| 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 | 35.5 | Very low | 37.8 | Very low | 237 Ų | 237 | 147.9 Ų | 147.9 | 100% | 1.167 | 77% | 0.768 | S | S | * | * | 0 | 87.3 | 0 | -78.3 | 179.4 | 166.2 | 0 | 0 | 107.7 | |||||
| 2 | A | 32 | Very low | 38.6 | Very low | 99 Ų | 99 | 140 Ų | 140 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | -90.3 | 121.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | L4 | A2-L4 PolarHBondContact O-N 3.46Š| ||
| 3 | Y | 30.9 | Very low | 39.2 | Very low | 220 Ų | 220 | 132.6 Ų | 132.6 | 86% | 0.863 | 70% | 0.701 | S | S | * | * | trans | -67.3 | 116.2 | 176.7 | -73.9 | -96 | 0 | 0 | 0 | 109 | T5 | Y3-T5 PolarHBondContact O-N 3.1Å; Y3-T5 VanDerWaalsContact O-N 3.11Å | ||
| 4 | L | 34.1 | Very low | 39.8 | Very low | 154 Ų | 154 | 126.1 Ų | 126.1 | 81% | 0.806 | 68% | 0.676 | S | S | * | * | trans | -70.3 | 98.2 | 163.3 | -71.4 | 168.7 | 0 | 0 | 0 | 107.2 | A2 E6 | A2-L4 PolarHBondContact O-N 3.46Å; L4-E6 PolarHBondContact O-N 3.29Å | ||
| 5 | T | 33.3 | Very low | 40.1 | Very low | 128 Ų | 128 | 121.3 Ų | 121.3 | 79% | 0.785 | 66% | 0.656 | S | S | * | * | trans | -61.1 | 114.3 | 165.6 | 38.8 | 0 | 0 | 0 | 0 | 108.8 | Y3 | Y3-T5 PolarHBondContact O-N 3.1Å; Y3-T5 VanDerWaalsContact O-N 3.11Å | ||
| 6 | E | 37.8 | Very low | 40.7 | Very low | 180 Ų | 180 | 121.5 Ų | 121.5 | 84% | 0.841 | 65% | 0.651 | S | S | * | * | trans | -53 | 125.5 | 167.5 | -67.1 | 178.5 | 148.3 | 0 | 0 | 109.2 | L4 N8 | L4-E6 PolarHBondContact O-N 3.29Å; E6-N8 PolarHBondContact O-N 3.34Å | ||
| 7 | P | 43.7 | Very low | 41.1 | Very low | 98 Ų | 98 | 115.1 Ų | 115.1 | 64% | 0.636 | 62% | 0.617 | S | S | * | * | trans | -75.2 | 112.6 | 171.2 | 29.2 | -28 | 0 | 0 | 0 | 107.5 | F9 | P7-F9 PolarHBondContact O-N 3.09Å; P7-F9 VanDerWaalsContact O-N 3.17Å | ||
| 8 | N | 37.6 | Very low | 41.4 | Very low | 144 Ų | 144 | 111.3 Ų | 111.3 | 77% | 0.77 | 60% | 0.6 | S | S | * | * | trans | -45.7 | 123.3 | 161.6 | -86.7 | -45.4 | 0 | 0 | 0 | 108.5 | E6 N10 | E6-N8 PolarHBondContact O-N 3.34Å; N8-N10 VanDerWaalsContact C-N 3.26Å; N8-N10 PolarHBondContact O-N 3.44Å | ||
| 9 | F | 44.6 | Very low | 41.8 | Very low | 88 Ų | 88 | 111.6 Ų | 111.6 | 39% | 0.386 | 60% | 0.6 | S | S | . | * | trans | -62.4 | 91.3 | 171.2 | -174.3 | -96.4 | 0 | 0 | 0 | 107.7 | P7 A14 | P7-F9 PolarHBondContact O-N 3.09Å; P7-F9 VanDerWaalsContact O-N 3.17Å; F9-A14 HydrophobicContact CE1-CB 4.06Å; F9-A14 HydrophobicContact CZ-CB 4.47Å | ||
| 10 | N | 41.7 | Very low | 42.1 | Very low | 102 Ų | 102 | 111 Ų | 111 | 55% | 0.545 | 60% | 0.597 | S | S | . | * | trans | -60.5 | 141.2 | -177.3 | -86.1 | -22.9 | 0 | 0 | 0 | 109.7 | N8 A12 D13 | N8-N10 VanDerWaalsContact C-N 3.26Å; N8-N10 PolarHBondContact O-N 3.44Å; N10-A12 HydrophobicContact CB-CB 4.16Å; N10-A12 PolarHBondContact O-N 3.29Å; N10-D13 VanDerWaalsContact O-CB 3.31Å; N10-D13 WeakPolarHBondContact O-CB 3.14Å; N10-D13 PolarHBondContact O-N 3.19Å | ||
| 11 | E | 44.3 | Very low | 42.4 | Very low | 177 Ų | 177 | 106.5 Ų | 106.5 | 83% | 0.827 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -57.6 | -19.5 | 172.8 | -143 | 159.5 | -171.6 | 0 | 0 | 112.3 | S15 | E11-S15 PolarHBondContact O-N 2.97Å; E11-S15 PolarHBondContact O-OG 3.3Å |
| 12 | A | 47.6 | Very low | 42.7 | Very low | 53 Ų | 53 | 98.4 Ų | 98.4 | 44% | 0.438 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.3 | -38.9 | 171 | 0 | 0 | 0 | 0 | 0 | 113.9 | N10 S15 H16 | N10-A12 HydrophobicContact CB-CB 4.16Å; N10-A12 PolarHBondContact O-N 3.29Å; A12-S15 WeakPolarHBondContact CA-OG 3.33Å; A12-S15 PolarHBondContact O-N 3.31Å; A12-S15 PolarHBondContact O-OG 3.49Å; A12-S15 VanDerWaalsContact O-OG 3.08Å; A12-H16 WeakPolarHBondContact O-CB 3.01Å; A12-H16 PolarHBondContact O-N 3.13Å |
| 13 | D | 47 | Very low | 43.2 | Very low | 44 Ų | 44 | 100.5 Ų | 100.5 | 24% | 0.235 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -67.3 | -44.8 | -179.2 | -96.3 | 19.7 | 0 | 0 | 0 | 109.8 | N10 S15 H16 C17 R130 H132 | N10-D13 VanDerWaalsContact O-CB 3.31Å; N10-D13 WeakPolarHBondContact O-CB 3.14Å; N10-D13 PolarHBondContact O-N 3.19Å; D13-S15 VanDerWaalsContact C-N 3.33Å; D13-S15 PolarHBondContact O-N 2.96Å; D13-H16 PolarHBondContact O-N 3.48Å; D13-C17 WeakPolarHBondContact O-CB 3.5Å; D13-C17 PolarHBondContact O-N 3.11Å; D13-R130 IonicContact OD2-NH1 3.71Å; D13-R130 IonicContact OD2-NH2 3.18Å; D13-R130 PolarHBondContact OD2-NH2 3.19Å; D13-H132 WeakPolarHBondContact CA-NE2 3.4Å; D13-H132 WeakPolarHBondContact CB-NE2 3.44Å; D13-H132 VanDerWaalsContact CG-CD2 3.47Å; D13-H132 PolarHBondContact O-CE1 3.23Å; D13-H132 PolarHBondContact O-NE2 3.31Å; D13-H132 VanDerWaalsContact O-NE2 3.12Å; D13-H132 IonicContact OD1-NE2 3.75Å; D13-H132 IonicContact OD2-CD2 3.14Å; D13-H132 PolarHBondContact OD2-CD2 3.17Å; D13-H132 VanDerWaalsContact OD2-CD2 3.32Å; D13-H132 IonicContact OD2-NE2 3.37Å; D13-H132 PolarHBondContact OD2-NE2 2.96Å |
| 14 | A | 46.7 | Very low | 44 | Very low | 42 Ų | 42 | 97.7 Ų | 97.7 | 35% | 0.347 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.7 | -36.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F9 T18 | F9-A14 HydrophobicContact CE1-CB 4.06Å; F9-A14 HydrophobicContact CZ-CB 4.47Å; A14-T18 WeakPolarHBondContact O-CG2 3.31Å; A14-T18 PolarHBondContact O-N 3.06Å; A14-T18 PolarHBondContact O-OG1 2.92Å |
| 15 | S | 44.9 | Very low | 44.4 | Very low | 53 Ų | 53 | 91.9 Ų | 91.9 | 37% | 0.371 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -75.7 | -34.5 | 178.9 | 33.7 | 0 | 0 | 0 | 0 | 112.7 | E11 A12 D13 T18 L19 | E11-S15 PolarHBondContact O-N 2.97Å; E11-S15 PolarHBondContact O-OG 3.3Å; A12-S15 WeakPolarHBondContact CA-OG 3.33Å; A12-S15 PolarHBondContact O-N 3.31Å; A12-S15 PolarHBondContact O-OG 3.49Å; A12-S15 VanDerWaalsContact O-OG 3.08Å; D13-S15 VanDerWaalsContact C-N 3.33Å; D13-S15 PolarHBondContact O-N 2.96Å; S15-T18 VanDerWaalsContact CA-OG1 3.3Å; S15-T18 WeakPolarHBondContact CA-OG1 3.48Å; S15-T18 PolarHBondContact O-N 3.08Å; S15-T18 PolarHBondContact O-OG1 3.38Å; S15-L19 PolarHBondContact O-N 2.67Å |
| 16 | H | 49.9 | Very low | 44.8 | Very low | 125 Ų | 125 | 91.4 Ų | 91.4 | 58% | 0.579 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.6 | -43 | 169.9 | -114.7 | -97.8 | 0 | 0 | 0 | 112.5 | A12 D13 T18 L19 N20 | A12-H16 WeakPolarHBondContact O-CB 3.01Å; A12-H16 PolarHBondContact O-N 3.13Å; D13-H16 PolarHBondContact O-N 3.48Å; H16-T18 VanDerWaalsContact C-N 3.31Å; H16-T18 PolarHBondContact O-N 3.42Å; H16-L19 PolarHBondContact O-N 3.29Å; H16-N20 PolarHBondContact O-N 3.21Å |
| 17 | C | 46.3 | Very low | 45 | Very low | 12 Ų | 12 | 92.1 Ų | 92.1 | 8% | 0.081 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -61 | -39.9 | 172.4 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | D13 F21 C133 | D13-C17 WeakPolarHBondContact O-CB 3.5Å; D13-C17 PolarHBondContact O-N 3.11Å; C17-F21 WeakPolarHBondContact O-CB 3.49Å; C17-F21 PolarHBondContact O-N 3.18Å; C17-C133 HydrophobicContact CB-CB 3.81Å; C17-C133 WeakPolarHBondContact CB-SG 3.4Å; C17-C133 VanDerWaalsContact SG-CA 3.53Å; C17-C133 WeakPolarHBondContact SG-CB 3.49Å; C17-C133 CovalentContact SG-SG 2.04Å; C17-C133 PolarHBondContact SG-SG 2.88Å |
| 18 | T | 48.1 | Very low | 45 | Very low | 48 Ų | 48 | 93.5 Ų | 93.5 | 29% | 0.294 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.9 | -34.6 | 173.7 | 56.8 | 0 | 0 | 0 | 0 | 113.8 | A14 S15 H16 C22 K80 | A14-T18 WeakPolarHBondContact O-CG2 3.31Å; A14-T18 PolarHBondContact O-N 3.06Å; A14-T18 PolarHBondContact O-OG1 2.92Å; S15-T18 VanDerWaalsContact CA-OG1 3.3Å; S15-T18 WeakPolarHBondContact CA-OG1 3.48Å; S15-T18 PolarHBondContact O-N 3.08Å; S15-T18 PolarHBondContact O-OG1 3.38Å; H16-T18 VanDerWaalsContact C-N 3.31Å; H16-T18 PolarHBondContact O-N 3.42Å; T18-C22 WeakPolarHBondContact O-CB 3.22Å; T18-C22 PolarHBondContact O-N 3.24Å; T18-K80 HydrophobicContact CG2-CG 4.31Å |
| 19 | L | 48.3 | Very low | 45.5 | Very low | 116 Ų | 116 | 90.8 Ų | 90.8 | 61% | 0.607 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -71.5 | -48.2 | -179.9 | -117.3 | 121.2 | 0 | 0 | 0 | 112 | S15 H16 C22 L23 | S15-L19 PolarHBondContact O-N 2.67Å; H16-L19 PolarHBondContact O-N 3.29Å; L19-C22 PolarHBondContact O-N 3.4Å; L19-L23 PolarHBondContact O-N 2.92Å; L19-L23 VanDerWaalsContact O-N 3.07Å |
| 20 | N | 47.4 | Very low | 45.8 | Very low | 100 Ų | 100 | 89.9 Ų | 89.9 | 54% | 0.535 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.7 | -37.4 | 177.3 | -82 | -13.8 | 0 | 0 | 0 | 111.9 | H16 F24 | H16-N20 PolarHBondContact O-N 3.21Å; N20-F24 PolarHBondContact O-N 3.48Å |
| 21 | F | 48.7 | Very low | 46.2 | Very low | 17 Ų | 17 | 95.8 Ų | 95.8 | 8% | 0.075 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -69.8 | -37.6 | 173.8 | -170.6 | -102.6 | 0 | 0 | 0 | 112.4 | C17 L23 F24 T25 I76 I135 | C17-F21 WeakPolarHBondContact O-CB 3.49Å; C17-F21 PolarHBondContact O-N 3.18Å; F21-L23 VanDerWaalsContact C-N 3.32Å; F21-L23 PolarHBondContact O-N 3.28Å; F21-F24 PolarHBondContact O-N 3.42Å; F21-F24 VanDerWaalsContact O-N 3.16Å; F21-T25 HydrophobicContact CD1-CG2 4.1Å; F21-T25 HydrophobicContact CE1-CG2 3.57Å; F21-T25 HydrophobicContact CE2-CG2 4.07Å; F21-T25 HydrophobicContact CZ-CG2 3.54Å; F21-T25 PolarHBondContact O-N 2.97Å; F21-T25 VanDerWaalsContact O-N 3.1Å; F21-T25 PolarHBondContact O-OG1 3Å; F21-I76 HydrophobicContact CE2-CD1 4.28Å; F21-I76 HydrophobicContact CZ-CD1 3.8Å; F21-I135 HydrophobicContact CD2-CG2 3.95Å; F21-I135 HydrophobicContact CE1-CG2 4.25Å; F21-I135 HydrophobicContact CE2-CB 4.4Å; F21-I135 HydrophobicContact CE2-CG2 3.35Å; F21-I135 HydrophobicContact CZ-CG2 3.53Å |
| 22 | C | 41.9 | Very low | 46.9 | Very low | 66 Ų | 66 | 90.3 Ų | 90.3 | 45% | 0.446 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.5 | -31.5 | 178.6 | -160.3 | 0 | 0 | 0 | 0 | 112.3 | T18 L19 F24 | T18-C22 WeakPolarHBondContact O-CB 3.22Å; T18-C22 PolarHBondContact O-N 3.24Å; L19-C22 PolarHBondContact O-N 3.4Å; C22-F24 VanDerWaalsContact C-N 3.31Å |
| 23 | L | 42.8 | Very low | 47.8 | Very low | 143 Ų | 143 | 90 Ų | 90 | 75% | 0.749 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65 | -32.3 | 171.8 | -93.3 | 162.3 | 0 | 0 | 0 | 113 | L19 F21 | L19-L23 PolarHBondContact O-N 2.92Å; L19-L23 VanDerWaalsContact O-N 3.07Å; F21-L23 VanDerWaalsContact C-N 3.32Å; F21-L23 PolarHBondContact O-N 3.28Å |
| 24 | F | 47.3 | Very low | 49 | Very low | 162 Ų | 162 | 93.4 Ų | 93.4 | 71% | 0.711 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -89.2 | -21.6 | -176.9 | -150.9 | -100.3 | 0 | 0 | 0 | 113.5 | N20 F21 C22 | N20-F24 PolarHBondContact O-N 3.48Å; F21-F24 PolarHBondContact O-N 3.42Å; F21-F24 VanDerWaalsContact O-N 3.16Å; C22-F24 VanDerWaalsContact C-N 3.31Å |
| 25 | T | 42.9 | Very low | 50.3 | Low | 31 Ų | 31 | 96.5 Ų | 96.5 | 19% | 0.19 | 53% | 0.53 | C | S | . | . | S | Bend | trans | -96.6 | 117.3 | 178.9 | 58.1 | 0 | 0 | 0 | 0 | 113.2 | F21 | F21-T25 HydrophobicContact CD1-CG2 4.1Å; F21-T25 HydrophobicContact CE1-CG2 3.57Å; F21-T25 HydrophobicContact CE2-CG2 4.07Å; F21-T25 HydrophobicContact CZ-CG2 3.54Å; F21-T25 PolarHBondContact O-N 2.97Å; F21-T25 VanDerWaalsContact O-N 3.1Å; F21-T25 PolarHBondContact O-OG1 3Å |
| 26 | D | 40.5 | Very low | 51.7 | Low | 119 Ų | 119 | 94.5 Ų | 94.5 | 64% | 0.636 | 52% | 0.518 | S | S | * | . | trans | -50.1 | 145 | 164.6 | -169.1 | 3.3 | 0 | 0 | 0 | 111.5 | N28 | D26-N28 PolarHBondContact O-N 2.99Š| ||
| 27 | K | 42.9 | Very low | 53 | Low | 195 Ų | 195 | 96.3 Ų | 96.3 | 85% | 0.848 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 9.3 | -170.9 | -89.6 | 174.2 | 174.7 | 170.6 | 0 | 115.4 | ||
| 28 | N | 43 | Very low | 54.6 | Low | 126 Ų | 126 | 100.7 Ų | 100.7 | 67% | 0.674 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.1 | 19.2 | -166.3 | -68.9 | -44.1 | 0 | 0 | 0 | 115.4 | D26 G30 | D26-N28 PolarHBondContact O-N 2.99Å; N28-G30 PolarHBondContact O-N 3.5Å; N28-G30 VanDerWaalsContact O-N 3.07Å |
| 29 | V | 48.2 | Very low | 56.1 | Low | 88 Ų | 88 | 102.4 Ų | 102.4 | 53% | 0.533 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | 87 | 172.5 | -172.9 | 0 | 0 | 0 | 0 | 109.1 | ||
| 30 | G | 51.4 | Low | 57.5 | Low | 69 Ų | 69 | 98.2 Ų | 98.2 | 71% | 0.711 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -178.3 | -0.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | N28 | N28-G30 PolarHBondContact O-N 3.5Å; N28-G30 VanDerWaalsContact O-N 3.07Å |
| 31 | R | 49.2 | Very low | 59.1 | Low | 225 Ų | 225 | 97.9 Ų | 97.9 | 85% | 0.849 | 53% | 0.525 | S | S | * | . | trans | -119.7 | 100.8 | 173.7 | -106 | 176.2 | 155.2 | 177.7 | -6.6 | 110.9 | G33 R75 | R31-G33 PolarHBondContact O-N 3.17Å; R31-R75 PolarHBondContact O-NH1 2.92Å | ||
| 32 | L | 59.4 | Low | 60.7 | Low | 63 Ų | 63 | 101.4 Ų | 101.4 | 33% | 0.33 | 54% | 0.543 | S | S | . | . | trans | -59.2 | 122.9 | 156.5 | -91.2 | 75.6 | 0 | 0 | 0 | 106.5 | V40 L73 | L32-V40 HydrophobicContact CD2-CG2 4.14Å; L32-L73 HydrophobicContact CD2-CD1 4.45Å | ||
| 33 | G | 66.8 | Low | 62.4 | Low | 47 Ų | 47 | 98.8 Ų | 98.8 | 49% | 0.485 | 53% | 0.526 | S | S | . | . | trans | -62.3 | 165.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R31 V35 G36 W37 | R31-G33 PolarHBondContact O-N 3.17Å; G33-V35 PolarHBondContact O-N 3.36Å; G33-V35 VanDerWaalsContact O-N 3.08Å; G33-G36 WeakPolarHBondContact O-CA 3.5Å; G33-G36 PolarHBondContact O-N 3.48Å; G33-W37 PolarHBondContact O-N 2.92Å | ||
| 34 | C | 72.4 | Confident | 64.1 | Low | 115 Ų | 115 | 96.7 Ų | 96.7 | 78% | 0.777 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -52.5 | -34.7 | -179.6 | -57.5 | 0 | 0 | 0 | 0 | 113 | W37 L38 | C34-W37 PolarHBondContact O-N 3.05Å; C34-L38 PolarHBondContact O-N 3.28Å |
| 35 | V | 73.9 | Confident | 65.8 | Low | 107 Ų | 107 | 94.6 Ų | 94.6 | 65% | 0.648 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.9 | -38.4 | 175.2 | 178.7 | 0 | 0 | 0 | 0 | 112.4 | G33 W37 L38 L39 | G33-V35 PolarHBondContact O-N 3.36Å; G33-V35 VanDerWaalsContact O-N 3.08Å; V35-W37 VanDerWaalsContact C-N 3.35Å; V35-L38 WeakPolarHBondContact O-CB 3.44Å; V35-L38 PolarHBondContact O-N 2.82Å; V35-L39 PolarHBondContact O-N 2.91Å |
| 36 | G | 74.3 | Confident | 67.6 | Low | 11 Ų | 11 | 99.4 Ų | 99.4 | 11% | 0.113 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G33 L39 V40 | G33-G36 WeakPolarHBondContact O-CA 3.5Å; G33-G36 PolarHBondContact O-N 3.48Å; G36-L39 PolarHBondContact O-N 3.45Å; G36-V40 VanDerWaalsContact O-CG2 3.28Å; G36-V40 WeakPolarHBondContact O-CG2 3.39Å; G36-V40 PolarHBondContact O-N 2.88Å; G36-V40 VanDerWaalsContact O-N 3.09Å |
| 37 | W | 78.1 | Confident | 69.4 | Low | 163 Ų | 163 | 95 Ų | 95 | 62% | 0.617 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.6 | -41.4 | 173.1 | -87.5 | 84.9 | 0 | 0 | 0 | 112.5 | G33 C34 V35 L39 V40 I41 | G33-W37 PolarHBondContact O-N 2.92Å; C34-W37 PolarHBondContact O-N 3.05Å; V35-W37 VanDerWaalsContact C-N 3.35Å; W37-L39 PolarHBondContact O-N 3.41Å; W37-V40 PolarHBondContact O-N 3.17Å; W37-I41 WeakPolarHBondContact O-CD1 3.37Å; W37-I41 VanDerWaalsContact O-CG1 3.22Å; W37-I41 WeakPolarHBondContact O-CG1 3.46Å; W37-I41 PolarHBondContact O-N 3.34Å |
| 38 | L | 79.4 | Confident | 71.2 | Confident | 104 Ų | 104 | 89.1 Ų | 89.1 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58 | -45.9 | 174.8 | -107.3 | 158.5 | 0 | 0 | 0 | 112.4 | C34 V35 V40 I41 I42 | C34-L38 PolarHBondContact O-N 3.28Å; V35-L38 WeakPolarHBondContact O-CB 3.44Å; V35-L38 PolarHBondContact O-N 2.82Å; L38-V40 PolarHBondContact O-N 3.5Å; L38-I41 PolarHBondContact O-N 2.94Å; L38-I42 HydrophobicContact CD2-CD1 4.45Å; L38-I42 VanDerWaalsContact O-CG1 3.28Å; L38-I42 WeakPolarHBondContact O-CG1 3.5Å; L38-I42 PolarHBondContact O-N 3.08Å |
| 39 | L | 78.8 | Confident | 73.1 | Confident | 83 Ų | 83 | 89.6 Ų | 89.6 | 44% | 0.435 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.7 | -38.4 | 176.9 | -74.4 | 173.6 | 0 | 0 | 0 | 112.7 | V35 G36 W37 I42 S43 L73 | V35-L39 PolarHBondContact O-N 2.91Å; G36-L39 PolarHBondContact O-N 3.45Å; W37-L39 PolarHBondContact O-N 3.41Å; L39-I42 PolarHBondContact O-N 3.46Å; L39-S43 WeakPolarHBondContact O-CB 3.38Å; L39-S43 PolarHBondContact O-N 3.44Å; L39-L73 HydrophobicContact CD1-CD2 4.34Å |
| 40 | V | 77.1 | Confident | 74.5 | Confident | 28 Ų | 28 | 88 Ų | 88 | 17% | 0.17 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 175.1 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | L32 G36 W37 L38 S43 L44 | L32-V40 HydrophobicContact CD2-CG2 4.14Å; G36-V40 VanDerWaalsContact O-CG2 3.28Å; G36-V40 WeakPolarHBondContact O-CG2 3.39Å; G36-V40 PolarHBondContact O-N 2.88Å; G36-V40 VanDerWaalsContact O-N 3.09Å; W37-V40 PolarHBondContact O-N 3.17Å; L38-V40 PolarHBondContact O-N 3.5Å; V40-S43 PolarHBondContact O-N 3.41Å; V40-L44 HydrophobicContact CG1-CD1 4.38Å; V40-L44 WeakPolarHBondContact O-CB 3.39Å; V40-L44 PolarHBondContact O-N 3.07Å |
| 41 | I | 81.9 | Confident | 75.8 | Confident | 94 Ų | 94 | 91.1 Ų | 91.1 | 48% | 0.482 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 177.4 | -67.7 | 162.1 | 0 | 0 | 0 | 111 | W37 L38 L44 L45 | W37-I41 WeakPolarHBondContact O-CD1 3.37Å; W37-I41 VanDerWaalsContact O-CG1 3.22Å; W37-I41 WeakPolarHBondContact O-CG1 3.46Å; W37-I41 PolarHBondContact O-N 3.34Å; L38-I41 PolarHBondContact O-N 2.94Å; I41-L44 WeakPolarHBondContact O-CB 3.42Å; I41-L44 PolarHBondContact O-N 2.94Å; I41-L45 WeakPolarHBondContact O-CB 3.27Å; I41-L45 PolarHBondContact O-N 3.45Å |
| 42 | I | 83.3 | Confident | 77.1 | Confident | 90 Ų | 90 | 84.1 Ų | 84.1 | 46% | 0.462 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 176.7 | -68.9 | 164.2 | 0 | 0 | 0 | 111 | L38 L39 L44 L45 F46 | L38-I42 HydrophobicContact CD2-CD1 4.45Å; L38-I42 VanDerWaalsContact O-CG1 3.28Å; L38-I42 WeakPolarHBondContact O-CG1 3.5Å; L38-I42 PolarHBondContact O-N 3.08Å; L39-I42 PolarHBondContact O-N 3.46Å; I42-L44 VanDerWaalsContact C-N 3.35Å; I42-L44 PolarHBondContact O-N 3.49Å; I42-L45 PolarHBondContact O-N 3.32Å; I42-F46 PolarHBondContact O-N 2.93Å |
| 43 | S | 77.1 | Confident | 77.9 | Confident | 12 Ų | 12 | 87.1 Ų | 87.1 | 8% | 0.084 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -59.9 | -44.5 | 174.4 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | L39 V40 L45 F46 I47 P91 | L39-S43 WeakPolarHBondContact O-CB 3.38Å; L39-S43 PolarHBondContact O-N 3.44Å; V40-S43 PolarHBondContact O-N 3.41Å; S43-L45 PolarHBondContact O-N 2.91Å; S43-F46 WeakPolarHBondContact O-CB 3.33Å; S43-F46 PolarHBondContact O-N 3.07Å; S43-I47 VanDerWaalsContact O-CG1 3.3Å; S43-I47 WeakPolarHBondContact O-CG1 3.43Å; S43-I47 PolarHBondContact O-N 3.48Å; S43-P91 PolarHBondContact OG-O 3.13Å |
| 44 | L | 78.7 | Confident | 78.2 | Confident | 99 Ų | 99 | 86 Ų | 86 | 52% | 0.518 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.5 | -41.1 | 175.9 | -109.1 | 156.4 | 0 | 0 | 0 | 113 | V40 I41 I42 F46 I47 A48 | V40-L44 HydrophobicContact CG1-CD1 4.38Å; V40-L44 WeakPolarHBondContact O-CB 3.39Å; V40-L44 PolarHBondContact O-N 3.07Å; I41-L44 WeakPolarHBondContact O-CB 3.42Å; I41-L44 PolarHBondContact O-N 2.94Å; I42-L44 VanDerWaalsContact C-N 3.35Å; I42-L44 PolarHBondContact O-N 3.49Å; L44-F46 VanDerWaalsContact C-N 3.35Å; L44-I47 PolarHBondContact O-N 3.39Å; L44-A48 PolarHBondContact O-N 3.41Å |
| 45 | L | 82.9 | Confident | 78.1 | Confident | 117 Ų | 117 | 84.4 Ų | 84.4 | 61% | 0.613 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -65 | -39.4 | 176.6 | -170.4 | 145.8 | 0 | 0 | 0 | 111.4 | I41 I42 S43 A48 L49 | I41-L45 WeakPolarHBondContact O-CB 3.27Å; I41-L45 PolarHBondContact O-N 3.45Å; I42-L45 PolarHBondContact O-N 3.32Å; S43-L45 PolarHBondContact O-N 2.91Å; L45-A48 PolarHBondContact O-N 3.44Å; L45-L49 WeakPolarHBondContact O-CB 3.12Å; L45-L49 PolarHBondContact O-N 3.42Å |
| 46 | F | 80.3 | Confident | 78 | Confident | 133 Ų | 133 | 88 Ų | 88 | 58% | 0.583 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -63.3 | -41.7 | 173.4 | -116.8 | -86 | 0 | 0 | 0 | 112.4 | I42 S43 L44 L49 T50 | I42-F46 PolarHBondContact O-N 2.93Å; S43-F46 WeakPolarHBondContact O-CB 3.33Å; S43-F46 PolarHBondContact O-N 3.07Å; L44-F46 VanDerWaalsContact C-N 3.35Å; F46-L49 PolarHBondContact O-N 3.15Å; F46-T50 PolarHBondContact O-N 2.87Å; F46-T50 PolarHBondContact O-OG1 3.25Å |
| 47 | I | 78.9 | Confident | 77.7 | Confident | 26 Ų | 26 | 92.8 Ų | 92.8 | 13% | 0.133 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 176.1 | -68.7 | 162.3 | 0 | 0 | 0 | 110.6 | S43 L44 T50 F51 T54 L90 P91 | S43-I47 VanDerWaalsContact O-CG1 3.3Å; S43-I47 WeakPolarHBondContact O-CG1 3.43Å; S43-I47 PolarHBondContact O-N 3.48Å; L44-I47 PolarHBondContact O-N 3.39Å; I47-T50 PolarHBondContact O-N 3.43Å; I47-T50 PolarHBondContact O-OG1 3.22Å; I47-F51 PolarHBondContact O-N 3.41Å; I47-T54 PolarHBondContact O-OG1 2.94Å; I47-L90 HydrophobicContact CD1-CD2 4.12Å; I47-L90 HydrophobicContact CD1-CG 4.39Å; I47-P91 HydrophobicContact CD1-CG 4.41Å; I47-P91 HydrophobicContact CG1-CG 4.35Å |
| 48 | A | 80.4 | Confident | 77.2 | Confident | 72 Ų | 72 | 85.1 Ų | 85.1 | 60% | 0.595 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -64.9 | -39.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L44 L45 T50 | L44-A48 PolarHBondContact O-N 3.41Å; L45-A48 PolarHBondContact O-N 3.44Å; A48-T50 VanDerWaalsContact C-N 3.32Å; A48-T50 PolarHBondContact O-N 3.37Å |
| 49 | L | 82.1 | Confident | 77 | Confident | 136 Ų | 136 | 82.9 Ų | 82.9 | 71% | 0.712 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -67.3 | -31.6 | 178.8 | -169.8 | 75.3 | 0 | 0 | 0 | 113 | L45 F46 | L45-L49 WeakPolarHBondContact O-CB 3.12Å; L45-L49 PolarHBondContact O-N 3.42Å; F46-L49 PolarHBondContact O-N 3.15Å |
| 50 | T | 78.4 | Confident | 76.8 | Confident | 55 Ų | 55 | 83 Ų | 83 | 34% | 0.337 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 12.3 | -173.5 | 53.5 | 0 | 0 | 0 | 0 | 113.4 | F46 I47 A48 I53 T54 | F46-T50 PolarHBondContact O-N 2.87Å; F46-T50 PolarHBondContact O-OG1 3.25Å; I47-T50 PolarHBondContact O-N 3.43Å; I47-T50 PolarHBondContact O-OG1 3.22Å; A48-T50 VanDerWaalsContact C-N 3.32Å; A48-T50 PolarHBondContact O-N 3.37Å; T50-I53 PolarHBondContact O-N 3.01Å; T50-I53 VanDerWaalsContact O-N 3.15Å; T50-T54 WeakPolarHBondContact OG1-CG2 3.47Å |
| 51 | F | 78 | Confident | 76.9 | Confident | 134 Ų | 134 | 87.4 Ų | 87.4 | 59% | 0.588 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 131.6 | 172.6 | -170.3 | -99.3 | 0 | 0 | 0 | 109.8 | I47 L55 | I47-F51 PolarHBondContact O-N 3.41Å; F51-L55 HydrophobicContact CE2-CB 4.3Å; F51-L55 HydrophobicContact CE2-CD1 4.4Å; F51-L55 HydrophobicContact CE2-CD2 4.41Å |
| 52 | P | 76.3 | Confident | 76.8 | Confident | 78 Ų | 78 | 83.2 Ų | 83.2 | 51% | 0.506 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -101.1 | -0.8 | 17.8 | 36.8 | -35.6 | 0 | 0 | 0 | 116.3 | T54 L55 | P52-T54 VanDerWaalsContact C-N 3.33Å; P52-T54 PolarHBondContact O-N 3.09Å; P52-L55 PolarHBondContact O-N 3.26Å |
| 53 | I | 77.4 | Confident | 76.7 | Confident | 126 Ų | 126 | 84 Ų | 84 | 65% | 0.646 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -66.1 | -36.2 | -169.3 | -59.9 | 170.8 | 0 | 0 | 0 | 111.6 | T50 L55 | T50-I53 PolarHBondContact O-N 3.01Å; T50-I53 VanDerWaalsContact O-N 3.15Å; I53-L55 PolarHBondContact O-N 2.76Å |
| 54 | T | 72.7 | Confident | 76.8 | Confident | 22 Ų | 22 | 91.1 Ų | 91.1 | 14% | 0.135 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -69.1 | -29.3 | -179.2 | 44.8 | 0 | 0 | 0 | 0 | 113.8 | I47 T50 P52 F56 L57 C58 | I47-T54 PolarHBondContact O-OG1 2.94Å; T50-T54 WeakPolarHBondContact OG1-CG2 3.47Å; P52-T54 VanDerWaalsContact C-N 3.33Å; P52-T54 PolarHBondContact O-N 3.09Å; T54-F56 VanDerWaalsContact C-N 3.32Å; T54-F56 PolarHBondContact O-N 3.37Å; T54-L57 PolarHBondContact O-N 3.43Å; T54-C58 PolarHBondContact O-N 2.87Å; T54-C58 PolarHBondContact O-SG 3.2Å |
| 55 | L | 71.3 | Confident | 76.9 | Confident | 83 Ų | 83 | 89.5 Ų | 89.5 | 44% | 0.435 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.3 | -42.1 | 179.6 | -169.1 | 82.1 | 0 | 0 | 0 | 111.6 | F51 P52 I53 L57 V59 F88 | F51-L55 HydrophobicContact CE2-CB 4.3Å; F51-L55 HydrophobicContact CE2-CD1 4.4Å; F51-L55 HydrophobicContact CE2-CD2 4.41Å; P52-L55 PolarHBondContact O-N 3.26Å; I53-L55 PolarHBondContact O-N 2.76Å; L55-L57 VanDerWaalsContact C-N 3.26Å; L55-L57 PolarHBondContact O-N 3.48Å; L55-V59 WeakPolarHBondContact O-CG2 3.32Å; L55-F88 HydrophobicContact CD1-CE2 4.47Å |
| 56 | F | 70.5 | Confident | 77 | Confident | 181 Ų | 181 | 85.3 Ų | 85.3 | 79% | 0.794 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -67.3 | -27 | 176.6 | -81.7 | -82.6 | 0 | 0 | 0 | 113 | T54 | T54-F56 VanDerWaalsContact C-N 3.32Å; T54-F56 PolarHBondContact O-N 3.37Å |
| 57 | L | 68.7 | Low | 77.3 | Confident | 113 Ų | 113 | 81 Ų | 81 | 59% | 0.592 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -84.5 | -31.1 | -177.3 | -120.8 | 140.5 | 0 | 0 | 0 | 112.8 | T54 L55 | T54-L57 PolarHBondContact O-N 3.43Å; L55-L57 VanDerWaalsContact C-N 3.26Å; L55-L57 PolarHBondContact O-N 3.48Å |
| 58 | C | 67.7 | Low | 77.5 | Confident | 2 Ų | 2 | 79.9 Ų | 79.9 | 1% | 0.014 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -76.3 | -24.1 | 179.9 | -64.5 | 0 | 0 | 0 | 0 | 113.7 | T54 K60 F88 V89 P91 | T54-C58 PolarHBondContact O-N 2.87Å; T54-C58 PolarHBondContact O-SG 3.2Å; C58-K60 PolarHBondContact O-N 2.89Å; C58-F88 HydrophobicContact CB-CD1 4.29Å; C58-F88 HydrophobicContact CB-CD2 3.77Å; C58-F88 HydrophobicContact CB-CE1 3.85Å; C58-F88 HydrophobicContact CB-CE2 3.27Å; C58-F88 HydrophobicContact CB-CG 4.27Å; C58-F88 HydrophobicContact CB-CZ 3.31Å; C58-V89 PolarHBondContact O-N 2.93Å; C58-P91 WeakPolarHBondContact SG-CD 3.49Å |
| 59 | V | 74.2 | Confident | 77.7 | Confident | 57 Ų | 57 | 76.7 Ų | 76.7 | 35% | 0.345 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 109 | 179 | 172.4 | 0 | 0 | 0 | 0 | 109.1 | L55 L86 | L55-V59 WeakPolarHBondContact O-CG2 3.32Å; V59-L86 HydrophobicContact CG1-CD1 3.61Å; V59-L86 HydrophobicContact CG1-CD2 3.64Å; V59-L86 HydrophobicContact CG1-CG 3.67Å; V59-L86 HydrophobicContact CG2-CD2 4.42Å |
| 60 | K | 75.3 | Confident | 77.8 | Confident | 84 Ų | 84 | 70.7 Ų | 70.7 | 37% | 0.365 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 138.5 | 174.3 | -67.1 | -68.8 | -179.4 | 174 | 0 | 110.2 | C58 F87 | C58-K60 PolarHBondContact O-N 2.89Å; K60-F87 HydrophobicContact CB-CE1 4.15Å; K60-F87 HydrophobicContact CB-CE2 4.09Å; K60-F87 HydrophobicContact CB-CZ 3.73Å; K60-F87 PolarHBondContact N-O 3.41Å; K60-F87 WeakPolarHBondContact O-CD1 3.34Å; K60-F87 WeakPolarHBondContact O-CE1 3.46Å; K60-F87 PolarHBondContact O-N 3.29Å |
| 61 | I | 79.8 | Confident | 77.9 | Confident | 122 Ų | 122 | 69.9 Ų | 69.9 | 63% | 0.626 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 130.1 | 177 | -62.3 | 157.7 | 0 | 0 | 0 | 107.8 | L86 K98 | I61-L86 HydrophobicContact CD1-CD1 4.43Å; I61-L86 HydrophobicContact CG1-CD1 3.64Å; I61-K98 PolarHBondContact O-NZ 3.03Å |
| 62 | V | 78.9 | Confident | 77.9 | Confident | 5 Ų | 5 | 67.6 Ų | 67.6 | 3% | 0.03 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 136.7 | 170.4 | 156.1 | 0 | 0 | 0 | 0 | 108.4 | E66 A68 G85 F87 K98 | V62-E66 HydrophobicContact CG1-CB 3.77Å; V62-E66 VanDerWaalsContact CG1-O 3.26Å; V62-E66 WeakPolarHBondContact CG1-O 3.4Å; V62-A68 HydrophobicContact CG2-CB 4.17Å; V62-G85 PolarHBondContact N-O 3Å; V62-G85 PolarHBondContact O-N 3.27Å; V62-F87 HydrophobicContact CB-CD1 4.3Å; V62-F87 HydrophobicContact CB-CE1 3.52Å; V62-F87 HydrophobicContact CB-CZ 4.29Å; V62-F87 HydrophobicContact CG2-CD1 4.24Å; V62-F87 HydrophobicContact CG2-CE1 3.12Å; V62-F87 HydrophobicContact CG2-CZ 3.38Å; V62-K98 HydrophobicContact CG2-CD 4.22Å; V62-K98 HydrophobicContact CG2-CG 4.43Å |
| 63 | K | 81.8 | Confident | 77.8 | Confident | 108 Ų | 108 | 67.6 Ų | 67.6 | 47% | 0.47 | 32% | 0.322 | S | S | . | . | trans | -73.2 | 160.8 | -178.8 | -59.4 | 178.7 | -175.2 | 166 | 0 | 110.2 | Y65 E66 | K63-Y65 VanDerWaalsContact C-N 3.25Å; K63-Y65 HydrophobicContact CB-CD1 4.01Å; K63-Y65 HydrophobicContact CB-CE1 3.71Å; K63-Y65 HydrophobicContact CB-CE2 4.5Å; K63-Y65 HydrophobicContact CD-CE1 3.62Å; K63-Y65 HydrophobicContact CD-CE2 4.18Å; K63-Y65 WeakPolarHBondContact CD-OH 3.41Å; K63-Y65 HydrophobicContact CG-CE1 4.3Å; K63-Y65 PolarHBondContact NZ-OH 3.32Å; K63-Y65 PolarHBondContact O-N 2.86Å; K63-E66 HydrophobicContact CB-CB 4.44Å; K63-E66 HydrophobicContact CB-CG 4.32Å; K63-E66 PolarHBondContact O-N 3.41Å | ||
| 64 | E | 78.3 | Confident | 77.4 | Confident | 161 Ų | 161 | 65 Ų | 65 | 75% | 0.752 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -36 | -174.7 | -167.8 | 163.3 | -167.9 | 0 | 0 | 114.3 | P84 | E64-P84 HydrophobicContact CB-CB 4.48Å; E64-P84 HydrophobicContact CG-CG 4.39Å |
| 65 | Y | 81.5 | Confident | 77.5 | Confident | 64 Ų | 64 | 71.2 Ų | 71.2 | 25% | 0.251 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -4.5 | -179.5 | 59.3 | -94.4 | 0 | 0 | 0 | 114.2 | K63 L101 R102 | K63-Y65 VanDerWaalsContact C-N 3.25Å; K63-Y65 HydrophobicContact CB-CD1 4.01Å; K63-Y65 HydrophobicContact CB-CE1 3.71Å; K63-Y65 HydrophobicContact CB-CE2 4.5Å; K63-Y65 HydrophobicContact CD-CE1 3.62Å; K63-Y65 HydrophobicContact CD-CE2 4.18Å; K63-Y65 WeakPolarHBondContact CD-OH 3.41Å; K63-Y65 HydrophobicContact CG-CE1 4.3Å; K63-Y65 PolarHBondContact NZ-OH 3.32Å; K63-Y65 PolarHBondContact O-N 2.86Å; Y65-L101 PolarHBondContact O-N 3.4Å; Y65-L101 VanDerWaalsContact O-N 3.15Å; Y65-R102 VanDerWaalsContact CD1-CZ 3.48Å; Y65-R102 VanDerWaalsContact CG-NE 3.29Å |
| 66 | E | 84.9 | Confident | 77.6 | Confident | 29 Ų | 29 | 69.2 Ų | 69.2 | 14% | 0.136 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 146.7 | 176.8 | -73.5 | 171.8 | -169.9 | 0 | 0 | 109.6 | V62 K63 K98 V99 | V62-E66 HydrophobicContact CG1-CB 3.77Å; V62-E66 VanDerWaalsContact CG1-O 3.26Å; V62-E66 WeakPolarHBondContact CG1-O 3.4Å; K63-E66 HydrophobicContact CB-CB 4.44Å; K63-E66 HydrophobicContact CB-CG 4.32Å; K63-E66 PolarHBondContact O-N 3.41Å; E66-K98 IonicContact OE2-NZ 2.7Å; E66-V99 WeakPolarHBondContact CA-O 3.34Å |
| 67 | R | 85.9 | Confident | 77.1 | Confident | 43 Ų | 43 | 62.3 Ų | 62.3 | 16% | 0.162 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 139.4 | 168 | -68.2 | -68.7 | -171.2 | -116 | 3.8 | 109.7 | K82 K98 V99 L101 P134 | R67-K82 WeakPolarHBondContact CD-O 3.42Å; R67-K98 WeakPolarHBondContact O-CA 3.45Å; R67-V99 PolarHBondContact N-O 3.27Å; R67-V99 PolarHBondContact O-N 2.88Å; R67-L101 HydrophobicContact CG-CD1 3.48Å; R67-L101 VanDerWaalsContact CG-CD1 3.48Å; R67-L101 HydrophobicContact CG-CD2 4.13Å; R67-L101 HydrophobicContact CG-CG 3.9Å; R67-P134 HydrophobicContact CB-CB 4.32Å; R67-P134 HydrophobicContact CB-CG 4.02Å; R67-P134 HydrophobicContact CG-CG 4.39Å |
| 68 | A | 84.6 | Confident | 76.8 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 2% | 0.017 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 125.7 | 175 | 0 | 0 | 0 | 0 | 0 | 110.5 | V62 K82 F87 V97 | V62-A68 HydrophobicContact CG2-CB 4.17Å; A68-K82 PolarHBondContact O-N 3.23Å; A68-F87 HydrophobicContact CB-CE2 4.27Å; A68-F87 HydrophobicContact CB-CZ 4.18Å; A68-V97 WeakPolarHBondContact CA-O 3.35Å |
| 69 | V | 84.4 | Confident | 76.5 | Confident | 5 Ų | 5 | 66.5 Ų | 66.5 | 3% | 0.03 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 120.9 | 167.2 | -175.3 | 0 | 0 | 0 | 0 | 107.4 | F71 F96 V97 P134 I135 V138 | V69-F71 HydrophobicContact CB-CE2 4.3Å; V69-F71 HydrophobicContact CG1-CE1 4.32Å; V69-F71 HydrophobicContact CG1-CE2 3.83Å; V69-F71 HydrophobicContact CG1-CZ 3.68Å; V69-F96 WeakPolarHBondContact O-CA 3.49Å; V69-V97 PolarHBondContact N-O 2.84Å; V69-V97 PolarHBondContact O-N 3.39Å; V69-P134 HydrophobicContact CG2-CB 4.09Å; V69-I135 HydrophobicContact CG2-CG1 4.44Å; V69-V138 HydrophobicContact CG2-CG2 4.46Å |
| 70 | I | 83.1 | Confident | 76.2 | Confident | 10 Ų | 10 | 71 Ų | 71 | 5% | 0.051 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 124.3 | -177.3 | -58.2 | 169.2 | 0 | 0 | 0 | 109.2 | A77 K82 F87 D94 N95 F96 | I70-A77 HydrophobicContact CG2-CB 4.43Å; I70-A77 PolarHBondContact O-N 2.96Å; I70-K82 HydrophobicContact CD1-CD 3.62Å; I70-K82 HydrophobicContact CD1-CG 4.18Å; I70-F87 HydrophobicContact CD1-CD2 4.23Å; I70-D94 HydrophobicContact CG2-CB 4.17Å; I70-N95 WeakPolarHBondContact CA-O 3.31Å; I70-F96 HydrophobicContact CG1-CB 4.37Å |
| 71 | F | 81.6 | Confident | 75.9 | Confident | 39 Ų | 39 | 69 Ų | 69 | 17% | 0.171 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 118.9 | 172.8 | -60.3 | -82.1 | 0 | 0 | 0 | 108.7 | V69 R75 I76 D94 N95 V97 V138 | V69-F71 HydrophobicContact CB-CE2 4.3Å; V69-F71 HydrophobicContact CG1-CE1 4.32Å; V69-F71 HydrophobicContact CG1-CE2 3.83Å; V69-F71 HydrophobicContact CG1-CZ 3.68Å; F71-R75 CarbonylContact C-O 3.53Å; F71-R75 WeakPolarHBondContact CA-O 3.29Å; F71-I76 HydrophobicContact CD1-CG1 4.16Å; F71-I76 HydrophobicContact CE1-CG1 3.85Å; F71-D94 CarbonylContact O-C 3.58Å; F71-D94 WeakPolarHBondContact O-CA 3.37Å; F71-N95 HydrophobicContact CB-CB 4.39Å; F71-N95 PolarHBondContact N-O 3.3Å; F71-N95 PolarHBondContact O-N 3.4Å; F71-V97 HydrophobicContact CD2-CG2 4.32Å; F71-V97 HydrophobicContact CE2-CB 4.35Å; F71-V97 HydrophobicContact CE2-CG2 3.88Å; F71-V138 HydrophobicContact CE2-CG1 3.82Å; F71-V138 HydrophobicContact CZ-CB 4.28Å; F71-V138 HydrophobicContact CZ-CG1 3.53Å |
| 72 | R | 76.9 | Confident | 75.6 | Confident | 85 Ų | 85 | 66.7 Ų | 66.7 | 32% | 0.321 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 116.5 | 172 | 178.8 | 170 | -67.1 | 160.9 | 2.6 | 108.8 | G74 R75 A77 D94 | R72-G74 PolarHBondContact O-N 2.97Å; R72-G74 VanDerWaalsContact O-N 3.16Å; R72-R75 PolarHBondContact N-O 3.46Å; R72-R75 PolarHBondContact O-N 2.89Å; R72-A77 HydrophobicContact CB-CB 3.84Å; R72-D94 WeakPolarHBondContact CG-OD1 3.25Å; R72-D94 IonicContact CZ-OD1 3.86Å; R72-D94 IonicContact CZ-OD2 3.73Å; R72-D94 IonicContact NE-OD1 2.97Å; R72-D94 PolarHBondContact NE-OD1 3.31Å; R72-D94 IonicContact NE-OD2 3.56Å; R72-D94 IonicContact NH2-OD1 3.83Å; R72-D94 IonicContact NH2-OD2 2.98Å; R72-D94 PolarHBondContact NH2-OD2 2.91Å |
| 73 | L | 75.2 | Confident | 75 | Confident | 79 Ų | 79 | 68.4 Ų | 68.4 | 41% | 0.414 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 40.3 | -178.9 | -58.3 | 173.3 | 0 | 0 | 0 | 112.9 | L32 L39 R75 T93 | L32-L73 HydrophobicContact CD2-CD1 4.45Å; L39-L73 HydrophobicContact CD1-CD2 4.34Å; L73-R75 VanDerWaalsContact C-N 3.28Å; L73-R75 PolarHBondContact O-N 3.49Å; L73-T93 PolarHBondContact N-O 3.4Å; L73-T93 VanDerWaalsContact N-O 3.14Å |
| 74 | G | 68.6 | Low | 74.5 | Confident | 71 Ų | 71 | 66.3 Ų | 66.3 | 73% | 0.732 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | 3.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | R72 | R72-G74 PolarHBondContact O-N 2.97Å; R72-G74 VanDerWaalsContact O-N 3.16Å |
| 75 | R | 74.4 | Confident | 74.3 | Confident | 153 Ų | 153 | 60.3 Ų | 60.3 | 58% | 0.577 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 148 | 172.3 | -63 | -177.6 | -179.4 | 177 | -1.3 | 110.5 | R31 F71 R72 L73 A77 | R31-R75 PolarHBondContact O-NH1 2.92Å; F71-R75 CarbonylContact C-O 3.53Å; F71-R75 WeakPolarHBondContact CA-O 3.29Å; R72-R75 PolarHBondContact N-O 3.46Å; R72-R75 PolarHBondContact O-N 2.89Å; L73-R75 VanDerWaalsContact C-N 3.28Å; L73-R75 PolarHBondContact O-N 3.49Å; R75-A77 PolarHBondContact O-N 3.41Å; R75-A77 VanDerWaalsContact O-N 3.14Å |
| 76 | I | 73.4 | Confident | 73.8 | Confident | 40 Ų | 40 | 63.1 Ų | 63.1 | 21% | 0.205 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 113.3 | 173.7 | -61.4 | 165.4 | 0 | 0 | 0 | 107.2 | F21 F71 D78 I135 A139 | F21-I76 HydrophobicContact CE2-CD1 4.28Å; F21-I76 HydrophobicContact CZ-CD1 3.8Å; F71-I76 HydrophobicContact CD1-CG1 4.16Å; F71-I76 HydrophobicContact CE1-CG1 3.85Å; I76-D78 VanDerWaalsContact CG2-O 3.29Å; I76-D78 WeakPolarHBondContact CG2-O 3.4Å; I76-I135 HydrophobicContact CD1-CG2 3.87Å; I76-I135 HydrophobicContact CG2-CG2 4.36Å; I76-A139 HydrophobicContact CD1-CB 4.17Å |
| 77 | A | 60.8 | Low | 73.3 | Confident | 36 Ų | 36 | 62.5 Ų | 62.5 | 30% | 0.298 | 33% | 0.334 | S | S | . | . | trans | -71 | -36.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I70 R72 R75 | I70-A77 HydrophobicContact CG2-CB 4.43Å; I70-A77 PolarHBondContact O-N 2.96Å; R72-A77 HydrophobicContact CB-CB 3.84Å; R75-A77 PolarHBondContact O-N 3.41Å; R75-A77 VanDerWaalsContact O-N 3.14Å | ||
| 78 | D | 62.3 | Low | 72.6 | Confident | 69 Ų | 69 | 65.1 Ų | 65.1 | 37% | 0.369 | 35% | 0.347 | S | S | . | . | trans | -126.1 | 134.7 | -175.1 | -68.2 | -43.4 | 0 | 0 | 0 | 110.6 | I76 K80 K82 | I76-D78 VanDerWaalsContact CG2-O 3.29Å; I76-D78 WeakPolarHBondContact CG2-O 3.4Å; D78-K80 WeakPolarHBondContact CB-O 3.46Å; D78-K80 PolarHBondContact O-N 3.36Å; D78-K82 WeakPolarHBondContact OD2-CE 3.38Å; D78-K82 IonicContact OD2-NZ 3.61Å | ||
| 79 | R | 61.8 | Low | 72.3 | Confident | 134 Ų | 134 | 65.5 Ų | 65.5 | 51% | 0.506 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -67.2 | -13.6 | 175.4 | -111.4 | -180 | 178 | 168.7 | -1.9 | 113.6 | ||
| 80 | K | 66.9 | Low | 71.7 | Confident | 152 Ų | 152 | 66.6 Ų | 66.6 | 66% | 0.661 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -121.8 | 138.7 | 178.5 | -69.8 | -175 | 177.3 | -174.9 | 0 | 109.4 | T18 D78 | T18-K80 HydrophobicContact CG2-CG 4.31Å; D78-K80 WeakPolarHBondContact CB-O 3.46Å; D78-K80 PolarHBondContact O-N 3.36Å |
| 81 | P | 68.9 | Low | 70.9 | Confident | 41 Ų | 41 | 68.5 Ų | 68.5 | 27% | 0.266 | 37% | 0.367 | S | S | . | . | trans | -64.4 | 138 | 173.7 | 27 | -31.1 | 0 | 0 | 0 | 109.2 | G83 P134 I135 | P81-G83 PolarHBondContact O-N 2.7Å; P81-P134 HydrophobicContact CB-CG 3.8Å; P81-P134 HydrophobicContact CG-CG 4.01Å; P81-I135 HydrophobicContact CB-CG1 4.42Å | ||
| 82 | K | 72.9 | Confident | 70.3 | Confident | 75 Ų | 75 | 73 Ų | 73 | 33% | 0.326 | 40% | 0.402 | S | S | . | . | B | Isolated β-bridge | trans | -68.8 | 130.8 | 178.4 | -69.3 | -157.2 | -177.8 | 177.5 | 0 | 109.5 | R67 A68 I70 D78 F87 | R67-K82 WeakPolarHBondContact CD-O 3.42Å; A68-K82 PolarHBondContact O-N 3.23Å; I70-K82 HydrophobicContact CD1-CD 3.62Å; I70-K82 HydrophobicContact CD1-CG 4.18Å; D78-K82 WeakPolarHBondContact OD2-CE 3.38Å; D78-K82 IonicContact OD2-NZ 3.61Å; K82-F87 HydrophobicContact CD-CB 4.35Å |
| 83 | G | 67.9 | Low | 70.2 | Confident | 41 Ų | 41 | 69.5 Ų | 69.5 | 42% | 0.423 | 39% | 0.39 | S | S | . | . | trans | -64.4 | 177.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | P81 | P81-G83 PolarHBondContact O-N 2.7Š| ||
| 84 | P | 71.1 | Confident | 70.5 | Confident | 64 Ų | 64 | 66.2 Ų | 66.2 | 42% | 0.416 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -72.8 | 150 | -176.2 | 30.7 | -22.2 | 0 | 0 | 0 | 110.4 | E64 | E64-P84 HydrophobicContact CB-CB 4.48Å; E64-P84 HydrophobicContact CG-CG 4.39Å |
| 85 | G | 73.4 | Confident | 71.1 | Confident | 34 Ų | 34 | 68.6 Ų | 68.6 | 35% | 0.351 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 127.9 | -158.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | V62 | V62-G85 PolarHBondContact N-O 3Å; V62-G85 PolarHBondContact O-N 3.27Å |
| 86 | L | 70.4 | Confident | 71.6 | Confident | 124 Ų | 124 | 64.7 Ų | 64.7 | 65% | 0.649 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 122.2 | -177.4 | -142.1 | 86.4 | 0 | 0 | 0 | 109.7 | V59 I61 | V59-L86 HydrophobicContact CG1-CD1 3.61Å; V59-L86 HydrophobicContact CG1-CD2 3.64Å; V59-L86 HydrophobicContact CG1-CG 3.67Å; V59-L86 HydrophobicContact CG2-CD2 4.42Å; I61-L86 HydrophobicContact CD1-CD1 4.43Å; I61-L86 HydrophobicContact CG1-CD1 3.64Å |
| 87 | F | 74.7 | Confident | 72.2 | Confident | 16 Ų | 16 | 65.6 Ų | 65.6 | 7% | 0.07 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 142.4 | 173.1 | 58.8 | -74.2 | 0 | 0 | 0 | 110 | K60 V62 A68 I70 K82 V89 | K60-F87 HydrophobicContact CB-CE1 4.15Å; K60-F87 HydrophobicContact CB-CE2 4.09Å; K60-F87 HydrophobicContact CB-CZ 3.73Å; K60-F87 PolarHBondContact N-O 3.41Å; K60-F87 WeakPolarHBondContact O-CD1 3.34Å; K60-F87 WeakPolarHBondContact O-CE1 3.46Å; K60-F87 PolarHBondContact O-N 3.29Å; V62-F87 HydrophobicContact CB-CD1 4.3Å; V62-F87 HydrophobicContact CB-CE1 3.52Å; V62-F87 HydrophobicContact CB-CZ 4.29Å; V62-F87 HydrophobicContact CG2-CD1 4.24Å; V62-F87 HydrophobicContact CG2-CE1 3.12Å; V62-F87 HydrophobicContact CG2-CZ 3.38Å; A68-F87 HydrophobicContact CB-CE2 4.27Å; A68-F87 HydrophobicContact CB-CZ 4.18Å; I70-F87 HydrophobicContact CD1-CD2 4.23Å; K82-F87 HydrophobicContact CD-CB 4.35Å; F87-V89 HydrophobicContact CD2-CG2 3.41Å; F87-V89 VanDerWaalsContact CD2-CG2 3.41Å; F87-V89 HydrophobicContact CE2-CG2 3.38Å |
| 88 | F | 71.8 | Confident | 73.5 | Confident | 97 Ų | 97 | 68.2 Ų | 68.2 | 43% | 0.425 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 122.9 | 177.7 | -157 | -96.9 | 0 | 0 | 0 | 108.9 | L55 C58 | L55-F88 HydrophobicContact CD1-CE2 4.47Å; C58-F88 HydrophobicContact CB-CD1 4.29Å; C58-F88 HydrophobicContact CB-CD2 3.77Å; C58-F88 HydrophobicContact CB-CE1 3.85Å; C58-F88 HydrophobicContact CB-CE2 3.27Å; C58-F88 HydrophobicContact CB-CG 4.27Å; C58-F88 HydrophobicContact CB-CZ 3.31Å |
| 89 | V | 77.4 | Confident | 74.7 | Confident | 11 Ų | 11 | 65.5 Ų | 65.5 | 7% | 0.067 | 35% | 0.354 | C | S | . | . | trans | -113.6 | 127 | 174.7 | -176.2 | 0 | 0 | 0 | 0 | 107.9 | C58 F87 P91 D94 F96 | C58-V89 PolarHBondContact O-N 2.93Å; F87-V89 HydrophobicContact CD2-CG2 3.41Å; F87-V89 VanDerWaalsContact CD2-CG2 3.41Å; F87-V89 HydrophobicContact CE2-CG2 3.38Å; V89-P91 VanDerWaalsContact O-CD 3.32Å; V89-P91 WeakPolarHBondContact O-CD 3.49Å; V89-D94 HydrophobicContact CG1-CB 3.68Å; V89-F96 HydrophobicContact CG1-CD1 4.23Å; V89-F96 HydrophobicContact CG2-CD1 4.35Å | ||
| 90 | L | 73.1 | Confident | 76 | Confident | 28 Ų | 28 | 62 Ų | 62 | 15% | 0.147 | 35% | 0.345 | C | S | . | . | trans | -74.3 | 119.2 | 175 | -78.8 | 94 | 0 | 0 | 0 | 109.9 | I47 C92 D94 | I47-L90 HydrophobicContact CD1-CD2 4.12Å; I47-L90 HydrophobicContact CD1-CG 4.39Å; L90-C92 PolarHBondContact O-N 2.97Å; L90-D94 PolarHBondContact O-N 3.44Å | ||
| 91 | P | 65 | Low | 77.1 | Confident | 49 Ų | 49 | 56 Ų | 56 | 32% | 0.318 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 137.4 | 172.1 | 25.3 | -32.4 | 0 | 0 | 0 | 109 | S43 I47 C58 V89 | S43-P91 PolarHBondContact OG-O 3.13Å; I47-P91 HydrophobicContact CD1-CG 4.41Å; I47-P91 HydrophobicContact CG1-CG 4.35Å; C58-P91 WeakPolarHBondContact SG-CD 3.49Å; V89-P91 VanDerWaalsContact O-CD 3.32Å; V89-P91 WeakPolarHBondContact O-CD 3.49Å |
| 92 | C | 68.9 | Low | 78.1 | Confident | 133 Ų | 133 | 60.2 Ų | 60.2 | 90% | 0.899 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.7 | -32 | -179.5 | -50.6 | 0 | 0 | 0 | 0 | 117.9 | L90 | L90-C92 PolarHBondContact O-N 2.97Š|
| 93 | T | 75.7 | Confident | 79 | Confident | 12 Ų | 12 | 59.8 Ų | 59.8 | 7% | 0.074 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -28.9 | -178.6 | 60.7 | 0 | 0 | 0 | 0 | 114.4 | L73 | L73-T93 PolarHBondContact N-O 3.4Å; L73-T93 VanDerWaalsContact N-O 3.14Å |
| 94 | D | 80.7 | Confident | 80.3 | Confident | 11 Ų | 11 | 60.3 Ų | 60.3 | 6% | 0.059 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 120.7 | -172.5 | -66.4 | 2 | 0 | 0 | 0 | 109.1 | I70 F71 R72 V89 L90 | I70-D94 HydrophobicContact CG2-CB 4.17Å; F71-D94 CarbonylContact O-C 3.58Å; F71-D94 WeakPolarHBondContact O-CA 3.37Å; R72-D94 WeakPolarHBondContact CG-OD1 3.25Å; R72-D94 IonicContact CZ-OD1 3.86Å; R72-D94 IonicContact CZ-OD2 3.73Å; R72-D94 IonicContact NE-OD1 2.97Å; R72-D94 PolarHBondContact NE-OD1 3.31Å; R72-D94 IonicContact NE-OD2 3.56Å; R72-D94 IonicContact NH2-OD1 3.83Å; R72-D94 IonicContact NH2-OD2 2.98Å; R72-D94 PolarHBondContact NH2-OD2 2.91Å; V89-D94 HydrophobicContact CG1-CB 3.68Å; L90-D94 PolarHBondContact O-N 3.44Å |
| 95 | N | 82.3 | Confident | 81.4 | Confident | 120 Ų | 120 | 60.8 Ų | 60.8 | 64% | 0.642 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 139.4 | 168.4 | -76.3 | -40.2 | 0 | 0 | 0 | 108.7 | I70 F71 | I70-N95 WeakPolarHBondContact CA-O 3.31Å; F71-N95 HydrophobicContact CB-CB 4.39Å; F71-N95 PolarHBondContact N-O 3.3Å; F71-N95 PolarHBondContact O-N 3.4Å |
| 96 | F | 83.9 | Confident | 82.4 | Confident | 72 Ų | 72 | 60.2 Ų | 60.2 | 32% | 0.316 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 139.2 | 176.5 | 71.7 | -84.4 | 0 | 0 | 0 | 110.3 | V69 I70 V89 K98 | V69-F96 WeakPolarHBondContact O-CA 3.49Å; I70-F96 HydrophobicContact CG1-CB 4.37Å; V89-F96 HydrophobicContact CG1-CD1 4.23Å; V89-F96 HydrophobicContact CG2-CD1 4.35Å; F96-K98 HydrophobicContact CD2-CG 4.02Å; F96-K98 HydrophobicContact CE2-CD 4.37Å; F96-K98 HydrophobicContact CE2-CG 4.02Å |
| 97 | V | 86.1 | Confident | 83.6 | Confident | 59 Ų | 59 | 58.5 Ų | 58.5 | 36% | 0.358 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 127.9 | 171.9 | 179.3 | 0 | 0 | 0 | 0 | 107.7 | A68 V69 F71 V99 V138 | A68-V97 WeakPolarHBondContact CA-O 3.35Å; V69-V97 PolarHBondContact N-O 2.84Å; V69-V97 PolarHBondContact O-N 3.39Å; F71-V97 HydrophobicContact CD2-CG2 4.32Å; F71-V97 HydrophobicContact CE2-CB 4.35Å; F71-V97 HydrophobicContact CE2-CG2 3.88Å; V97-V99 HydrophobicContact CG1-CG2 4.36Å; V97-V138 HydrophobicContact CB-CG1 4.48Å; V97-V138 HydrophobicContact CG1-CG1 4.4Å; V97-V138 HydrophobicContact CG1-CG2 4.13Å; V97-V138 HydrophobicContact CG2-CG1 4.42Å |
| 98 | K | 87.7 | Confident | 84.6 | Confident | 90 Ų | 90 | 57.9 Ų | 57.9 | 39% | 0.391 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 132.2 | 175.5 | -58.1 | -171.5 | 177.6 | -164.3 | 0 | 109.1 | I61 V62 E66 R67 F96 | I61-K98 PolarHBondContact O-NZ 3.03Å; V62-K98 HydrophobicContact CG2-CD 4.22Å; V62-K98 HydrophobicContact CG2-CG 4.43Å; E66-K98 IonicContact OE2-NZ 2.7Å; R67-K98 WeakPolarHBondContact O-CA 3.45Å; F96-K98 HydrophobicContact CD2-CG 4.02Å; F96-K98 HydrophobicContact CE2-CD 4.37Å; F96-K98 HydrophobicContact CE2-CG 4.02Å |
| 99 | V | 88.6 | Confident | 85.6 | Confident | 12 Ų | 12 | 55.3 Ų | 55.3 | 7% | 0.073 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 129.7 | 178.6 | -176.1 | 0 | 0 | 0 | 0 | 108.3 | E66 R67 V97 I131 P134 V138 | E66-V99 WeakPolarHBondContact CA-O 3.34Å; R67-V99 PolarHBondContact N-O 3.27Å; R67-V99 PolarHBondContact O-N 2.88Å; V97-V99 HydrophobicContact CG1-CG2 4.36Å; V99-I131 HydrophobicContact CG1-CB 4.22Å; V99-I131 HydrophobicContact CG1-CD1 3.4Å; V99-I131 HydrophobicContact CG1-CG1 4.39Å; V99-I131 HydrophobicContact CG1-CG2 3.93Å; V99-P134 HydrophobicContact CB-CB 4Å; V99-P134 HydrophobicContact CG1-CB 4.11Å; V99-P134 HydrophobicContact CG2-CB 4.24Å; V99-V138 HydrophobicContact CG2-CG2 3.62Å |
| 100 | D | 89.8 | Confident | 86.5 | Confident | 60 Ų | 60 | 58.2 Ų | 58.2 | 32% | 0.321 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 133.4 | 173.6 | -162.4 | -21.3 | 0 | 0 | 0 | 109.4 | R102 | D100-R102 VanDerWaalsContact OD1-CB 3.31Å; D100-R102 WeakPolarHBondContact OD1-CB 3.16Å; D100-R102 WeakPolarHBondContact OD1-CD 3.28Å; D100-R102 WeakPolarHBondContact OD1-CG 3.35Å; D100-R102 PolarHBondContact OD1-N 2.98Å |
| 101 | L | 88.6 | Confident | 87.4 | Confident | 26 Ų | 26 | 58.4 Ų | 58.4 | 14% | 0.136 | 32% | 0.323 | C | S | . | . | trans | -93.1 | -6.1 | 178 | -61.5 | 179.6 | 0 | 0 | 0 | 113.1 | Y65 R67 I131 P134 | Y65-L101 PolarHBondContact O-N 3.4Å; Y65-L101 VanDerWaalsContact O-N 3.15Å; R67-L101 HydrophobicContact CG-CD1 3.48Å; R67-L101 VanDerWaalsContact CG-CD1 3.48Å; R67-L101 HydrophobicContact CG-CD2 4.13Å; R67-L101 HydrophobicContact CG-CG 3.9Å; L101-I131 WeakPolarHBondContact CD2-O 3.49Å; L101-P134 HydrophobicContact CD2-CG 4.44Å | ||
| 102 | R | 90.9 | Very high | 88.8 | Confident | 131 Ų | 131 | 64.1 Ų | 64.1 | 49% | 0.494 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -66.7 | 153.4 | -178.6 | -69.2 | 168 | 171.8 | -177.3 | -5.1 | 111.8 | Y65 D100 V104 | Y65-R102 VanDerWaalsContact CD1-CZ 3.48Å; Y65-R102 VanDerWaalsContact CG-NE 3.29Å; D100-R102 VanDerWaalsContact OD1-CB 3.31Å; D100-R102 WeakPolarHBondContact OD1-CB 3.16Å; D100-R102 WeakPolarHBondContact OD1-CD 3.28Å; D100-R102 WeakPolarHBondContact OD1-CG 3.35Å; D100-R102 PolarHBondContact OD1-N 2.98Å; R102-V104 PolarHBondContact O-N 3.45Å |
| 103 | T | 92.2 | Very high | 90 | Very high | 65 Ų | 65 | 58.3 Ų | 58.3 | 40% | 0.399 | 31% | 0.306 | S | S | . | . | trans | -62.6 | 123.4 | 168.5 | -52.4 | 0 | 0 | 0 | 0 | 109.2 | F129 E195 | T103-F129 WeakPolarHBondContact CA-O 3.41Å; T103-E195 WeakPolarHBondContact CG2-OE2 3.49Å; T103-E195 VanDerWaalsContact OG1-CD 3.29Å; T103-E195 PolarHBondContact OG1-OE1 3.45Å; T103-E195 PolarHBondContact OG1-OE2 2.89Å | ||
| 104 | V | 93.3 | Very high | 90.9 | Very high | 52 Ų | 52 | 62.4 Ų | 62.4 | 32% | 0.315 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 146 | 174.3 | -71 | 0 | 0 | 0 | 0 | 108.7 | R102 F129 | R102-V104 PolarHBondContact O-N 3.45Å; V104-F129 HydrophobicContact CB-CZ 4.48Å; V104-F129 HydrophobicContact CG2-CD1 4.29Å; V104-F129 HydrophobicContact CG2-CD2 4.14Å; V104-F129 HydrophobicContact CG2-CE1 3.64Å; V104-F129 HydrophobicContact CG2-CE2 3.57Å; V104-F129 HydrophobicContact CG2-CG 4.48Å; V104-F129 HydrophobicContact CG2-CZ 3.28Å; V104-F129 PolarHBondContact N-O 3.22Å; V104-F129 WeakPolarHBondContact O-CD1 3.35Å; V104-F129 PolarHBondContact O-N 2.91Å; V104-F129 VanDerWaalsContact O-N 3.07Å |
| 105 | S | 94.2 | Very high | 91.6 | Very high | 75 Ų | 75 | 62.1 Ų | 62.1 | 52% | 0.524 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 145.3 | 174.3 | 56.1 | 0 | 0 | 0 | 0 | 110.7 | V127 | S105-V127 VanDerWaalsContact CA-O 3.31Å; S105-V127 WeakPolarHBondContact CA-O 3.38Å |
| 106 | F | 95.3 | Very high | 92.2 | Very high | 22 Ų | 22 | 63 Ų | 63 | 10% | 0.096 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 147 | 162.4 | 67.4 | -107.1 | 0 | 0 | 0 | 110.3 | I108 V127 F129 T148 R149 A152 | F106-I108 HydrophobicContact CE2-CG1 4.09Å; F106-V127 HydrophobicContact CE1-CB 4.19Å; F106-V127 HydrophobicContact CE1-CG1 4.45Å; F106-V127 HydrophobicContact CE2-CB 3.97Å; F106-V127 HydrophobicContact CE2-CG2 3.95Å; F106-V127 HydrophobicContact CZ-CB 3.71Å; F106-V127 HydrophobicContact CZ-CG1 4.16Å; F106-V127 HydrophobicContact CZ-CG2 3.96Å; F106-V127 PolarHBondContact N-O 2.98Å; F106-V127 VanDerWaalsContact N-O 3.15Å; F106-V127 PolarHBondContact O-N 3.03Å; F106-F129 AromaticContact CD1-CD1 3.96Å; F106-F129 HydrophobicContact CD1-CD1 3.96Å; F106-F129 AromaticContact CD1-CE1 3.18Å; F106-F129 HydrophobicContact CD1-CE1 3.18Å; F106-F129 AromaticContact CD1-CZ 3.84Å; F106-F129 HydrophobicContact CD1-CZ 3.84Å; F106-F129 AromaticContact CE1-CD1 3.71Å; F106-F129 HydrophobicContact CE1-CD1 3.71Å; F106-F129 AromaticContact CE1-CE1 3.34Å; F106-F129 HydrophobicContact CE1-CE1 3.34Å; F106-F129 AromaticContact CE1-CZ 4Å; F106-F129 HydrophobicContact CE1-CZ 4Å; F106-F129 HydrophobicContact CG-CE1 4.38Å; F106-T148 HydrophobicContact CE1-CG2 3.91Å; F106-T148 HydrophobicContact CZ-CG2 3.99Å; F106-R149 HydrophobicContact CD2-CB 4.43Å; F106-R149 HydrophobicContact CD2-CG 4.11Å; F106-R149 HydrophobicContact CE2-CB 4.17Å; F106-R149 HydrophobicContact CE2-CG 4.1Å; F106-R149 HydrophobicContact CZ-CB 4.42Å; F106-A152 HydrophobicContact CE2-CB 4.06Å; F106-A152 HydrophobicContact CZ-CB 4.09Å |
| 107 | D | 95.2 | Very high | 92.7 | Very high | 87 Ų | 87 | 63.2 Ų | 63.2 | 47% | 0.465 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 136.8 | 172.9 | -54.1 | -60.8 | 0 | 0 | 0 | 110.7 | V126 R149 | D107-V126 VanDerWaalsContact OD1-CG2 3.3Å; D107-V126 WeakPolarHBondContact OD1-CG2 3.27Å; D107-R149 PolarHBondContact O-NH1 3.39Å; D107-R149 VanDerWaalsContact O-NH1 3.08Å; D107-R149 PolarHBondContact O-NH2 2.94Å |
| 108 | I | 95.3 | Very high | 93 | Very high | 3 Ų | 3 | 64.8 Ų | 64.8 | 2% | 0.015 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 123.7 | 165.4 | -58 | 166.4 | 0 | 0 | 0 | 107 | F106 G125 V127 A152 Q153 L156 M179 | F106-I108 HydrophobicContact CE2-CG1 4.09Å; I108-G125 PolarHBondContact N-O 3.49Å; I108-V127 HydrophobicContact CD1-CG2 3.78Å; I108-V127 HydrophobicContact CG1-CG2 4.17Å; I108-A152 HydrophobicContact CD1-CB 3.92Å; I108-A152 HydrophobicContact CG1-CB 4.09Å; I108-Q153 HydrophobicContact CG2-CG 3.83Å; I108-L156 HydrophobicContact CD1-CD2 4.47Å; I108-L156 HydrophobicContact CG2-CD2 3.91Å; I108-M179 HydrophobicContact CD1-CE 3.57Å |
| 109 | P | 94.4 | Very high | 93.2 | Very high | 43 Ų | 43 | 61.7 Ų | 61.7 | 28% | 0.279 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 146.9 | 178.4 | 28.4 | -33.8 | 0 | 0 | 0 | 110.3 | Q111 | P109-Q111 PolarHBondContact O-N 3.02Å; P109-Q111 PolarHBondContact O-NE2 3.28Å |
| 110 | P | 94.9 | Very high | 93.4 | Very high | 73 Ų | 73 | 65 Ų | 65 | 47% | 0.474 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.9 | 127.9 | -178 | -25.1 | 31.4 | 0 | 0 | 0 | 112.3 | D124 | P110-D124 HydrophobicContact CB-CB 4.38Å; P110-D124 HydrophobicContact CG-CB 4.08Å |
| 111 | Q | 93.7 | Very high | 93.6 | Very high | 31 Ų | 31 | 62.3 Ų | 62.3 | 15% | 0.145 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 127.6 | 177.7 | -63.9 | -60 | -58.3 | 0 | 0 | 109.8 | P109 I113 S122 V123 L156 | P109-Q111 PolarHBondContact O-N 3.02Å; P109-Q111 PolarHBondContact O-NE2 3.28Å; Q111-I113 HydrophobicContact CB-CG2 4.21Å; Q111-S122 VanDerWaalsContact O-CA 3.3Å; Q111-S122 WeakPolarHBondContact O-CA 3.42Å; Q111-V123 PolarHBondContact N-O 2.86Å; Q111-V123 PolarHBondContact O-N 3.48Å; Q111-L156 HydrophobicContact CG-CD2 4.38Å |
| 112 | E | 93.8 | Very high | 93.8 | Very high | 169 Ų | 169 | 62.2 Ų | 62.2 | 79% | 0.79 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 121.4 | 167.5 | -67.6 | -174.9 | 175.1 | 0 | 0 | 109.4 | ||
| 113 | I | 93.9 | Very high | 94 | Very high | 12 Ų | 12 | 56 Ų | 56 | 6% | 0.062 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 155.2 | -176 | 56.2 | 158.3 | 0 | 0 | 0 | 110.6 | Q111 T120 V121 R157 L160 | Q111-I113 HydrophobicContact CB-CG2 4.21Å; I113-T120 WeakPolarHBondContact O-CA 3.28Å; I113-V121 HydrophobicContact CD1-CG2 4.04Å; I113-V121 HydrophobicContact CG1-CG2 3.74Å; I113-V121 WeakPolarHBondContact CG1-O 3.41Å; I113-V121 PolarHBondContact N-O 3.43Å; I113-V121 PolarHBondContact O-N 3.42Å; I113-R157 HydrophobicContact CG2-CB 4.27Å; I113-R157 HydrophobicContact CG2-CG 3.91Å; I113-L160 HydrophobicContact CD1-CB 3.15Å; I113-L160 HydrophobicContact CD1-CD1 3.37Å; I113-L160 HydrophobicContact CD1-CG 3.88Å |
| 114 | L | 94.6 | Very high | 94.2 | Very high | 98 Ų | 98 | 53.9 Ų | 53.9 | 51% | 0.513 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 125.1 | 171.6 | -163.4 | 74.4 | 0 | 0 | 0 | 108.6 | S118 T120 | L114-S118 VanDerWaalsContact CD1-C 3.44Å; L114-S118 WeakPolarHBondContact CD1-O 3.3Å; L114-T120 HydrophobicContact CD1-CG2 3.8Å |
| 115 | T | 94.8 | Very high | 94.2 | Very high | 4 Ų | 4 | 51.5 Ų | 51.5 | 3% | 0.025 | 29% | 0.287 | C | S | . | . | trans | -75.4 | 171.3 | 172.2 | 63.1 | 0 | 0 | 0 | 0 | 111 | D117 S118 V119 V121 L168 | T115-D117 PolarHBondContact O-N 2.88Å; T115-S118 PolarHBondContact O-N 2.96Å; T115-V119 PolarHBondContact N-O 3.3Å; T115-V119 PolarHBondContact OG1-N 3.37Å; T115-V119 PolarHBondContact OG1-O 2.91Å; T115-V121 HydrophobicContact CG2-CG1 4.33Å; T115-V121 HydrophobicContact CG2-CG2 3.67Å; T115-L168 HydrophobicContact CG2-CD1 3.57Å | ||
| 116 | K | 94.8 | Very high | 94.3 | Very high | 140 Ų | 140 | 48.7 Ų | 48.7 | 61% | 0.609 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -28 | 175.3 | 179.9 | 171.1 | 166.4 | -165.8 | 0 | 113.4 | S118 T162 K163 N164 | K116-S118 PolarHBondContact O-N 2.98Å; K116-T162 WeakPolarHBondContact CD-O 3.43Å; K116-K163 WeakPolarHBondContact CB-O 3.31Å; K116-K163 PolarHBondContact N-O 3.18Å; K116-K163 VanDerWaalsContact N-O 3.11Å; K116-N164 WeakPolarHBondContact CB-OD1 3.34Å; K116-N164 VanDerWaalsContact CD-OD1 3.31Å; K116-N164 WeakPolarHBondContact CD-OD1 3.09Å; K116-N164 WeakPolarHBondContact CG-OD1 3.36Å |
| 117 | D | 94.4 | Very high | 94.4 | Very high | 75 Ų | 75 | 47.6 Ų | 47.6 | 40% | 0.401 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 12.2 | 176.9 | -55.2 | -41.9 | 0 | 0 | 0 | 113.3 | T115 V119 N164 L165 | T115-D117 PolarHBondContact O-N 2.88Å; D117-V119 HydrophobicContact CB-CG2 4.38Å; D117-V119 PolarHBondContact O-N 3.02Å; D117-N164 VanDerWaalsContact OD1-CG 3.31Å; D117-N164 PolarHBondContact OD1-ND2 3.49Å; D117-N164 PolarHBondContact OD1-OD1 3.41Å; D117-N164 WeakPolarHBondContact OD2-CA 3.42Å; D117-N164 WeakPolarHBondContact OD2-CB 3.38Å; D117-L165 PolarHBondContact OD2-N 3.38Å |
| 118 | S | 92.4 | Very high | 94.5 | Very high | 92 Ų | 92 | 46.6 Ų | 46.6 | 64% | 0.643 | 25% | 0.252 | S | S | * | . | S | Bend | trans | 60.6 | 30.2 | -177.7 | -54 | 0 | 0 | 0 | 0 | 114.1 | L114 T115 K116 | L114-S118 VanDerWaalsContact CD1-C 3.44Å; L114-S118 WeakPolarHBondContact CD1-O 3.3Å; T115-S118 PolarHBondContact O-N 2.96Å; K116-S118 PolarHBondContact O-N 2.98Å |
| 119 | V | 92.1 | Very high | 94.4 | Very high | 26 Ų | 26 | 46.5 Ų | 46.5 | 16% | 0.158 | 25% | 0.251 | C | S | . | . | trans | -98.8 | 131.2 | 174.2 | -179.5 | 0 | 0 | 0 | 0 | 109.9 | T115 D117 V121 L165 L204 L208 | T115-V119 PolarHBondContact N-O 3.3Å; T115-V119 PolarHBondContact OG1-N 3.37Å; T115-V119 PolarHBondContact OG1-O 2.91Å; D117-V119 HydrophobicContact CB-CG2 4.38Å; D117-V119 PolarHBondContact O-N 3.02Å; V119-V121 HydrophobicContact CG1-CG1 4.05Å; V119-L165 HydrophobicContact CB-CD2 4.5Å; V119-L165 HydrophobicContact CG1-CD2 4.18Å; V119-L165 HydrophobicContact CG2-CD2 4.29Å; V119-L204 HydrophobicContact CG1-CD2 4.43Å; V119-L208 HydrophobicContact CG1-CD2 3.42Å; V119-L208 VanDerWaalsContact CG1-CD2 3.42Å | ||
| 120 | T | 92.8 | Very high | 94.4 | Very high | 82 Ų | 82 | 46.6 Ų | 46.6 | 50% | 0.503 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 122.5 | 172.2 | 51.7 | 0 | 0 | 0 | 0 | 109.9 | I113 L114 P205 | I113-T120 WeakPolarHBondContact O-CA 3.28Å; L114-T120 HydrophobicContact CD1-CG2 3.8Å; T120-P205 WeakPolarHBondContact O-CD 3.39Å |
| 121 | V | 93.9 | Very high | 94.2 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 146.3 | 176.2 | -63.3 | 0 | 0 | 0 | 0 | 109.9 | I113 T115 V119 V123 L165 L168 V202 L204 | I113-V121 HydrophobicContact CD1-CG2 4.04Å; I113-V121 HydrophobicContact CG1-CG2 3.74Å; I113-V121 WeakPolarHBondContact CG1-O 3.41Å; I113-V121 PolarHBondContact N-O 3.43Å; I113-V121 PolarHBondContact O-N 3.42Å; T115-V121 HydrophobicContact CG2-CG1 4.33Å; T115-V121 HydrophobicContact CG2-CG2 3.67Å; V119-V121 HydrophobicContact CG1-CG1 4.05Å; V121-V123 HydrophobicContact CB-CG2 4.44Å; V121-V123 HydrophobicContact CG2-CG2 3.97Å; V121-L165 HydrophobicContact CG1-CD1 3.92Å; V121-L168 HydrophobicContact CG2-CD1 4.15Å; V121-V202 HydrophobicContact CB-CG1 4.3Å; V121-V202 HydrophobicContact CG1-CG1 4.47Å; V121-L204 HydrophobicContact CG1-CD2 3.91Å |
| 122 | S | 94.3 | Very high | 94 | Very high | 24 Ų | 24 | 43.5 Ų | 43.5 | 17% | 0.168 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 118.6 | 170.9 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | Q111 K203 | Q111-S122 VanDerWaalsContact O-CA 3.3Å; Q111-S122 WeakPolarHBondContact O-CA 3.42Å; S122-K203 PolarHBondContact N-O 3.32Å; S122-K203 PolarHBondContact O-N 3.06Å |
| 123 | V | 94.6 | Very high | 93.7 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 135 | -176.8 | -175.8 | 0 | 0 | 0 | 0 | 110.1 | Q111 V121 L160 I199 D201 V202 | Q111-V123 PolarHBondContact N-O 2.86Å; Q111-V123 PolarHBondContact O-N 3.48Å; V121-V123 HydrophobicContact CB-CG2 4.44Å; V121-V123 HydrophobicContact CG2-CG2 3.97Å; V123-L160 HydrophobicContact CB-CD1 3.8Å; V123-L160 HydrophobicContact CG1-CD1 3.82Å; V123-L160 HydrophobicContact CG2-CD1 3.95Å; V123-I199 HydrophobicContact CG1-CG2 3.8Å; V123-D201 WeakPolarHBondContact CA-O 3.41Å; V123-V202 HydrophobicContact CG1-CG2 4.25Å; V123-V202 HydrophobicContact CG2-CB 4.37Å; V123-V202 HydrophobicContact CG2-CG1 4.01Å; V123-V202 HydrophobicContact CG2-CG2 4.02Å |
| 124 | D | 94.9 | Very high | 93.3 | Very high | 20 Ų | 20 | 35.3 Ų | 35.3 | 11% | 0.107 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 167.3 | 167.1 | 64.7 | 5.5 | 0 | 0 | 0 | 111.3 | P110 K200 D201 | P110-D124 HydrophobicContact CB-CB 4.38Å; P110-D124 HydrophobicContact CG-CB 4.08Å; D124-K200 PolarHBondContact O-N 3.41Å; D124-K200 WeakPolarHBondContact OD1-CB 3.49Å; D124-D201 PolarHBondContact N-O 3.23Å; D124-D201 WeakPolarHBondContact OD1-CA 3.19Å; D124-D201 WeakPolarHBondContact OD1-CB 3.14Å; D124-D201 PolarHBondContact OD1-N 2.95Å |
| 125 | G | 95 | Very high | 93 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.9 | 172.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I108 E198 | I108-G125 PolarHBondContact N-O 3.49Å; G125-E198 CarbonylContact C-O 3.56Å; G125-E198 WeakPolarHBondContact CA-O 3.31Å |
| 126 | V | 96.4 | Very high | 92.6 | Very high | 15 Ų | 15 | 31.1 Ų | 31.1 | 9% | 0.091 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 136.8 | -178.7 | -172.1 | 0 | 0 | 0 | 0 | 108.8 | D107 Y128 E198 | D107-V126 VanDerWaalsContact OD1-CG2 3.3Å; D107-V126 WeakPolarHBondContact OD1-CG2 3.27Å; V126-Y128 HydrophobicContact CB-CE2 4.24Å; V126-Y128 HydrophobicContact CG1-CD2 4.36Å; V126-Y128 HydrophobicContact CG1-CE2 3.9Å; V126-E198 PolarHBondContact N-O 3.43Å; V126-E198 PolarHBondContact O-N 3.47Å |
| 127 | V | 96.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 129.2 | 175.1 | -177.5 | 0 | 0 | 0 | 0 | 108.4 | S105 F106 I108 F129 A152 L183 V194 V197 | S105-V127 VanDerWaalsContact CA-O 3.31Å; S105-V127 WeakPolarHBondContact CA-O 3.38Å; F106-V127 HydrophobicContact CE1-CB 4.19Å; F106-V127 HydrophobicContact CE1-CG1 4.45Å; F106-V127 HydrophobicContact CE2-CB 3.97Å; F106-V127 HydrophobicContact CE2-CG2 3.95Å; F106-V127 HydrophobicContact CZ-CB 3.71Å; F106-V127 HydrophobicContact CZ-CG1 4.16Å; F106-V127 HydrophobicContact CZ-CG2 3.96Å; F106-V127 PolarHBondContact N-O 2.98Å; F106-V127 VanDerWaalsContact N-O 3.15Å; F106-V127 PolarHBondContact O-N 3.03Å; I108-V127 HydrophobicContact CD1-CG2 3.78Å; I108-V127 HydrophobicContact CG1-CG2 4.17Å; V127-F129 HydrophobicContact CG1-CD1 4.36Å; V127-A152 HydrophobicContact CG2-CB 4.15Å; V127-L183 HydrophobicContact CG2-CD1 4.31Å; V127-V194 HydrophobicContact CG1-CG1 3.93Å; V127-V197 HydrophobicContact CG1-CG2 4.34Å; V127-V197 HydrophobicContact CG2-CG1 4.36Å; V127-V197 HydrophobicContact CG2-CG2 4.36Å |
| 128 | Y | 96.1 | Very high | 91.9 | Very high | 65 Ų | 65 | 23.2 Ų | 23.2 | 26% | 0.255 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 124 | 171.4 | -53.5 | -104.8 | 0 | 0 | 0 | 108.4 | V126 E195 R196 E198 | V126-Y128 HydrophobicContact CB-CE2 4.24Å; V126-Y128 HydrophobicContact CG1-CD2 4.36Å; V126-Y128 HydrophobicContact CG1-CE2 3.9Å; Y128-E195 PolarHBondContact O-N 3.11Å; Y128-R196 HydrophobicContact CD2-CG 3.23Å; Y128-R196 HydrophobicContact CE2-CG 3.91Å; Y128-R196 HydrophobicContact CG-CG 3.78Å; Y128-R196 PolarHBondContact N-O 3.4Å; Y128-R196 PolarHBondContact O-N 3.04Å; Y128-E198 HydrophobicContact CE2-CB 4.45Å; Y128-E198 HydrophobicContact CE2-CG 4.13Å; Y128-E198 WeakPolarHBondContact CE2-OE2 3.47Å; Y128-E198 PolarHBondContact OH-OE2 3.07Å; Y128-E198 VanDerWaalsContact OH-OE2 3.09Å |
| 129 | F | 95 | Very high | 91.5 | Very high | 2 Ų | 2 | 21.1 Ų | 21.1 | 1% | 0.009 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 156.6 | -178.5 | 66.2 | -73.9 | 0 | 0 | 0 | 109.2 | T103 V104 F106 V127 H145 I192 K193 V194 | T103-F129 WeakPolarHBondContact CA-O 3.41Å; V104-F129 HydrophobicContact CB-CZ 4.48Å; V104-F129 HydrophobicContact CG2-CD1 4.29Å; V104-F129 HydrophobicContact CG2-CD2 4.14Å; V104-F129 HydrophobicContact CG2-CE1 3.64Å; V104-F129 HydrophobicContact CG2-CE2 3.57Å; V104-F129 HydrophobicContact CG2-CG 4.48Å; V104-F129 HydrophobicContact CG2-CZ 3.28Å; V104-F129 PolarHBondContact N-O 3.22Å; V104-F129 WeakPolarHBondContact O-CD1 3.35Å; V104-F129 PolarHBondContact O-N 2.91Å; V104-F129 VanDerWaalsContact O-N 3.07Å; F106-F129 AromaticContact CD1-CD1 3.96Å; F106-F129 HydrophobicContact CD1-CD1 3.96Å; F106-F129 AromaticContact CD1-CE1 3.18Å; F106-F129 HydrophobicContact CD1-CE1 3.18Å; F106-F129 AromaticContact CD1-CZ 3.84Å; F106-F129 HydrophobicContact CD1-CZ 3.84Å; F106-F129 AromaticContact CE1-CD1 3.71Å; F106-F129 HydrophobicContact CE1-CD1 3.71Å; F106-F129 AromaticContact CE1-CE1 3.34Å; F106-F129 HydrophobicContact CE1-CE1 3.34Å; F106-F129 AromaticContact CE1-CZ 4Å; F106-F129 HydrophobicContact CE1-CZ 4Å; F106-F129 HydrophobicContact CG-CE1 4.38Å; V127-F129 HydrophobicContact CG1-CD1 4.36Å; F129-H145 AromaticContact CE2-CE1 3.94Å; F129-H145 AromaticContact CE2-ND1 3.59Å; F129-H145 AromaticContact CZ-CE1 3.98Å; F129-H145 AromaticContact CZ-ND1 3.38Å; F129-H145 WeakPolarHBondContact CZ-ND1 3.44Å; F129-I192 HydrophobicContact CB-CG2 3.83Å; F129-I192 HydrophobicContact CD2-CD1 4.47Å; F129-I192 HydrophobicContact CD2-CG1 4.49Å; F129-I192 HydrophobicContact CD2-CG2 3.58Å; F129-I192 HydrophobicContact CG-CG2 4.04Å; F129-K193 CarbonylContact C-O 3.46Å; F129-K193 VanDerWaalsContact CA-O 3.24Å; F129-K193 WeakPolarHBondContact CA-O 3.3Å; F129-K193 WeakPolarHBondContact CB-O 3.34Å; F129-V194 HydrophobicContact CB-CG2 4.38Å |
| 130 | R | 93.4 | Very high | 91.2 | Very high | 44 Ų | 44 | 22.9 Ų | 22.9 | 17% | 0.166 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 151.2 | 172 | 63.2 | 173.4 | 177.6 | 107.4 | 2.6 | 109.9 | D13 H132 K193 E195 | D13-R130 IonicContact OD2-NH1 3.71Å; D13-R130 IonicContact OD2-NH2 3.18Å; D13-R130 PolarHBondContact OD2-NH2 3.19Å; R130-H132 PolarHBondContact O-N 3.32Å; R130-K193 HydrophobicContact CG-CB 4.29Å; R130-K193 PolarHBondContact N-O 3.11Å; R130-K193 PolarHBondContact O-N 3.02Å; R130-E195 WeakPolarHBondContact CD-OE1 3.48Å; R130-E195 HydrophobicContact CG-CG 4.26Å; R130-E195 IonicContact NE-OE1 2.56Å; R130-E195 PolarHBondContact NE-OE1 3.46Å |
| 131 | I | 91.7 | Very high | 91 | Very high | 10 Ų | 10 | 19.9 Ų | 19.9 | 5% | 0.051 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 116.2 | 172.5 | -61.5 | 171 | 0 | 0 | 0 | 107.4 | V99 L101 P134 A137 I192 | V99-I131 HydrophobicContact CG1-CB 4.22Å; V99-I131 HydrophobicContact CG1-CD1 3.4Å; V99-I131 HydrophobicContact CG1-CG1 4.39Å; V99-I131 HydrophobicContact CG1-CG2 3.93Å; L101-I131 WeakPolarHBondContact CD2-O 3.49Å; I131-P134 HydrophobicContact CG2-CB 4.5Å; I131-A137 HydrophobicContact CG2-CB 3.79Å; I131-I192 HydrophobicContact CG1-CG1 4.31Å |
| 132 | H | 87.8 | Confident | 90.5 | Very high | 29 Ų | 29 | 25.2 Ų | 25.2 | 13% | 0.134 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -91.7 | -39.1 | 177.9 | 170.1 | -99.6 | 0 | 0 | 0 | 111.3 | D13 R130 G191 K193 | D13-H132 WeakPolarHBondContact CA-NE2 3.4Å; D13-H132 WeakPolarHBondContact CB-NE2 3.44Å; D13-H132 VanDerWaalsContact CG-CD2 3.47Å; D13-H132 PolarHBondContact O-CE1 3.23Å; D13-H132 PolarHBondContact O-NE2 3.31Å; D13-H132 VanDerWaalsContact O-NE2 3.12Å; D13-H132 IonicContact OD1-NE2 3.75Å; D13-H132 IonicContact OD2-CD2 3.14Å; D13-H132 PolarHBondContact OD2-CD2 3.17Å; D13-H132 VanDerWaalsContact OD2-CD2 3.32Å; D13-H132 IonicContact OD2-NE2 3.37Å; D13-H132 PolarHBondContact OD2-NE2 2.96Å; R130-H132 PolarHBondContact O-N 3.32Å; H132-G191 PolarHBondContact N-O 3.2Å; H132-K193 HydrophobicContact CB-CB 4.29Å |
| 133 | C | 87.5 | Confident | 90.2 | Very high | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.034 | 17% | 0.167 | C | C | . | . | trans | -120.1 | 94.3 | -178.6 | -163.4 | 0 | 0 | 0 | 0 | 110.6 | C17 I135 S136 A137 G191 | C17-C133 HydrophobicContact CB-CB 3.81Å; C17-C133 WeakPolarHBondContact CB-SG 3.4Å; C17-C133 VanDerWaalsContact SG-CA 3.53Å; C17-C133 WeakPolarHBondContact SG-CB 3.49Å; C17-C133 CovalentContact SG-SG 2.04Å; C17-C133 PolarHBondContact SG-SG 2.88Å; C133-I135 VanDerWaalsContact C-N 3.27Å; C133-I135 PolarHBondContact O-N 3.47Å; C133-S136 PolarHBondContact O-N 3.11Å; C133-S136 PolarHBondContact SG-OG 3.41Å; C133-A137 PolarHBondContact O-N 3.04Å; C133-A137 VanDerWaalsContact O-N 3.14Å; C133-G191 PolarHBondContact N-O 3.37Å | ||
| 134 | P | 86.9 | Confident | 89.9 | Confident | 4 Ų | 4 | 29.5 Ų | 29.5 | 3% | 0.026 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.4 | -25.5 | -172.9 | 26.5 | -35.5 | 0 | 0 | 0 | 113.3 | R67 V69 P81 V99 L101 I131 V138 | R67-P134 HydrophobicContact CB-CB 4.32Å; R67-P134 HydrophobicContact CB-CG 4.02Å; R67-P134 HydrophobicContact CG-CG 4.39Å; V69-P134 HydrophobicContact CG2-CB 4.09Å; P81-P134 HydrophobicContact CB-CG 3.8Å; P81-P134 HydrophobicContact CG-CG 4.01Å; V99-P134 HydrophobicContact CB-CB 4Å; V99-P134 HydrophobicContact CG1-CB 4.11Å; V99-P134 HydrophobicContact CG2-CB 4.24Å; L101-P134 HydrophobicContact CD2-CG 4.44Å; I131-P134 HydrophobicContact CG2-CB 4.5Å; P134-V138 WeakPolarHBondContact O-CG2 3.48Å; P134-V138 PolarHBondContact O-N 2.75Å |
| 135 | I | 86.8 | Confident | 89.7 | Confident | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.015 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.8 | -51.5 | 176.5 | -58.8 | 176.7 | 0 | 0 | 0 | 110 | F21 V69 I76 P81 C133 A137 V138 A139 | F21-I135 HydrophobicContact CD2-CG2 3.95Å; F21-I135 HydrophobicContact CE1-CG2 4.25Å; F21-I135 HydrophobicContact CE2-CB 4.4Å; F21-I135 HydrophobicContact CE2-CG2 3.35Å; F21-I135 HydrophobicContact CZ-CG2 3.53Å; V69-I135 HydrophobicContact CG2-CG1 4.44Å; I76-I135 HydrophobicContact CD1-CG2 3.87Å; I76-I135 HydrophobicContact CG2-CG2 4.36Å; P81-I135 HydrophobicContact CB-CG1 4.42Å; C133-I135 VanDerWaalsContact C-N 3.27Å; C133-I135 PolarHBondContact O-N 3.47Å; I135-A137 VanDerWaalsContact C-N 3.31Å; I135-A137 PolarHBondContact O-N 2.83Å; I135-V138 PolarHBondContact O-N 3.19Å; I135-A139 WeakPolarHBondContact O-CB 3.32Å; I135-A139 PolarHBondContact O-N 2.77Å |
| 136 | S | 86.3 | Confident | 89.5 | Confident | 11 Ų | 11 | 36.6 Ų | 36.6 | 8% | 0.077 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.4 | -38.1 | 178.7 | -57.4 | 0 | 0 | 0 | 0 | 112.1 | C133 V138 A139 N140 W190 | C133-S136 PolarHBondContact O-N 3.11Å; C133-S136 PolarHBondContact SG-OG 3.41Å; S136-V138 VanDerWaalsContact C-N 3.27Å; S136-V138 PolarHBondContact O-N 2.88Å; S136-A139 PolarHBondContact O-N 3.22Å; S136-N140 VanDerWaalsContact O-CB 3.29Å; S136-N140 WeakPolarHBondContact O-CB 3.27Å; S136-N140 PolarHBondContact O-N 3.1Å; S136-W190 CarbonylContact C-O 3.48Å |
| 137 | A | 87.4 | Confident | 89.4 | Confident | 6 Ų | 6 | 37.6 Ų | 37.6 | 5% | 0.05 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.4 | -32.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | I131 C133 I135 W190 | I131-A137 HydrophobicContact CG2-CB 3.79Å; C133-A137 PolarHBondContact O-N 3.04Å; C133-A137 VanDerWaalsContact O-N 3.14Å; I135-A137 VanDerWaalsContact C-N 3.31Å; I135-A137 PolarHBondContact O-N 2.83Å; A137-W190 WeakPolarHBondContact CA-O 3.35Å; A137-W190 WeakPolarHBondContact CB-O 3.27Å; A137-W190 PolarHBondContact N-O 3.12Å; A137-W190 VanDerWaalsContact N-O 3.08Å |
| 138 | V | 87.4 | Confident | 89.2 | Confident | 44 Ų | 44 | 37.6 Ų | 37.6 | 27% | 0.267 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -93.1 | -30.5 | 178.2 | -174.8 | 0 | 0 | 0 | 0 | 111.9 | V69 F71 V97 V99 P134 I135 S136 | V69-V138 HydrophobicContact CG2-CG2 4.46Å; F71-V138 HydrophobicContact CE2-CG1 3.82Å; F71-V138 HydrophobicContact CZ-CB 4.28Å; F71-V138 HydrophobicContact CZ-CG1 3.53Å; V97-V138 HydrophobicContact CB-CG1 4.48Å; V97-V138 HydrophobicContact CG1-CG1 4.4Å; V97-V138 HydrophobicContact CG1-CG2 4.13Å; V97-V138 HydrophobicContact CG2-CG1 4.42Å; V99-V138 HydrophobicContact CG2-CG2 3.62Å; P134-V138 WeakPolarHBondContact O-CG2 3.48Å; P134-V138 PolarHBondContact O-N 2.75Å; I135-V138 PolarHBondContact O-N 3.19Å; S136-V138 VanDerWaalsContact C-N 3.27Å; S136-V138 PolarHBondContact O-N 2.88Å |
| 139 | A | 85.7 | Confident | 89.1 | Confident | 48 Ų | 48 | 38.8 Ų | 38.8 | 40% | 0.397 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -84 | -38.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | I76 I135 S136 | I76-A139 HydrophobicContact CD1-CB 4.17Å; I135-A139 WeakPolarHBondContact O-CB 3.32Å; I135-A139 PolarHBondContact O-N 2.77Å; S136-A139 PolarHBondContact O-N 3.22Å |
| 140 | N | 85.4 | Confident | 89.1 | Confident | 63 Ų | 63 | 43.8 Ų | 43.8 | 34% | 0.337 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -92.4 | -20.1 | -168.3 | -64.8 | -13.4 | 0 | 0 | 0 | 113.3 | S136 P189 | S136-N140 VanDerWaalsContact O-CB 3.29Å; S136-N140 WeakPolarHBondContact O-CB 3.27Å; S136-N140 PolarHBondContact O-N 3.1Å; N140-P189 PolarHBondContact ND2-O 3.24Å |
| 141 | V | 87.5 | Confident | 89.2 | Confident | 19 Ų | 19 | 43.7 Ų | 43.7 | 12% | 0.115 | 25% | 0.251 | C | S | . | . | trans | -138.5 | 140.4 | -179.6 | 168.3 | 0 | 0 | 0 | 0 | 110.3 | N143 A144 S147 W190 | V141-N143 VanDerWaalsContact CG1-C 3.45Å; V141-A144 HydrophobicContact CG1-CB 4.47Å; V141-S147 WeakPolarHBondContact CG1-OG 3.3Å; V141-W190 HydrophobicContact CG2-CB 4.41Å; V141-W190 HydrophobicContact CG2-CD2 3.73Å; V141-W190 HydrophobicContact CG2-CG 3.58Å; V141-W190 HydrophobicContact CG2-CZ2 4.32Å; V141-W190 VanDerWaalsContact CG2-NE1 3.29Å | ||
| 142 | S | 84.3 | Confident | 89.4 | Confident | 114 Ų | 114 | 43.2 Ų | 43.2 | 80% | 0.797 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -63.2 | -49.1 | 176.7 | 56.1 | 0 | 0 | 0 | 0 | 112.6 | ||
| 143 | N | 88.2 | Confident | 89.7 | Confident | 104 Ų | 104 | 43.7 Ų | 43.7 | 56% | 0.556 | 25% | 0.251 | S | S | * | . | trans | -135.4 | 93.6 | 177.2 | -73.8 | -49.7 | 0 | 0 | 0 | 110.7 | V141 H145 S146 S147 | V141-N143 VanDerWaalsContact CG1-C 3.45Å; N143-H145 VanDerWaalsContact C-N 3.33Å; N143-H145 PolarHBondContact O-N 3.26Å; N143-S146 PolarHBondContact O-N 3.19Å; N143-S147 PolarHBondContact O-N 2.82Å; N143-S147 VanDerWaalsContact O-N 3.07Å; N143-S147 PolarHBondContact O-OG 3.39Å | ||
| 144 | A | 88.1 | Confident | 90.1 | Very high | 11 Ų | 11 | 46.9 Ų | 46.9 | 9% | 0.091 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.9 | -44.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V141 S146 S147 T148 I192 | V141-A144 HydrophobicContact CG1-CB 4.47Å; A144-S146 PolarHBondContact O-N 3.09Å; A144-S147 PolarHBondContact O-N 3.21Å; A144-T148 WeakPolarHBondContact O-CB 3.49Å; A144-T148 PolarHBondContact O-N 3.02Å; A144-T148 PolarHBondContact O-OG1 3.3Å; A144-I192 HydrophobicContact CB-CD1 3.81Å |
| 145 | H | 90.1 | Very high | 90.5 | Very high | 103 Ų | 103 | 47.4 Ų | 47.4 | 48% | 0.477 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.4 | -46 | 177.7 | -61.4 | -61.4 | 0 | 0 | 0 | 113.8 | F129 N143 R149 | F129-H145 AromaticContact CE2-CE1 3.94Å; F129-H145 AromaticContact CE2-ND1 3.59Å; F129-H145 AromaticContact CZ-CE1 3.98Å; F129-H145 AromaticContact CZ-ND1 3.38Å; F129-H145 WeakPolarHBondContact CZ-ND1 3.44Å; N143-H145 VanDerWaalsContact C-N 3.33Å; N143-H145 PolarHBondContact O-N 3.26Å; H145-R149 WeakPolarHBondContact O-CB 3.31Å; H145-R149 PolarHBondContact O-N 3.42Å |
| 146 | S | 91.6 | Very high | 90.9 | Very high | 69 Ų | 69 | 47.3 Ų | 47.3 | 48% | 0.483 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -70.1 | -42.1 | -178.1 | -57.7 | 0 | 0 | 0 | 0 | 111.7 | N143 A144 R149 L150 | N143-S146 PolarHBondContact O-N 3.19Å; A144-S146 PolarHBondContact O-N 3.09Å; S146-R149 PolarHBondContact O-N 2.72Å; S146-L150 WeakPolarHBondContact O-CG 3.18Å; S146-L150 PolarHBondContact O-N 3.03Å; S146-L150 VanDerWaalsContact O-N 3.11Å |
| 147 | S | 93.2 | Very high | 91.3 | Very high | 35 Ų | 35 | 52.9 Ų | 52.9 | 25% | 0.245 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 176.9 | -63.8 | 0 | 0 | 0 | 0 | 111.7 | V141 N143 A144 R149 L150 L151 | V141-S147 WeakPolarHBondContact CG1-OG 3.3Å; N143-S147 PolarHBondContact O-N 2.82Å; N143-S147 VanDerWaalsContact O-N 3.07Å; N143-S147 PolarHBondContact O-OG 3.39Å; A144-S147 PolarHBondContact O-N 3.21Å; S147-R149 VanDerWaalsContact C-N 3.3Å; S147-R149 PolarHBondContact O-N 3Å; S147-L150 PolarHBondContact O-N 3.05Å; S147-L151 WeakPolarHBondContact O-CB 3.43Å; S147-L151 PolarHBondContact O-N 3.19Å |
| 148 | T | 93.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.5 | -36.3 | 175.5 | -56.7 | 0 | 0 | 0 | 0 | 111.9 | F106 A144 L151 A152 T187 I192 | F106-T148 HydrophobicContact CE1-CG2 3.91Å; F106-T148 HydrophobicContact CZ-CG2 3.99Å; A144-T148 WeakPolarHBondContact O-CB 3.49Å; A144-T148 PolarHBondContact O-N 3.02Å; A144-T148 PolarHBondContact O-OG1 3.3Å; T148-L151 PolarHBondContact O-N 2.76Å; T148-A152 VanDerWaalsContact O-CB 3.28Å; T148-A152 WeakPolarHBondContact O-CB 3.14Å; T148-A152 PolarHBondContact O-N 3.27Å; T148-T187 HydrophobicContact CG2-CG2 4.04Å; T148-I192 VanDerWaalsContact OG1-CD1 3.32Å; T148-I192 WeakPolarHBondContact OG1-CD1 3.23Å |
| 149 | R | 94.5 | Very high | 91.9 | Very high | 91 Ų | 91 | 56.1 Ų | 56.1 | 34% | 0.343 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 175.8 | -169.3 | -178.4 | -172.9 | 105 | 0.2 | 112.6 | F106 D107 H145 S146 S147 A152 Q153 | F106-R149 HydrophobicContact CD2-CB 4.43Å; F106-R149 HydrophobicContact CD2-CG 4.11Å; F106-R149 HydrophobicContact CE2-CB 4.17Å; F106-R149 HydrophobicContact CE2-CG 4.1Å; F106-R149 HydrophobicContact CZ-CB 4.42Å; D107-R149 PolarHBondContact O-NH1 3.39Å; D107-R149 VanDerWaalsContact O-NH1 3.08Å; D107-R149 PolarHBondContact O-NH2 2.94Å; H145-R149 WeakPolarHBondContact O-CB 3.31Å; H145-R149 PolarHBondContact O-N 3.42Å; S146-R149 PolarHBondContact O-N 2.72Å; S147-R149 VanDerWaalsContact C-N 3.3Å; S147-R149 PolarHBondContact O-N 3Å; R149-A152 PolarHBondContact O-N 3.14Å; R149-Q153 WeakPolarHBondContact O-CG 3.04Å; R149-Q153 PolarHBondContact O-N 3.45Å; R149-Q153 VanDerWaalsContact O-N 3.11Å |
| 150 | L | 94.6 | Very high | 92.3 | Very high | 106 Ų | 106 | 54 Ų | 54 | 56% | 0.555 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -67.2 | -40.1 | 176.9 | -69.3 | 171.6 | 0 | 0 | 0 | 111.7 | S146 S147 Q153 T154 | S146-L150 WeakPolarHBondContact O-CG 3.18Å; S146-L150 PolarHBondContact O-N 3.03Å; S146-L150 VanDerWaalsContact O-N 3.11Å; S147-L150 PolarHBondContact O-N 3.05Å; L150-Q153 PolarHBondContact O-N 3.28Å; L150-T154 PolarHBondContact O-N 2.94Å; L150-T154 VanDerWaalsContact O-N 3.11Å; L150-T154 PolarHBondContact O-OG1 3.46Å |
| 151 | L | 95 | Very high | 92.7 | Very high | 43 Ų | 43 | 52.5 Ų | 52.5 | 23% | 0.225 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.2 | -47.4 | 174.9 | -177.2 | 64 | 0 | 0 | 0 | 110.7 | S147 T148 Q153 T154 T155 L183 A186 T187 W190 | S147-L151 WeakPolarHBondContact O-CB 3.43Å; S147-L151 PolarHBondContact O-N 3.19Å; T148-L151 PolarHBondContact O-N 2.76Å; L151-Q153 VanDerWaalsContact C-N 3.31Å; L151-Q153 PolarHBondContact O-N 2.93Å; L151-T154 PolarHBondContact O-N 2.97Å; L151-T155 PolarHBondContact O-N 2.81Å; L151-T155 PolarHBondContact O-OG1 3.08Å; L151-T155 VanDerWaalsContact O-OG1 3.04Å; L151-L183 HydrophobicContact CB-CD2 4.48Å; L151-L183 HydrophobicContact CD2-CD2 4.11Å; L151-L183 HydrophobicContact CG-CD2 3.83Å; L151-A186 HydrophobicContact CD1-CB 4.46Å; L151-A186 HydrophobicContact CD2-CB 3.7Å; L151-T187 HydrophobicContact CD2-CG2 3.73Å; L151-W190 HydrophobicContact CB-CH2 4.43Å; L151-W190 HydrophobicContact CD2-CH2 3.85Å; L151-W190 HydrophobicContact CD2-CZ3 3.86Å |
| 152 | A | 95.6 | Very high | 93 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.4 | -41.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | F106 I108 V127 T148 R149 T154 L156 M179 L183 | F106-A152 HydrophobicContact CE2-CB 4.06Å; F106-A152 HydrophobicContact CZ-CB 4.09Å; I108-A152 HydrophobicContact CD1-CB 3.92Å; I108-A152 HydrophobicContact CG1-CB 4.09Å; V127-A152 HydrophobicContact CG2-CB 4.15Å; T148-A152 VanDerWaalsContact O-CB 3.28Å; T148-A152 WeakPolarHBondContact O-CB 3.14Å; T148-A152 PolarHBondContact O-N 3.27Å; R149-A152 PolarHBondContact O-N 3.14Å; A152-T154 VanDerWaalsContact C-N 3.34Å; A152-T154 PolarHBondContact O-N 2.96Å; A152-L156 WeakPolarHBondContact O-CB 3.21Å; A152-L156 PolarHBondContact O-N 3.04Å; A152-M179 HydrophobicContact CB-CE 4.46Å; A152-L183 HydrophobicContact CB-CD1 4.18Å; A152-L183 HydrophobicContact CB-CD2 4.22Å |
| 153 | Q | 95.3 | Very high | 93.4 | Very high | 38 Ų | 38 | 53.1 Ų | 53.1 | 18% | 0.178 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 174.3 | -72 | 169.5 | -1.6 | 0 | 0 | 112.4 | I108 R149 L150 L151 R157 | I108-Q153 HydrophobicContact CG2-CG 3.83Å; R149-Q153 WeakPolarHBondContact O-CG 3.04Å; R149-Q153 PolarHBondContact O-N 3.45Å; R149-Q153 VanDerWaalsContact O-N 3.11Å; L150-Q153 PolarHBondContact O-N 3.28Å; L151-Q153 VanDerWaalsContact C-N 3.31Å; L151-Q153 PolarHBondContact O-N 2.93Å; Q153-R157 PolarHBondContact O-N 2.82Å; Q153-R157 VanDerWaalsContact O-N 3.1Å |
| 154 | T | 95.3 | Very high | 93.8 | Very high | 72 Ų | 72 | 50.2 Ų | 50.2 | 44% | 0.442 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -70.2 | -44.4 | -178.7 | -52.8 | 0 | 0 | 0 | 0 | 110.9 | L150 L151 A152 R157 N158 | L150-T154 PolarHBondContact O-N 2.94Å; L150-T154 VanDerWaalsContact O-N 3.11Å; L150-T154 PolarHBondContact O-OG1 3.46Å; L151-T154 PolarHBondContact O-N 2.97Å; A152-T154 VanDerWaalsContact C-N 3.34Å; A152-T154 PolarHBondContact O-N 2.96Å; T154-R157 PolarHBondContact O-N 2.87Å; T154-N158 PolarHBondContact O-N 3.42Å; T154-N158 PolarHBondContact O-ND2 3.33Å; T154-N158 PolarHBondContact O-OD1 3.27Å |
| 155 | T | 95.6 | Very high | 94 | Very high | 15 Ų | 15 | 50.4 Ų | 50.4 | 9% | 0.092 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 176.3 | -51.7 | 0 | 0 | 0 | 0 | 111.4 | L151 R157 N158 V159 M179 A182 L183 | L151-T155 PolarHBondContact O-N 2.81Å; L151-T155 PolarHBondContact O-OG1 3.08Å; L151-T155 VanDerWaalsContact O-OG1 3.04Å; T155-R157 VanDerWaalsContact C-N 3.31Å; T155-R157 PolarHBondContact O-N 3.41Å; T155-N158 PolarHBondContact O-N 2.93Å; T155-V159 HydrophobicContact CG2-CG2 4.08Å; T155-V159 WeakPolarHBondContact O-CG2 3.21Å; T155-V159 PolarHBondContact O-N 3.03Å; T155-M179 HydrophobicContact CG2-CG 4.18Å; T155-A182 HydrophobicContact CG2-CB 3.79Å; T155-L183 HydrophobicContact CG2-CD2 4.49Å; T155-L183 HydrophobicContact CG2-CG 4.21Å |
| 156 | L | 94.8 | Very high | 94 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -55.8 | -47.8 | 175.2 | -174.7 | 73.3 | 0 | 0 | 0 | 110.7 | I108 Q111 A152 N158 L160 M179 | I108-L156 HydrophobicContact CD1-CD2 4.47Å; I108-L156 HydrophobicContact CG2-CD2 3.91Å; Q111-L156 HydrophobicContact CG-CD2 4.38Å; A152-L156 WeakPolarHBondContact O-CB 3.21Å; A152-L156 PolarHBondContact O-N 3.04Å; L156-N158 PolarHBondContact O-N 3.15Å; L156-L160 HydrophobicContact CD1-CD1 3.6Å; L156-L160 HydrophobicContact CD1-CG 4.17Å; L156-L160 HydrophobicContact CD2-CD1 4.41Å; L156-L160 HydrophobicContact CG-CD1 3.64Å; L156-L160 HydrophobicContact CG-CG 4.4Å; L156-L160 VanDerWaalsContact O-CB 3.26Å; L156-L160 WeakPolarHBondContact O-CB 3.43Å; L156-L160 WeakPolarHBondContact O-CG 3.31Å; L156-L160 PolarHBondContact O-N 3.07Å; L156-M179 HydrophobicContact CB-CE 3.87Å; L156-M179 HydrophobicContact CB-SD 4.13Å; L156-M179 HydrophobicContact CD1-CE 4.02Å; L156-M179 HydrophobicContact CD1-SD 3.54Å; L156-M179 VanDerWaalsContact CD1-SD 3.54Å; L156-M179 HydrophobicContact CG-SD 4.47Å |
| 157 | R | 94.5 | Very high | 94 | Very high | 127 Ų | 127 | 49 Ų | 49 | 48% | 0.479 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 177.7 | -177 | 178.2 | -62.7 | 162.7 | 3.5 | 112.3 | I113 Q153 T154 T155 G161 | I113-R157 HydrophobicContact CG2-CB 4.27Å; I113-R157 HydrophobicContact CG2-CG 3.91Å; Q153-R157 PolarHBondContact O-N 2.82Å; Q153-R157 VanDerWaalsContact O-N 3.1Å; T154-R157 PolarHBondContact O-N 2.87Å; T155-R157 VanDerWaalsContact C-N 3.31Å; T155-R157 PolarHBondContact O-N 3.41Å; R157-G161 PolarHBondContact O-N 2.9Å |
| 158 | N | 94 | Very high | 94 | Very high | 102 Ų | 102 | 47.6 Ų | 47.6 | 55% | 0.545 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.5 | -48.2 | -177.7 | -69.1 | -13.7 | 0 | 0 | 0 | 111.8 | T154 T155 L156 G161 T162 | T154-N158 PolarHBondContact O-N 3.42Å; T154-N158 PolarHBondContact O-ND2 3.33Å; T154-N158 PolarHBondContact O-OD1 3.27Å; T155-N158 PolarHBondContact O-N 2.93Å; L156-N158 PolarHBondContact O-N 3.15Å; N158-G161 PolarHBondContact O-N 3.07Å; N158-T162 PolarHBondContact O-N 2.76Å |
| 159 | V | 93.9 | Very high | 93.8 | Very high | 17 Ų | 17 | 50.7 Ų | 50.7 | 10% | 0.103 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.4 | -50.4 | -179.2 | 174.8 | 0 | 0 | 0 | 0 | 110.1 | T155 G161 T162 K163 I175 | T155-V159 HydrophobicContact CG2-CG2 4.08Å; T155-V159 WeakPolarHBondContact O-CG2 3.21Å; T155-V159 PolarHBondContact O-N 3.03Å; V159-G161 VanDerWaalsContact C-N 3.28Å; V159-G161 PolarHBondContact O-N 3.23Å; V159-T162 PolarHBondContact O-N 2.88Å; V159-T162 VanDerWaalsContact O-N 3.08Å; V159-T162 PolarHBondContact O-OG1 3.37Å; V159-K163 WeakPolarHBondContact O-CG 3.35Å; V159-I175 HydrophobicContact CG1-CG2 3.92Å |
| 160 | L | 93.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.1 | -28.7 | -177.7 | -63.6 | 176.1 | 0 | 0 | 0 | 112.9 | I113 V123 L156 T162 K163 L168 I175 | I113-L160 HydrophobicContact CD1-CB 3.15Å; I113-L160 HydrophobicContact CD1-CD1 3.37Å; I113-L160 HydrophobicContact CD1-CG 3.88Å; V123-L160 HydrophobicContact CB-CD1 3.8Å; V123-L160 HydrophobicContact CG1-CD1 3.82Å; V123-L160 HydrophobicContact CG2-CD1 3.95Å; L156-L160 HydrophobicContact CD1-CD1 3.6Å; L156-L160 HydrophobicContact CD1-CG 4.17Å; L156-L160 HydrophobicContact CD2-CD1 4.41Å; L156-L160 HydrophobicContact CG-CD1 3.64Å; L156-L160 HydrophobicContact CG-CG 4.4Å; L156-L160 VanDerWaalsContact O-CB 3.26Å; L156-L160 WeakPolarHBondContact O-CB 3.43Å; L156-L160 WeakPolarHBondContact O-CG 3.31Å; L156-L160 PolarHBondContact O-N 3.07Å; L160-T162 PolarHBondContact O-N 3.07Å; L160-K163 PolarHBondContact O-N 2.94Å; L160-L168 HydrophobicContact CD2-CD1 4.3Å; L160-L168 HydrophobicContact CD2-CD2 3.29Å; L160-L168 HydrophobicContact CD2-CG 4.42Å; L160-I175 HydrophobicContact CD2-CG2 3.94Å |
| 161 | G | 93.6 | Very high | 93.5 | Very high | 32 Ų | 32 | 50.1 Ų | 50.1 | 33% | 0.33 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.3 | -23.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | R157 N158 V159 | R157-G161 PolarHBondContact O-N 2.9Å; N158-G161 PolarHBondContact O-N 3.07Å; V159-G161 VanDerWaalsContact C-N 3.28Å; V159-G161 PolarHBondContact O-N 3.23Å |
| 162 | T | 93.8 | Very high | 93.3 | Very high | 92 Ų | 92 | 53 Ų | 53 | 56% | 0.564 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -88.2 | -10.9 | 176.4 | 66.8 | 0 | 0 | 0 | 0 | 113.8 | K116 N158 V159 L160 | K116-T162 WeakPolarHBondContact CD-O 3.43Å; N158-T162 PolarHBondContact O-N 2.76Å; V159-T162 PolarHBondContact O-N 2.88Å; V159-T162 VanDerWaalsContact O-N 3.08Å; V159-T162 PolarHBondContact O-OG1 3.37Å; L160-T162 PolarHBondContact O-N 3.07Å |
| 163 | K | 94.4 | Very high | 93.1 | Very high | 55 Ų | 55 | 59.8 Ų | 59.8 | 24% | 0.239 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -101.5 | 151 | -173.5 | -64.4 | -70.7 | 178.2 | 174.8 | 0 | 112 | K116 V159 L160 E167 L168 I175 | K116-K163 WeakPolarHBondContact CB-O 3.31Å; K116-K163 PolarHBondContact N-O 3.18Å; K116-K163 VanDerWaalsContact N-O 3.11Å; V159-K163 WeakPolarHBondContact O-CG 3.35Å; L160-K163 PolarHBondContact O-N 2.94Å; K163-E167 WeakPolarHBondContact CD-OE2 3.13Å; K163-L168 HydrophobicContact CB-CD2 3.75Å; K163-I175 HydrophobicContact CD-CG1 4.47Å; K163-I175 HydrophobicContact CG-CG1 4.38Å |
| 164 | N | 95 | Very high | 93 | Very high | 43 Ų | 43 | 59.3 Ų | 59.3 | 23% | 0.23 | 33% | 0.328 | C | S | . | . | trans | -84.6 | 155.8 | 176.9 | -74.6 | 13.4 | 0 | 0 | 0 | 110.8 | K116 D117 A166 E167 L168 | K116-N164 WeakPolarHBondContact CB-OD1 3.34Å; K116-N164 VanDerWaalsContact CD-OD1 3.31Å; K116-N164 WeakPolarHBondContact CD-OD1 3.09Å; K116-N164 WeakPolarHBondContact CG-OD1 3.36Å; D117-N164 VanDerWaalsContact OD1-CG 3.31Å; D117-N164 PolarHBondContact OD1-ND2 3.49Å; D117-N164 PolarHBondContact OD1-OD1 3.41Å; D117-N164 WeakPolarHBondContact OD2-CA 3.42Å; D117-N164 WeakPolarHBondContact OD2-CB 3.38Å; N164-A166 VanDerWaalsContact C-N 3.28Å; N164-A166 PolarHBondContact O-N 3.43Å; N164-E167 HydrophobicContact CB-CG 4.22Å; N164-E167 WeakPolarHBondContact O-CB 3.48Å; N164-E167 PolarHBondContact O-N 2.95Å; N164-E167 VanDerWaalsContact O-N 3.14Å; N164-L168 WeakPolarHBondContact O-CG 3.38Å; N164-L168 PolarHBondContact O-N 2.91Å; N164-L168 VanDerWaalsContact O-N 3.07Å | ||
| 165 | L | 92.3 | Very high | 92.9 | Very high | 14 Ų | 14 | 56 Ų | 56 | 7% | 0.073 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60 | -40 | -179.7 | 173.7 | 63 | 0 | 0 | 0 | 112.1 | D117 V119 V121 E167 L168 L169 L204 L208 M212 | D117-L165 PolarHBondContact OD2-N 3.38Å; V119-L165 HydrophobicContact CB-CD2 4.5Å; V119-L165 HydrophobicContact CG1-CD2 4.18Å; V119-L165 HydrophobicContact CG2-CD2 4.29Å; V121-L165 HydrophobicContact CG1-CD1 3.92Å; L165-E167 VanDerWaalsContact C-N 3.29Å; L165-E167 PolarHBondContact O-N 3.39Å; L165-L168 PolarHBondContact O-N 2.89Å; L165-L169 HydrophobicContact CD1-CD1 4.23Å; L165-L169 HydrophobicContact CD1-CG 4.32Å; L165-L169 HydrophobicContact CG-CD1 4.3Å; L165-L169 WeakPolarHBondContact O-CG 3.41Å; L165-L169 PolarHBondContact O-N 2.88Å; L165-L204 HydrophobicContact CD1-CD2 3.76Å; L165-L204 HydrophobicContact CD2-CD2 3.96Å; L165-L208 HydrophobicContact CD2-CD2 4.49Å; L165-M212 HydrophobicContact CD2-CE 3.92Å; L165-M212 HydrophobicContact CD2-SD 3.9Å |
| 166 | A | 91.1 | Very high | 92.9 | Very high | 65 Ų | 65 | 55.7 Ų | 55.7 | 54% | 0.537 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.1 | -37 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | N164 L169 S170 | N164-A166 VanDerWaalsContact C-N 3.28Å; N164-A166 PolarHBondContact O-N 3.43Å; A166-L169 PolarHBondContact O-N 3.37Å; A166-S170 VanDerWaalsContact O-CB 3.32Å; A166-S170 WeakPolarHBondContact O-CB 3.46Å; A166-S170 PolarHBondContact O-N 3.3Å; A166-S170 PolarHBondContact O-OG 3.17Å |
| 167 | E | 92.2 | Very high | 92.9 | Very high | 79 Ų | 79 | 58.4 Ų | 58.4 | 37% | 0.369 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -68.1 | -41.9 | 175.7 | -65.3 | 177.5 | 179.1 | 0 | 0 | 110.8 | K163 N164 L165 L169 S170 D171 | K163-E167 WeakPolarHBondContact CD-OE2 3.13Å; N164-E167 HydrophobicContact CB-CG 4.22Å; N164-E167 WeakPolarHBondContact O-CB 3.48Å; N164-E167 PolarHBondContact O-N 2.95Å; N164-E167 VanDerWaalsContact O-N 3.14Å; L165-E167 VanDerWaalsContact C-N 3.29Å; L165-E167 PolarHBondContact O-N 3.39Å; E167-L169 PolarHBondContact O-N 3.09Å; E167-S170 PolarHBondContact O-N 3.09Å; E167-D171 CarbonylContact O-C 3.42Å; E167-D171 WeakPolarHBondContact O-CA 3.11Å; E167-D171 PolarHBondContact O-N 2.8Å |
| 168 | L | 91.8 | Very high | 92.9 | Very high | 4 Ų | 4 | 54.6 Ų | 54.6 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59 | -31.8 | 175.7 | -61 | -168.8 | 0 | 0 | 0 | 113.2 | T115 V121 L160 K163 N164 L165 R172 I175 | T115-L168 HydrophobicContact CG2-CD1 3.57Å; V121-L168 HydrophobicContact CG2-CD1 4.15Å; L160-L168 HydrophobicContact CD2-CD1 4.3Å; L160-L168 HydrophobicContact CD2-CD2 3.29Å; L160-L168 HydrophobicContact CD2-CG 4.42Å; K163-L168 HydrophobicContact CB-CD2 3.75Å; N164-L168 WeakPolarHBondContact O-CG 3.38Å; N164-L168 PolarHBondContact O-N 2.91Å; N164-L168 VanDerWaalsContact O-N 3.07Å; L165-L168 PolarHBondContact O-N 2.89Å; L168-R172 VanDerWaalsContact O-CG 3.27Å; L168-R172 WeakPolarHBondContact O-CG 3.38Å; L168-I175 HydrophobicContact CD2-CD1 3.41Å; L168-I175 VanDerWaalsContact CD2-CD1 3.41Å |
| 169 | L | 89.2 | Confident | 92.9 | Very high | 65 Ų | 65 | 49.9 Ų | 49.9 | 34% | 0.34 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -87.1 | -31.8 | -179.7 | -65.9 | 176.2 | 0 | 0 | 0 | 112.9 | L165 A166 E167 M212 | L165-L169 HydrophobicContact CD1-CD1 4.23Å; L165-L169 HydrophobicContact CD1-CG 4.32Å; L165-L169 HydrophobicContact CG-CD1 4.3Å; L165-L169 WeakPolarHBondContact O-CG 3.41Å; L165-L169 PolarHBondContact O-N 2.88Å; A166-L169 PolarHBondContact O-N 3.37Å; E167-L169 PolarHBondContact O-N 3.09Å; L169-M212 HydrophobicContact CD1-CE 4.49Å |
| 170 | S | 90.3 | Very high | 93 | Very high | 106 Ų | 106 | 51.8 Ų | 51.8 | 74% | 0.741 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -100.8 | -38.2 | -171.6 | -47.3 | 0 | 0 | 0 | 0 | 113.6 | A166 E167 | A166-S170 VanDerWaalsContact O-CB 3.32Å; A166-S170 WeakPolarHBondContact O-CB 3.46Å; A166-S170 PolarHBondContact O-N 3.3Å; A166-S170 PolarHBondContact O-OG 3.17Å; E167-S170 PolarHBondContact O-N 3.09Å |
| 171 | D | 92.5 | Very high | 93.1 | Very high | 79 Ų | 79 | 57.6 Ų | 57.6 | 42% | 0.422 | 33% | 0.326 | S | S | . | . | trans | -119.3 | 59.5 | -173 | -173.1 | 22.3 | 0 | 0 | 0 | 111.7 | E167 E173 G174 I175 | E167-D171 CarbonylContact O-C 3.42Å; E167-D171 WeakPolarHBondContact O-CA 3.11Å; E167-D171 PolarHBondContact O-N 2.8Å; D171-E173 VanDerWaalsContact C-N 3.27Å; D171-E173 PolarHBondContact O-N 2.96Å; D171-G174 PolarHBondContact OD1-N 3.31Å; D171-I175 WeakPolarHBondContact O-CD1 3.28Å; D171-I175 WeakPolarHBondContact O-CG1 3.17Å; D171-I175 PolarHBondContact O-N 3.18Å | ||
| 172 | R | 90.8 | Very high | 93.2 | Very high | 103 Ų | 103 | 58 Ų | 58 | 39% | 0.389 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.5 | -31.7 | 177.9 | -66.5 | -179.4 | -175.8 | 177.7 | 1.7 | 112.5 | L168 S176 | L168-R172 VanDerWaalsContact O-CG 3.27Å; L168-R172 WeakPolarHBondContact O-CG 3.38Å; R172-S176 WeakPolarHBondContact O-CB 3.43Å; R172-S176 PolarHBondContact O-N 3.34Å; R172-S176 PolarHBondContact O-OG 3.32Å |
| 173 | E | 91.5 | Very high | 93.3 | Very high | 143 Ų | 143 | 53.6 Ų | 53.6 | 67% | 0.668 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -67 | -48 | -180 | -165.1 | 68.9 | -163.9 | 0 | 0 | 110.6 | D171 I175 S176 V177 | D171-E173 VanDerWaalsContact C-N 3.27Å; D171-E173 PolarHBondContact O-N 2.96Å; E173-I175 VanDerWaalsContact C-N 3.28Å; E173-I175 PolarHBondContact O-N 3.48Å; E173-S176 WeakPolarHBondContact O-CB 3.16Å; E173-S176 PolarHBondContact O-N 3.39Å; E173-S176 VanDerWaalsContact O-N 3.09Å; E173-V177 WeakPolarHBondContact O-CG2 3.49Å; E173-V177 PolarHBondContact O-N 3.02Å |
| 174 | G | 93.1 | Very high | 93.3 | Very high | 28 Ų | 28 | 52.1 Ų | 52.1 | 29% | 0.289 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.3 | -37.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D171 S178 | D171-G174 PolarHBondContact OD1-N 3.31Å; G174-S178 WeakPolarHBondContact O-CB 3.38Å; G174-S178 PolarHBondContact O-N 2.89Å; G174-S178 VanDerWaalsContact O-N 3.09Å |
| 175 | I | 94 | Very high | 93.3 | Very high | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.3 | -40.9 | 175.7 | -59.3 | 160.9 | 0 | 0 | 0 | 110.9 | V159 L160 K163 L168 D171 E173 S178 M179 I199 | V159-I175 HydrophobicContact CG1-CG2 3.92Å; L160-I175 HydrophobicContact CD2-CG2 3.94Å; K163-I175 HydrophobicContact CD-CG1 4.47Å; K163-I175 HydrophobicContact CG-CG1 4.38Å; L168-I175 HydrophobicContact CD2-CD1 3.41Å; L168-I175 VanDerWaalsContact CD2-CD1 3.41Å; D171-I175 WeakPolarHBondContact O-CD1 3.28Å; D171-I175 WeakPolarHBondContact O-CG1 3.17Å; D171-I175 PolarHBondContact O-N 3.18Å; E173-I175 VanDerWaalsContact C-N 3.28Å; E173-I175 PolarHBondContact O-N 3.48Å; I175-S178 PolarHBondContact O-N 3.3Å; I175-M179 WeakPolarHBondContact O-CB 3.44Å; I175-M179 PolarHBondContact O-N 3.1Å; I175-I199 HydrophobicContact CB-CD1 3.89Å; I175-I199 HydrophobicContact CG2-CD1 3.69Å |
| 176 | S | 94.3 | Very high | 93.3 | Very high | 10 Ų | 10 | 58.5 Ų | 58.5 | 7% | 0.07 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 179.2 | -62.5 | 0 | 0 | 0 | 0 | 111.6 | R172 E173 M179 Q180 V197 | R172-S176 WeakPolarHBondContact O-CB 3.43Å; R172-S176 PolarHBondContact O-N 3.34Å; R172-S176 PolarHBondContact O-OG 3.32Å; E173-S176 WeakPolarHBondContact O-CB 3.16Å; E173-S176 PolarHBondContact O-N 3.39Å; E173-S176 VanDerWaalsContact O-N 3.09Å; S176-M179 PolarHBondContact O-N 3.48Å; S176-Q180 WeakPolarHBondContact O-CB 3.26Å; S176-Q180 PolarHBondContact O-N 3.03Å; S176-V197 VanDerWaalsContact CB-O 3.31Å; S176-V197 WeakPolarHBondContact CB-O 3.33Å |
| 177 | V | 94.9 | Very high | 93.4 | Very high | 59 Ų | 59 | 55.4 Ų | 55.4 | 36% | 0.358 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.1 | -48 | 175 | 175 | 0 | 0 | 0 | 0 | 111.2 | E173 M179 Q180 E181 | E173-V177 WeakPolarHBondContact O-CG2 3.49Å; E173-V177 PolarHBondContact O-N 3.02Å; V177-M179 VanDerWaalsContact C-N 3.28Å; V177-M179 PolarHBondContact O-N 3.32Å; V177-Q180 WeakPolarHBondContact O-CB 3.42Å; V177-Q180 PolarHBondContact O-N 3.36Å; V177-Q180 VanDerWaalsContact O-N 3.12Å; V177-E181 WeakPolarHBondContact O-CG 3.49Å; V177-E181 PolarHBondContact O-N 3.35Å |
| 178 | S | 94.4 | Very high | 93.4 | Very high | 47 Ų | 47 | 55.4 Ų | 55.4 | 33% | 0.329 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.8 | -37.8 | 178.6 | -179.7 | 0 | 0 | 0 | 0 | 112.4 | G174 I175 A182 | G174-S178 WeakPolarHBondContact O-CB 3.38Å; G174-S178 PolarHBondContact O-N 2.89Å; G174-S178 VanDerWaalsContact O-N 3.09Å; I175-S178 PolarHBondContact O-N 3.3Å; S178-A182 WeakPolarHBondContact O-CB 3.43Å; S178-A182 PolarHBondContact O-N 3.45Å |
| 179 | M | 95.3 | Very high | 93.3 | Very high | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -71.7 | -36.5 | 175.6 | -176.6 | 170.8 | 166.1 | 0 | 0 | 112.4 | I108 A152 T155 L156 I175 S176 V177 L183 V197 | I108-M179 HydrophobicContact CD1-CE 3.57Å; A152-M179 HydrophobicContact CB-CE 4.46Å; T155-M179 HydrophobicContact CG2-CG 4.18Å; L156-M179 HydrophobicContact CB-CE 3.87Å; L156-M179 HydrophobicContact CB-SD 4.13Å; L156-M179 HydrophobicContact CD1-CE 4.02Å; L156-M179 HydrophobicContact CD1-SD 3.54Å; L156-M179 VanDerWaalsContact CD1-SD 3.54Å; L156-M179 HydrophobicContact CG-SD 4.47Å; I175-M179 WeakPolarHBondContact O-CB 3.44Å; I175-M179 PolarHBondContact O-N 3.1Å; S176-M179 PolarHBondContact O-N 3.48Å; V177-M179 VanDerWaalsContact C-N 3.28Å; V177-M179 PolarHBondContact O-N 3.32Å; M179-L183 HydrophobicContact CE-CD1 3.65Å; M179-L183 HydrophobicContact CG-CD1 3.94Å; M179-L183 HydrophobicContact CG-CG 4.47Å; M179-L183 WeakPolarHBondContact O-CB 3.24Å; M179-L183 WeakPolarHBondContact O-CG 3.36Å; M179-L183 PolarHBondContact O-N 3.24Å; M179-V197 HydrophobicContact CB-CG1 4.47Å; M179-V197 HydrophobicContact CE-CG1 3.92Å; M179-V197 HydrophobicContact CG-CG1 4.07Å; M179-V197 HydrophobicContact CG-CG2 4.44Å; M179-V197 HydrophobicContact SD-CG1 3.74Å |
| 180 | Q | 96 | Very high | 93.4 | Very high | 58 Ų | 58 | 58.3 Ų | 58.3 | 27% | 0.271 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.9 | -51.1 | 173.7 | 177.4 | -172.2 | -29.1 | 0 | 0 | 110.6 | S176 V177 A182 L183 D184 V194 E195 V197 | S176-Q180 WeakPolarHBondContact O-CB 3.26Å; S176-Q180 PolarHBondContact O-N 3.03Å; V177-Q180 WeakPolarHBondContact O-CB 3.42Å; V177-Q180 PolarHBondContact O-N 3.36Å; V177-Q180 VanDerWaalsContact O-N 3.12Å; Q180-A182 PolarHBondContact O-N 3.11Å; Q180-L183 PolarHBondContact O-N 3.18Å; Q180-D184 VanDerWaalsContact O-CB 3.23Å; Q180-D184 WeakPolarHBondContact O-CB 3.35Å; Q180-D184 PolarHBondContact O-N 3.31Å; Q180-V194 HydrophobicContact CG-CG1 4.24Å; Q180-E195 PolarHBondContact NE2-O 3.33Å; Q180-V197 HydrophobicContact CB-CG2 4.09Å |
| 181 | E | 95.4 | Very high | 93.3 | Very high | 124 Ų | 124 | 53.5 Ų | 53.5 | 58% | 0.579 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -58.1 | -48.1 | 179.8 | -70.6 | 175 | 172.7 | 0 | 0 | 111.6 | V177 L183 D184 E185 | V177-E181 WeakPolarHBondContact O-CG 3.49Å; V177-E181 PolarHBondContact O-N 3.35Å; E181-L183 VanDerWaalsContact C-N 3.32Å; E181-L183 PolarHBondContact O-N 2.76Å; E181-D184 PolarHBondContact O-N 3.47Å; E181-E185 PolarHBondContact O-N 3.42Å |
| 182 | A | 95.1 | Very high | 93.4 | Very high | 39 Ų | 39 | 49.8 Ų | 49.8 | 32% | 0.322 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.5 | -34.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | T155 S178 Q180 A186 | T155-A182 HydrophobicContact CG2-CB 3.79Å; S178-A182 WeakPolarHBondContact O-CB 3.43Å; S178-A182 PolarHBondContact O-N 3.45Å; Q180-A182 PolarHBondContact O-N 3.11Å; A182-A186 WeakPolarHBondContact O-CB 3.47Å; A182-A186 PolarHBondContact O-N 2.88Å |
| 183 | L | 95.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -77.2 | -39.4 | 176.5 | -78.4 | 171.7 | 0 | 0 | 0 | 112.5 | V127 L151 A152 T155 M179 Q180 E181 A186 T187 V194 V197 | V127-L183 HydrophobicContact CG2-CD1 4.31Å; L151-L183 HydrophobicContact CB-CD2 4.48Å; L151-L183 HydrophobicContact CD2-CD2 4.11Å; L151-L183 HydrophobicContact CG-CD2 3.83Å; A152-L183 HydrophobicContact CB-CD1 4.18Å; A152-L183 HydrophobicContact CB-CD2 4.22Å; T155-L183 HydrophobicContact CG2-CD2 4.49Å; T155-L183 HydrophobicContact CG2-CG 4.21Å; M179-L183 HydrophobicContact CE-CD1 3.65Å; M179-L183 HydrophobicContact CG-CD1 3.94Å; M179-L183 HydrophobicContact CG-CG 4.47Å; M179-L183 WeakPolarHBondContact O-CB 3.24Å; M179-L183 WeakPolarHBondContact O-CG 3.36Å; M179-L183 PolarHBondContact O-N 3.24Å; Q180-L183 PolarHBondContact O-N 3.18Å; E181-L183 VanDerWaalsContact C-N 3.32Å; E181-L183 PolarHBondContact O-N 2.76Å; L183-A186 PolarHBondContact O-N 3.08Å; L183-T187 VanDerWaalsContact O-CB 3.31Å; L183-T187 WeakPolarHBondContact O-CB 3.31Å; L183-T187 WeakPolarHBondContact O-CG2 3.5Å; L183-T187 PolarHBondContact O-N 3.47Å; L183-T187 PolarHBondContact O-OG1 3.16Å; L183-V194 HydrophobicContact CB-CG2 4.1Å; L183-V197 HydrophobicContact CD1-CG2 4.04Å |
| 184 | D | 95.1 | Very high | 93.7 | Very high | 24 Ų | 24 | 41.7 Ų | 41.7 | 13% | 0.128 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.7 | -50 | 179.3 | -166.2 | 50.6 | 0 | 0 | 0 | 110.3 | Q180 E181 A186 T187 D188 K193 V194 | Q180-D184 VanDerWaalsContact O-CB 3.23Å; Q180-D184 WeakPolarHBondContact O-CB 3.35Å; Q180-D184 PolarHBondContact O-N 3.31Å; E181-D184 PolarHBondContact O-N 3.47Å; D184-A186 VanDerWaalsContact C-N 3.31Å; D184-A186 PolarHBondContact O-N 3.07Å; D184-T187 PolarHBondContact O-N 3.15Å; D184-T187 VanDerWaalsContact O-N 3.11Å; D184-T187 PolarHBondContact O-OG1 2.96Å; D184-D188 VanDerWaalsContact O-CG 3.31Å; D184-D188 PolarHBondContact O-N 2.92Å; D184-K193 VanDerWaalsContact OD1-CD 3.31Å; D184-K193 WeakPolarHBondContact OD1-CD 3.36Å; D184-K193 WeakPolarHBondContact OD1-CE 3.44Å; D184-K193 IonicContact OD1-NZ 3.66Å; D184-K193 PolarHBondContact OD1-NZ 2.86Å; D184-K193 VanDerWaalsContact OD1-NZ 3.14Å; D184-K193 WeakPolarHBondContact OD2-CE 3.4Å; D184-K193 IonicContact OD2-NZ 3.42Å; D184-K193 PolarHBondContact OD2-NZ 3.29Å; D184-V194 HydrophobicContact CB-CB 4.28Å; D184-V194 PolarHBondContact OD1-N 3.35Å; D184-V194 VanDerWaalsContact OD1-N 3.16Å |
| 185 | E | 94.2 | Very high | 93.7 | Very high | 151 Ų | 151 | 43.1 Ų | 43.1 | 71% | 0.706 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -57.4 | -42.4 | 177.4 | -176.3 | 179.6 | -176.5 | 0 | 0 | 112.5 | E181 | E181-E185 PolarHBondContact O-N 3.42Å |
| 186 | A | 92.8 | Very high | 93.7 | Very high | 41 Ų | 41 | 48.2 Ų | 48.2 | 34% | 0.339 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -76.6 | -23 | -179 | 0 | 0 | 0 | 0 | 0 | 113.6 | L151 A182 L183 D184 | L151-A186 HydrophobicContact CD1-CB 4.46Å; L151-A186 HydrophobicContact CD2-CB 3.7Å; A182-A186 WeakPolarHBondContact O-CB 3.47Å; A182-A186 PolarHBondContact O-N 2.88Å; L183-A186 PolarHBondContact O-N 3.08Å; D184-A186 VanDerWaalsContact C-N 3.31Å; D184-A186 PolarHBondContact O-N 3.07Å |
| 187 | T | 93.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -99.1 | -12.7 | -177.8 | 59.7 | 0 | 0 | 0 | 0 | 114 | T148 L151 L183 D184 P189 W190 G191 I192 | T148-T187 HydrophobicContact CG2-CG2 4.04Å; L151-T187 HydrophobicContact CD2-CG2 3.73Å; L183-T187 VanDerWaalsContact O-CB 3.31Å; L183-T187 WeakPolarHBondContact O-CB 3.31Å; L183-T187 WeakPolarHBondContact O-CG2 3.5Å; L183-T187 PolarHBondContact O-N 3.47Å; L183-T187 PolarHBondContact O-OG1 3.16Å; D184-T187 PolarHBondContact O-N 3.15Å; D184-T187 VanDerWaalsContact O-N 3.11Å; D184-T187 PolarHBondContact O-OG1 2.96Å; T187-P189 VanDerWaalsContact C-CD 3.47Å; T187-W190 HydrophobicContact CG2-CE3 3.93Å; T187-W190 HydrophobicContact CG2-CZ3 3.96Å; T187-W190 WeakPolarHBondContact O-CA 3.26Å; T187-W190 WeakPolarHBondContact O-CB 3.22Å; T187-W190 PolarHBondContact O-N 3.45Å; T187-G191 PolarHBondContact O-N 3Å; T187-I192 PolarHBondContact O-N 2.94Å |
| 188 | D | 91.5 | Very high | 93.8 | Very high | 78 Ų | 78 | 49 Ų | 49 | 42% | 0.417 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -51.4 | -44.2 | 174.2 | -87.7 | -22.9 | 0 | 0 | 0 | 113.8 | D184 W190 G191 | D184-D188 VanDerWaalsContact O-CG 3.31Å; D184-D188 PolarHBondContact O-N 2.92Å; D188-W190 PolarHBondContact O-N 2.83Å; D188-G191 PolarHBondContact O-N 3.31Å |
| 189 | P | 89.8 | Confident | 93.7 | Very high | 76 Ų | 76 | 47.9 Ų | 47.9 | 49% | 0.494 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -62.3 | -24.2 | 176.7 | -23.2 | 34.5 | 0 | 0 | 0 | 113.5 | N140 T187 G191 | N140-P189 PolarHBondContact ND2-O 3.24Å; T187-P189 VanDerWaalsContact C-CD 3.47Å; P189-G191 VanDerWaalsContact C-N 3.29Å |
| 190 | W | 91.5 | Very high | 93.6 | Very high | 54 Ų | 54 | 53 Ų | 53 | 21% | 0.205 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -86.3 | -2.5 | 176.6 | -52.5 | -21.1 | 0 | 0 | 0 | 112.1 | S136 A137 V141 L151 T187 D188 I192 | S136-W190 CarbonylContact C-O 3.48Å; A137-W190 WeakPolarHBondContact CA-O 3.35Å; A137-W190 WeakPolarHBondContact CB-O 3.27Å; A137-W190 PolarHBondContact N-O 3.12Å; A137-W190 VanDerWaalsContact N-O 3.08Å; V141-W190 HydrophobicContact CG2-CB 4.41Å; V141-W190 HydrophobicContact CG2-CD2 3.73Å; V141-W190 HydrophobicContact CG2-CG 3.58Å; V141-W190 HydrophobicContact CG2-CZ2 4.32Å; V141-W190 VanDerWaalsContact CG2-NE1 3.29Å; L151-W190 HydrophobicContact CB-CH2 4.43Å; L151-W190 HydrophobicContact CD2-CH2 3.85Å; L151-W190 HydrophobicContact CD2-CZ3 3.86Å; T187-W190 HydrophobicContact CG2-CE3 3.93Å; T187-W190 HydrophobicContact CG2-CZ3 3.96Å; T187-W190 WeakPolarHBondContact O-CA 3.26Å; T187-W190 WeakPolarHBondContact O-CB 3.22Å; T187-W190 PolarHBondContact O-N 3.45Å; D188-W190 PolarHBondContact O-N 2.83Å; W190-I192 VanDerWaalsContact C-N 3.26Å; W190-I192 HydrophobicContact CB-CD1 4.49Å; W190-I192 PolarHBondContact O-N 3.01Å |
| 191 | G | 89.3 | Confident | 93.3 | Very high | 6 Ų | 6 | 53.9 Ų | 53.9 | 6% | 0.062 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 21.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | H132 C133 T187 D188 P189 | H132-G191 PolarHBondContact N-O 3.2Å; C133-G191 PolarHBondContact N-O 3.37Å; T187-G191 PolarHBondContact O-N 3Å; D188-G191 PolarHBondContact O-N 3.31Å; P189-G191 VanDerWaalsContact C-N 3.29Å |
| 192 | I | 93.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 136.5 | 173.5 | -70.3 | 170.2 | 0 | 0 | 0 | 108.2 | F129 I131 A144 T148 T187 W190 | F129-I192 HydrophobicContact CB-CG2 3.83Å; F129-I192 HydrophobicContact CD2-CD1 4.47Å; F129-I192 HydrophobicContact CD2-CG1 4.49Å; F129-I192 HydrophobicContact CD2-CG2 3.58Å; F129-I192 HydrophobicContact CG-CG2 4.04Å; I131-I192 HydrophobicContact CG1-CG1 4.31Å; A144-I192 HydrophobicContact CB-CD1 3.81Å; T148-I192 VanDerWaalsContact OG1-CD1 3.32Å; T148-I192 WeakPolarHBondContact OG1-CD1 3.23Å; T187-I192 PolarHBondContact O-N 2.94Å; W190-I192 VanDerWaalsContact C-N 3.26Å; W190-I192 HydrophobicContact CB-CD1 4.49Å; W190-I192 PolarHBondContact O-N 3.01Å |
| 193 | K | 93.7 | Very high | 92.9 | Very high | 74 Ų | 74 | 53 Ų | 53 | 32% | 0.322 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 125.3 | 170.8 | -171.7 | 76.3 | -162.3 | 167.8 | 0 | 109.1 | F129 R130 H132 D184 | F129-K193 CarbonylContact C-O 3.46Å; F129-K193 VanDerWaalsContact CA-O 3.24Å; F129-K193 WeakPolarHBondContact CA-O 3.3Å; F129-K193 WeakPolarHBondContact CB-O 3.34Å; R130-K193 HydrophobicContact CG-CB 4.29Å; R130-K193 PolarHBondContact N-O 3.11Å; R130-K193 PolarHBondContact O-N 3.02Å; H132-K193 HydrophobicContact CB-CB 4.29Å; D184-K193 VanDerWaalsContact OD1-CD 3.31Å; D184-K193 WeakPolarHBondContact OD1-CD 3.36Å; D184-K193 WeakPolarHBondContact OD1-CE 3.44Å; D184-K193 IonicContact OD1-NZ 3.66Å; D184-K193 PolarHBondContact OD1-NZ 2.86Å; D184-K193 VanDerWaalsContact OD1-NZ 3.14Å; D184-K193 WeakPolarHBondContact OD2-CE 3.4Å; D184-K193 IonicContact OD2-NZ 3.42Å; D184-K193 PolarHBondContact OD2-NZ 3.29Å |
| 194 | V | 95.9 | Very high | 92.7 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 120.2 | 175 | -176.5 | 0 | 0 | 0 | 0 | 108.4 | V127 F129 Q180 L183 D184 V197 | V127-V194 HydrophobicContact CG1-CG1 3.93Å; F129-V194 HydrophobicContact CB-CG2 4.38Å; Q180-V194 HydrophobicContact CG-CG1 4.24Å; L183-V194 HydrophobicContact CB-CG2 4.1Å; D184-V194 HydrophobicContact CB-CB 4.28Å; D184-V194 PolarHBondContact OD1-N 3.35Å; D184-V194 VanDerWaalsContact OD1-N 3.16Å; V194-V197 HydrophobicContact CG1-CG2 3.96Å |
| 195 | E | 92.8 | Very high | 92.5 | Very high | 58 Ų | 58 | 56 Ų | 56 | 27% | 0.271 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | -42.8 | -176.8 | -63.4 | -167.4 | 148.3 | 0 | 0 | 111.9 | T103 Y128 R130 Q180 | T103-E195 WeakPolarHBondContact CG2-OE2 3.49Å; T103-E195 VanDerWaalsContact OG1-CD 3.29Å; T103-E195 PolarHBondContact OG1-OE1 3.45Å; T103-E195 PolarHBondContact OG1-OE2 2.89Å; Y128-E195 PolarHBondContact O-N 3.11Å; R130-E195 WeakPolarHBondContact CD-OE1 3.48Å; R130-E195 HydrophobicContact CG-CG 4.26Å; R130-E195 IonicContact NE-OE1 2.56Å; R130-E195 PolarHBondContact NE-OE1 3.46Å; Q180-E195 PolarHBondContact NE2-O 3.33Å |
| 196 | R | 93.8 | Very high | 92.4 | Very high | 108 Ų | 108 | 54.7 Ų | 54.7 | 41% | 0.408 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 154 | 176.7 | 78.8 | -168.5 | 78.4 | -157.9 | 0.1 | 110.6 | Y128 E198 | Y128-R196 HydrophobicContact CD2-CG 3.23Å; Y128-R196 HydrophobicContact CE2-CG 3.91Å; Y128-R196 HydrophobicContact CG-CG 3.78Å; Y128-R196 PolarHBondContact N-O 3.4Å; Y128-R196 PolarHBondContact O-N 3.04Å; R196-E198 VanDerWaalsContact CD-OE1 3.27Å; R196-E198 WeakPolarHBondContact CD-OE1 3.49Å; R196-E198 HydrophobicContact CG-CG 4.46Å |
| 197 | V | 96.5 | Very high | 92.3 | Very high | 7 Ų | 7 | 61.2 Ų | 61.2 | 4% | 0.042 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 136.4 | 168.3 | -178.9 | 0 | 0 | 0 | 0 | 107.2 | V127 S176 M179 Q180 L183 V194 | V127-V197 HydrophobicContact CG1-CG2 4.34Å; V127-V197 HydrophobicContact CG2-CG1 4.36Å; V127-V197 HydrophobicContact CG2-CG2 4.36Å; S176-V197 VanDerWaalsContact CB-O 3.31Å; S176-V197 WeakPolarHBondContact CB-O 3.33Å; M179-V197 HydrophobicContact CB-CG1 4.47Å; M179-V197 HydrophobicContact CE-CG1 3.92Å; M179-V197 HydrophobicContact CG-CG1 4.07Å; M179-V197 HydrophobicContact CG-CG2 4.44Å; M179-V197 HydrophobicContact SD-CG1 3.74Å; Q180-V197 HydrophobicContact CB-CG2 4.09Å; L183-V197 HydrophobicContact CD1-CG2 4.04Å; V194-V197 HydrophobicContact CG1-CG2 3.96Å |
| 198 | E | 94.4 | Very high | 92.2 | Very high | 78 Ų | 78 | 64.1 Ų | 64.1 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 125.2 | 178.6 | -70.9 | 174.2 | -177.1 | 0 | 0 | 109.2 | G125 V126 Y128 R196 | G125-E198 CarbonylContact C-O 3.56Å; G125-E198 WeakPolarHBondContact CA-O 3.31Å; V126-E198 PolarHBondContact N-O 3.43Å; V126-E198 PolarHBondContact O-N 3.47Å; Y128-E198 HydrophobicContact CE2-CB 4.45Å; Y128-E198 HydrophobicContact CE2-CG 4.13Å; Y128-E198 WeakPolarHBondContact CE2-OE2 3.47Å; Y128-E198 PolarHBondContact OH-OE2 3.07Å; Y128-E198 VanDerWaalsContact OH-OE2 3.09Å; R196-E198 VanDerWaalsContact CD-OE1 3.27Å; R196-E198 WeakPolarHBondContact CD-OE1 3.49Å; R196-E198 HydrophobicContact CG-CG 4.46Å |
| 199 | I | 93.5 | Very high | 92.1 | Very high | 24 Ų | 24 | 65.6 Ų | 65.6 | 12% | 0.123 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 126.4 | 170.6 | -57.1 | 170.8 | 0 | 0 | 0 | 107.6 | V123 I175 V202 | V123-I199 HydrophobicContact CG1-CG2 3.8Å; I175-I199 HydrophobicContact CB-CD1 3.89Å; I175-I199 HydrophobicContact CG2-CD1 3.69Å; I199-V202 HydrophobicContact CG2-CG2 4.17Å |
| 200 | K | 91.6 | Very high | 92.3 | Very high | 109 Ų | 109 | 69.9 Ų | 69.9 | 47% | 0.474 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | -76.5 | -174.3 | -179.1 | -178.2 | -177.5 | 179.5 | 0 | 110.6 | D124 | D124-K200 PolarHBondContact O-N 3.41Å; D124-K200 WeakPolarHBondContact OD1-CB 3.49Å |
| 201 | D | 89.6 | Confident | 92.4 | Very high | 78 Ų | 78 | 70.1 Ų | 70.1 | 42% | 0.417 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 142.2 | -179.2 | -66.9 | -44.2 | 0 | 0 | 0 | 111.7 | V123 D124 | V123-D201 WeakPolarHBondContact CA-O 3.41Å; D124-D201 PolarHBondContact N-O 3.23Å; D124-D201 WeakPolarHBondContact OD1-CA 3.19Å; D124-D201 WeakPolarHBondContact OD1-CB 3.14Å; D124-D201 PolarHBondContact OD1-N 2.95Å |
| 202 | V | 91.8 | Very high | 92.4 | Very high | 23 Ų | 23 | 73 Ų | 73 | 14% | 0.139 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 108 | 169.5 | -179.1 | 0 | 0 | 0 | 0 | 107.8 | V121 V123 I199 | V121-V202 HydrophobicContact CB-CG1 4.3Å; V121-V202 HydrophobicContact CG1-CG1 4.47Å; V123-V202 HydrophobicContact CG1-CG2 4.25Å; V123-V202 HydrophobicContact CG2-CB 4.37Å; V123-V202 HydrophobicContact CG2-CG1 4.01Å; V123-V202 HydrophobicContact CG2-CG2 4.02Å; I199-V202 HydrophobicContact CG2-CG2 4.17Å |
| 203 | K | 91.6 | Very high | 92.4 | Very high | 122 Ų | 122 | 75.7 Ų | 75.7 | 53% | 0.53 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 127 | -179.6 | -67 | 175.6 | -175.9 | 168.1 | 0 | 110 | S122 | S122-K203 PolarHBondContact N-O 3.32Å; S122-K203 PolarHBondContact O-N 3.06Å |
| 204 | L | 91.6 | Very high | 92.4 | Very high | 33 Ų | 33 | 75 Ų | 75 | 17% | 0.173 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -101.1 | 150.6 | 176.4 | -66.8 | 137.8 | 0 | 0 | 0 | 109.5 | V119 V121 L165 Q206 L208 Q209 | V119-L204 HydrophobicContact CG1-CD2 4.43Å; V121-L204 HydrophobicContact CG1-CD2 3.91Å; L165-L204 HydrophobicContact CD1-CD2 3.76Å; L165-L204 HydrophobicContact CD2-CD2 3.96Å; L204-Q206 PolarHBondContact O-N 2.94Å; L204-L208 HydrophobicContact CD2-CD2 3.78Å; L204-Q209 HydrophobicContact CB-CB 4.33Å |
| 205 | P | 91.1 | Very high | 92.3 | Very high | 52 Ų | 52 | 81.6 Ų | 81.6 | 34% | 0.338 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 135.3 | 168.7 | -22.7 | 31.7 | 0 | 0 | 0 | 110.5 | T120 Q207 L208 Q209 | T120-P205 WeakPolarHBondContact O-CD 3.39Å; P205-Q207 PolarHBondContact O-N 2.94Å; P205-Q207 VanDerWaalsContact O-N 3.1Å; P205-L208 PolarHBondContact O-N 2.94Å; P205-Q209 PolarHBondContact O-N 3.11Å |
| 206 | Q | 91.1 | Very high | 92.4 | Very high | 125 Ų | 125 | 80.6 Ų | 80.6 | 58% | 0.584 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -57.6 | -32.9 | -173 | -169.7 | 176.7 | 27.3 | 0 | 0 | 113.1 | L204 R210 | L204-Q206 PolarHBondContact O-N 2.94Å; Q206-R210 WeakPolarHBondContact O-CG 3.48Å; Q206-R210 PolarHBondContact O-N 3.43Å |
| 207 | Q | 91.3 | Very high | 92.4 | Very high | 178 Ų | 178 | 82 Ų | 82 | 83% | 0.832 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -63.7 | -47.3 | 176.9 | -67.9 | -180 | -14.5 | 0 | 0 | 111.9 | P205 A211 | P205-Q207 PolarHBondContact O-N 2.94Å; P205-Q207 VanDerWaalsContact O-N 3.1Å; Q207-A211 PolarHBondContact O-N 3.11Å |
| 208 | L | 89.8 | Confident | 92.4 | Very high | 60 Ų | 60 | 84.5 Ų | 84.5 | 31% | 0.314 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67.8 | -42.9 | 179 | -172.1 | 81.4 | 0 | 0 | 0 | 111.2 | V119 L165 L204 P205 R210 A211 M212 | V119-L208 HydrophobicContact CG1-CD2 3.42Å; V119-L208 VanDerWaalsContact CG1-CD2 3.42Å; L165-L208 HydrophobicContact CD2-CD2 4.49Å; L204-L208 HydrophobicContact CD2-CD2 3.78Å; P205-L208 PolarHBondContact O-N 2.94Å; L208-R210 VanDerWaalsContact C-N 3.28Å; L208-R210 PolarHBondContact O-N 3.39Å; L208-A211 PolarHBondContact O-N 3.32Å; L208-A211 VanDerWaalsContact O-N 3.17Å; L208-M212 HydrophobicContact CD2-SD 4.03Å; L208-M212 HydrophobicContact CG-CG 4.26Å; L208-M212 HydrophobicContact CG-SD 3.98Å; L208-M212 WeakPolarHBondContact O-CB 3.47Å; L208-M212 WeakPolarHBondContact O-CG 3.46Å; L208-M212 PolarHBondContact O-N 3.28Å |
| 209 | Q | 91.3 | Very high | 92.5 | Very high | 110 Ų | 110 | 83.2 Ų | 83.2 | 51% | 0.514 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -58.1 | -41.1 | 179.7 | -170.5 | -177.9 | 23.2 | 0 | 0 | 111.9 | L204 P205 A213 | L204-Q209 HydrophobicContact CB-CB 4.33Å; P205-Q209 PolarHBondContact O-N 3.11Å; Q209-A213 VanDerWaalsContact O-CB 3.28Å; Q209-A213 WeakPolarHBondContact O-CB 3.36Å; Q209-A213 PolarHBondContact O-N 3.47Å |
| 210 | R | 93.6 | Very high | 92.6 | Very high | 165 Ų | 165 | 91.1 Ų | 91.1 | 62% | 0.623 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -66.8 | -43.7 | 176.3 | -71.9 | 177.2 | -175 | -175.9 | 4.8 | 112.2 | Q206 L208 A213 A214 | Q206-R210 WeakPolarHBondContact O-CG 3.48Å; Q206-R210 PolarHBondContact O-N 3.43Å; L208-R210 VanDerWaalsContact C-N 3.28Å; L208-R210 PolarHBondContact O-N 3.39Å; R210-A213 PolarHBondContact O-N 2.85Å; R210-A214 PolarHBondContact O-N 3.04Å |
| 211 | A | 92.6 | Very high | 92.9 | Very high | 60 Ų | 60 | 91 Ų | 91 | 50% | 0.496 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63 | -46.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q207 L208 A213 A214 E215 | Q207-A211 PolarHBondContact O-N 3.11Å; L208-A211 PolarHBondContact O-N 3.32Å; L208-A211 VanDerWaalsContact O-N 3.17Å; A211-A213 PolarHBondContact O-N 3.38Å; A211-A214 PolarHBondContact O-N 2.97Å; A211-E215 PolarHBondContact O-N 3.5Å |
| 212 | M | 90.5 | Very high | 93.2 | Very high | 67 Ų | 67 | 89.6 Ų | 89.6 | 33% | 0.33 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.8 | -38.7 | 176 | -71.2 | -179.4 | 70.8 | 0 | 0 | 112.4 | L165 L169 L208 E215 A216 | L165-M212 HydrophobicContact CD2-CE 3.92Å; L165-M212 HydrophobicContact CD2-SD 3.9Å; L169-M212 HydrophobicContact CD1-CE 4.49Å; L208-M212 HydrophobicContact CD2-SD 4.03Å; L208-M212 HydrophobicContact CG-CG 4.26Å; L208-M212 HydrophobicContact CG-SD 3.98Å; L208-M212 WeakPolarHBondContact O-CB 3.47Å; L208-M212 WeakPolarHBondContact O-CG 3.46Å; L208-M212 PolarHBondContact O-N 3.28Å; M212-E215 PolarHBondContact O-N 2.97Å; M212-A216 WeakPolarHBondContact O-CB 3.42Å; M212-A216 PolarHBondContact O-N 3.2Å |
| 213 | A | 92.1 | Very high | 93.5 | Very high | 57 Ų | 57 | 96.9 Ų | 96.9 | 47% | 0.471 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q209 R210 A211 A216 E217 | Q209-A213 VanDerWaalsContact O-CB 3.28Å; Q209-A213 WeakPolarHBondContact O-CB 3.36Å; Q209-A213 PolarHBondContact O-N 3.47Å; R210-A213 PolarHBondContact O-N 2.85Å; A211-A213 PolarHBondContact O-N 3.38Å; A213-A216 PolarHBondContact O-N 3.04Å; A213-E217 WeakPolarHBondContact O-CB 3.32Å; A213-E217 PolarHBondContact O-N 2.83Å |
| 214 | A | 95.1 | Very high | 93.8 | Very high | 58 Ų | 58 | 93.8 Ų | 93.8 | 48% | 0.479 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R210 A211 E217 A218 | R210-A214 PolarHBondContact O-N 3.04Å; A211-A214 PolarHBondContact O-N 2.97Å; A214-E217 PolarHBondContact O-N 3.45Å; A214-A218 WeakPolarHBondContact O-CB 3.19Å; A214-A218 PolarHBondContact O-N 3.29Å |
| 215 | E | 93.9 | Very high | 94 | Very high | 141 Ų | 141 | 98.3 Ų | 98.3 | 66% | 0.659 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.5 | -43.5 | 175.3 | -175.3 | -175.4 | -178.7 | 0 | 0 | 112 | A211 M212 E217 A218 S219 | A211-E215 PolarHBondContact O-N 3.5Å; M212-E215 PolarHBondContact O-N 2.97Å; E215-E217 VanDerWaalsContact C-N 3.34Å; E215-E217 PolarHBondContact O-N 3.21Å; E215-A218 PolarHBondContact O-N 3.36Å; E215-S219 WeakPolarHBondContact O-CB 3.31Å; E215-S219 PolarHBondContact O-N 2.86Å; E215-S219 PolarHBondContact O-OG 2.88Å; E215-S219 VanDerWaalsContact O-OG 3.11Å |
| 216 | A | 92.9 | Very high | 94.4 | Very high | 38 Ų | 38 | 101 Ų | 101 | 31% | 0.314 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.1 | -39 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | M212 A213 S219 R220 | M212-A216 WeakPolarHBondContact O-CB 3.42Å; M212-A216 PolarHBondContact O-N 3.2Å; A213-A216 PolarHBondContact O-N 3.04Å; A216-S219 PolarHBondContact O-OG 3.02Å; A216-R220 VanDerWaalsContact O-CB 3.28Å; A216-R220 WeakPolarHBondContact O-CB 3.36Å; A216-R220 WeakPolarHBondContact O-CD 3.18Å; A216-R220 WeakPolarHBondContact O-CG 3.43Å; A216-R220 PolarHBondContact O-N 2.91Å |
| 217 | E | 94.7 | Very high | 94.7 | Very high | 137 Ų | 137 | 100.6 Ų | 100.6 | 64% | 0.64 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.4 | -49.7 | 175.5 | -174.5 | 169 | -162.2 | 0 | 0 | 111.4 | A213 A214 E215 S219 R220 E221 | A213-E217 WeakPolarHBondContact O-CB 3.32Å; A213-E217 PolarHBondContact O-N 2.83Å; A214-E217 PolarHBondContact O-N 3.45Å; E215-E217 VanDerWaalsContact C-N 3.34Å; E215-E217 PolarHBondContact O-N 3.21Å; E217-S219 VanDerWaalsContact C-N 3.35Å; E217-S219 PolarHBondContact O-N 3.35Å; E217-R220 PolarHBondContact O-N 3.42Å; E217-E221 PolarHBondContact O-N 3.34Å |
| 218 | A | 96.8 | Very high | 95 | Very high | 60 Ų | 60 | 94.8 Ų | 94.8 | 50% | 0.496 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.2 | -42.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | A214 E215 E221 A222 | A214-A218 WeakPolarHBondContact O-CB 3.19Å; A214-A218 PolarHBondContact O-N 3.29Å; E215-A218 PolarHBondContact O-N 3.36Å; A218-E221 PolarHBondContact O-N 2.74Å; A218-A222 WeakPolarHBondContact O-CB 3.13Å; A218-A222 PolarHBondContact O-N 3.37Å |
| 219 | S | 95.7 | Very high | 95.4 | Very high | 51 Ų | 51 | 94.7 Ų | 94.7 | 36% | 0.357 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.6 | -36.7 | 177.6 | 67.1 | 0 | 0 | 0 | 0 | 112.8 | E215 A216 E217 R223 | E215-S219 WeakPolarHBondContact O-CB 3.31Å; E215-S219 PolarHBondContact O-N 2.86Å; E215-S219 PolarHBondContact O-OG 2.88Å; E215-S219 VanDerWaalsContact O-OG 3.11Å; A216-S219 PolarHBondContact O-OG 3.02Å; E217-S219 VanDerWaalsContact C-N 3.35Å; E217-S219 PolarHBondContact O-N 3.35Å; S219-R223 WeakPolarHBondContact O-CB 2.89Å; S219-R223 VanDerWaalsContact O-CG 3.27Å; S219-R223 WeakPolarHBondContact O-CG 3.39Å; S219-R223 PolarHBondContact O-N 2.9Å |
| 220 | R | 96.3 | Very high | 95.7 | Very high | 189 Ų | 189 | 94.8 Ų | 94.8 | 71% | 0.713 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.8 | -43.3 | 173.9 | -78.1 | 173.2 | 180 | -171.4 | 0.7 | 111.4 | A216 E217 R223 A224 | A216-R220 VanDerWaalsContact O-CB 3.28Å; A216-R220 WeakPolarHBondContact O-CB 3.36Å; A216-R220 WeakPolarHBondContact O-CD 3.18Å; A216-R220 WeakPolarHBondContact O-CG 3.43Å; A216-R220 PolarHBondContact O-N 2.91Å; E217-R220 PolarHBondContact O-N 3.42Å; R220-R223 PolarHBondContact O-N 3.46Å; R220-A224 WeakPolarHBondContact O-CB 3.2Å; R220-A224 PolarHBondContact O-N 3.41Å |
| 221 | E | 96.9 | Very high | 95.9 | Very high | 106 Ų | 106 | 88.7 Ų | 88.7 | 50% | 0.495 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65 | -44.1 | 177.4 | -164.3 | -168 | 154.2 | 0 | 0 | 111.4 | E217 A218 R223 A224 K225 | E217-E221 PolarHBondContact O-N 3.34Å; A218-E221 PolarHBondContact O-N 2.74Å; E221-R223 PolarHBondContact O-N 3.14Å; E221-A224 PolarHBondContact O-N 2.93Å; E221-K225 WeakPolarHBondContact O-CG 3.42Å; E221-K225 PolarHBondContact O-N 3.11Å; E221-K225 VanDerWaalsContact OE1-CE 3.25Å; E221-K225 WeakPolarHBondContact OE1-CE 3.31Å; E221-K225 IonicContact OE1-NZ 3.32Å; E221-K225 PolarHBondContact OE1-NZ 3.28Å |
| 222 | A | 97.2 | Very high | 96.1 | Very high | 50 Ų | 50 | 92.7 Ų | 92.7 | 41% | 0.413 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.5 | -45.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A218 A224 K225 I226 | A218-A222 WeakPolarHBondContact O-CB 3.13Å; A218-A222 PolarHBondContact O-N 3.37Å; A222-A224 PolarHBondContact O-N 3.07Å; A222-K225 PolarHBondContact O-N 3.37Å; A222-I226 WeakPolarHBondContact O-CG1 3.49Å; A222-I226 PolarHBondContact O-N 3.32Å; A222-I226 VanDerWaalsContact O-N 3.13Å |
| 223 | R | 96.9 | Very high | 96.4 | Very high | 176 Ų | 176 | 94.9 Ų | 94.9 | 66% | 0.664 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.9 | -41.1 | 175.9 | -75.5 | 177.5 | -175.6 | -171 | 3.4 | 112.1 | S219 R220 E221 K225 I226 I227 | S219-R223 WeakPolarHBondContact O-CB 2.89Å; S219-R223 VanDerWaalsContact O-CG 3.27Å; S219-R223 WeakPolarHBondContact O-CG 3.39Å; S219-R223 PolarHBondContact O-N 2.9Å; R220-R223 PolarHBondContact O-N 3.46Å; E221-R223 PolarHBondContact O-N 3.14Å; R223-K225 VanDerWaalsContact C-N 3.32Å; R223-K225 PolarHBondContact O-N 3.12Å; R223-I226 PolarHBondContact O-N 2.56Å; R223-I227 VanDerWaalsContact O-CG1 3.3Å; R223-I227 WeakPolarHBondContact O-CG1 3.47Å; R223-I227 PolarHBondContact O-N 2.96Å |
| 224 | A | 97.7 | Very high | 96.6 | Very high | 56 Ų | 56 | 95.9 Ų | 95.9 | 46% | 0.463 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.9 | -41.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | R220 E221 A222 I227 A228 | R220-A224 WeakPolarHBondContact O-CB 3.2Å; R220-A224 PolarHBondContact O-N 3.41Å; E221-A224 PolarHBondContact O-N 2.93Å; A222-A224 PolarHBondContact O-N 3.07Å; A224-I227 PolarHBondContact O-N 3.39Å; A224-A228 WeakPolarHBondContact O-CB 3.41Å; A224-A228 PolarHBondContact O-N 3.49Å |
| 225 | K | 97.4 | Very high | 96.7 | Very high | 128 Ų | 128 | 95.6 Ų | 95.6 | 56% | 0.557 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.4 | -41.3 | 175.6 | -73.3 | 174.6 | -175 | 165.3 | 0 | 112.6 | E221 A222 R223 A228 A229 | E221-K225 WeakPolarHBondContact O-CG 3.42Å; E221-K225 PolarHBondContact O-N 3.11Å; E221-K225 VanDerWaalsContact OE1-CE 3.25Å; E221-K225 WeakPolarHBondContact OE1-CE 3.31Å; E221-K225 IonicContact OE1-NZ 3.32Å; E221-K225 PolarHBondContact OE1-NZ 3.28Å; A222-K225 PolarHBondContact O-N 3.37Å; R223-K225 VanDerWaalsContact C-N 3.32Å; R223-K225 PolarHBondContact O-N 3.12Å; K225-A228 PolarHBondContact O-N 3.42Å; K225-A229 WeakPolarHBondContact O-CB 3.02Å; K225-A229 PolarHBondContact O-N 2.98Å |
| 226 | I | 97.9 | Very high | 96.9 | Very high | 110 Ų | 110 | 92.3 Ų | 92.3 | 56% | 0.564 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.1 | -47.8 | 176.5 | -65.8 | 166.8 | 0 | 0 | 0 | 110.3 | A222 R223 A228 A229 E230 | A222-I226 WeakPolarHBondContact O-CG1 3.49Å; A222-I226 PolarHBondContact O-N 3.32Å; A222-I226 VanDerWaalsContact O-N 3.13Å; R223-I226 PolarHBondContact O-N 2.56Å; I226-A228 VanDerWaalsContact C-N 3.3Å; I226-A228 PolarHBondContact O-N 3.26Å; I226-A229 PolarHBondContact O-N 2.85Å; I226-E230 WeakPolarHBondContact O-CB 3.39Å; I226-E230 PolarHBondContact O-N 3.18Å |
| 227 | I | 97.9 | Very high | 97.1 | Very high | 116 Ų | 116 | 96.9 Ų | 96.9 | 60% | 0.595 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.9 | -39.2 | 178.8 | -66.6 | 166.3 | 0 | 0 | 0 | 111 | R223 A224 G231 | R223-I227 VanDerWaalsContact O-CG1 3.3Å; R223-I227 WeakPolarHBondContact O-CG1 3.47Å; R223-I227 PolarHBondContact O-N 2.96Å; A224-I227 PolarHBondContact O-N 3.39Å; I227-G231 PolarHBondContact O-N 3.39Å |
| 228 | A | 97.6 | Very high | 97.1 | Very high | 56 Ų | 56 | 93 Ų | 93 | 46% | 0.463 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.8 | -48.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | A224 K225 I226 E230 G231 E232 | A224-A228 WeakPolarHBondContact O-CB 3.41Å; A224-A228 PolarHBondContact O-N 3.49Å; K225-A228 PolarHBondContact O-N 3.42Å; I226-A228 VanDerWaalsContact C-N 3.3Å; I226-A228 PolarHBondContact O-N 3.26Å; A228-E230 VanDerWaalsContact C-N 3.35Å; A228-E230 PolarHBondContact O-N 2.99Å; A228-G231 PolarHBondContact O-N 3.39Å; A228-E232 WeakPolarHBondContact O-CG 3.43Å; A228-E232 PolarHBondContact O-N 3.15Å |
| 229 | A | 97.6 | Very high | 97 | Very high | 57 Ų | 57 | 96 Ų | 96 | 47% | 0.471 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | K225 I226 E232 M233 | K225-A229 WeakPolarHBondContact O-CB 3.02Å; K225-A229 PolarHBondContact O-N 2.98Å; I226-A229 PolarHBondContact O-N 2.85Å; A229-E232 PolarHBondContact O-N 3.24Å; A229-M233 WeakPolarHBondContact O-CB 3.03Å; A229-M233 PolarHBondContact O-N 3.08Å |
| 230 | E | 97.6 | Very high | 97 | Very high | 112 Ų | 112 | 100.4 Ų | 100.4 | 52% | 0.523 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.7 | -39.8 | 174.9 | -172.2 | 170.6 | -170.1 | 0 | 0 | 111.5 | I226 A228 M233 N234 | I226-E230 WeakPolarHBondContact O-CB 3.39Å; I226-E230 PolarHBondContact O-N 3.18Å; A228-E230 VanDerWaalsContact C-N 3.35Å; A228-E230 PolarHBondContact O-N 2.99Å; E230-M233 PolarHBondContact O-N 3.33Å; E230-N234 WeakPolarHBondContact O-CB 3.29Å; E230-N234 VanDerWaalsContact O-CG 3.26Å; E230-N234 PolarHBondContact O-N 3.13Å; E230-N234 PolarHBondContact O-ND2 3.01Å |
| 231 | G | 98.2 | Very high | 96.9 | Very high | 38 Ų | 38 | 96.9 Ų | 96.9 | 39% | 0.392 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.8 | -46 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I227 A228 N234 A235 | I227-G231 PolarHBondContact O-N 3.39Å; A228-G231 PolarHBondContact O-N 3.39Å; G231-N234 PolarHBondContact O-N 2.71Å; G231-A235 VanDerWaalsContact O-CB 3.31Å; G231-A235 WeakPolarHBondContact O-CB 3.39Å; G231-A235 PolarHBondContact O-N 3.31Å |
| 232 | E | 96.8 | Very high | 96.6 | Very high | 143 Ų | 143 | 93.7 Ų | 93.7 | 67% | 0.668 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.9 | -41.3 | 176.2 | -76.5 | -176.5 | 179 | 0 | 0 | 112.4 | A228 A229 A235 S236 | A228-E232 WeakPolarHBondContact O-CG 3.43Å; A228-E232 PolarHBondContact O-N 3.15Å; A229-E232 PolarHBondContact O-N 3.24Å; E232-A235 PolarHBondContact O-N 2.93Å; E232-S236 VanDerWaalsContact O-CB 3.29Å; E232-S236 WeakPolarHBondContact O-CB 3.46Å; E232-S236 PolarHBondContact O-N 3.31Å; E232-S236 PolarHBondContact O-OG 3.36Å |
| 233 | M | 97.1 | Very high | 96.4 | Very high | 113 Ų | 113 | 94 Ų | 94 | 56% | 0.557 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.6 | -45.3 | 176.4 | -173.6 | -173.9 | -174.6 | 0 | 0 | 111.4 | A229 E230 S236 R237 | A229-M233 WeakPolarHBondContact O-CB 3.03Å; A229-M233 PolarHBondContact O-N 3.08Å; E230-M233 PolarHBondContact O-N 3.33Å; M233-S236 PolarHBondContact O-N 3.31Å; M233-R237 PolarHBondContact O-N 3.37Å |
| 234 | N | 97.3 | Very high | 96.1 | Very high | 79 Ų | 79 | 90.7 Ų | 90.7 | 42% | 0.422 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.2 | -43.3 | 178.4 | -73.4 | -25.3 | 0 | 0 | 0 | 111.3 | E230 G231 R237 A238 | E230-N234 WeakPolarHBondContact O-CB 3.29Å; E230-N234 VanDerWaalsContact O-CG 3.26Å; E230-N234 PolarHBondContact O-N 3.13Å; E230-N234 PolarHBondContact O-ND2 3.01Å; G231-N234 PolarHBondContact O-N 2.71Å; N234-R237 PolarHBondContact O-N 2.91Å; N234-A238 PolarHBondContact O-N 3.42Å |
| 235 | A | 96.9 | Very high | 95.7 | Very high | 52 Ų | 52 | 92.5 Ų | 92.5 | 43% | 0.43 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.1 | -44.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | G231 E232 R237 A238 L239 | G231-A235 VanDerWaalsContact O-CB 3.31Å; G231-A235 WeakPolarHBondContact O-CB 3.39Å; G231-A235 PolarHBondContact O-N 3.31Å; E232-A235 PolarHBondContact O-N 2.93Å; A235-R237 VanDerWaalsContact C-N 3.32Å; A235-R237 PolarHBondContact O-N 3.36Å; A235-A238 PolarHBondContact O-N 3.27Å; A235-L239 WeakPolarHBondContact O-CB 3.21Å; A235-L239 WeakPolarHBondContact O-CG 3.09Å; A235-L239 PolarHBondContact O-N 3.43Å |
| 236 | S | 96.9 | Very high | 95.3 | Very high | 72 Ų | 72 | 87.7 Ų | 87.7 | 50% | 0.503 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.7 | -38.5 | 177.9 | -61.8 | 0 | 0 | 0 | 0 | 112.2 | E232 M233 L239 K240 | E232-S236 VanDerWaalsContact O-CB 3.29Å; E232-S236 WeakPolarHBondContact O-CB 3.46Å; E232-S236 PolarHBondContact O-N 3.31Å; E232-S236 PolarHBondContact O-OG 3.36Å; M233-S236 PolarHBondContact O-N 3.31Å; S236-L239 PolarHBondContact O-N 3.33Å; S236-K240 WeakPolarHBondContact O-CB 2.88Å; S236-K240 PolarHBondContact O-N 2.94Å |
| 237 | R | 97.1 | Very high | 94.8 | Very high | 133 Ų | 133 | 85.1 Ų | 85.1 | 50% | 0.502 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64 | -48.1 | 175.2 | -172.5 | -179.5 | -63.3 | 172.2 | 2.5 | 111.4 | M233 N234 A235 L239 K240 E241 | M233-R237 PolarHBondContact O-N 3.37Å; N234-R237 PolarHBondContact O-N 2.91Å; A235-R237 VanDerWaalsContact C-N 3.32Å; A235-R237 PolarHBondContact O-N 3.36Å; R237-L239 VanDerWaalsContact C-N 3.33Å; R237-L239 PolarHBondContact O-N 2.93Å; R237-K240 WeakPolarHBondContact O-CB 3.45Å; R237-K240 PolarHBondContact O-N 2.78Å; R237-E241 PolarHBondContact O-N 3.45Å |
| 238 | A | 95.8 | Very high | 94.5 | Very high | 56 Ų | 56 | 87.2 Ų | 87.2 | 46% | 0.463 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.2 | -41.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N234 A235 E241 A242 | N234-A238 PolarHBondContact O-N 3.42Å; A235-A238 PolarHBondContact O-N 3.27Å; A238-E241 PolarHBondContact O-N 3.08Å; A238-A242 WeakPolarHBondContact O-CB 3.48Å; A238-A242 PolarHBondContact O-N 3.14Å |
| 239 | L | 93.8 | Very high | 94 | Very high | 124 Ų | 124 | 86.3 Ų | 86.3 | 65% | 0.649 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.4 | -39.7 | 175.4 | -73.5 | 172.9 | 0 | 0 | 0 | 112.3 | A235 S236 R237 A242 A243 | A235-L239 WeakPolarHBondContact O-CB 3.21Å; A235-L239 WeakPolarHBondContact O-CG 3.09Å; A235-L239 PolarHBondContact O-N 3.43Å; S236-L239 PolarHBondContact O-N 3.33Å; R237-L239 VanDerWaalsContact C-N 3.33Å; R237-L239 PolarHBondContact O-N 2.93Å; L239-A242 PolarHBondContact O-N 3.41Å; L239-A243 WeakPolarHBondContact O-CB 3.07Å; L239-A243 PolarHBondContact O-N 3.17Å |
| 240 | K | 95.4 | Very high | 93.3 | Very high | 143 Ų | 143 | 88.6 Ų | 88.6 | 62% | 0.622 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62 | -47.1 | 175.1 | -179 | -173.4 | 175.7 | -174.9 | 0 | 111.4 | S236 R237 A243 L244 | S236-K240 WeakPolarHBondContact O-CB 2.88Å; S236-K240 PolarHBondContact O-N 2.94Å; R237-K240 WeakPolarHBondContact O-CB 3.45Å; R237-K240 PolarHBondContact O-N 2.78Å; K240-A243 PolarHBondContact O-N 3.46Å; K240-L244 WeakPolarHBondContact O-CG 3.3Å; K240-L244 PolarHBondContact O-N 3.05Å |
| 241 | E | 94.7 | Very high | 92.8 | Very high | 115 Ų | 115 | 86.8 Ų | 86.8 | 54% | 0.537 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.7 | -46.5 | 176.8 | -72.7 | 172 | -167.7 | 0 | 0 | 111.1 | R237 A238 A243 L244 V245 | R237-E241 PolarHBondContact O-N 3.45Å; A238-E241 PolarHBondContact O-N 3.08Å; E241-A243 VanDerWaalsContact C-N 3.31Å; E241-A243 PolarHBondContact O-N 2.7Å; E241-L244 PolarHBondContact O-N 3.23Å; E241-V245 WeakPolarHBondContact O-CG2 3.48Å; E241-V245 PolarHBondContact O-N 2.04Å; E241-V245 VanDerWaalsContact O-N 3.09Å |
| 242 | A | 91.8 | Very high | 92.3 | Very high | 38 Ų | 38 | 86.4 Ų | 86.4 | 31% | 0.314 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.4 | -41.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | A238 L239 V245 I246 | A238-A242 WeakPolarHBondContact O-CB 3.48Å; A238-A242 PolarHBondContact O-N 3.14Å; L239-A242 PolarHBondContact O-N 3.41Å; A242-V245 PolarHBondContact O-N 3.03Å; A242-I246 WeakPolarHBondContact O-CB 3.42Å; A242-I246 WeakPolarHBondContact O-CD1 3.38Å; A242-I246 WeakPolarHBondContact O-CG1 3.32Å; A242-I246 PolarHBondContact O-N 3.46Å |
| 243 | A | 91.3 | Very high | 91.7 | Very high | 58 Ų | 58 | 84.6 Ų | 84.6 | 48% | 0.479 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.1 | -39.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L239 K240 E241 I246 G247 | L239-A243 WeakPolarHBondContact O-CB 3.07Å; L239-A243 PolarHBondContact O-N 3.17Å; K240-A243 PolarHBondContact O-N 3.46Å; E241-A243 VanDerWaalsContact C-N 3.31Å; E241-A243 PolarHBondContact O-N 2.7Å; A243-I246 PolarHBondContact O-N 3.24Å; A243-G247 PolarHBondContact O-N 3.21Å |
| 244 | L | 91 | Very high | 91.1 | Very high | 106 Ų | 106 | 85.8 Ų | 85.8 | 56% | 0.555 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.9 | -47.9 | 174.7 | -70.3 | 170.6 | 0 | 0 | 0 | 111.1 | K240 E241 I246 G247 E248 | K240-L244 WeakPolarHBondContact O-CG 3.3Å; K240-L244 PolarHBondContact O-N 3.05Å; E241-L244 PolarHBondContact O-N 3.23Å; L244-I246 PolarHBondContact O-N 2.99Å; L244-G247 PolarHBondContact O-N 2.91Å; L244-G247 VanDerWaalsContact O-N 3.07Å; L244-E248 PolarHBondContact O-N 3.4Å; L244-E248 VanDerWaalsContact O-N 3.15Å |
| 245 | V | 89.8 | Confident | 90.6 | Very high | 93 Ų | 93 | 87.3 Ų | 87.3 | 56% | 0.564 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.8 | -40.5 | 178.3 | 175.5 | 0 | 0 | 0 | 0 | 111.8 | E241 A242 G247 E248 | E241-V245 WeakPolarHBondContact O-CG2 3.48Å; E241-V245 PolarHBondContact O-N 2.04Å; E241-V245 VanDerWaalsContact O-N 3.09Å; A242-V245 PolarHBondContact O-N 3.03Å; V245-G247 VanDerWaalsContact C-N 3.3Å; V245-G247 PolarHBondContact O-N 3.46Å; V245-E248 PolarHBondContact O-N 3.19Å |
| 246 | I | 89.1 | Confident | 90 | Very high | 27 Ų | 27 | 90.8 Ų | 90.8 | 14% | 0.138 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -62.8 | -39.5 | 173.6 | -67.9 | 161 | 0 | 0 | 0 | 110.9 | A242 A243 L244 E248 A249 A252 L253 | A242-I246 WeakPolarHBondContact O-CB 3.42Å; A242-I246 WeakPolarHBondContact O-CD1 3.38Å; A242-I246 WeakPolarHBondContact O-CG1 3.32Å; A242-I246 PolarHBondContact O-N 3.46Å; A243-I246 PolarHBondContact O-N 3.24Å; L244-I246 PolarHBondContact O-N 2.99Å; I246-E248 VanDerWaalsContact C-N 3.28Å; I246-E248 PolarHBondContact O-N 3.03Å; I246-A249 CarbonylContact O-C 3.57Å; I246-A249 PolarHBondContact O-N 3.41Å; I246-A252 HydrophobicContact CG2-CB 4.35Å; I246-L253 HydrophobicContact CG2-CB 4.42Å; I246-L253 HydrophobicContact CG2-CD1 4.47Å; I246-L253 HydrophobicContact CG2-CD2 3.52Å; I246-L253 HydrophobicContact CG2-CG 3.47Å; I246-L253 VanDerWaalsContact CG2-CG 3.47Å |
| 247 | G | 87.6 | Confident | 89.3 | Confident | 57 Ų | 57 | 91 Ų | 91 | 59% | 0.588 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65 | -29.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | A243 L244 V245 A249 | A243-G247 PolarHBondContact O-N 3.21Å; L244-G247 PolarHBondContact O-N 2.91Å; L244-G247 VanDerWaalsContact O-N 3.07Å; V245-G247 VanDerWaalsContact C-N 3.3Å; V245-G247 PolarHBondContact O-N 3.46Å; G247-A249 VanDerWaalsContact C-N 3.26Å; G247-A249 PolarHBondContact O-N 3.48Å |
| 248 | E | 90.9 | Very high | 88.8 | Confident | 159 Ų | 159 | 89.6 Ų | 89.6 | 74% | 0.743 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.6 | -26.9 | 175.3 | -69.4 | 176.9 | 179.1 | 0 | 0 | 112.9 | L244 V245 I246 | L244-E248 PolarHBondContact O-N 3.4Å; L244-E248 VanDerWaalsContact O-N 3.15Å; V245-E248 PolarHBondContact O-N 3.19Å; I246-E248 VanDerWaalsContact C-N 3.28Å; I246-E248 PolarHBondContact O-N 3.03Å |
| 249 | A | 88.5 | Confident | 88.4 | Confident | 38 Ų | 38 | 93 Ų | 93 | 31% | 0.314 | 51% | 0.506 | S | S | . | . | trans | -129 | 103 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I246 G247 S251 A252 | I246-A249 CarbonylContact O-C 3.57Å; I246-A249 PolarHBondContact O-N 3.41Å; G247-A249 VanDerWaalsContact C-N 3.26Å; G247-A249 PolarHBondContact O-N 3.48Å; A249-S251 PolarHBondContact O-N 2.67Å; A249-S251 VanDerWaalsContact O-N 3.07Å; A249-A252 HydrophobicContact CB-CB 4.34Å; A249-A252 VanDerWaalsContact O-CB 3.27Å; A249-A252 WeakPolarHBondContact O-CB 3.35Å; A249-A252 PolarHBondContact O-N 2.98Å | ||
| 250 | P | 82.9 | Confident | 88 | Confident | 104 Ų | 104 | 90.6 Ų | 90.6 | 68% | 0.675 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.2 | -23.4 | -176.7 | 23 | -32.7 | 0 | 0 | 0 | 113.7 | A252 L253 | P250-A252 VanDerWaalsContact C-N 3.28Å; P250-A252 PolarHBondContact O-N 3.3Å; P250-L253 PolarHBondContact O-N 3.31Å |
| 251 | S | 86.8 | Confident | 87.3 | Confident | 75 Ų | 75 | 86.1 Ų | 86.1 | 52% | 0.524 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66 | -26.5 | 172.9 | 52.4 | 0 | 0 | 0 | 0 | 113.4 | A249 Q254 L255 | A249-S251 PolarHBondContact O-N 2.67Å; A249-S251 VanDerWaalsContact O-N 3.07Å; S251-Q254 PolarHBondContact O-N 3.44Å; S251-L255 PolarHBondContact O-N 2.97Å; S251-L255 VanDerWaalsContact O-N 3.08Å |
| 252 | A | 86.2 | Confident | 86.7 | Confident | 29 Ų | 29 | 86.3 Ų | 86.3 | 24% | 0.24 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -69.3 | -35.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | I246 A249 P250 Q254 L255 R256 | I246-A252 HydrophobicContact CG2-CB 4.35Å; A249-A252 HydrophobicContact CB-CB 4.34Å; A249-A252 VanDerWaalsContact O-CB 3.27Å; A249-A252 WeakPolarHBondContact O-CB 3.35Å; A249-A252 PolarHBondContact O-N 2.98Å; P250-A252 VanDerWaalsContact C-N 3.28Å; P250-A252 PolarHBondContact O-N 3.3Å; A252-Q254 VanDerWaalsContact C-N 3.31Å; A252-Q254 PolarHBondContact O-N 2.84Å; A252-L255 PolarHBondContact O-N 2.98Å; A252-R256 WeakPolarHBondContact O-CB 3.38Å; A252-R256 PolarHBondContact O-N 2.97Å |
| 253 | L | 85.6 | Confident | 86.2 | Confident | 106 Ų | 106 | 87.3 Ų | 87.3 | 56% | 0.555 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.4 | -41.7 | 172.2 | -81.3 | 168.9 | 0 | 0 | 0 | 111.4 | I246 P250 R256 Y257 | I246-L253 HydrophobicContact CG2-CB 4.42Å; I246-L253 HydrophobicContact CG2-CD1 4.47Å; I246-L253 HydrophobicContact CG2-CD2 3.52Å; I246-L253 HydrophobicContact CG2-CG 3.47Å; I246-L253 VanDerWaalsContact CG2-CG 3.47Å; P250-L253 PolarHBondContact O-N 3.31Å; L253-R256 PolarHBondContact O-N 3.31Å; L253-Y257 WeakPolarHBondContact O-CB 3.29Å; L253-Y257 PolarHBondContact O-N 2.93Å |
| 254 | Q | 83.5 | Confident | 85.5 | Confident | 137 Ų | 137 | 88.5 Ų | 88.5 | 64% | 0.64 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -67.7 | -40.4 | -179 | -144.9 | 165.7 | 3 | 0 | 0 | 111.5 | S251 A252 Y257 L258 | S251-Q254 PolarHBondContact O-N 3.44Å; A252-Q254 VanDerWaalsContact C-N 3.31Å; A252-Q254 PolarHBondContact O-N 2.84Å; Q254-Y257 WeakPolarHBondContact O-CB 3.03Å; Q254-Y257 PolarHBondContact O-N 3.18Å; Q254-L258 WeakPolarHBondContact O-CG 3.5Å; Q254-L258 PolarHBondContact O-N 3.44Å |
| 255 | L | 87.5 | Confident | 84.7 | Confident | 111 Ų | 111 | 86.8 Ų | 86.8 | 58% | 0.581 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.2 | -43.7 | 171.9 | -72.2 | 171.8 | 0 | 0 | 0 | 112.3 | S251 A252 Y257 L258 Q259 | S251-L255 PolarHBondContact O-N 2.97Å; S251-L255 VanDerWaalsContact O-N 3.08Å; A252-L255 PolarHBondContact O-N 2.98Å; L255-Y257 VanDerWaalsContact C-N 3.32Å; L255-Y257 PolarHBondContact O-N 3.3Å; L255-L258 PolarHBondContact O-N 3.24Å; L255-Q259 WeakPolarHBondContact O-CG 3.46Å; L255-Q259 PolarHBondContact O-N 3.07Å |
| 256 | R | 84.8 | Confident | 84.1 | Confident | 126 Ų | 126 | 86 Ų | 86 | 48% | 0.475 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59 | -44.9 | 175.4 | -168.9 | 85.6 | 75.9 | 172.9 | 0.1 | 110.6 | A252 L253 L258 Q259 T260 | A252-R256 WeakPolarHBondContact O-CB 3.38Å; A252-R256 PolarHBondContact O-N 2.97Å; L253-R256 PolarHBondContact O-N 3.31Å; R256-L258 PolarHBondContact O-N 2.78Å; R256-Q259 WeakPolarHBondContact O-CB 3.35Å; R256-Q259 PolarHBondContact O-N 2.83Å; R256-T260 PolarHBondContact O-N 3.37Å; R256-T260 PolarHBondContact O-OG1 3.47Å |
| 257 | Y | 82.3 | Confident | 83.4 | Confident | 76 Ų | 76 | 91.3 Ų | 91.3 | 30% | 0.298 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.6 | -45.5 | 176.4 | 178.9 | -102.8 | 0 | 0 | 0 | 112.5 | L253 Q254 L255 Q259 T260 L261 F274 | L253-Y257 WeakPolarHBondContact O-CB 3.29Å; L253-Y257 PolarHBondContact O-N 2.93Å; Q254-Y257 WeakPolarHBondContact O-CB 3.03Å; Q254-Y257 PolarHBondContact O-N 3.18Å; L255-Y257 VanDerWaalsContact C-N 3.32Å; L255-Y257 PolarHBondContact O-N 3.3Å; Y257-Q259 VanDerWaalsContact C-N 3.34Å; Y257-Q259 PolarHBondContact O-N 2.89Å; Y257-T260 WeakPolarHBondContact CA-OG1 3.21Å; Y257-T260 PolarHBondContact O-N 3.1Å; Y257-T260 PolarHBondContact O-OG1 3.16Å; Y257-L261 HydrophobicContact CD1-CD1 3.89Å; Y257-L261 HydrophobicContact CE1-CD1 3.45Å; Y257-L261 VanDerWaalsContact CE1-CD1 3.45Å; Y257-L261 HydrophobicContact CE1-CG 4.26Å; Y257-L261 WeakPolarHBondContact O-CG 3.41Å; Y257-L261 PolarHBondContact O-N 3.31Å; Y257-F274 WeakPolarHBondContact OH-CE1 3.43Å; Y257-F274 VanDerWaalsContact OH-CZ 3.31Å; Y257-F274 WeakPolarHBondContact OH-CZ 3.22Å |
| 258 | L | 86.7 | Confident | 82.3 | Confident | 103 Ų | 103 | 98.4 Ų | 98.4 | 54% | 0.539 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.4 | -37.3 | 175 | -68.5 | 174.1 | 0 | 0 | 0 | 112.3 | Q254 L255 R256 L261 N262 | Q254-L258 WeakPolarHBondContact O-CG 3.5Å; Q254-L258 PolarHBondContact O-N 3.44Å; L255-L258 PolarHBondContact O-N 3.24Å; R256-L258 PolarHBondContact O-N 2.78Å; L258-L261 HydrophobicContact CD2-CD1 4.4Å; L258-L261 PolarHBondContact O-N 3.5Å; L258-N262 PolarHBondContact O-N 2.94Å |
| 259 | Q | 85.9 | Confident | 80.8 | Confident | 127 Ų | 127 | 96.6 Ų | 96.6 | 59% | 0.593 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.2 | -42.9 | 174.8 | -74.5 | 177.9 | -21.2 | 0 | 0 | 112 | L255 R256 Y257 L261 N262 A263 | L255-Q259 WeakPolarHBondContact O-CG 3.46Å; L255-Q259 PolarHBondContact O-N 3.07Å; R256-Q259 WeakPolarHBondContact O-CB 3.35Å; R256-Q259 PolarHBondContact O-N 2.83Å; Y257-Q259 VanDerWaalsContact C-N 3.34Å; Y257-Q259 PolarHBondContact O-N 2.89Å; Q259-L261 VanDerWaalsContact C-N 3.33Å; Q259-L261 PolarHBondContact O-N 3.5Å; Q259-N262 PolarHBondContact O-N 3.4Å; Q259-A263 PolarHBondContact O-N 2.92Å |
| 260 | T | 85.4 | Confident | 79.1 | Confident | 75 Ų | 75 | 100.8 Ų | 100.8 | 46% | 0.46 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.9 | -40.8 | 174.5 | 7.8 | 0 | 0 | 0 | 0 | 111.4 | R256 Y257 N262 A263 I264 | R256-T260 PolarHBondContact O-N 3.37Å; R256-T260 PolarHBondContact O-OG1 3.47Å; Y257-T260 WeakPolarHBondContact CA-OG1 3.21Å; Y257-T260 PolarHBondContact O-N 3.1Å; Y257-T260 PolarHBondContact O-OG1 3.16Å; T260-N262 VanDerWaalsContact C-N 3.3Å; T260-N262 PolarHBondContact O-N 3.26Å; T260-A263 PolarHBondContact O-N 3.01Å; T260-I264 WeakPolarHBondContact O-CB 3.47Å; T260-I264 WeakPolarHBondContact O-CD1 3.3Å; T260-I264 VanDerWaalsContact O-CG1 3.22Å; T260-I264 WeakPolarHBondContact O-CG1 3.5Å; T260-I264 PolarHBondContact O-N 3.3Å |
| 261 | L | 81.1 | Confident | 78.2 | Confident | 48 Ų | 48 | 101 Ų | 101 | 25% | 0.251 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60 | -41 | 174.6 | -73.9 | 175.6 | 0 | 0 | 0 | 112.1 | Y257 L258 Q259 I264 A265 F274 | Y257-L261 HydrophobicContact CD1-CD1 3.89Å; Y257-L261 HydrophobicContact CE1-CD1 3.45Å; Y257-L261 VanDerWaalsContact CE1-CD1 3.45Å; Y257-L261 HydrophobicContact CE1-CG 4.26Å; Y257-L261 WeakPolarHBondContact O-CG 3.41Å; Y257-L261 PolarHBondContact O-N 3.31Å; L258-L261 HydrophobicContact CD2-CD1 4.4Å; L258-L261 PolarHBondContact O-N 3.5Å; Q259-L261 VanDerWaalsContact C-N 3.33Å; Q259-L261 PolarHBondContact O-N 3.5Å; L261-I264 PolarHBondContact O-N 2.94Å; L261-A265 WeakPolarHBondContact O-CB 3.43Å; L261-A265 PolarHBondContact O-N 3.14Å; L261-F274 HydrophobicContact CD2-CE2 4.06Å; L261-F274 HydrophobicContact CD2-CZ 4.47Å |
| 262 | N | 81.6 | Confident | 76.9 | Confident | 120 Ų | 120 | 102.9 Ų | 102.9 | 64% | 0.642 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -68.1 | -38.5 | 177.6 | -162 | 25.8 | 0 | 0 | 0 | 112.2 | L258 Q259 T260 A265 A266 | L258-N262 PolarHBondContact O-N 2.94Å; Q259-N262 PolarHBondContact O-N 3.4Å; T260-N262 VanDerWaalsContact C-N 3.3Å; T260-N262 PolarHBondContact O-N 3.26Å; N262-A265 PolarHBondContact O-N 3.34Å; N262-A266 PolarHBondContact O-N 2.96Å; N262-A266 VanDerWaalsContact O-N 3.08Å |
| 263 | A | 81.4 | Confident | 75.9 | Confident | 59 Ų | 59 | 108.6 Ų | 108.6 | 49% | 0.488 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.9 | -43 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q259 T260 A265 A266 E267 | Q259-A263 PolarHBondContact O-N 2.92Å; T260-A263 PolarHBondContact O-N 3.01Å; A263-A265 VanDerWaalsContact C-N 3.34Å; A263-A266 WeakPolarHBondContact O-CB 3.28Å; A263-A266 PolarHBondContact O-N 3.16Å; A263-E267 PolarHBondContact O-N 3.44Å |
| 264 | I | 78.1 | Confident | 74.8 | Confident | 82 Ų | 82 | 108.9 Ų | 108.9 | 42% | 0.421 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.5 | -37.3 | 175.6 | -65.5 | 163.4 | 0 | 0 | 0 | 111 | T260 L261 A266 | T260-I264 WeakPolarHBondContact O-CB 3.47Å; T260-I264 WeakPolarHBondContact O-CD1 3.3Å; T260-I264 VanDerWaalsContact O-CG1 3.22Å; T260-I264 WeakPolarHBondContact O-CG1 3.5Å; T260-I264 PolarHBondContact O-N 3.3Å; L261-I264 PolarHBondContact O-N 2.94Å; I264-A266 VanDerWaalsContact C-N 3.25Å; I264-A266 PolarHBondContact O-N 3.14Å |
| 265 | A | 74.1 | Confident | 73.9 | Confident | 71 Ų | 71 | 106.4 Ų | 106.4 | 59% | 0.587 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68.4 | -24.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | L261 N262 A263 | L261-A265 WeakPolarHBondContact O-CB 3.43Å; L261-A265 PolarHBondContact O-N 3.14Å; N262-A265 PolarHBondContact O-N 3.34Å; A263-A265 VanDerWaalsContact C-N 3.34Å |
| 266 | A | 75.8 | Confident | 73.1 | Confident | 75 Ų | 75 | 106.3 Ų | 106.3 | 62% | 0.62 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -79.4 | -36.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | N262 A263 I264 K268 | N262-A266 PolarHBondContact O-N 2.96Å; N262-A266 VanDerWaalsContact O-N 3.08Å; A263-A266 WeakPolarHBondContact O-CB 3.28Å; A263-A266 PolarHBondContact O-N 3.16Å; I264-A266 VanDerWaalsContact C-N 3.25Å; I264-A266 PolarHBondContact O-N 3.14Å; A266-K268 PolarHBondContact O-N 2.95Å |
| 267 | E | 75.8 | Confident | 72.1 | Confident | 140 Ų | 140 | 103.3 Ų | 103.3 | 65% | 0.654 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -75.6 | 105.4 | 168.3 | -78.7 | -174.7 | 165.2 | 0 | 0 | 109.3 | A263 N269 | A263-E267 PolarHBondContact O-N 3.44Å; E267-N269 PolarHBondContact O-N 3.29Å |
| 268 | K | 64.3 | Low | 71.4 | Confident | 206 Ų | 206 | 105.3 Ų | 105.3 | 90% | 0.896 | 59% | 0.587 | S | S | * | * | trans | -62.9 | 63.6 | -175.9 | -61.7 | 178.3 | 179.4 | 178.2 | 0 | 114.5 | A266 | A266-K268 PolarHBondContact O-N 2.95Š| ||
| 269 | N | 58.3 | Low | 70.3 | Confident | 120 Ų | 120 | 106.4 Ų | 106.4 | 64% | 0.642 | 59% | 0.593 | S | S | * | * | trans | -98.6 | 132.3 | 175.5 | -82.5 | -26 | 0 | 0 | 0 | 110.7 | E267 T271 | E267-N269 PolarHBondContact O-N 3.29Å; N269-T271 VanDerWaalsContact C-N 3.29Å; N269-T271 PolarHBondContact O-N 2.92Å | ||
| 270 | S | 54.1 | Low | 69.2 | Low | 126 Ų | 126 | 106.7 Ų | 106.7 | 88% | 0.881 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -79.2 | 0.1 | -170.3 | 53.8 | 0 | 0 | 0 | 0 | 115.6 | ||
| 271 | T | 63.1 | Low | 68 | Low | 110 Ų | 110 | 108.8 Ų | 108.8 | 68% | 0.675 | 60% | 0.602 | S | S | * | * | trans | -132.8 | 102.5 | -179.3 | -49.2 | 0 | 0 | 0 | 0 | 109.6 | N269 | N269-T271 VanDerWaalsContact C-N 3.29Å; N269-T271 PolarHBondContact O-N 2.92Å | ||
| 272 | I | 59.8 | Low | 67 | Low | 114 Ų | 114 | 111.3 Ų | 111.3 | 59% | 0.585 | 61% | 0.613 | S | S | * | * | trans | -91.9 | 103.1 | 178.6 | -56.6 | 172.3 | 0 | 0 | 0 | 108 | F274 | I272-F274 HydrophobicContact CG2-CD2 4.47Å; I272-F274 PolarHBondContact O-N 3.5Å | ||
| 273 | I | 64.9 | Low | 66 | Low | 148 Ų | 148 | 108.5 Ų | 108.5 | 76% | 0.759 | 61% | 0.612 | S | S | * | * | trans | -80.9 | 117 | 171.8 | -61.3 | 173 | 0 | 0 | 0 | 107.1 | P275 | I273-P275 WeakPolarHBondContact O-CD 3.28Š| ||
| 274 | F | 62.5 | Low | 65.1 | Low | 112 Ų | 112 | 114.7 Ų | 114.7 | 49% | 0.491 | 63% | 0.628 | S | S | . | * | trans | -93.1 | 104.6 | -175.8 | -144.9 | -93.5 | 0 | 0 | 0 | 109.9 | Y257 L261 I272 L276 | Y257-F274 WeakPolarHBondContact OH-CE1 3.43Å; Y257-F274 VanDerWaalsContact OH-CZ 3.31Å; Y257-F274 WeakPolarHBondContact OH-CZ 3.22Å; L261-F274 HydrophobicContact CD2-CE2 4.06Å; L261-F274 HydrophobicContact CD2-CZ 4.47Å; I272-F274 HydrophobicContact CG2-CD2 4.47Å; I272-F274 PolarHBondContact O-N 3.5Å; F274-L276 HydrophobicContact CD1-CD2 3.81Å; F274-L276 HydrophobicContact CD1-CG 4.31Å; F274-L276 HydrophobicContact CE1-CD2 4.1Å; F274-L276 PolarHBondContact O-N 3.26Å; F274-L276 VanDerWaalsContact O-N 3.13Å | ||
| 275 | P | 64.4 | Low | 64.1 | Low | 86 Ų | 86 | 118.4 Ų | 118.4 | 56% | 0.558 | 65% | 0.646 | S | S | * | * | trans | -74.4 | 106.6 | 174 | 29.5 | -32.2 | 0 | 0 | 0 | 108.5 | I273 | I273-P275 WeakPolarHBondContact O-CD 3.28Š| ||
| 276 | L | 70.4 | Confident | 63.2 | Low | 108 Ų | 108 | 123.2 Ų | 123.2 | 57% | 0.565 | 66% | 0.656 | S | S | * | * | trans | -80.7 | 129.9 | 171.7 | -70.1 | 172.5 | 0 | 0 | 0 | 109.4 | F274 I278 | F274-L276 HydrophobicContact CD1-CD2 3.81Å; F274-L276 HydrophobicContact CD1-CG 4.31Å; F274-L276 HydrophobicContact CE1-CD2 4.1Å; F274-L276 PolarHBondContact O-N 3.26Å; F274-L276 VanDerWaalsContact O-N 3.13Å; L276-I278 PolarHBondContact O-N 3.09Å | ||
| 277 | P | 65.1 | Low | 62 | Low | 63 Ų | 63 | 129.1 Ų | 129.1 | 41% | 0.409 | 67% | 0.668 | S | S | . | * | trans | -62.7 | 135.3 | 177.4 | 21.5 | -28.5 | 0 | 0 | 0 | 110.9 | D279 M280 | P277-D279 PolarHBondContact O-N 3.47Å; P277-D279 VanDerWaalsContact O-N 3.11Å; P277-M280 HydrophobicContact CG-CG 4.25Å; P277-M280 HydrophobicContact CG-SD 4.15Å; P277-M280 PolarHBondContact O-N 3.03Å | ||
| 278 | I | 66.3 | Low | 60.6 | Low | 119 Ų | 119 | 135.7 Ų | 135.7 | 61% | 0.61 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -59.7 | -26.6 | -173.3 | -63.9 | 170.9 | 0 | 0 | 0 | 112 | L276 M280 M281 Q282 | L276-I278 PolarHBondContact O-N 3.09Å; I278-M280 VanDerWaalsContact C-N 3.27Å; I278-M280 PolarHBondContact O-N 3.44Å; I278-M281 WeakPolarHBondContact O-CA 3.44Å; I278-M281 WeakPolarHBondContact O-CB 3.47Å; I278-M281 PolarHBondContact O-N 3.19Å; I278-Q282 HydrophobicContact CG2-CG 4.29Å; I278-Q282 PolarHBondContact O-N 3.46Å |
| 279 | D | 64.3 | Low | 60.4 | Low | 126 Ų | 126 | 132.2 Ų | 132.2 | 67% | 0.674 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -60.7 | -33.3 | 177 | -61.1 | -31.1 | 0 | 0 | 0 | 112.9 | P277 M281 | P277-D279 PolarHBondContact O-N 3.47Å; P277-D279 VanDerWaalsContact O-N 3.11Å; D279-M281 VanDerWaalsContact C-N 3.32Å |
| 280 | M | 62.1 | Low | 60.5 | Low | 132 Ų | 132 | 132.8 Ų | 132.8 | 65% | 0.65 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -72.8 | -26.3 | 174.4 | -66.5 | -173.9 | 72 | 0 | 0 | 112.5 | P277 I278 | P277-M280 HydrophobicContact CG-CG 4.25Å; P277-M280 HydrophobicContact CG-SD 4.15Å; P277-M280 PolarHBondContact O-N 3.03Å; I278-M280 VanDerWaalsContact C-N 3.27Å; I278-M280 PolarHBondContact O-N 3.44Å |
| 281 | M | 59.6 | Low | 60.9 | Low | 120 Ų | 120 | 133.2 Ų | 133.2 | 59% | 0.591 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -82.5 | -32 | 176.2 | -67.3 | -134.9 | -58.1 | 0 | 0 | 112.7 | I278 D279 G283 F284 M285 | I278-M281 WeakPolarHBondContact O-CA 3.44Å; I278-M281 WeakPolarHBondContact O-CB 3.47Å; I278-M281 PolarHBondContact O-N 3.19Å; D279-M281 VanDerWaalsContact C-N 3.32Å; M281-G283 VanDerWaalsContact C-N 3.27Å; M281-G283 PolarHBondContact O-N 3.2Å; M281-F284 PolarHBondContact O-N 3.07Å; M281-F284 VanDerWaalsContact O-N 3.09Å; M281-M285 PolarHBondContact O-N 3.3Å |
| 282 | Q | 60.8 | Low | 60.7 | Low | 101 Ų | 101 | 134.5 Ų | 134.5 | 47% | 0.472 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -61.9 | -33.8 | 177.6 | -77.4 | -176.6 | 2.9 | 0 | 0 | 112.7 | I278 F284 M285 Q286 | I278-Q282 HydrophobicContact CG2-CG 4.29Å; I278-Q282 PolarHBondContact O-N 3.46Å; Q282-F284 PolarHBondContact O-N 2.8Å; Q282-M285 PolarHBondContact O-N 3.05Å; Q282-M285 VanDerWaalsContact O-N 3.1Å; Q282-Q286 PolarHBondContact O-N 3.08Å |
| 283 | G | 61 | Low | 60.8 | Low | 61 Ų | 61 | 135.8 Ų | 135.8 | 63% | 0.629 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -62.8 | -25.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | M281 | M281-G283 VanDerWaalsContact C-N 3.27Å; M281-G283 PolarHBondContact O-N 3.2Å |
| 284 | F | 61.8 | Low | 60.5 | Low | 189 Ų | 189 | 135 Ų | 135 | 83% | 0.829 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -87.4 | -20.9 | 173.7 | -89.4 | -89.4 | 0 | 0 | 0 | 113.2 | M281 Q282 | M281-F284 PolarHBondContact O-N 3.07Å; M281-F284 VanDerWaalsContact O-N 3.09Å; Q282-F284 PolarHBondContact O-N 2.8Å |
| 285 | M | 57.8 | Low | 60.4 | Low | 159 Ų | 159 | 136.6 Ų | 136.6 | 78% | 0.783 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -95.7 | -15.7 | -173.7 | -130.9 | 173 | 62.9 | 0 | 0 | 114.4 | M281 Q282 K287 | M281-M285 PolarHBondContact O-N 3.3Å; Q282-M285 PolarHBondContact O-N 3.05Å; Q282-M285 VanDerWaalsContact O-N 3.1Å; M285-K287 VanDerWaalsContact C-N 3.3Å; M285-K287 PolarHBondContact O-N 2.85Å |
| 286 | Q | 56 | Low | 60.1 | Low | 173 Ų | 173 | 140.5 Ų | 140.5 | 81% | 0.808 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -82 | 4.8 | 176.7 | -89.2 | -172.1 | -4.5 | 0 | 0 | 115.1 | Q282 K288 | Q282-Q286 PolarHBondContact O-N 3.08Å; Q286-K288 PolarHBondContact O-N 3.32Å |
| 287 | K | 50.5 | Low | 59.2 | Low | 199 Ų | 199 | 143.3 Ų | 143.3 | 87% | 0.865 | 71% | 0.71 | S | S | * | * | trans | -99.2 | 80 | 176.9 | -133.7 | -179.1 | -172.1 | -179.7 | 0 | 110.5 | M285 | M285-K287 VanDerWaalsContact C-N 3.3Å; M285-K287 PolarHBondContact O-N 2.85Å | ||
| 288 | K | 45.3 | Very low | 58.7 | Low | 277 Ų | 277 | 150.5 Ų | 150.5 | 100% | 1.204 | 74% | 0.738 | S | S | * | * | trans | -144.3 | 0 | 159.5 | -136.3 | -176.8 | -172.8 | -176.3 | 0 | 110.5 | Q286 | Q286-K288 PolarHBondContact O-N 3.32Š|
Retrieved 288 of 288 residues in 54.2 ms
(Link to these results)