondContact CB-OG 3.19Å; P205-S207 PolarHBondContact O-N 3.02Å; P205-L208 HydrophobicContact CB-CG 4.44Å; P205-L208 HydrophobicContact CG-CD1 4.14Å; P205-L208 HydrophobicContact CG-CG 4.5Å; P205-L208 PolarHBondContact O-N 2.92Å | ||
| 206 | R | 70.3 | Confident | 68.1 | Low | 231 Ų | 231 | 110.1 Ų | 110.1 | 87% | 0.872 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -54.3 | -28.2 | 173.3 | -64.1 | -178.3 | -177.3 | 174.1 | -0.3 | 111.8 | L204 L208 K209 A210 | L204-R206 PolarHBondContact O-N 3.36Å; R206-L208 PolarHBondContact O-N 3.47Å; R206-K209 PolarHBondContact O-N 2.89Å; R206-A210 PolarHBondContact O-N 3.41Å |
| 207 | S | 61.9 | Low | 66.5 | Low | 73 Ų | 73 | 106.8 Ų | 106.8 | 51% | 0.51 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.5 | -34.6 | 175.9 | 55.7 | 0 | 0 | 0 | 0 | 113.7 | P205 K209 A210 T211 | P205-S207 VanDerWaalsContact CB-OG 3.31Å; P205-S207 WeakPolarHBondContact CB-OG 3.19Å; P205-S207 PolarHBondContact O-N 3.02Å; S207-K209 VanDerWaalsContact C-N 3.31Å; S207-K209 PolarHBondContact O-N 3.02Å; S207-A210 PolarHBondContact O-N 2.96Å; S207-T211 PolarHBondContact O-N 3.43Å; S207-T211 PolarHBondContact O-OG1 3.5Å |
| 208 | L | 57.4 | Low | 64.7 | Low | 101 Ų | 101 | 110.3 Ų | 110.3 | 53% | 0.529 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.9 | -33.4 | 178.6 | -75.3 | 172.3 | 0 | 0 | 0 | 111.9 | L204 P205 R206 | L204-L208 HydrophobicContact CD2-CD1 4.08Å; P205-L208 HydrophobicContact CB-CG 4.44Å; P205-L208 HydrophobicContact CG-CD1 4.14Å; P205-L208 HydrophobicContact CG-CG 4.5Å; P205-L208 PolarHBondContact O-N 2.92Å; R206-L208 PolarHBondContact O-N 3.47Å |
| 209 | K | 55.7 | Low | 62.7 | Low | 132 Ų | 132 | 109.7 Ų | 109.7 | 57% | 0.574 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -73 | -37.6 | 173.8 | -66 | -173.4 | 179.2 | -177.8 | 0 | 112 | R206 S207 Y213 | R206-K209 PolarHBondContact O-N 2.89Å; S207-K209 VanDerWaalsContact C-N 3.31Å; S207-K209 PolarHBondContact O-N 3.02Å; K209-Y213 WeakPolarHBondContact O-CD2 3.34Å |
| 210 | A | 52.5 | Low | 60.8 | Low | 56 Ų | 56 | 108.7 Ų | 108.7 | 46% | 0.463 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -71.1 | -30.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R206 S207 Q212 Y213 S214 | R206-A210 PolarHBondContact O-N 3.41Å; S207-A210 PolarHBondContact O-N 2.96Å; A210-Q212 VanDerWaalsContact C-N 3.26Å; A210-Q212 PolarHBondContact O-N 3.19Å; A210-Y213 PolarHBondContact O-N 2.87Å; A210-S214 VanDerWaalsContact O-CB 3.31Å; A210-S214 WeakPolarHBondContact O-CB 3.42Å; A210-S214 PolarHBondContact O-N 3.27Å; A210-S214 PolarHBondContact O-OG 3.11Å |
| 211 | T | 49.1 | Very low | 58.9 | Low | 88 Ų | 88 | 113.5 Ų | 113.5 | 54% | 0.54 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.3 | -29.2 | -173.9 | -46.2 | 0 | 0 | 0 | 0 | 112.2 | S207 S214 | S207-T211 PolarHBondContact O-N 3.43Å; S207-T211 PolarHBondContact O-OG1 3.5Å; T211-S214 PolarHBondContact O-OG 2.88Å |
| 212 | Q | 48.9 | Very low | 57.1 | Low | 163 Ų | 163 | 115.1 Ų | 115.1 | 76% | 0.762 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -21.4 | 179.4 | -68.6 | -173.6 | -17.5 | 0 | 0 | 114.5 | A210 | A210-Q212 VanDerWaalsContact C-N 3.26Å; A210-Q212 PolarHBondContact O-N 3.19Å |
| 213 | Y | 52.3 | Low | 55.3 | Low | 166 Ų | 166 | 116.4 Ų | 116.4 | 65% | 0.651 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | -17.8 | -179 | -64.8 | -78.2 | 0 | 0 | 0 | 113.3 | K209 A210 E215 T216 | K209-Y213 WeakPolarHBondContact O-CD2 3.34Å; A210-Y213 PolarHBondContact O-N 2.87Å; Y213-E215 PolarHBondContact O-N 2.76Å; Y213-T216 PolarHBondContact O-N 3.07Å; Y213-T216 PolarHBondContact O-OG1 2.83Å |
| 214 | S | 51 | Low | 53.3 | Low | 44 Ų | 44 | 117.4 Ų | 117.4 | 31% | 0.308 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -70.5 | -10.5 | -173.4 | 68.8 | 0 | 0 | 0 | 0 | 115.8 | A210 T211 | A210-S214 VanDerWaalsContact O-CB 3.31Å; A210-S214 WeakPolarHBondContact O-CB 3.42Å; A210-S214 PolarHBondContact O-N 3.27Å; A210-S214 PolarHBondContact O-OG 3.11Å; T211-S214 PolarHBondContact O-OG 2.88Å |
| 215 | E | 46.2 | Very low | 51.7 | Low | 169 Ų | 169 | 117 Ų | 117 | 79% | 0.79 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -79.7 | -24.6 | 177.2 | -69.3 | -175 | 167 | 0 | 0 | 112.6 | Y213 | Y213-E215 PolarHBondContact O-N 2.76Å |
| 216 | T | 49 | Very low | 50.3 | Low | 96 Ų | 96 | 118.8 Ų | 118.8 | 59% | 0.589 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -89.3 | -19.3 | -177.9 | 22.3 | 0 | 0 | 0 | 0 | 115.1 | Y213 S219 | Y213-T216 PolarHBondContact O-N 3.07Å; Y213-T216 PolarHBondContact O-OG1 2.83Å; T216-S219 PolarHBondContact O-OG 2.71Å |
| 217 | E | 49 | Very low | 49.2 | Very low | 124 Ų | 124 | 116.3 Ų | 116.3 | 58% | 0.579 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -88.7 | -25.7 | -179.5 | -68.2 | -173.9 | 156.3 | 0 | 0 | 113 | S219 N220 | E217-S219 PolarHBondContact O-N 3.04Å; E217-N220 PolarHBondContact O-N 3.12Å |
| 218 | K | 46.9 | Very low | 48.6 | Very low | 165 Ų | 165 | 119.3 Ų | 119.3 | 72% | 0.717 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -17.7 | -179.8 | -73.4 | 179.4 | -179.6 | 172.7 | 0 | 114 | ||
| 219 | S | 41.3 | Very low | 48 | Very low | 72 Ų | 72 | 123.1 Ų | 123.1 | 50% | 0.503 | 64% | 0.64 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.5 | -19.4 | 178.4 | 59.2 | 0 | 0 | 0 | 0 | 113.9 | T216 E217 | T216-S219 PolarHBondContact O-OG 2.71Å; E217-S219 PolarHBondContact O-N 3.04Å |
| 220 | N | 46.6 | Very low | 47.5 | Very low | 121 Ų | 121 | 121.6 Ų | 121.6 | 65% | 0.647 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.1 | -11 | -168.2 | -62 | -7.6 | 0 | 0 | 0 | 113.7 | E217 T223 | E217-N220 PolarHBondContact O-N 3.12Å; N220-T223 PolarHBondContact O-OG1 2.86Å |
| 221 | E | 46.2 | Very low | 47.2 | Very low | 167 Ų | 167 | 124.4 Ų | 124.4 | 78% | 0.78 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -90 | -9.3 | 173.8 | -100 | 178.4 | 160 | 0 | 0 | 113.9 | ||
| 222 | A | 43.6 | Very low | 46.9 | Very low | 81 Ų | 81 | 126.2 Ų | 126.2 | 67% | 0.669 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -88.3 | 1.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 223 | T | 45.4 | Very low | 46.3 | Very low | 112 Ų | 112 | 125.6 Ų | 125.6 | 69% | 0.687 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -103.3 | 7.2 | -165.3 | 29.7 | 0 | 0 | 0 | 0 | 116.7 | N220 | N220-T223 PolarHBondContact O-OG1 2.86Š|
| 224 | D | 44.2 | Very low | 45.7 | Very low | 157 Ų | 157 | 122.7 Ų | 122.7 | 84% | 0.84 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -139.7 | 9.2 | 179.4 | -130.4 | 4.8 | 0 | 0 | 0 | 115.8 | ||
| 225 | N | 47.6 | Very low | 45 | Very low | 70 Ų | 70 | 127.1 Ų | 127.1 | 37% | 0.374 | 70% | 0.696 | S | S | . | * | trans | -153.7 | 108.5 | 171.1 | -117.4 | -28.6 | 0 | 0 | 0 | 112.4 | F227 I228 | N225-F227 PolarHBondContact O-N 2.85Å; N225-I228 HydrophobicContact CB-CD1 4.23Å; N225-I228 HydrophobicContact CB-CG1 4.33Å; N225-I228 PolarHBondContact O-N 2.98Å | ||
| 226 | P | 50.3 | Low | 44.6 | Very low | 107 Ų | 107 | 122.7 Ų | 122.7 | 70% | 0.695 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -2.1 | -177 | 27.2 | -33.4 | 0 | 0 | 0 | 114.5 | ||
| 227 | F | 48.4 | Very low | 44.2 | Very low | 178 Ų | 178 | 123.9 Ų | 123.9 | 78% | 0.781 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | -8.5 | -175.7 | -60 | -71.8 | 0 | 0 | 0 | 114.7 | N225 K229 | N225-F227 PolarHBondContact O-N 2.85Å; F227-K229 PolarHBondContact O-N 2.62Å |
| 228 | I | 48.5 | Very low | 43.7 | Very low | 137 Ų | 137 | 121.6 Ų | 121.6 | 70% | 0.703 | 72% | 0.717 | S | S | * | * | trans | -96.1 | 69.6 | 176.3 | -52.2 | 177 | 0 | 0 | 0 | 108.3 | N225 | N225-I228 HydrophobicContact CB-CD1 4.23Å; N225-I228 HydrophobicContact CB-CG1 4.33Å; N225-I228 PolarHBondContact O-N 2.98Å | ||
| 229 | K | 44.6 | Very low | 43.2 | Very low | 181 Ų | 181 | 124.9 Ų | 124.9 | 79% | 0.787 | 73% | 0.725 | S | S | * | * | trans | -78.3 | 117.8 | 158 | -75.3 | -176.6 | 180 | 179 | 0 | 106.6 | F227 V231 | F227-K229 PolarHBondContact O-N 2.62Å; K229-V231 PolarHBondContact O-N 3.12Å | ||
| 230 | S | 46.6 | Very low | 43.1 | Very low | 100 Ų | 100 | 133.1 Ų | 133.1 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | trans | -55.7 | 110.2 | 171.4 | 44.9 | 0 | 0 | 0 | 0 | 108.9 | V232 | S230-V232 VanDerWaalsContact C-N 3.27Å; S230-V232 PolarHBondContact O-N 3.42Å | ||
| 231 | V | 46.2 | Very low | 42.6 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 70% | 0.697 | 75% | 0.753 | S | S | * | * | trans | -71.4 | 92.2 | 169.6 | 178.4 | 0 | 0 | 0 | 0 | 106.3 | K229 M233 | K229-V231 PolarHBondContact O-N 3.12Å; V231-M233 HydrophobicContact CG1-CE 3.65Å; V231-M233 HydrophobicContact CG1-CG 4.28Å; V231-M233 PolarHBondContact O-N 3.03Å; V231-M233 VanDerWaalsContact O-N 3.12Å | ||
| 232 | V | 41.5 | Very low | 42.5 | Very low | 125 Ų | 125 | 130.3 Ų | 130.3 | 76% | 0.758 | 75% | 0.752 | S | S | * | * | trans | -70.6 | 100.1 | 167.8 | 178.7 | 0 | 0 | 0 | 0 | 106.9 | S230 | S230-V232 VanDerWaalsContact C-N 3.27Å; S230-V232 PolarHBondContact O-N 3.42Å | ||
| 233 | M | 36.8 | Very low | 42.2 | Very low | 151 Ų | 151 | 134.6 Ų | 134.6 | 74% | 0.744 | 76% | 0.764 | S | S | * | * | trans | -72.3 | 129.1 | 170 | -78.7 | -87.1 | 134.4 | 0 | 0 | 109.1 | V231 | V231-M233 HydrophobicContact CG1-CE 3.65Å; V231-M233 HydrophobicContact CG1-CG 4.28Å; V231-M233 PolarHBondContact O-N 3.03Å; V231-M233 VanDerWaalsContact O-N 3.12Å | ||
| 234 | P | 40 | Very low | 42.2 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | trans | -67.9 | 147.3 | 178.2 | 27.5 | -32.4 | 0 | 0 | 0 | 110.9 | G236 | P234-G236 PolarHBondContact O-N 3.3Š| ||
| 235 | P | 35.9 | Very low | 42.1 | Very low | 138 Ų | 138 | 130.8 Ų | 130.8 | 90% | 0.896 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -77 | 115.7 | 178.7 | 31.9 | -29.6 | 0 | 0 | 0 | 108.6 | ||
| 236 | G | 38.7 | Very low | 42 | Very low | 75 Ų | 75 | 135 Ų | 135 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | 131.3 | 93.2 | 164 | 0 | 0 | 0 | 0 | 0 | 115.2 | P234 | P234-G236 PolarHBondContact O-N 3.3Š| ||
| 237 | S | 39.5 | Very low | 41.6 | Very low | 121 Ų | 121 | 134.4 Ų | 134.4 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | -159.1 | 117.3 | 123.8 | 49.1 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 238 | G | 38.9 | Very low | 41.4 | Very low | 77 Ų | 77 | 137.4 Ų | 137.4 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | -62.4 | 143.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R240 | G238-R240 PolarHBondContact O-N 3.43Š| ||
| 239 | R | 36.3 | Very low | 41.1 | Very low | 234 Ų | 234 | 137.4 Ų | 137.4 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | trans | -42.3 | 130.6 | 164.7 | -68 | 175.7 | -177.5 | -179.2 | -0.7 | 111.3 | ||||
| 240 | R | 38.5 | Very low | 40.9 | Very low | 244 Ų | 244 | 135.1 Ų | 135.1 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | trans | -119.8 | 101.6 | 137 | -87.2 | -171.2 | -173.1 | -173.8 | 3.1 | 108.1 | G238 | G238-R240 PolarHBondContact O-N 3.43Š| ||
| 241 | C | 36.7 | Very low | 40.5 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -70.8 | 119.4 | 154.2 | -66.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 242 | S | 45.3 | Very low | 40.2 | Very low | 108 Ų | 108 | 138.4 Ų | 138.4 | 76% | 0.755 | 83% | 0.832 | S | S | * | * | trans | -116.9 | 109 | 156.6 | 53.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 243 | N | 35.9 | Very low | 40.1 | Very low | 172 Ų | 172 | 139.2 Ų | 139.2 | 92% | 0.92 | 84% | 0.837 | S | S | * | * | trans | -89.5 | 113.3 | 174.5 | -153.8 | 25.1 | 0 | 0 | 0 | 107.2 | ||||
| 244 | S | 46.7 | Very low | 40.4 | Very low | 113 Ų | 113 | 138.4 Ų | 138.4 | 79% | 0.79 | 84% | 0.843 | S | S | * | * | trans | -175.1 | 132.1 | 167.1 | 57.6 | 0 | 0 | 0 | 0 | 106 | ||||
| 245 | G | 41.7 | Very low | 40.4 | Very low | 76 Ų | 76 | 140.9 Ų | 140.9 | 78% | 0.784 | 86% | 0.855 | S | S | * | * | cis | -177.8 | 165 | 7.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 246 | N | 44.3 | Very low | 40.7 | Very low | 158 Ų | 158 | 141.1 Ų | 141.1 | 85% | 0.845 | 85% | 0.852 | S | S | * | * | trans | -44 | 162.1 | -175 | -140.1 | 5.2 | 0 | 0 | 0 | 119 | ||||
| 247 | S | 42.5 | Very low | 40.9 | Very low | 95 Ų | 95 | 146.6 Ų | 146.6 | 66% | 0.664 | 86% | 0.859 | S | S | * | * | trans | 71.6 | 106.7 | 148.8 | 61.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 248 | N | 44.3 | Very low | 41 | Very low | 240 Ų | 240 | 148.9 Ų | 148.9 | 100% | 1.283 | 86% | 0.86 | S | S | * | * | -147.5 | 0 | 100 | -94.5 | -15.7 | 0 | 0 | 0 | 109.9 |
Retrieved 248 of 248 residues in 160.2 ms
(Link to these results)