| 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 | 34.6 | Very low | 30.3 | Very low | 235 Ų | 235 | 139.4 Ų | 139.4 | 100% | 1.158 | 77% | 0.773 | S | S | * | * | 0 | 105.7 | 0 | -89.8 | 168.5 | 159.9 | 0 | 0 | 107.2 | T3 | M1-T3 PolarHBondContact O-N 3.42Å; M1-T3 VanDerWaalsContact O-N 3.09Å | |||
| 2 | T | 29 | Very low | 33 | Very low | 137 Ų | 137 | 131.5 Ų | 131.5 | 84% | 0.84 | 73% | 0.729 | S | S | * | * | trans | -67.2 | 103.1 | 172.3 | 33.4 | 0 | 0 | 0 | 0 | 108.1 | I4 | T2-I4 PolarHBondContact O-N 3.32Š| ||
| 3 | T | 23.1 | Very low | 35.4 | Very low | 133 Ų | 133 | 123.7 Ų | 123.7 | 82% | 0.816 | 69% | 0.685 | S | S | * | * | trans | -62.9 | 100.5 | 167.5 | 41 | 0 | 0 | 0 | 0 | 107.9 | M1 S5 | M1-T3 PolarHBondContact O-N 3.42Å; M1-T3 VanDerWaalsContact O-N 3.09Å; T3-S5 PolarHBondContact O-N 2.75Å; T3-S5 VanDerWaalsContact O-N 3.07Å | ||
| 4 | I | 28.2 | Very low | 37.6 | Very low | 158 Ų | 158 | 119.6 Ų | 119.6 | 81% | 0.81 | 66% | 0.655 | S | S | * | * | trans | -65.4 | 104.9 | 162.7 | -60.8 | 168.6 | 0 | 0 | 0 | 104.5 | T2 | T2-I4 PolarHBondContact O-N 3.32Š| ||
| 5 | S | 23 | Very low | 39.7 | Very low | 92 Ų | 92 | 118.6 Ų | 118.6 | 64% | 0.643 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 130.7 | 169.6 | -177.5 | 0 | 0 | 0 | 0 | 107.5 | T3 M7 | T3-S5 PolarHBondContact O-N 2.75Å; T3-S5 VanDerWaalsContact O-N 3.07Å; S5-M7 PolarHBondContact O-N 3.09Å |
| 6 | P | 25.2 | Very low | 41.5 | Very low | 112 Ų | 112 | 114.4 Ų | 114.4 | 73% | 0.727 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 116.6 | 166.9 | 26.1 | -29.1 | 0 | 0 | 0 | 105.8 | T8 | P6-T8 PolarHBondContact O-N 3.09Š|
| 7 | M | 27.5 | Very low | 43.2 | Very low | 166 Ų | 166 | 107.9 Ų | 107.9 | 82% | 0.818 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 126.7 | 171.4 | -161.3 | 156.4 | 176.8 | 0 | 0 | 106.2 | S5 I9 | S5-M7 PolarHBondContact O-N 3.09Å; M7-I9 PolarHBondContact O-N 3.3Å |
| 8 | T | 26.3 | Very low | 44.6 | Very low | 94 Ų | 94 | 104.7 Ų | 104.7 | 58% | 0.577 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -47.9 | 133.8 | 179.8 | 27.7 | 0 | 0 | 0 | 0 | 109 | P6 E10 | P6-T8 PolarHBondContact O-N 3.09Å; T8-E10 WeakPolarHBondContact CB-OE1 3.4Å; T8-E10 PolarHBondContact O-N 3.4Å; T8-E10 PolarHBondContact OG1-OE1 3.21Å |
| 9 | I | 34.4 | Very low | 45.9 | Very low | 168 Ų | 168 | 103.4 Ų | 103.4 | 86% | 0.862 | 55% | 0.554 | S | S | * | * | trans | -65 | 79.2 | 176.5 | -58.6 | 165.6 | 0 | 0 | 0 | 106.6 | M7 | M7-I9 PolarHBondContact O-N 3.3Š| ||
| 10 | E | 35.9 | Very low | 47.1 | Very low | 141 Ų | 141 | 98.8 Ų | 98.8 | 66% | 0.659 | 53% | 0.529 | S | S | * | . | trans | -105.4 | 113.4 | -177.8 | -83.8 | 172.8 | -154.2 | 0 | 0 | 107.8 | T8 | T8-E10 WeakPolarHBondContact CB-OE1 3.4Å; T8-E10 PolarHBondContact O-N 3.4Å; T8-E10 PolarHBondContact OG1-OE1 3.21Å | ||
| 11 | T | 46.3 | Very low | 48.1 | Very low | 97 Ų | 97 | 95.6 Ų | 95.6 | 60% | 0.595 | 51% | 0.51 | S | S | * | . | trans | 64.1 | 115.2 | 174.8 | 52.2 | 0 | 0 | 0 | 0 | 116 | D13 | T11-D13 VanDerWaalsContact C-N 3.26Å; T11-D13 PolarHBondContact O-N 2.78Å | ||
| 12 | N | 62.9 | Low | 49.8 | Very low | 45 Ų | 45 | 90.8 Ų | 90.8 | 24% | 0.241 | 48% | 0.483 | C | S | . | . | trans | -67.8 | 85.4 | 172.7 | -170.8 | 10.7 | 0 | 0 | 0 | 108.1 | Y14 E15 E16 N83 | N12-Y14 PolarHBondContact O-N 3.38Å; N12-E15 HydrophobicContact CB-CB 4.13Å; N12-E15 HydrophobicContact CB-CG 4.35Å; N12-E15 VanDerWaalsContact ND2-CG 3.31Å; N12-E15 WeakPolarHBondContact ND2-CG 3.4Å; N12-E15 PolarHBondContact ND2-OE1 3Å; N12-E15 WeakPolarHBondContact O-CA 3.49Å; N12-E15 WeakPolarHBondContact O-CB 3.22Å; N12-E15 PolarHBondContact O-N 3.22Å; N12-E16 PolarHBondContact O-N 3.49Å; N12-E16 VanDerWaalsContact O-N 3.14Å; N12-N83 PolarHBondContact ND2-ND2 2.89Å; N12-N83 PolarHBondContact OD1-ND2 3.17Å | ||
| 13 | D | 64.3 | Low | 51.7 | Low | 30 Ų | 30 | 84.2 Ų | 84.2 | 16% | 0.16 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -47.3 | -31.6 | -176.8 | -66.3 | -40.6 | 0 | 0 | 0 | 112.7 | T11 E16 F17 C72 N75 | T11-D13 VanDerWaalsContact C-N 3.26Å; T11-D13 PolarHBondContact O-N 2.78Å; D13-E16 WeakPolarHBondContact O-CB 3.42Å; D13-E16 PolarHBondContact O-N 3.49Å; D13-F17 WeakPolarHBondContact O-CB 3.36Å; D13-F17 PolarHBondContact O-N 3.29Å; D13-C72 HydrophobicContact CB-CB 4.41Å; D13-N75 PolarHBondContact OD2-ND2 3.42Å |
| 14 | Y | 66.5 | Low | 53.9 | Low | 66 Ų | 66 | 77.9 Ų | 77.9 | 26% | 0.259 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.5 | -42.1 | 175 | 177.3 | -113.9 | 0 | 0 | 0 | 113.5 | N12 F17 L18 I84 L92 | N12-Y14 PolarHBondContact O-N 3.38Å; Y14-F17 PolarHBondContact O-N 2.98Å; Y14-L18 HydrophobicContact CD1-CD1 4.05Å; Y14-L18 HydrophobicContact CD2-CG 4.48Å; Y14-L18 HydrophobicContact CE1-CD1 3.45Å; Y14-L18 VanDerWaalsContact CE1-CD1 3.45Å; Y14-L18 HydrophobicContact CE1-CG 4.24Å; Y14-L18 HydrophobicContact CE2-CD1 4.1Å; Y14-L18 HydrophobicContact CE2-CD2 4.32Å; Y14-L18 HydrophobicContact CE2-CG 4.01Å; Y14-L18 VanDerWaalsContact CZ-CD1 3.49Å; Y14-L18 WeakPolarHBondContact O-CB 3.34Å; Y14-L18 WeakPolarHBondContact O-CG 3.42Å; Y14-L18 PolarHBondContact O-N 3.44Å; Y14-I84 HydrophobicContact CD1-CG2 3.98Å; Y14-I84 HydrophobicContact CD2-CD1 4.14Å; Y14-I84 HydrophobicContact CD2-CG2 3.87Å; Y14-I84 HydrophobicContact CE1-CG2 4.01Å; Y14-I84 HydrophobicContact CE2-CG2 3.95Å; Y14-I84 HydrophobicContact CG-CG2 3.88Å; Y14-L92 HydrophobicContact CD2-CD1 3.79Å; Y14-L92 HydrophobicContact CE2-CD1 3.47Å; Y14-L92 VanDerWaalsContact CE2-CD1 3.47Å; Y14-L92 HydrophobicContact CE2-CD2 4.09Å; Y14-L92 HydrophobicContact CE2-CG 4.41Å |
| 15 | E | 67.8 | Low | 55.8 | Low | 105 Ų | 105 | 73.4 Ų | 73.4 | 49% | 0.491 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67 | -39.1 | 173.6 | -85.4 | 175.4 | -157.1 | 0 | 0 | 111.4 | N12 F17 L18 K19 | N12-E15 HydrophobicContact CB-CB 4.13Å; N12-E15 HydrophobicContact CB-CG 4.35Å; N12-E15 VanDerWaalsContact ND2-CG 3.31Å; N12-E15 WeakPolarHBondContact ND2-CG 3.4Å; N12-E15 PolarHBondContact ND2-OE1 3Å; N12-E15 WeakPolarHBondContact O-CA 3.49Å; N12-E15 WeakPolarHBondContact O-CB 3.22Å; N12-E15 PolarHBondContact O-N 3.22Å; E15-F17 VanDerWaalsContact C-N 3.35Å; E15-L18 PolarHBondContact O-N 3.49Å; E15-K19 WeakPolarHBondContact O-CB 3.36Å; E15-K19 VanDerWaalsContact O-CG 3.27Å; E15-K19 WeakPolarHBondContact O-CG 3.17Å; E15-K19 PolarHBondContact O-N 3.29Å |
| 16 | E | 68.7 | Low | 57.9 | Low | 52 Ų | 52 | 71.6 Ų | 71.6 | 24% | 0.243 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -58.7 | -47.9 | 174.2 | -155.3 | 84.9 | -162.7 | 0 | 0 | 110.4 | N12 D13 K19 Q20 Q68 | N12-E16 PolarHBondContact O-N 3.49Å; N12-E16 VanDerWaalsContact O-N 3.14Å; D13-E16 WeakPolarHBondContact O-CB 3.42Å; D13-E16 PolarHBondContact O-N 3.49Å; E16-K19 PolarHBondContact O-N 3.49Å; E16-Q20 WeakPolarHBondContact O-CG 3.41Å; E16-Q20 PolarHBondContact O-N 3.12Å; E16-Q20 VanDerWaalsContact O-N 3.09Å; E16-Q68 HydrophobicContact CG-CG 4.3Å |
| 17 | F | 70.1 | Confident | 59.9 | Low | 3 Ų | 3 | 66.5 Ų | 66.5 | 1% | 0.013 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.1 | -50.1 | 174 | 169.1 | -94.2 | 0 | 0 | 0 | 111.8 | D13 Y14 E15 K19 Q20 F21 T65 Q68 L69 L92 F96 | D13-F17 WeakPolarHBondContact O-CB 3.36Å; D13-F17 PolarHBondContact O-N 3.29Å; Y14-F17 PolarHBondContact O-N 2.98Å; E15-F17 VanDerWaalsContact C-N 3.35Å; F17-K19 VanDerWaalsContact C-N 3.29Å; F17-K19 PolarHBondContact O-N 3.4Å; F17-Q20 PolarHBondContact O-N 2.91Å; F17-F21 HydrophobicContact CE1-CB 4.21Å; F17-F21 HydrophobicContact CE1-CG 4.41Å; F17-F21 HydrophobicContact CZ-CB 4.15Å; F17-F21 HydrophobicContact CZ-CD2 4.17Å; F17-F21 HydrophobicContact CZ-CG 4.16Å; F17-F21 VanDerWaalsContact O-CB 3.32Å; F17-F21 WeakPolarHBondContact O-CB 3.3Å; F17-F21 PolarHBondContact O-N 3.02Å; F17-T65 HydrophobicContact CD2-CG2 3.77Å; F17-T65 HydrophobicContact CE2-CG2 3.58Å; F17-T65 HydrophobicContact CZ-CG2 4.48Å; F17-Q68 HydrophobicContact CB-CB 4.29Å; F17-L69 HydrophobicContact CD2-CB 3.75Å; F17-L69 HydrophobicContact CD2-CD1 4.13Å; F17-L69 HydrophobicContact CD2-CG 4.48Å; F17-L69 HydrophobicContact CE2-CB 3.71Å; F17-L69 HydrophobicContact CE2-CD1 3.73Å; F17-L69 HydrophobicContact CE2-CD2 4.3Å; F17-L69 HydrophobicContact CE2-CG 4.1Å; F17-L69 HydrophobicContact CZ-CD1 4.04Å; F17-L92 HydrophobicContact CE1-CD2 3.84Å; F17-F96 HydrophobicContact CE2-CD2 4.22Å; F17-F96 HydrophobicContact CZ-CD2 4.46Å |
| 18 | L | 69.5 | Low | 61.8 | Low | 51 Ų | 51 | 58.8 Ų | 58.8 | 27% | 0.267 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.5 | -38.1 | -178.8 | -78.3 | 178 | 0 | 0 | 0 | 112.4 | Y14 E15 K22 | Y14-L18 HydrophobicContact CD1-CD1 4.05Å; Y14-L18 HydrophobicContact CD2-CG 4.48Å; Y14-L18 HydrophobicContact CE1-CD1 3.45Å; Y14-L18 VanDerWaalsContact CE1-CD1 3.45Å; Y14-L18 HydrophobicContact CE1-CG 4.24Å; Y14-L18 HydrophobicContact CE2-CD1 4.1Å; Y14-L18 HydrophobicContact CE2-CD2 4.32Å; Y14-L18 HydrophobicContact CE2-CG 4.01Å; Y14-L18 VanDerWaalsContact CZ-CD1 3.49Å; Y14-L18 WeakPolarHBondContact O-CB 3.34Å; Y14-L18 WeakPolarHBondContact O-CG 3.42Å; Y14-L18 PolarHBondContact O-N 3.44Å; E15-L18 PolarHBondContact O-N 3.49Å; L18-K22 WeakPolarHBondContact O-CB 3.38Å; L18-K22 VanDerWaalsContact O-CG 3.28Å; L18-K22 WeakPolarHBondContact O-CG 3.49Å; L18-K22 PolarHBondContact O-N 3.5Å |
| 19 | K | 69.7 | Low | 63.7 | Low | 79 Ų | 79 | 55.7 Ų | 55.7 | 34% | 0.343 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.5 | -50.9 | 175.3 | -76.3 | -178.9 | -177.4 | 176.4 | 0 | 110.6 | E15 E16 F17 K22 L23 L200 | E15-K19 WeakPolarHBondContact O-CB 3.36Å; E15-K19 VanDerWaalsContact O-CG 3.27Å; E15-K19 WeakPolarHBondContact O-CG 3.17Å; E15-K19 PolarHBondContact O-N 3.29Å; E16-K19 PolarHBondContact O-N 3.49Å; F17-K19 VanDerWaalsContact C-N 3.29Å; F17-K19 PolarHBondContact O-N 3.4Å; K19-K22 PolarHBondContact O-N 2.97Å; K19-L23 PolarHBondContact O-N 3.09Å; K19-L23 VanDerWaalsContact O-N 3.13Å; K19-L200 HydrophobicContact CB-CB 4.28Å; K19-L200 HydrophobicContact CB-CD2 3.78Å; K19-L200 HydrophobicContact CB-CG 4.45Å; K19-L200 HydrophobicContact CD-CB 4.43Å; K19-L200 HydrophobicContact CD-CD2 4.1Å; K19-L200 WeakPolarHBondContact CD-O 3.44Å; K19-L200 HydrophobicContact CG-CD2 3.65Å |
| 20 | Q | 68.3 | Low | 65 | Low | 12 Ų | 12 | 49.7 Ų | 49.7 | 6% | 0.056 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.4 | -39.8 | -179.8 | -64.3 | -167.1 | 7.6 | 0 | 0 | 112.5 | E16 F17 K22 L23 L24 N64 T65 I202 | E16-Q20 WeakPolarHBondContact O-CG 3.41Å; E16-Q20 PolarHBondContact O-N 3.12Å; E16-Q20 VanDerWaalsContact O-N 3.09Å; F17-Q20 PolarHBondContact O-N 2.91Å; Q20-K22 VanDerWaalsContact C-N 3.35Å; Q20-K22 PolarHBondContact O-N 3.26Å; Q20-L23 WeakPolarHBondContact O-CB 3.05Å; Q20-L23 PolarHBondContact O-N 2.97Å; Q20-L24 WeakPolarHBondContact O-CB 3.04Å; Q20-L24 PolarHBondContact O-N 3.49Å; Q20-N64 PolarHBondContact OE1-O 2.98Å; Q20-T65 HydrophobicContact CB-CG2 4.29Å; Q20-T65 WeakPolarHBondContact CB-OG1 3.38Å; Q20-I202 HydrophobicContact CG-CD1 3.97Å; Q20-I202 HydrophobicContact CG-CG1 4.47Å |
| 21 | F | 67.9 | Low | 66.6 | Low | 31 Ų | 31 | 43 Ų | 43 | 14% | 0.136 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.1 | -35.9 | 177.3 | -170.6 | -107.7 | 0 | 0 | 0 | 112.8 | F17 L24 N25 T65 I95 F96 Y99 | F17-F21 HydrophobicContact CE1-CB 4.21Å; F17-F21 HydrophobicContact CE1-CG 4.41Å; F17-F21 HydrophobicContact CZ-CB 4.15Å; F17-F21 HydrophobicContact CZ-CD2 4.17Å; F17-F21 HydrophobicContact CZ-CG 4.16Å; F17-F21 VanDerWaalsContact O-CB 3.32Å; F17-F21 WeakPolarHBondContact O-CB 3.3Å; F17-F21 PolarHBondContact O-N 3.02Å; F21-L24 PolarHBondContact O-N 2.89Å; F21-N25 WeakPolarHBondContact CD1-ND2 3.37Å; F21-N25 WeakPolarHBondContact CE1-ND2 3.15Å; F21-N25 PolarHBondContact O-N 2.95Å; F21-N25 PolarHBondContact O-ND2 2.99Å; F21-T65 HydrophobicContact CB-CG2 4.09Å; F21-T65 HydrophobicContact CD2-CG2 4.27Å; F21-I95 HydrophobicContact CE1-CG2 4.37Å; F21-I95 HydrophobicContact CZ-CG2 3.96Å; F21-F96 AromaticContact CD2-CD2 3.8Å; F21-F96 HydrophobicContact CD2-CD2 3.8Å; F21-F96 HydrophobicContact CD2-CE2 4.2Å; F21-F96 AromaticContact CE2-CD2 3.8Å; F21-F96 HydrophobicContact CE2-CD2 3.8Å; F21-F96 HydrophobicContact CE2-CE2 4.45Å; F21-Y99 HydrophobicContact CE2-CD1 4.27Å; F21-Y99 HydrophobicContact CE2-CD2 4.22Å; F21-Y99 AromaticContact CE2-CG 3.95Å; F21-Y99 HydrophobicContact CE2-CG 3.95Å; F21-Y99 HydrophobicContact CZ-CD2 4.21Å; F21-Y99 HydrophobicContact CZ-CG 4.3Å |
| 22 | K | 70.9 | Confident | 67.6 | Low | 134 Ų | 134 | 43.4 Ų | 43.4 | 58% | 0.583 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -65.2 | -43.5 | 172.4 | -78.3 | 174.7 | -177 | 176.7 | 0 | 111.7 | L18 K19 Q20 L24 N25 I26 | L18-K22 WeakPolarHBondContact O-CB 3.38Å; L18-K22 VanDerWaalsContact O-CG 3.28Å; L18-K22 WeakPolarHBondContact O-CG 3.49Å; L18-K22 PolarHBondContact O-N 3.5Å; K19-K22 PolarHBondContact O-N 2.97Å; Q20-K22 VanDerWaalsContact C-N 3.35Å; Q20-K22 PolarHBondContact O-N 3.26Å; K22-L24 VanDerWaalsContact C-N 3.33Å; K22-N25 PolarHBondContact O-N 3.12Å; K22-I26 WeakPolarHBondContact O-CG1 3.38Å; K22-I26 PolarHBondContact O-N 3.04Å |
| 23 | L | 68.5 | Low | 67.8 | Low | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.8 | -45.6 | 176.2 | 179.8 | 61.5 | 0 | 0 | 0 | 111.1 | K19 Q20 N25 I26 I27 V61 G193 K196 L200 I202 | K19-L23 PolarHBondContact O-N 3.09Å; K19-L23 VanDerWaalsContact O-N 3.13Å; Q20-L23 WeakPolarHBondContact O-CB 3.05Å; Q20-L23 PolarHBondContact O-N 2.97Å; L23-N25 VanDerWaalsContact C-N 3.33Å; L23-N25 PolarHBondContact O-N 3.47Å; L23-I26 WeakPolarHBondContact O-CB 3.42Å; L23-I26 PolarHBondContact O-N 3.48Å; L23-I26 VanDerWaalsContact O-N 3.12Å; L23-I27 HydrophobicContact CD1-CD1 4.17Å; L23-I27 HydrophobicContact CD1-CG1 4.45Å; L23-I27 HydrophobicContact CG-CD1 3.89Å; L23-I27 WeakPolarHBondContact O-CG1 3.48Å; L23-I27 PolarHBondContact O-N 2.82Å; L23-V61 HydrophobicContact CD2-CG1 4.23Å; L23-V61 HydrophobicContact CD2-CG2 4.22Å; L23-V61 HydrophobicContact CG-CG1 4.34Å; L23-G193 WeakPolarHBondContact CD1-O 3.43Å; L23-K196 HydrophobicContact CD1-CB 4.13Å; L23-L200 HydrophobicContact CB-CD1 3.86Å; L23-I202 HydrophobicContact CD2-CD1 3.56Å |
| 24 | L | 69.9 | Low | 67.9 | Low | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.4 | -44.7 | 178.3 | -166.9 | 60.5 | 0 | 0 | 0 | 111.4 | Q20 F21 K22 I26 I27 A28 M58 V61 L62 F96 Y99 | Q20-L24 WeakPolarHBondContact O-CB 3.04Å; Q20-L24 PolarHBondContact O-N 3.49Å; F21-L24 PolarHBondContact O-N 2.89Å; K22-L24 VanDerWaalsContact C-N 3.33Å; L24-I26 VanDerWaalsContact C-N 3.32Å; L24-I26 PolarHBondContact O-N 3.48Å; L24-I27 PolarHBondContact O-N 3.4Å; L24-A28 WeakPolarHBondContact O-CB 3.22Å; L24-A28 PolarHBondContact O-N 2.97Å; L24-M58 HydrophobicContact CD1-CG 3.76Å; L24-M58 WeakPolarHBondContact CD1-O 3.19Å; L24-V61 HydrophobicContact CB-CG1 3.96Å; L24-V61 HydrophobicContact CD1-CB 3.96Å; L24-V61 HydrophobicContact CD1-CG1 3.92Å; L24-V61 HydrophobicContact CG-CG1 4.46Å; L24-L62 HydrophobicContact CD1-CB 3.99Å; L24-L62 HydrophobicContact CD2-CB 4.18Å; L24-L62 HydrophobicContact CD2-CD1 4.39Å; L24-L62 HydrophobicContact CD2-CG 4.26Å; L24-F96 HydrophobicContact CD2-CE2 4.05Å; L24-Y99 HydrophobicContact CD1-CE1 4.47Å; L24-Y99 HydrophobicContact CD2-CD1 4.01Å; L24-Y99 HydrophobicContact CD2-CE1 3.34Å; L24-Y99 HydrophobicContact CG-CE1 3.54Å; L24-Y99 WeakPolarHBondContact CG-OH 3.34Å; L24-Y99 PolarHBondContact O-OH 3.22Å |
| 25 | N | 68 | Low | 67.9 | Low | 64 Ų | 64 | 42.3 Ų | 42.3 | 34% | 0.342 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.4 | -37.4 | 175 | -85.6 | -56.3 | 0 | 0 | 0 | 114 | F21 K22 L23 A29 Y99 | F21-N25 WeakPolarHBondContact CD1-ND2 3.37Å; F21-N25 WeakPolarHBondContact CE1-ND2 3.15Å; F21-N25 PolarHBondContact O-N 2.95Å; F21-N25 PolarHBondContact O-ND2 2.99Å; K22-N25 PolarHBondContact O-N 3.12Å; L23-N25 VanDerWaalsContact C-N 3.33Å; L23-N25 PolarHBondContact O-N 3.47Å; N25-A29 PolarHBondContact O-N 3.37Å; N25-A29 VanDerWaalsContact O-N 3.11Å; N25-Y99 PolarHBondContact N-OH 3.06Å; N25-Y99 WeakPolarHBondContact OD1-CE2 3.46Å |
| 26 | I | 68.3 | Low | 67.9 | Low | 54 Ų | 54 | 42.4 Ų | 42.4 | 28% | 0.277 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66.7 | -52.7 | 177 | -67.1 | 163.7 | 0 | 0 | 0 | 109.5 | K22 L23 L24 A28 A29 E30 K196 | K22-I26 WeakPolarHBondContact O-CG1 3.38Å; K22-I26 PolarHBondContact O-N 3.04Å; L23-I26 WeakPolarHBondContact O-CB 3.42Å; L23-I26 PolarHBondContact O-N 3.48Å; L23-I26 VanDerWaalsContact O-N 3.12Å; L24-I26 VanDerWaalsContact C-N 3.32Å; L24-I26 PolarHBondContact O-N 3.48Å; I26-A28 PolarHBondContact O-N 3.06Å; I26-A29 WeakPolarHBondContact O-CB 3.22Å; I26-A29 PolarHBondContact O-N 3.49Å; I26-A29 VanDerWaalsContact O-N 3.1Å; I26-E30 WeakPolarHBondContact O-CG 3.35Å; I26-E30 PolarHBondContact O-N 3.19Å; I26-K196 HydrophobicContact CD1-CD 3.84Å |
| 27 | I | 65.9 | Low | 67.7 | Low | 5 Ų | 5 | 40.6 Ų | 40.6 | 3% | 0.026 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.4 | -40.1 | -179.7 | -61.5 | 161.8 | 0 | 0 | 0 | 110.8 | L23 L24 E30 F31 L54 Y57 M58 V61 | L23-I27 HydrophobicContact CD1-CD1 4.17Å; L23-I27 HydrophobicContact CD1-CG1 4.45Å; L23-I27 HydrophobicContact CG-CD1 3.89Å; L23-I27 WeakPolarHBondContact O-CG1 3.48Å; L23-I27 PolarHBondContact O-N 2.82Å; L24-I27 PolarHBondContact O-N 3.4Å; I27-E30 PolarHBondContact O-N 3.05Å; I27-F31 PolarHBondContact O-N 2.86Å; I27-L54 HydrophobicContact CG2-CD1 4.28Å; I27-L54 HydrophobicContact CG2-CG 4.14Å; I27-Y57 HydrophobicContact CD1-CD1 3.6Å; I27-Y57 HydrophobicContact CD1-CE1 3.33Å; I27-Y57 HydrophobicContact CG1-CD1 4.14Å; I27-Y57 HydrophobicContact CG1-CE1 3.99Å; I27-Y57 HydrophobicContact CG2-CD1 4.4Å; I27-M58 HydrophobicContact CG2-CB 3.8Å; I27-M58 HydrophobicContact CG2-CG 4.12Å; I27-V61 HydrophobicContact CD1-CB 4.37Å; I27-V61 HydrophobicContact CD1-CG2 3.87Å |
| 28 | A | 67.9 | Low | 67.5 | Low | 3 Ų | 3 | 40.7 Ų | 40.7 | 3% | 0.025 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.7 | -38.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | L24 I26 E30 R32 M58 Y99 H103 | L24-A28 WeakPolarHBondContact O-CB 3.22Å; L24-A28 PolarHBondContact O-N 2.97Å; I26-A28 PolarHBondContact O-N 3.06Å; A28-E30 VanDerWaalsContact C-N 3.27Å; A28-R32 WeakPolarHBondContact O-CG 3.22Å; A28-R32 PolarHBondContact O-N 3.09Å; A28-R32 PolarHBondContact O-NE 3.11Å; A28-M58 HydrophobicContact CB-SD 4.27Å; A28-Y99 HydrophobicContact CB-CE2 4.47Å; A28-Y99 WeakPolarHBondContact CB-OH 3.41Å; A28-H103 WeakPolarHBondContact CB-CE1 3.48Å; A28-H103 WeakPolarHBondContact CB-NE2 3.19Å |
| 29 | A | 65.7 | Low | 66.9 | Low | 30 Ų | 30 | 39.6 Ų | 39.6 | 25% | 0.248 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.5 | -42.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110 | N25 I26 R32 N33 | N25-A29 PolarHBondContact O-N 3.37Å; N25-A29 VanDerWaalsContact O-N 3.11Å; I26-A29 WeakPolarHBondContact O-CB 3.22Å; I26-A29 PolarHBondContact O-N 3.49Å; I26-A29 VanDerWaalsContact O-N 3.1Å; A29-R32 WeakPolarHBondContact O-CB 3.19Å; A29-R32 PolarHBondContact O-N 3.39Å; A29-N33 PolarHBondContact O-N 3.06Å; A29-N33 VanDerWaalsContact O-N 3.14Å |
| 30 | E | 62.7 | Low | 66.6 | Low | 42 Ų | 42 | 39 Ų | 39 | 20% | 0.196 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.3 | -39.8 | 179.7 | -58.5 | -56 | 160.8 | 0 | 0 | 113.2 | I26 I27 A28 R32 N33 V34 L54 L189 | I26-E30 WeakPolarHBondContact O-CG 3.35Å; I26-E30 PolarHBondContact O-N 3.19Å; I27-E30 PolarHBondContact O-N 3.05Å; A28-E30 VanDerWaalsContact C-N 3.27Å; E30-R32 PolarHBondContact O-N 3.24Å; E30-N33 WeakPolarHBondContact O-CB 3.27Å; E30-N33 PolarHBondContact O-N 3.13Å; E30-N33 PolarHBondContact OE2-ND2 3.04Å; E30-N33 VanDerWaalsContact OE2-ND2 3.13Å; E30-V34 WeakPolarHBondContact O-CG2 3.39Å; E30-V34 PolarHBondContact O-N 3.3Å; E30-L54 HydrophobicContact CB-CD2 4.19Å; E30-L189 HydrophobicContact CB-CD1 4.37Å; E30-L189 HydrophobicContact CG-CB 4.48Å; E30-L189 HydrophobicContact CG-CD1 4.07Å; E30-L189 HydrophobicContact CG-CD2 3.61Å; E30-L189 HydrophobicContact CG-CG 4.24Å; E30-L189 VanDerWaalsContact OE1-CD2 3.26Å; E30-L189 WeakPolarHBondContact OE1-CD2 3.46Å; E30-L189 WeakPolarHBondContact OE2-CD1 3.41Å |
| 31 | F | 69 | Low | 65.8 | Low | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.5 | -42.3 | 174.3 | 179.9 | -98.1 | 0 | 0 | 0 | 111.4 | I27 V34 C35 L51 L54 Q55 A106 T110 | I27-F31 PolarHBondContact O-N 2.86Å; F31-V34 PolarHBondContact O-N 3.32Å; F31-C35 WeakPolarHBondContact CE1-SG 3.4Å; F31-C35 VanDerWaalsContact CZ-SG 3.51Å; F31-C35 PolarHBondContact O-N 3.42Å; F31-C35 PolarHBondContact O-SG 3.09Å; F31-L51 HydrophobicContact CD2-CD1 4.32Å; F31-L51 HydrophobicContact CD2-CG 4.33Å; F31-L51 HydrophobicContact CE2-CD1 3.95Å; F31-L51 HydrophobicContact CE2-CD2 4.15Å; F31-L51 HydrophobicContact CE2-CG 3.76Å; F31-L51 HydrophobicContact CZ-CD1 4.49Å; F31-L54 VanDerWaalsContact CA-CD2 3.41Å; F31-L54 HydrophobicContact CB-CD2 3.77Å; F31-L54 HydrophobicContact CD2-CD2 4.28Å; F31-Q55 HydrophobicContact CD2-CB 4.38Å; F31-Q55 HydrophobicContact CE2-CB 3.91Å; F31-Q55 HydrophobicContact CE2-CG 4.36Å; F31-A106 HydrophobicContact CE1-CB 4.43Å; F31-T110 HydrophobicContact CZ-CG2 4.29Å |
| 32 | R | 66.9 | Low | 65.5 | Low | 105 Ų | 105 | 46.5 Ų | 46.5 | 40% | 0.396 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.1 | -41.1 | 175.8 | -69.4 | -178.6 | -68.9 | 170.5 | -0.3 | 112.6 | A28 A29 E30 V34 C35 T36 Y102 | A28-R32 WeakPolarHBondContact O-CG 3.22Å; A28-R32 PolarHBondContact O-N 3.09Å; A28-R32 PolarHBondContact O-NE 3.11Å; A29-R32 WeakPolarHBondContact O-CB 3.19Å; A29-R32 PolarHBondContact O-N 3.39Å; E30-R32 PolarHBondContact O-N 3.24Å; R32-V34 VanDerWaalsContact C-N 3.3Å; R32-V34 PolarHBondContact O-N 3.16Å; R32-C35 PolarHBondContact O-N 2.91Å; R32-T36 PolarHBondContact O-N 2.68Å; R32-Y102 WeakPolarHBondContact CD-OH 3.47Å; R32-Y102 PolarHBondContact NH1-OH 3.04Å |
| 33 | N | 67.2 | Low | 65 | Low | 93 Ų | 93 | 41.9 Ų | 41.9 | 50% | 0.497 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.4 | -38.4 | 177.1 | -67.4 | -22.1 | 0 | 0 | 0 | 111.8 | A29 E30 T36 | A29-N33 PolarHBondContact O-N 3.06Å; A29-N33 VanDerWaalsContact O-N 3.14Å; E30-N33 WeakPolarHBondContact O-CB 3.27Å; E30-N33 PolarHBondContact O-N 3.13Å; E30-N33 PolarHBondContact OE2-ND2 3.04Å; E30-N33 VanDerWaalsContact OE2-ND2 3.13Å; N33-T36 PolarHBondContact O-OG1 3.34Å |
| 34 | V | 65.6 | Low | 64.8 | Low | 8 Ų | 8 | 43.5 Ų | 43.5 | 5% | 0.048 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -73.5 | -36.3 | 176.7 | -176 | 0 | 0 | 0 | 0 | 111 | E30 F31 R32 T36 V37 V47 L51 I186 | E30-V34 WeakPolarHBondContact O-CG2 3.39Å; E30-V34 PolarHBondContact O-N 3.3Å; F31-V34 PolarHBondContact O-N 3.32Å; R32-V34 VanDerWaalsContact C-N 3.3Å; R32-V34 PolarHBondContact O-N 3.16Å; V34-T36 VanDerWaalsContact C-N 3.26Å; V34-T36 PolarHBondContact O-N 3.41Å; V34-V37 WeakPolarHBondContact O-CB 3.17Å; V34-V37 PolarHBondContact O-N 3.22Å; V34-V37 VanDerWaalsContact O-N 3.08Å; V34-V47 HydrophobicContact CG1-CG1 3.9Å; V34-L51 HydrophobicContact CB-CD1 3.91Å; V34-L51 HydrophobicContact CG1-CB 4Å; V34-L51 HydrophobicContact CG1-CD1 3.59Å; V34-L51 HydrophobicContact CG1-CG 4.4Å; V34-I186 HydrophobicContact CG1-CD1 4.34Å; V34-I186 HydrophobicContact CG2-CD1 4.08Å; V34-I186 HydrophobicContact CG2-CG1 3.91Å |
| 35 | C | 68 | Low | 64.4 | Low | 17 Ų | 17 | 46.6 Ų | 46.6 | 12% | 0.115 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.4 | -31.5 | 177.5 | -71.9 | 0 | 0 | 0 | 0 | 113.8 | F31 R32 V37 I38 T110 | F31-C35 WeakPolarHBondContact CE1-SG 3.4Å; F31-C35 VanDerWaalsContact CZ-SG 3.51Å; F31-C35 PolarHBondContact O-N 3.42Å; F31-C35 PolarHBondContact O-SG 3.09Å; R32-C35 PolarHBondContact O-N 2.91Å; C35-V37 PolarHBondContact O-N 2.9Å; C35-I38 PolarHBondContact O-N 3.04Å; C35-T110 PolarHBondContact SG-OG1 3.11Å |
| 36 | T | 67.2 | Low | 64.1 | Low | 107 Ų | 107 | 46.4 Ų | 46.4 | 66% | 0.656 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -15.8 | 178.4 | 57.3 | 0 | 0 | 0 | 0 | 113.1 | R32 N33 V34 | R32-T36 PolarHBondContact O-N 2.68Å; N33-T36 PolarHBondContact O-OG1 3.34Å; V34-T36 VanDerWaalsContact C-N 3.26Å; V34-T36 PolarHBondContact O-N 3.41Å |
| 37 | V | 64.9 | Low | 63.8 | Low | 14 Ų | 14 | 43.9 Ų | 43.9 | 9% | 0.085 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -25 | 178.3 | -172.6 | 0 | 0 | 0 | 0 | 111.4 | V34 C35 G39 T40 L42 V47 L182 | V34-V37 WeakPolarHBondContact O-CB 3.17Å; V34-V37 PolarHBondContact O-N 3.22Å; V34-V37 VanDerWaalsContact O-N 3.08Å; C35-V37 PolarHBondContact O-N 2.9Å; V37-G39 PolarHBondContact O-N 3.35Å; V37-T40 WeakPolarHBondContact O-CB 3.42Å; V37-T40 PolarHBondContact O-N 3.24Å; V37-T40 VanDerWaalsContact O-N 3.13Å; V37-T40 PolarHBondContact O-OG1 3.38Å; V37-L42 HydrophobicContact CG1-CB 3.55Å; V37-V47 HydrophobicContact CB-CG1 4.5Å; V37-V47 HydrophobicContact CG1-CG1 4.33Å; V37-L182 HydrophobicContact CG1-CD2 4.2Å; V37-L182 HydrophobicContact CG2-CD1 4.48Å; V37-L182 HydrophobicContact CG2-CD2 4.24Å |
| 38 | I | 64.9 | Low | 63.8 | Low | 6 Ų | 6 | 44.2 Ų | 44.2 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 131.4 | -178.4 | -54.1 | 178 | 0 | 0 | 0 | 110.2 | C35 T40 L51 T110 L113 I114 | C35-I38 PolarHBondContact O-N 3.04Å; I38-T40 VanDerWaalsContact C-N 3.28Å; I38-T40 PolarHBondContact O-N 3.28Å; I38-L51 HydrophobicContact CD1-CD1 3.88Å; I38-L51 HydrophobicContact CD1-CD2 4Å; I38-T110 HydrophobicContact CD1-CG2 3.61Å; I38-L113 HydrophobicContact CB-CB 4.39Å; I38-L113 HydrophobicContact CG2-CB 3.82Å; I38-I114 HydrophobicContact CD1-CG1 4.4Å; I38-I114 HydrophobicContact CG2-CG1 4.45Å |
| 39 | G | 57.3 | Low | 63.6 | Low | 27 Ų | 27 | 46.5 Ų | 46.5 | 28% | 0.278 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 2.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | V37 D43 F117 | V37-G39 PolarHBondContact O-N 3.35Å; G39-D43 PolarHBondContact N-OD2 3.38Å; G39-F117 VanDerWaalsContact CA-CD2 3.48Å; G39-F117 VanDerWaalsContact CA-CE2 3.44Å |
| 40 | T | 63.3 | Low | 63.5 | Low | 66 Ų | 66 | 45.7 Ų | 45.7 | 41% | 0.405 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -93.4 | 175.4 | 170.2 | 73.3 | 0 | 0 | 0 | 0 | 110.8 | V37 I38 L42 D43 | V37-T40 WeakPolarHBondContact O-CB 3.42Å; V37-T40 PolarHBondContact O-N 3.24Å; V37-T40 VanDerWaalsContact O-N 3.13Å; V37-T40 PolarHBondContact O-OG1 3.38Å; I38-T40 VanDerWaalsContact C-N 3.28Å; I38-T40 PolarHBondContact O-N 3.28Å; T40-L42 PolarHBondContact O-N 2.9Å; T40-L42 PolarHBondContact OG1-N 2.96Å; T40-D43 VanDerWaalsContact O-CB 3.28Å; T40-D43 WeakPolarHBondContact O-CB 3.34Å; T40-D43 PolarHBondContact O-N 3.49Å |
| 41 | E | 52.8 | Low | 63.8 | Low | 144 Ų | 144 | 43.7 Ų | 43.7 | 67% | 0.673 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -15.3 | 175.6 | -53.3 | -178.6 | -169 | 0 | 0 | 113.5 | W174 | E41-W174 VanDerWaalsContact OE2-CH2 3.31Å; E41-W174 WeakPolarHBondContact OE2-CH2 3.32Å |
| 42 | L | 59.8 | Low | 63.7 | Low | 58 Ų | 58 | 44.2 Ų | 44.2 | 30% | 0.304 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -2.3 | 179.1 | -61.2 | 174.3 | 0 | 0 | 0 | 113 | V37 T40 C44 | V37-L42 HydrophobicContact CG1-CB 3.55Å; T40-L42 PolarHBondContact O-N 2.9Å; T40-L42 PolarHBondContact OG1-N 2.96Å; L42-C44 PolarHBondContact O-N 3.04Å |
| 43 | D | 61.5 | Low | 63.6 | Low | 37 Ų | 37 | 42.2 Ų | 42.2 | 20% | 0.198 | 24% | 0.24 | C | C | . | . | trans | -68.8 | 118.7 | 177.3 | -170.1 | -0 | 0 | 0 | 0 | 110.4 | G39 T40 R48 | G39-D43 PolarHBondContact N-OD2 3.38Å; T40-D43 VanDerWaalsContact O-CB 3.28Å; T40-D43 WeakPolarHBondContact O-CB 3.34Å; T40-D43 PolarHBondContact O-N 3.49Å; D43-R48 IonicContact OD1-CZ 3.59Å; D43-R48 IonicContact OD1-NE 2.72Å; D43-R48 PolarHBondContact OD1-NE 3.24Å; D43-R48 IonicContact OD1-NH2 3.66Å; D43-R48 IonicContact OD2-CZ 3.93Å; D43-R48 IonicContact OD2-NE 2.86Å; D43-R48 IonicContact OD2-NH2 3.56Å; D43-R48 PolarHBondContact OD2-NH2 3.01Å | ||
| 44 | C | 63.7 | Low | 63.6 | Low | 33 Ų | 33 | 38.1 Ų | 38.1 | 22% | 0.223 | 22% | 0.218 | C | C | . | . | trans | -142.7 | 161.8 | 176.5 | 70.9 | 0 | 0 | 0 | 0 | 111.3 | L42 L46 V47 R48 N179 | L42-C44 PolarHBondContact O-N 3.04Å; C44-L46 PolarHBondContact O-N 2.88Å; C44-L46 VanDerWaalsContact O-N 3.1Å; C44-V47 WeakPolarHBondContact O-CB 3.35Å; C44-V47 PolarHBondContact O-N 3.14Å; C44-V47 VanDerWaalsContact SG-CG2 3.56Å; C44-R48 PolarHBondContact O-N 3.36Å; C44-R48 VanDerWaalsContact O-N 3.11Å; C44-N179 PolarHBondContact SG-OD1 3.41Å; C44-N179 VanDerWaalsContact SG-OD1 3.34Å | ||
| 45 | T | 62.6 | Low | 63.7 | Low | 65 Ų | 65 | 37.8 Ų | 37.8 | 40% | 0.399 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -53.1 | -35.7 | -178.5 | -45.9 | 0 | 0 | 0 | 0 | 113.1 | R48 T49 L122 | T45-R48 PolarHBondContact O-N 2.71Å; T45-T49 WeakPolarHBondContact O-CB 3.34Å; T45-T49 PolarHBondContact O-N 3.3Å; T45-T49 PolarHBondContact O-OG1 2.66Å; T45-L122 HydrophobicContact CG2-CD1 3.46Å; T45-L122 VanDerWaalsContact CG2-CD1 3.46Å; T45-L122 HydrophobicContact CG2-CG 4.29Å |
| 46 | L | 60.5 | Low | 63.6 | Low | 60 Ų | 60 | 41 Ų | 41 | 31% | 0.314 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -68.5 | -44.4 | 177.8 | 176.5 | 71.4 | 0 | 0 | 0 | 112.2 | C44 R48 T49 N50 Q183 | C44-L46 PolarHBondContact O-N 2.88Å; C44-L46 VanDerWaalsContact O-N 3.1Å; L46-R48 VanDerWaalsContact C-N 3.26Å; L46-R48 PolarHBondContact O-N 3.13Å; L46-T49 PolarHBondContact O-N 3.38Å; L46-N50 WeakPolarHBondContact O-CB 3.35Å; L46-N50 VanDerWaalsContact O-CG 3.3Å; L46-N50 PolarHBondContact O-N 3.07Å; L46-N50 PolarHBondContact O-ND2 3.07Å; L46-Q183 HydrophobicContact CD2-CB 4.21Å; L46-Q183 HydrophobicContact CD2-CG 3.81Å; L46-Q183 VanDerWaalsContact CD2-NE2 3.26Å |
| 47 | V | 61.6 | Low | 63.7 | Low | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.012 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.9 | -41.8 | 175.3 | 169.2 | 0 | 0 | 0 | 0 | 110.1 | V34 V37 C44 N50 L51 L182 | V34-V47 HydrophobicContact CG1-CG1 3.9Å; V37-V47 HydrophobicContact CB-CG1 4.5Å; V37-V47 HydrophobicContact CG1-CG1 4.33Å; C44-V47 WeakPolarHBondContact O-CB 3.35Å; C44-V47 PolarHBondContact O-N 3.14Å; C44-V47 VanDerWaalsContact SG-CG2 3.56Å; V47-N50 PolarHBondContact O-N 2.91Å; V47-L51 VanDerWaalsContact O-CB 3.3Å; V47-L51 WeakPolarHBondContact O-CB 3.4Å; V47-L51 PolarHBondContact O-N 3.34Å; V47-L182 HydrophobicContact CG2-CD2 3.88Å |
| 48 | R | 67.1 | Low | 63.9 | Low | 11 Ų | 11 | 36.4 Ų | 36.4 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67 | -43.5 | 176.9 | -64.9 | 178.7 | 178 | -145.1 | -1.7 | 113.2 | D43 C44 T45 L46 N50 L51 I52 F117 S119 E237 | D43-R48 IonicContact OD1-CZ 3.59Å; D43-R48 IonicContact OD1-NE 2.72Å; D43-R48 PolarHBondContact OD1-NE 3.24Å; D43-R48 IonicContact OD1-NH2 3.66Å; D43-R48 IonicContact OD2-CZ 3.93Å; D43-R48 IonicContact OD2-NE 2.86Å; D43-R48 IonicContact OD2-NH2 3.56Å; D43-R48 PolarHBondContact OD2-NH2 3.01Å; C44-R48 PolarHBondContact O-N 3.36Å; C44-R48 VanDerWaalsContact O-N 3.11Å; T45-R48 PolarHBondContact O-N 2.71Å; L46-R48 VanDerWaalsContact C-N 3.26Å; L46-R48 PolarHBondContact O-N 3.13Å; R48-N50 VanDerWaalsContact C-N 3.3Å; R48-N50 PolarHBondContact O-N 3.32Å; R48-L51 WeakPolarHBondContact O-CB 3.48Å; R48-L51 PolarHBondContact O-N 3.03Å; R48-I52 WeakPolarHBondContact O-CG1 3.43Å; R48-I52 PolarHBondContact O-N 2.96Å; R48-F117 PolarHBondContact NH1-O 3.46Å; R48-F117 PolarHBondContact NH2-O 3.14Å; R48-S119 PolarHBondContact NH1-OG 2.92Å; R48-E237 IonicContact NH1-OE2 3.53Å |
| 49 | T | 63.9 | Low | 64 | Low | 52 Ų | 52 | 37.2 Ų | 37.2 | 32% | 0.319 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -59.6 | -44.3 | 175.7 | -58.9 | 0 | 0 | 0 | 0 | 110.9 | T45 L46 I52 M53 | T45-T49 WeakPolarHBondContact O-CB 3.34Å; T45-T49 PolarHBondContact O-N 3.3Å; T45-T49 PolarHBondContact O-OG1 2.66Å; L46-T49 PolarHBondContact O-N 3.38Å; T49-I52 PolarHBondContact O-N 3.43Å; T49-M53 HydrophobicContact CG2-CE 4.25Å; T49-M53 PolarHBondContact O-N 3.04Å |
| 50 | N | 62.2 | Low | 64.5 | Low | 12 Ų | 12 | 37.5 Ų | 37.5 | 6% | 0.064 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69.1 | -37.4 | 178.2 | -70.9 | -16.4 | 0 | 0 | 0 | 112.4 | L46 V47 R48 I52 M53 L54 I186 | L46-N50 WeakPolarHBondContact O-CB 3.35Å; L46-N50 VanDerWaalsContact O-CG 3.3Å; L46-N50 PolarHBondContact O-N 3.07Å; L46-N50 PolarHBondContact O-ND2 3.07Å; V47-N50 PolarHBondContact O-N 2.91Å; R48-N50 VanDerWaalsContact C-N 3.3Å; R48-N50 PolarHBondContact O-N 3.32Å; N50-I52 VanDerWaalsContact C-N 3.31Å; N50-I52 PolarHBondContact O-N 3.28Å; N50-M53 PolarHBondContact O-N 3.47Å; N50-L54 WeakPolarHBondContact O-CB 3.35Å; N50-L54 PolarHBondContact O-N 3.03Å; N50-I186 HydrophobicContact CB-CG2 3.75Å |
| 51 | L | 69.3 | Low | 64.6 | Low | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.6 | -43.3 | 173.4 | -178.2 | 116.7 | 0 | 0 | 0 | 111.3 | F31 V34 I38 V47 R48 L54 Q55 T110 I114 | F31-L51 HydrophobicContact CD2-CD1 4.32Å; F31-L51 HydrophobicContact CD2-CG 4.33Å; F31-L51 HydrophobicContact CE2-CD1 3.95Å; F31-L51 HydrophobicContact CE2-CD2 4.15Å; F31-L51 HydrophobicContact CE2-CG 3.76Å; F31-L51 HydrophobicContact CZ-CD1 4.49Å; V34-L51 HydrophobicContact CB-CD1 3.91Å; V34-L51 HydrophobicContact CG1-CB 4Å; V34-L51 HydrophobicContact CG1-CD1 3.59Å; V34-L51 HydrophobicContact CG1-CG 4.4Å; I38-L51 HydrophobicContact CD1-CD1 3.88Å; I38-L51 HydrophobicContact CD1-CD2 4Å; V47-L51 VanDerWaalsContact O-CB 3.3Å; V47-L51 WeakPolarHBondContact O-CB 3.4Å; V47-L51 PolarHBondContact O-N 3.34Å; R48-L51 WeakPolarHBondContact O-CB 3.48Å; R48-L51 PolarHBondContact O-N 3.03Å; L51-L54 PolarHBondContact O-N 2.99Å; L51-Q55 WeakPolarHBondContact O-CB 3.22Å; L51-Q55 PolarHBondContact O-N 3.35Å; L51-T110 HydrophobicContact CD1-CG2 4.43Å; L51-T110 HydrophobicContact CD2-CG2 3.48Å; L51-T110 VanDerWaalsContact CD2-CG2 3.48Å; L51-I114 HydrophobicContact CD2-CD1 4.37Å |
| 52 | I | 67.6 | Low | 65.5 | Low | 11 Ų | 11 | 27.8 Ų | 27.8 | 6% | 0.056 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.5 | -42.6 | 174.5 | -67.2 | 165.7 | 0 | 0 | 0 | 111 | R48 T49 N50 Q55 R56 E237 I240 | R48-I52 WeakPolarHBondContact O-CG1 3.43Å; R48-I52 PolarHBondContact O-N 2.96Å; T49-I52 PolarHBondContact O-N 3.43Å; N50-I52 VanDerWaalsContact C-N 3.31Å; N50-I52 PolarHBondContact O-N 3.28Å; I52-Q55 PolarHBondContact O-N 3.4Å; I52-R56 WeakPolarHBondContact O-CG 3.39Å; I52-R56 PolarHBondContact O-N 3.28Å; I52-E237 HydrophobicContact CD1-CB 3.88Å; I52-E237 HydrophobicContact CD1-CG 3.74Å; I52-I240 HydrophobicContact CG2-CD1 4.35Å; I52-I240 HydrophobicContact CG2-CG2 3.9Å |
| 53 | M | 65 | Low | 66 | Low | 64 Ų | 64 | 30.1 Ų | 30.1 | 32% | 0.315 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -61.8 | -44.3 | 176 | -73.4 | -167.6 | -172.8 | 0 | 0 | 112 | T49 N50 Q55 R56 Y57 | T49-M53 HydrophobicContact CG2-CE 4.25Å; T49-M53 PolarHBondContact O-N 3.04Å; N50-M53 PolarHBondContact O-N 3.47Å; M53-Q55 VanDerWaalsContact C-N 3.31Å; M53-Q55 PolarHBondContact O-N 2.68Å; M53-R56 PolarHBondContact O-N 2.94Å; M53-Y57 PolarHBondContact O-N 2.91Å |
| 54 | L | 66.6 | Low | 66.4 | Low | 7 Ų | 7 | 29.8 Ų | 29.8 | 4% | 0.037 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64 | -39.9 | 178.9 | -162.9 | 81.3 | 0 | 0 | 0 | 111.2 | I27 E30 F31 N50 L51 Y57 M58 I190 | I27-L54 HydrophobicContact CG2-CD1 4.28Å; I27-L54 HydrophobicContact CG2-CG 4.14Å; E30-L54 HydrophobicContact CB-CD2 4.19Å; F31-L54 VanDerWaalsContact CA-CD2 3.41Å; F31-L54 HydrophobicContact CB-CD2 3.77Å; F31-L54 HydrophobicContact CD2-CD2 4.28Å; N50-L54 WeakPolarHBondContact O-CB 3.35Å; N50-L54 PolarHBondContact O-N 3.03Å; L51-L54 PolarHBondContact O-N 2.99Å; L54-Y57 PolarHBondContact O-N 3.44Å; L54-M58 WeakPolarHBondContact O-CB 3.42Å; L54-M58 PolarHBondContact O-N 3.49Å; L54-I190 HydrophobicContact CD1-CG1 4.01Å |
| 55 | Q | 68 | Low | 66.7 | Low | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.5 | -47 | 175.7 | -175.9 | 60.2 | 34 | 0 | 0 | 111.7 | F31 L51 I52 M53 Y57 M58 M59 L107 L241 E244 | F31-Q55 HydrophobicContact CD2-CB 4.38Å; F31-Q55 HydrophobicContact CE2-CB 3.91Å; F31-Q55 HydrophobicContact CE2-CG 4.36Å; L51-Q55 WeakPolarHBondContact O-CB 3.22Å; L51-Q55 PolarHBondContact O-N 3.35Å; I52-Q55 PolarHBondContact O-N 3.4Å; M53-Q55 VanDerWaalsContact C-N 3.31Å; M53-Q55 PolarHBondContact O-N 2.68Å; Q55-Y57 VanDerWaalsContact C-N 3.3Å; Q55-Y57 PolarHBondContact O-N 3.02Å; Q55-M58 VanDerWaalsContact NE2-CE 3.34Å; Q55-M58 WeakPolarHBondContact O-CB 3.46Å; Q55-M58 PolarHBondContact O-N 3.03Å; Q55-M59 WeakPolarHBondContact O-CG 3.39Å; Q55-M59 PolarHBondContact O-N 2.82Å; Q55-L107 HydrophobicContact CG-CD1 3.66Å; Q55-L241 HydrophobicContact CG-CD2 4.06Å; Q55-E244 WeakPolarHBondContact CG-OE2 3.47Å |
| 56 | R | 66.8 | Low | 67 | Low | 86 Ų | 86 | 25.9 Ų | 25.9 | 33% | 0.325 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -58.5 | -43.4 | 175.4 | -74.9 | 177.8 | 176 | -158.1 | -2.5 | 112.2 | I52 M53 M58 M59 Y60 E244 | I52-R56 WeakPolarHBondContact O-CG 3.39Å; I52-R56 PolarHBondContact O-N 3.28Å; M53-R56 PolarHBondContact O-N 2.94Å; R56-M58 VanDerWaalsContact C-N 3.34Å; R56-M59 PolarHBondContact O-N 3.2Å; R56-Y60 PolarHBondContact O-N 2.92Å; R56-Y60 VanDerWaalsContact O-N 3.09Å; R56-E244 WeakPolarHBondContact CG-OE1 3.47Å; R56-E244 IonicContact NE-OE1 3.56Å |
| 57 | Y | 67.9 | Low | 67.5 | Low | 22 Ų | 22 | 25.2 Ų | 25.2 | 9% | 0.086 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.2 | -41.5 | 177.5 | -175.6 | -127.8 | 0 | 0 | 0 | 111.7 | I27 M53 L54 Q55 M59 Y60 V61 G193 I207 | I27-Y57 HydrophobicContact CD1-CD1 3.6Å; I27-Y57 HydrophobicContact CD1-CE1 3.33Å; I27-Y57 HydrophobicContact CG1-CD1 4.14Å; I27-Y57 HydrophobicContact CG1-CE1 3.99Å; I27-Y57 HydrophobicContact CG2-CD1 4.4Å; M53-Y57 PolarHBondContact O-N 2.91Å; L54-Y57 PolarHBondContact O-N 3.44Å; Q55-Y57 VanDerWaalsContact C-N 3.3Å; Q55-Y57 PolarHBondContact O-N 3.02Å; Y57-M59 VanDerWaalsContact C-N 3.34Å; Y57-M59 PolarHBondContact O-N 2.94Å; Y57-Y60 HydrophobicContact CD2-CD1 4.49Å; Y57-Y60 HydrophobicContact CE2-CD1 4.41Å; Y57-Y60 PolarHBondContact O-N 3.37Å; Y57-V61 HydrophobicContact CD2-CG2 4.41Å; Y57-V61 HydrophobicContact CE1-CG2 4.45Å; Y57-V61 HydrophobicContact CE2-CG2 4Å; Y57-V61 WeakPolarHBondContact O-CG2 3.42Å; Y57-V61 PolarHBondContact O-N 3.34Å; Y57-G193 PolarHBondContact OH-O 3.37Å; Y57-I207 HydrophobicContact CD2-CG2 4.15Å; Y57-I207 HydrophobicContact CE2-CD1 3.96Å; Y57-I207 HydrophobicContact CE2-CG1 4.07Å; Y57-I207 HydrophobicContact CE2-CG2 3.66Å |
| 58 | M | 69.5 | Low | 67.9 | Low | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.3 | -43.3 | 174.7 | -168.2 | 174.7 | 72.2 | 0 | 0 | 112 | L24 I27 A28 L54 Q55 R56 Y60 V61 L62 H103 | L24-M58 HydrophobicContact CD1-CG 3.76Å; L24-M58 WeakPolarHBondContact CD1-O 3.19Å; I27-M58 HydrophobicContact CG2-CB 3.8Å; I27-M58 HydrophobicContact CG2-CG 4.12Å; A28-M58 HydrophobicContact CB-SD 4.27Å; L54-M58 WeakPolarHBondContact O-CB 3.42Å; L54-M58 PolarHBondContact O-N 3.49Å; Q55-M58 VanDerWaalsContact NE2-CE 3.34Å; Q55-M58 WeakPolarHBondContact O-CB 3.46Å; Q55-M58 PolarHBondContact O-N 3.03Å; R56-M58 VanDerWaalsContact C-N 3.34Å; M58-Y60 VanDerWaalsContact C-N 3.33Å; M58-Y60 PolarHBondContact O-N 3.03Å; M58-V61 PolarHBondContact O-N 2.92Å; M58-L62 VanDerWaalsContact O-CB 3.28Å; M58-L62 WeakPolarHBondContact O-CB 3.43Å; M58-L62 PolarHBondContact O-N 2.91Å; M58-H103 PolarHBondContact SD-CE1 3.03Å; M58-H103 PolarHBondContact SD-NE2 3.17Å |
| 59 | M | 66.5 | Low | 68.1 | Low | 23 Ų | 23 | 26 Ų | 26 | 11% | 0.113 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60 | -42.4 | 176.7 | -72.4 | -55.9 | -56.7 | 0 | 0 | 112.4 | Q55 R56 Y57 L62 H63 E244 T247 L248 | Q55-M59 WeakPolarHBondContact O-CG 3.39Å; Q55-M59 PolarHBondContact O-N 2.82Å; R56-M59 PolarHBondContact O-N 3.2Å; Y57-M59 VanDerWaalsContact C-N 3.34Å; Y57-M59 PolarHBondContact O-N 2.94Å; M59-L62 PolarHBondContact O-N 2.72Å; M59-H63 PolarHBondContact O-N 3.48Å; M59-E244 HydrophobicContact CG-CB 4.26Å; M59-E244 HydrophobicContact CG-CG 4.15Å; M59-T247 HydrophobicContact CE-CG2 3.71Å; M59-L248 HydrophobicContact CE-CD2 3.67Å; M59-L248 HydrophobicContact CE-CG 3.67Å; M59-L248 HydrophobicContact SD-CD1 3.88Å; M59-L248 HydrophobicContact SD-CD2 3.51Å; M59-L248 VanDerWaalsContact SD-CD2 3.51Å; M59-L248 HydrophobicContact SD-CG 3.5Å; M59-L248 VanDerWaalsContact SD-CG 3.5Å |
| 60 | Y | 69 | Low | 68.4 | Low | 34 Ų | 34 | 25 Ų | 25 | 13% | 0.133 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.3 | -48.6 | 176.6 | 170.4 | -98.4 | 0 | 0 | 0 | 112.1 | R56 Y57 M58 L62 H63 N64 Q206 I207 L210 | R56-Y60 PolarHBondContact O-N 2.92Å; R56-Y60 VanDerWaalsContact O-N 3.09Å; Y57-Y60 HydrophobicContact CD2-CD1 4.49Å; Y57-Y60 HydrophobicContact CE2-CD1 4.41Å; Y57-Y60 PolarHBondContact O-N 3.37Å; M58-Y60 VanDerWaalsContact C-N 3.33Å; M58-Y60 PolarHBondContact O-N 3.03Å; Y60-L62 VanDerWaalsContact C-N 3.26Å; Y60-L62 PolarHBondContact O-N 2.87Å; Y60-H63 PolarHBondContact O-N 3.13Å; Y60-N64 WeakPolarHBondContact CE1-ND2 3.42Å; Y60-N64 PolarHBondContact O-N 3.43Å; Y60-N64 VanDerWaalsContact O-N 3.17Å; Y60-N64 PolarHBondContact OH-ND2 3.46Å; Y60-Q206 HydrophobicContact CE2-CB 4.39Å; Y60-Q206 WeakPolarHBondContact OH-CB 3.39Å; Y60-Q206 PolarHBondContact OH-OE1 3.34Å; Y60-I207 HydrophobicContact CD1-CG1 4.24Å; Y60-I207 HydrophobicContact CE1-CD1 4.29Å; Y60-I207 HydrophobicContact CE1-CG1 3.55Å; Y60-L210 HydrophobicContact CD2-CD1 3.29Å; Y60-L210 HydrophobicContact CE2-CD1 3.62Å; Y60-L210 HydrophobicContact CG-CD1 3.89Å |
| 61 | V | 65.5 | Low | 68.8 | Low | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.018 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.2 | -35.3 | 177.9 | 178.7 | 0 | 0 | 0 | 0 | 111 | L23 L24 I27 Y57 M58 N64 T65 | L23-V61 HydrophobicContact CD2-CG1 4.23Å; L23-V61 HydrophobicContact CD2-CG2 4.22Å; L23-V61 HydrophobicContact CG-CG1 4.34Å; L24-V61 HydrophobicContact CB-CG1 3.96Å; L24-V61 HydrophobicContact CD1-CB 3.96Å; L24-V61 HydrophobicContact CD1-CG1 3.92Å; L24-V61 HydrophobicContact CG-CG1 4.46Å; I27-V61 HydrophobicContact CD1-CB 4.37Å; I27-V61 HydrophobicContact CD1-CG2 3.87Å; Y57-V61 HydrophobicContact CD2-CG2 4.41Å; Y57-V61 HydrophobicContact CE1-CG2 4.45Å; Y57-V61 HydrophobicContact CE2-CG2 4Å; Y57-V61 WeakPolarHBondContact O-CG2 3.42Å; Y57-V61 PolarHBondContact O-N 3.34Å; M58-V61 PolarHBondContact O-N 2.92Å; V61-N64 PolarHBondContact O-N 2.96Å; V61-T65 WeakPolarHBondContact O-CB 3.49Å; V61-T65 PolarHBondContact O-N 3.34Å; V61-T65 PolarHBondContact O-OG1 3.24Å |
| 62 | L | 71.7 | Confident | 68.8 | Low | 3 Ų | 3 | 29.6 Ų | 29.6 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.2 | -46.4 | 177.2 | -170.2 | 144.2 | 0 | 0 | 0 | 111.6 | L24 M58 M59 Y60 N64 T65 E66 F96 I100 L248 | L24-L62 HydrophobicContact CD1-CB 3.99Å; L24-L62 HydrophobicContact CD2-CB 4.18Å; L24-L62 HydrophobicContact CD2-CD1 4.39Å; L24-L62 HydrophobicContact CD2-CG 4.26Å; M58-L62 VanDerWaalsContact O-CB 3.28Å; M58-L62 WeakPolarHBondContact O-CB 3.43Å; M58-L62 PolarHBondContact O-N 2.91Å; M59-L62 PolarHBondContact O-N 2.72Å; Y60-L62 VanDerWaalsContact C-N 3.26Å; Y60-L62 PolarHBondContact O-N 2.87Å; L62-N64 VanDerWaalsContact C-N 3.34Å; L62-N64 PolarHBondContact O-N 3.24Å; L62-T65 PolarHBondContact O-N 2.79Å; L62-E66 WeakPolarHBondContact O-CB 3.08Å; L62-E66 PolarHBondContact O-N 3.3Å; L62-F96 HydrophobicContact CG-CZ 4.22Å; L62-I100 HydrophobicContact CD1-CG1 4.13Å; L62-I100 HydrophobicContact CD2-CD1 4.5Å; L62-I100 HydrophobicContact CD2-CG1 4.35Å; L62-L248 HydrophobicContact CD1-CD2 3.58Å; L62-L248 HydrophobicContact CD2-CD2 3.88Å; L62-L248 HydrophobicContact CG-CD2 4.36Å |
| 63 | H | 69.1 | Low | 68.9 | Low | 106 Ų | 106 | 31.4 Ų | 31.4 | 49% | 0.491 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -60.9 | -42.3 | 177.3 | -176.6 | 60.6 | 0 | 0 | 0 | 112.4 | M59 Y60 T65 E66 C67 | M59-H63 PolarHBondContact O-N 3.48Å; Y60-H63 PolarHBondContact O-N 3.13Å; H63-T65 VanDerWaalsContact C-N 3.34Å; H63-T65 PolarHBondContact O-N 2.79Å; H63-E66 IonicContact ND1-OE2 3.94Å; H63-E66 PolarHBondContact O-N 2.69Å; H63-C67 PolarHBondContact O-N 3.4Å; H63-C67 PolarHBondContact O-SG 2.92Å |
| 64 | N | 70.2 | Confident | 69.1 | Low | 31 Ų | 31 | 34.9 Ų | 34.9 | 17% | 0.166 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.3 | -42 | 175.7 | -72.9 | -14.7 | 0 | 0 | 0 | 111.4 | Q20 Y60 V61 L62 E66 C67 Q68 | Q20-N64 PolarHBondContact OE1-O 2.98Å; Y60-N64 WeakPolarHBondContact CE1-ND2 3.42Å; Y60-N64 PolarHBondContact O-N 3.43Å; Y60-N64 VanDerWaalsContact O-N 3.17Å; Y60-N64 PolarHBondContact OH-ND2 3.46Å; V61-N64 PolarHBondContact O-N 2.96Å; L62-N64 VanDerWaalsContact C-N 3.34Å; L62-N64 PolarHBondContact O-N 3.24Å; N64-E66 VanDerWaalsContact C-N 3.34Å; N64-E66 PolarHBondContact O-N 2.98Å; N64-C67 PolarHBondContact O-N 2.98Å; N64-Q68 WeakPolarHBondContact O-CG 3.41Å; N64-Q68 PolarHBondContact O-N 2.94Å |
| 65 | T | 69.5 | Low | 69.2 | Low | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.2 | -40.4 | -179.9 | -50.5 | 0 | 0 | 0 | 0 | 110.8 | F17 Q20 F21 V61 L62 H63 Q68 L69 F96 | F17-T65 HydrophobicContact CD2-CG2 3.77Å; F17-T65 HydrophobicContact CE2-CG2 3.58Å; F17-T65 HydrophobicContact CZ-CG2 4.48Å; Q20-T65 HydrophobicContact CB-CG2 4.29Å; Q20-T65 WeakPolarHBondContact CB-OG1 3.38Å; F21-T65 HydrophobicContact CB-CG2 4.09Å; F21-T65 HydrophobicContact CD2-CG2 4.27Å; V61-T65 WeakPolarHBondContact O-CB 3.49Å; V61-T65 PolarHBondContact O-N 3.34Å; V61-T65 PolarHBondContact O-OG1 3.24Å; L62-T65 PolarHBondContact O-N 2.79Å; H63-T65 VanDerWaalsContact C-N 3.34Å; H63-T65 PolarHBondContact O-N 2.79Å; T65-Q68 PolarHBondContact O-N 3.46Å; T65-L69 WeakPolarHBondContact O-CB 3.4Å; T65-L69 PolarHBondContact O-N 2.63Å; T65-F96 HydrophobicContact CG2-CD2 4.13Å; T65-F96 HydrophobicContact CG2-CE2 3.48Å; T65-F96 VanDerWaalsContact CG2-CE2 3.48Å; T65-F96 HydrophobicContact CG2-CZ 4.13Å |
| 66 | E | 68.6 | Low | 69.1 | Low | 15 Ų | 15 | 37.4 Ų | 37.4 | 7% | 0.07 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.3 | -49.1 | 173.4 | 176.2 | -176.9 | -169.5 | 0 | 0 | 111.4 | L62 H63 N64 Q68 L69 I70 F96 I255 | L62-E66 WeakPolarHBondContact O-CB 3.08Å; L62-E66 PolarHBondContact O-N 3.3Å; H63-E66 IonicContact ND1-OE2 3.94Å; H63-E66 PolarHBondContact O-N 2.69Å; N64-E66 VanDerWaalsContact C-N 3.34Å; N64-E66 PolarHBondContact O-N 2.98Å; E66-Q68 VanDerWaalsContact C-N 3.29Å; E66-Q68 PolarHBondContact O-N 3.34Å; E66-L69 WeakPolarHBondContact O-CB 3.43Å; E66-L69 PolarHBondContact O-N 2.77Å; E66-L69 VanDerWaalsContact O-N 3.15Å; E66-I70 HydrophobicContact CG-CD1 3.93Å; E66-I70 WeakPolarHBondContact O-CG1 3.26Å; E66-I70 PolarHBondContact O-N 3Å; E66-F96 HydrophobicContact CB-CE1 3.85Å; E66-F96 HydrophobicContact CB-CZ 4.06Å; E66-F96 HydrophobicContact CG-CE1 4.42Å; E66-I255 HydrophobicContact CB-CD1 4.49Å; E66-I255 HydrophobicContact CG-CD1 3.78Å; E66-I255 HydrophobicContact CG-CG1 4.07Å |
| 67 | C | 71.7 | Confident | 68.9 | Low | 47 Ų | 47 | 36.6 Ų | 36.6 | 32% | 0.318 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -59 | -42 | 178.7 | -71.6 | 0 | 0 | 0 | 0 | 111.8 | H63 N64 K71 | H63-C67 PolarHBondContact O-N 3.4Å; H63-C67 PolarHBondContact O-SG 2.92Å; N64-C67 PolarHBondContact O-N 2.98Å; C67-K71 WeakPolarHBondContact O-CG 3.43Å; C67-K71 PolarHBondContact O-N 3.13Å; C67-K71 VanDerWaalsContact O-N 3.09Å |
| 68 | Q | 69.9 | Low | 69 | Low | 28 Ų | 28 | 41.6 Ų | 41.6 | 13% | 0.131 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.1 | -38.2 | 177.1 | -65.2 | -61.7 | 2.1 | 0 | 0 | 112.3 | E16 F17 N64 T65 E66 K71 C72 | E16-Q68 HydrophobicContact CG-CG 4.3Å; F17-Q68 HydrophobicContact CB-CB 4.29Å; N64-Q68 WeakPolarHBondContact O-CG 3.41Å; N64-Q68 PolarHBondContact O-N 2.94Å; T65-Q68 PolarHBondContact O-N 3.46Å; E66-Q68 VanDerWaalsContact C-N 3.29Å; E66-Q68 PolarHBondContact O-N 3.34Å; Q68-K71 PolarHBondContact O-N 3.35Å; Q68-C72 VanDerWaalsContact O-CB 3.29Å; Q68-C72 WeakPolarHBondContact O-CB 3.49Å; Q68-C72 PolarHBondContact O-N 3.15Å |
| 69 | L | 71.3 | Confident | 68.3 | Low | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.7 | -46.9 | 175.3 | -179.3 | 64.8 | 0 | 0 | 0 | 111.5 | F17 T65 E66 K71 C72 W73 L92 F93 F96 | F17-L69 HydrophobicContact CD2-CB 3.75Å; F17-L69 HydrophobicContact CD2-CD1 4.13Å; F17-L69 HydrophobicContact CD2-CG 4.48Å; F17-L69 HydrophobicContact CE2-CB 3.71Å; F17-L69 HydrophobicContact CE2-CD1 3.73Å; F17-L69 HydrophobicContact CE2-CD2 4.3Å; F17-L69 HydrophobicContact CE2-CG 4.1Å; F17-L69 HydrophobicContact CZ-CD1 4.04Å; T65-L69 WeakPolarHBondContact O-CB 3.4Å; T65-L69 PolarHBondContact O-N 2.63Å; E66-L69 WeakPolarHBondContact O-CB 3.43Å; E66-L69 PolarHBondContact O-N 2.77Å; E66-L69 VanDerWaalsContact O-N 3.15Å; L69-K71 VanDerWaalsContact C-N 3.33Å; L69-K71 PolarHBondContact O-N 3.49Å; L69-C72 WeakPolarHBondContact O-CB 3.3Å; L69-C72 PolarHBondContact O-N 3.1Å; L69-W73 PolarHBondContact O-N 3.04Å; L69-L92 HydrophobicContact CD1-CB 3.92Å; L69-F93 HydrophobicContact CD1-CD2 3.75Å; L69-F93 HydrophobicContact CD1-CE2 3.89Å; L69-F93 HydrophobicContact CD2-CD1 4.34Å; L69-F93 HydrophobicContact CD2-CD2 4.02Å; L69-F93 HydrophobicContact CD2-CE1 4.4Å; L69-F93 HydrophobicContact CD2-CE2 4.02Å; L69-F93 HydrophobicContact CD2-CG 4.18Å; L69-F93 HydrophobicContact CD2-CZ 4.24Å; L69-F93 HydrophobicContact CG-CD2 3.71Å; L69-F93 HydrophobicContact CG-CE2 3.45Å; L69-F93 VanDerWaalsContact CG-CE2 3.45Å; L69-F93 HydrophobicContact CG-CG 4.37Å; L69-F93 HydrophobicContact CG-CZ 3.98Å; L69-F96 HydrophobicContact CD2-CB 3.57Å; L69-F96 HydrophobicContact CD2-CD1 3.48Å; L69-F96 VanDerWaalsContact CD2-CD1 3.48Å; L69-F96 HydrophobicContact CD2-CE1 4.27Å; L69-F96 HydrophobicContact CD2-CG 3.62Å |
| 70 | I | 70.3 | Confident | 68 | Low | 30 Ų | 30 | 47.8 Ų | 47.8 | 15% | 0.154 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.2 | -42.2 | 177.7 | -67.2 | 168.8 | 0 | 0 | 0 | 110.8 | E66 W73 R74 F93 L258 | E66-I70 HydrophobicContact CG-CD1 3.93Å; E66-I70 WeakPolarHBondContact O-CG1 3.26Å; E66-I70 PolarHBondContact O-N 3Å; I70-W73 PolarHBondContact O-N 3.42Å; I70-R74 HydrophobicContact CG2-CG 4.49Å; I70-R74 WeakPolarHBondContact O-CB 3.39Å; I70-R74 WeakPolarHBondContact O-CG 3.34Å; I70-R74 PolarHBondContact O-N 3.12Å; I70-F93 HydrophobicContact CG1-CZ 4.11Å; I70-L258 HydrophobicContact CG2-CD2 4.12Å |
| 71 | K | 71.1 | Confident | 67.3 | Low | 106 Ų | 106 | 51.7 Ų | 51.7 | 46% | 0.461 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.7 | -48.7 | 174.3 | -74.1 | 174.8 | -177.8 | -179.9 | 0 | 111.5 | C67 Q68 L69 W73 R74 N75 | C67-K71 WeakPolarHBondContact O-CG 3.43Å; C67-K71 PolarHBondContact O-N 3.13Å; C67-K71 VanDerWaalsContact O-N 3.09Å; Q68-K71 PolarHBondContact O-N 3.35Å; L69-K71 VanDerWaalsContact C-N 3.33Å; L69-K71 PolarHBondContact O-N 3.49Å; K71-W73 VanDerWaalsContact C-N 3.32Å; K71-W73 PolarHBondContact O-N 3.46Å; K71-R74 PolarHBondContact O-N 2.95Å; K71-N75 WeakPolarHBondContact O-CB 3.47Å; K71-N75 VanDerWaalsContact O-CG 3.26Å; K71-N75 PolarHBondContact O-N 3.44Å |
| 72 | C | 70 | Confident | 66.9 | Low | 3 Ų | 3 | 53.7 Ų | 53.7 | 2% | 0.02 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59 | -42.3 | -180 | -163.7 | 0 | 0 | 0 | 0 | 112.1 | D13 Q68 L69 T76 I84 | D13-C72 HydrophobicContact CB-CB 4.41Å; Q68-C72 VanDerWaalsContact O-CB 3.29Å; Q68-C72 WeakPolarHBondContact O-CB 3.49Å; Q68-C72 PolarHBondContact O-N 3.15Å; L69-C72 WeakPolarHBondContact O-CB 3.3Å; L69-C72 PolarHBondContact O-N 3.1Å; C72-T76 PolarHBondContact O-N 3.38Å; C72-T76 PolarHBondContact O-OG1 2.78Å; C72-I84 WeakPolarHBondContact SG-CD1 3.43Å |
| 73 | W | 68.1 | Low | 66.5 | Low | 48 Ų | 48 | 59.2 Ų | 59.2 | 18% | 0.182 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -72.2 | -38.9 | 177.6 | -176.7 | 96.2 | 0 | 0 | 0 | 113.6 | L69 I70 K71 N75 T76 N77 D90 F93 L258 V259 | L69-W73 PolarHBondContact O-N 3.04Å; I70-W73 PolarHBondContact O-N 3.42Å; K71-W73 VanDerWaalsContact C-N 3.32Å; K71-W73 PolarHBondContact O-N 3.46Å; W73-N75 VanDerWaalsContact C-N 3.34Å; W73-T76 WeakPolarHBondContact CA-OG1 3.24Å; W73-T76 PolarHBondContact O-OG1 2.71Å; W73-N77 VanDerWaalsContact CD2-ND2 3.26Å; W73-N77 WeakPolarHBondContact CZ2-ND2 3.45Å; W73-N77 PolarHBondContact NE1-ND2 3.35Å; W73-N77 VanDerWaalsContact NE1-ND2 3.13Å; W73-N77 WeakPolarHBondContact O-CB 3.09Å; W73-N77 PolarHBondContact O-N 2.99Å; W73-N77 PolarHBondContact O-ND2 3.25Å; W73-D90 PolarHBondContact NE1-OD1 3.05Å; W73-F93 HydrophobicContact CB-CD2 3.81Å; W73-F93 HydrophobicContact CB-CE2 3.16Å; W73-F93 HydrophobicContact CB-CZ 4.01Å; W73-F93 AromaticContact CD1-CD2 3.54Å; W73-F93 AromaticContact CD1-CE2 3.7Å; W73-F93 HydrophobicContact CD2-CE2 4.31Å; W73-F93 AromaticContact CG-CD2 3.81Å; W73-F93 HydrophobicContact CG-CD2 3.81Å; W73-F93 AromaticContact CG-CE2 3.44Å; W73-F93 HydrophobicContact CG-CE2 3.44Å; W73-F93 VanDerWaalsContact CG-CE2 3.44Å; W73-F93 HydrophobicContact CG-CZ 4.13Å; W73-L258 HydrophobicContact CE3-CD2 3.83Å; W73-L258 HydrophobicContact CZ3-CD2 3.9Å; W73-V259 HydrophobicContact CZ2-CG2 4.3Å |
| 74 | R | 69.8 | Low | 66.3 | Low | 137 Ų | 137 | 54.9 Ų | 54.9 | 52% | 0.517 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.8 | -45 | 172.8 | -77.8 | -179.1 | 177.8 | 176.6 | 2.1 | 111 | I70 K71 N77 I78 | I70-R74 HydrophobicContact CG2-CG 4.49Å; I70-R74 WeakPolarHBondContact O-CB 3.39Å; I70-R74 WeakPolarHBondContact O-CG 3.34Å; I70-R74 PolarHBondContact O-N 3.12Å; K71-R74 PolarHBondContact O-N 2.95Å; R74-N77 PolarHBondContact O-N 2.93Å; R74-I78 HydrophobicContact CB-CD1 4.33Å; R74-I78 VanDerWaalsContact O-CB 3.32Å; R74-I78 WeakPolarHBondContact O-CB 3.27Å; R74-I78 WeakPolarHBondContact O-CD1 3.43Å; R74-I78 WeakPolarHBondContact O-CG1 3.37Å; R74-I78 PolarHBondContact O-N 3.27Å |
| 75 | N | 68.7 | Low | 66.2 | Low | 46 Ų | 46 | 57.1 Ų | 57.1 | 25% | 0.246 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.5 | -40.4 | -178 | -70.2 | -12.5 | 0 | 0 | 0 | 111.7 | D13 K71 W73 G79 L80 T82 | D13-N75 PolarHBondContact OD2-ND2 3.42Å; K71-N75 WeakPolarHBondContact O-CB 3.47Å; K71-N75 VanDerWaalsContact O-CG 3.26Å; K71-N75 PolarHBondContact O-N 3.44Å; W73-N75 VanDerWaalsContact C-N 3.34Å; N75-G79 PolarHBondContact O-N 2.92Å; N75-L80 HydrophobicContact CB-CB 4.46Å; N75-L80 WeakPolarHBondContact O-CB 3.17Å; N75-L80 PolarHBondContact O-N 3.44Å; N75-L80 VanDerWaalsContact O-N 3.14Å; N75-T82 HydrophobicContact CB-CG2 3.67Å |
| 76 | T | 64.8 | Low | 66 | Low | 15 Ų | 15 | 60 Ų | 60 | 9% | 0.092 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 174 | 34.5 | 0 | 0 | 0 | 0 | 112.9 | C72 W73 G79 T82 I84 S89 | C72-T76 PolarHBondContact O-N 3.38Å; C72-T76 PolarHBondContact O-OG1 2.78Å; W73-T76 WeakPolarHBondContact CA-OG1 3.24Å; W73-T76 PolarHBondContact O-OG1 2.71Å; T76-G79 PolarHBondContact O-N 3.23Å; T76-T82 HydrophobicContact CG2-CG2 4.13Å; T76-T82 WeakPolarHBondContact CG2-OG1 3.48Å; T76-I84 HydrophobicContact CG2-CD1 3.62Å; T76-I84 HydrophobicContact CG2-CG1 3.49Å; T76-I84 VanDerWaalsContact CG2-CG1 3.49Å; T76-I84 WeakPolarHBondContact CG2-O 3.24Å; T76-S89 WeakPolarHBondContact OG1-CB 3.38Å; T76-S89 PolarHBondContact OG1-OG 3.32Å |
| 77 | N | 64.2 | Low | 65.8 | Low | 69 Ų | 69 | 65.7 Ų | 65.7 | 37% | 0.369 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -83.4 | -18.6 | -174.5 | -73.9 | -32.7 | 0 | 0 | 0 | 114.7 | W73 R74 G79 S86 | W73-N77 VanDerWaalsContact CD2-ND2 3.26Å; W73-N77 WeakPolarHBondContact CZ2-ND2 3.45Å; W73-N77 PolarHBondContact NE1-ND2 3.35Å; W73-N77 VanDerWaalsContact NE1-ND2 3.13Å; W73-N77 WeakPolarHBondContact O-CB 3.09Å; W73-N77 PolarHBondContact O-N 2.99Å; W73-N77 PolarHBondContact O-ND2 3.25Å; R74-N77 PolarHBondContact O-N 2.93Å; N77-G79 VanDerWaalsContact C-N 3.25Å; N77-S86 WeakPolarHBondContact OD1-CB 3.47Å |
| 78 | I | 68.3 | Low | 65.4 | Low | 126 Ų | 126 | 67.6 Ų | 67.6 | 65% | 0.646 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -5.7 | 171.4 | -64 | 166.5 | 0 | 0 | 0 | 111.1 | R74 L80 | R74-I78 HydrophobicContact CB-CD1 4.33Å; R74-I78 VanDerWaalsContact O-CB 3.32Å; R74-I78 WeakPolarHBondContact O-CB 3.27Å; R74-I78 WeakPolarHBondContact O-CD1 3.43Å; R74-I78 WeakPolarHBondContact O-CG1 3.37Å; R74-I78 PolarHBondContact O-N 3.27Å; I78-L80 HydrophobicContact CB-CD1 4.43Å; I78-L80 HydrophobicContact CG2-CD1 4.19Å |
| 79 | G | 55.9 | Low | 65.2 | Low | 68 Ų | 68 | 66.4 Ų | 66.4 | 70% | 0.701 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.6 | 22 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | N75 T76 N77 | N75-G79 PolarHBondContact O-N 2.92Å; T76-G79 PolarHBondContact O-N 3.23Å; N77-G79 VanDerWaalsContact C-N 3.25Å |
| 80 | L | 59.4 | Low | 64.8 | Low | 87 Ų | 87 | 69.4 Ų | 69.4 | 46% | 0.455 | 38% | 0.379 | S | S | . | . | trans | -69.8 | 147 | 165.6 | -79.8 | 137 | 0 | 0 | 0 | 108.9 | N75 I78 T82 | N75-L80 HydrophobicContact CB-CB 4.46Å; N75-L80 WeakPolarHBondContact O-CB 3.17Å; N75-L80 PolarHBondContact O-N 3.44Å; N75-L80 VanDerWaalsContact O-N 3.14Å; I78-L80 HydrophobicContact CB-CD1 4.43Å; I78-L80 HydrophobicContact CG2-CD1 4.19Å; L80-T82 VanDerWaalsContact C-N 3.33Å; L80-T82 PolarHBondContact O-N 3.15Å; L80-T82 PolarHBondContact O-OG1 3.09Å | ||
| 81 | S | 55.2 | Low | 64.5 | Low | 116 Ų | 116 | 73.2 Ų | 73.2 | 81% | 0.811 | 40% | 0.396 | S | S | * | . | trans | -67.3 | 89.3 | -177.2 | 58.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 82 | T | 57.2 | Low | 64.3 | Low | 44 Ų | 44 | 69.2 Ų | 69.2 | 27% | 0.27 | 38% | 0.379 | S | S | . | . | trans | -102.2 | 151.4 | 174.5 | 50.2 | 0 | 0 | 0 | 0 | 110.5 | N75 T76 L80 I84 | N75-T82 HydrophobicContact CB-CG2 3.67Å; T76-T82 HydrophobicContact CG2-CG2 4.13Å; T76-T82 WeakPolarHBondContact CG2-OG1 3.48Å; L80-T82 VanDerWaalsContact C-N 3.33Å; L80-T82 PolarHBondContact O-N 3.15Å; L80-T82 PolarHBondContact O-OG1 3.09Å; T82-I84 PolarHBondContact O-N 2.92Å; T82-I84 VanDerWaalsContact O-N 3.13Å; T82-I84 PolarHBondContact OG1-O 3.34Å | ||
| 83 | N | 64 | Low | 64.2 | Low | 120 Ų | 120 | 69.2 Ų | 69.2 | 64% | 0.642 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -72.3 | 0.9 | 179.6 | -74.9 | -32.6 | 0 | 0 | 0 | 114.9 | N12 | N12-N83 PolarHBondContact ND2-ND2 2.89Å; N12-N83 PolarHBondContact OD1-ND2 3.17Å |
| 84 | I | 63.2 | Low | 64 | Low | 15 Ų | 15 | 69.6 Ų | 69.6 | 8% | 0.077 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -129 | 152.1 | -175 | 48.9 | 156.5 | 0 | 0 | 0 | 110.8 | Y14 C72 T76 T82 Q88 L92 | Y14-I84 HydrophobicContact CD1-CG2 3.98Å; Y14-I84 HydrophobicContact CD2-CD1 4.14Å; Y14-I84 HydrophobicContact CD2-CG2 3.87Å; Y14-I84 HydrophobicContact CE1-CG2 4.01Å; Y14-I84 HydrophobicContact CE2-CG2 3.95Å; Y14-I84 HydrophobicContact CG-CG2 3.88Å; C72-I84 WeakPolarHBondContact SG-CD1 3.43Å; T76-I84 HydrophobicContact CG2-CD1 3.62Å; T76-I84 HydrophobicContact CG2-CG1 3.49Å; T76-I84 VanDerWaalsContact CG2-CG1 3.49Å; T76-I84 WeakPolarHBondContact CG2-O 3.24Å; T82-I84 PolarHBondContact O-N 2.92Å; T82-I84 VanDerWaalsContact O-N 3.13Å; T82-I84 PolarHBondContact OG1-O 3.34Å; I84-Q88 HydrophobicContact CB-CB 4.21Å; I84-L92 HydrophobicContact CD1-CD1 3.99Å |
| 85 | T | 67.9 | Low | 63.8 | Low | 77 Ų | 77 | 67.4 Ų | 67.4 | 47% | 0.472 | 39% | 0.387 | S | S | . | . | trans | -81.7 | 162.4 | 174.8 | 64.8 | 0 | 0 | 0 | 0 | 111.3 | E87 Q88 S89 | T85-E87 VanDerWaalsContact C-N 3.26Å; T85-E87 PolarHBondContact O-N 3.37Å; T85-Q88 VanDerWaalsContact N-OE1 3.09Å; T85-Q88 WeakPolarHBondContact O-CB 3.44Å; T85-Q88 PolarHBondContact O-N 3.43Å; T85-Q88 VanDerWaalsContact O-N 3.13Å; T85-Q88 WeakPolarHBondContact OG1-CG 3.29Å; T85-Q88 PolarHBondContact OG1-N 3.36Å; T85-S89 PolarHBondContact O-N 3.25Å | ||
| 86 | S | 65.8 | Low | 63.8 | Low | 62 Ų | 62 | 65.3 Ų | 65.3 | 43% | 0.434 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.2 | -36.5 | 174.4 | 57.2 | 0 | 0 | 0 | 0 | 112.6 | N77 Q88 S89 D90 | N77-S86 WeakPolarHBondContact OD1-CB 3.47Å; S86-Q88 VanDerWaalsContact C-N 3.33Å; S86-Q88 PolarHBondContact O-N 2.75Å; S86-S89 PolarHBondContact O-N 2.91Å; S86-S89 PolarHBondContact O-OG 3.17Å; S86-D90 PolarHBondContact O-N 3.08Å |
| 87 | E | 64.4 | Low | 63.8 | Low | 133 Ų | 133 | 65.3 Ų | 65.3 | 62% | 0.621 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -65.8 | -36.8 | 175.9 | -169 | 175.8 | -174.2 | 0 | 0 | 112 | T85 Q91 | T85-E87 VanDerWaalsContact C-N 3.26Å; T85-E87 PolarHBondContact O-N 3.37Å; E87-Q91 WeakPolarHBondContact O-CG 3.49Å; E87-Q91 PolarHBondContact O-N 2.99Å; E87-Q91 VanDerWaalsContact O-N 3.07Å |
| 88 | Q | 64.2 | Low | 63.9 | Low | 88 Ų | 88 | 65.9 Ų | 65.9 | 41% | 0.411 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -69 | -36.9 | 173.7 | -73.3 | 173.1 | -20.4 | 0 | 0 | 111.8 | I84 T85 S86 Q91 L92 | I84-Q88 HydrophobicContact CB-CB 4.21Å; T85-Q88 VanDerWaalsContact N-OE1 3.09Å; T85-Q88 WeakPolarHBondContact O-CB 3.44Å; T85-Q88 PolarHBondContact O-N 3.43Å; T85-Q88 VanDerWaalsContact O-N 3.13Å; T85-Q88 WeakPolarHBondContact OG1-CG 3.29Å; T85-Q88 PolarHBondContact OG1-N 3.36Å; S86-Q88 VanDerWaalsContact C-N 3.33Å; S86-Q88 PolarHBondContact O-N 2.75Å; Q88-Q91 PolarHBondContact O-N 3.13Å; Q88-L92 VanDerWaalsContact O-CG 3.26Å; Q88-L92 WeakPolarHBondContact O-CG 3.33Å; Q88-L92 PolarHBondContact O-N 3.33Å |
| 89 | S | 66.1 | Low | 64 | Low | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.014 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.8 | -37.9 | 176.3 | 70.3 | 0 | 0 | 0 | 0 | 112.1 | T76 T85 S86 L92 F93 | T76-S89 WeakPolarHBondContact OG1-CB 3.38Å; T76-S89 PolarHBondContact OG1-OG 3.32Å; T85-S89 PolarHBondContact O-N 3.25Å; S86-S89 PolarHBondContact O-N 2.91Å; S86-S89 PolarHBondContact O-OG 3.17Å; S89-L92 PolarHBondContact O-N 2.97Å; S89-F93 PolarHBondContact O-N 3.24Å |
| 90 | D | 61.8 | Low | 64.6 | Low | 66 Ų | 66 | 57.7 Ų | 57.7 | 35% | 0.353 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.4 | -38.4 | 173.3 | -71.9 | -20.4 | 0 | 0 | 0 | 112.3 | W73 S86 F93 S94 | W73-D90 PolarHBondContact NE1-OD1 3.05Å; S86-D90 PolarHBondContact O-N 3.08Å; D90-F93 WeakPolarHBondContact O-CB 3.45Å; D90-F93 PolarHBondContact O-N 3.24Å; D90-S94 PolarHBondContact O-N 3.34Å |
| 91 | Q | 65.3 | Low | 64.7 | Low | 110 Ų | 110 | 54.2 Ų | 54.2 | 51% | 0.514 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 173.5 | -74 | 176.4 | 10.6 | 0 | 0 | 112.4 | E87 Q88 F93 S94 I95 | E87-Q91 WeakPolarHBondContact O-CG 3.49Å; E87-Q91 PolarHBondContact O-N 2.99Å; E87-Q91 VanDerWaalsContact O-N 3.07Å; Q88-Q91 PolarHBondContact O-N 3.13Å; Q91-F93 VanDerWaalsContact C-N 3.3Å; Q91-F93 PolarHBondContact O-N 3.04Å; Q91-S94 PolarHBondContact O-N 2.94Å; Q91-I95 VanDerWaalsContact O-CG1 3.3Å; Q91-I95 WeakPolarHBondContact O-CG1 3.45Å; Q91-I95 PolarHBondContact O-N 3.35Å |
| 92 | L | 65.6 | Low | 65.3 | Low | 22 Ų | 22 | 53.5 Ų | 53.5 | 12% | 0.115 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.7 | -40.6 | 175.6 | -68.6 | 164.9 | 0 | 0 | 0 | 111.3 | Y14 F17 L69 I84 Q88 S89 I95 F96 | Y14-L92 HydrophobicContact CD2-CD1 3.79Å; Y14-L92 HydrophobicContact CE2-CD1 3.47Å; Y14-L92 VanDerWaalsContact CE2-CD1 3.47Å; Y14-L92 HydrophobicContact CE2-CD2 4.09Å; Y14-L92 HydrophobicContact CE2-CG 4.41Å; F17-L92 HydrophobicContact CE1-CD2 3.84Å; L69-L92 HydrophobicContact CD1-CB 3.92Å; I84-L92 HydrophobicContact CD1-CD1 3.99Å; Q88-L92 VanDerWaalsContact O-CG 3.26Å; Q88-L92 WeakPolarHBondContact O-CG 3.33Å; Q88-L92 PolarHBondContact O-N 3.33Å; S89-L92 PolarHBondContact O-N 2.97Å; L92-I95 PolarHBondContact O-N 2.94Å; L92-F96 WeakPolarHBondContact O-CB 3.44Å; L92-F96 PolarHBondContact O-N 2.72Å |
| 93 | F | 68.9 | Low | 65.8 | Low | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.009 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.1 | -47.2 | 173.1 | -104.3 | -96.6 | 0 | 0 | 0 | 112.3 | L69 I70 W73 S89 D90 Q91 F96 T97 I255 L258 V259 | L69-F93 HydrophobicContact CD1-CD2 3.75Å; L69-F93 HydrophobicContact CD1-CE2 3.89Å; L69-F93 HydrophobicContact CD2-CD1 4.34Å; L69-F93 HydrophobicContact CD2-CD2 4.02Å; L69-F93 HydrophobicContact CD2-CE1 4.4Å; L69-F93 HydrophobicContact CD2-CE2 4.02Å; L69-F93 HydrophobicContact CD2-CG 4.18Å; L69-F93 HydrophobicContact CD2-CZ 4.24Å; L69-F93 HydrophobicContact CG-CD2 3.71Å; L69-F93 HydrophobicContact CG-CE2 3.45Å; L69-F93 VanDerWaalsContact CG-CE2 3.45Å; L69-F93 HydrophobicContact CG-CG 4.37Å; L69-F93 HydrophobicContact CG-CZ 3.98Å; I70-F93 HydrophobicContact CG1-CZ 4.11Å; W73-F93 HydrophobicContact CB-CD2 3.81Å; W73-F93 HydrophobicContact CB-CE2 3.16Å; W73-F93 HydrophobicContact CB-CZ 4.01Å; W73-F93 AromaticContact CD1-CD2 3.54Å; W73-F93 AromaticContact CD1-CE2 3.7Å; W73-F93 HydrophobicContact CD2-CE2 4.31Å; W73-F93 AromaticContact CG-CD2 3.81Å; W73-F93 HydrophobicContact CG-CD2 3.81Å; W73-F93 AromaticContact CG-CE2 3.44Å; W73-F93 HydrophobicContact CG-CE2 3.44Å; W73-F93 VanDerWaalsContact CG-CE2 3.44Å; W73-F93 HydrophobicContact CG-CZ 4.13Å; S89-F93 PolarHBondContact O-N 3.24Å; D90-F93 WeakPolarHBondContact O-CB 3.45Å; D90-F93 PolarHBondContact O-N 3.24Å; Q91-F93 VanDerWaalsContact C-N 3.3Å; Q91-F93 PolarHBondContact O-N 3.04Å; F93-F96 PolarHBondContact O-N 3.42Å; F93-T97 WeakPolarHBondContact O-CB 3.28Å; F93-T97 PolarHBondContact O-N 2.99Å; F93-T97 PolarHBondContact O-OG1 3.07Å; F93-I255 HydrophobicContact CD1-CG2 3.48Å; F93-I255 VanDerWaalsContact CD1-CG2 3.48Å; F93-I255 HydrophobicContact CE1-CB 4.39Å; F93-I255 HydrophobicContact CE1-CG2 3.59Å; F93-L258 HydrophobicContact CE1-CB 4.37Å; F93-L258 HydrophobicContact CZ-CD2 4.33Å; F93-V259 HydrophobicContact CB-CG2 4.01Å; F93-V259 HydrophobicContact CD1-CB 4.5Å; F93-V259 HydrophobicContact CD1-CG2 3.32Å; F93-V259 HydrophobicContact CD2-CG2 4.33Å; F93-V259 HydrophobicContact CE1-CG2 3.79Å; F93-V259 HydrophobicContact CG-CG2 3.61Å; F93-V259 HydrophobicContact CZ-CG2 4.49Å |
| 94 | S | 63.2 | Low | 65.8 | Low | 57 Ų | 57 | 46.2 Ų | 46.2 | 40% | 0.399 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.4 | -46.2 | 177.1 | -176.4 | 0 | 0 | 0 | 0 | 112.1 | D90 Q91 F96 T97 T98 | D90-S94 PolarHBondContact O-N 3.34Å; Q91-S94 PolarHBondContact O-N 2.94Å; S94-F96 PolarHBondContact O-N 3.02Å; S94-T97 PolarHBondContact O-N 3.18Å; S94-T98 PolarHBondContact O-N 2.71Å; S94-T98 PolarHBondContact O-OG1 3.28Å |
| 95 | I | 65.7 | Low | 65.8 | Low | 91 Ų | 91 | 51.1 Ų | 51.1 | 47% | 0.467 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.3 | -45.8 | 177.8 | -69 | 165.6 | 0 | 0 | 0 | 110.8 | F21 Q91 L92 T98 Y99 | F21-I95 HydrophobicContact CE1-CG2 4.37Å; F21-I95 HydrophobicContact CZ-CG2 3.96Å; Q91-I95 VanDerWaalsContact O-CG1 3.3Å; Q91-I95 WeakPolarHBondContact O-CG1 3.45Å; Q91-I95 PolarHBondContact O-N 3.35Å; L92-I95 PolarHBondContact O-N 2.94Å; I95-T98 PolarHBondContact O-N 3.34Å; I95-Y99 WeakPolarHBondContact O-CB 3.45Å; I95-Y99 PolarHBondContact O-N 2.97Å |
| 96 | F | 68.3 | Low | 65.6 | Low | 1 Ų | 1 | 48.1 Ų | 48.1 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.9 | -38.2 | -179.7 | -169 | -106.1 | 0 | 0 | 0 | 112.4 | F17 F21 L24 L62 T65 E66 L69 L92 F93 S94 Y99 I100 I255 | F17-F96 HydrophobicContact CE2-CD2 4.22Å; F17-F96 HydrophobicContact CZ-CD2 4.46Å; F21-F96 AromaticContact CD2-CD2 3.8Å; F21-F96 HydrophobicContact CD2-CD2 3.8Å; F21-F96 HydrophobicContact CD2-CE2 4.2Å; F21-F96 AromaticContact CE2-CD2 3.8Å; F21-F96 HydrophobicContact CE2-CD2 3.8Å; F21-F96 HydrophobicContact CE2-CE2 4.45Å; L24-F96 HydrophobicContact CD2-CE2 4.05Å; L62-F96 HydrophobicContact CG-CZ 4.22Å; T65-F96 HydrophobicContact CG2-CD2 4.13Å; T65-F96 HydrophobicContact CG2-CE2 3.48Å; T65-F96 VanDerWaalsContact CG2-CE2 3.48Å; T65-F96 HydrophobicContact CG2-CZ 4.13Å; E66-F96 HydrophobicContact CB-CE1 3.85Å; E66-F96 HydrophobicContact CB-CZ 4.06Å; E66-F96 HydrophobicContact CG-CE1 4.42Å; L69-F96 HydrophobicContact CD2-CB 3.57Å; L69-F96 HydrophobicContact CD2-CD1 3.48Å; L69-F96 VanDerWaalsContact CD2-CD1 3.48Å; L69-F96 HydrophobicContact CD2-CE1 4.27Å; L69-F96 HydrophobicContact CD2-CG 3.62Å; L92-F96 WeakPolarHBondContact O-CB 3.44Å; L92-F96 PolarHBondContact O-N 2.72Å; F93-F96 PolarHBondContact O-N 3.42Å; S94-F96 PolarHBondContact O-N 3.02Å; F96-Y99 WeakPolarHBondContact O-CB 3.37Å; F96-Y99 PolarHBondContact O-N 3.03Å; F96-I100 HydrophobicContact CD1-CD1 3.74Å; F96-I100 HydrophobicContact CD1-CG1 4.39Å; F96-I100 HydrophobicContact CE1-CD1 3.49Å; F96-I100 VanDerWaalsContact CE1-CD1 3.49Å; F96-I100 HydrophobicContact CE1-CG1 4.15Å; F96-I100 HydrophobicContact CZ-CD1 4.24Å; F96-I100 HydrophobicContact CZ-CG1 4.48Å; F96-I100 PolarHBondContact O-N 2.96Å; F96-I255 HydrophobicContact CD1-CD1 3.61Å; F96-I255 HydrophobicContact CE1-CD1 3.53Å |
| 97 | T | 66 | Low | 65.7 | Low | 16 Ų | 16 | 45.2 Ų | 45.2 | 10% | 0.098 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.6 | -47.8 | 173.8 | -54.7 | 0 | 0 | 0 | 0 | 110.6 | F93 S94 Y99 I100 E101 L252 | F93-T97 WeakPolarHBondContact O-CB 3.28Å; F93-T97 PolarHBondContact O-N 2.99Å; F93-T97 PolarHBondContact O-OG1 3.07Å; S94-T97 PolarHBondContact O-N 3.18Å; T97-Y99 PolarHBondContact O-N 3.43Å; T97-I100 PolarHBondContact O-N 3.35Å; T97-E101 WeakPolarHBondContact O-CB 3.4Å; T97-E101 WeakPolarHBondContact O-CG 3.37Å; T97-E101 PolarHBondContact O-N 3.43Å; T97-L252 HydrophobicContact CG2-CD1 3.55Å |
| 98 | T | 65.7 | Low | 65.7 | Low | 81 Ų | 81 | 39.6 Ų | 39.6 | 50% | 0.497 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.9 | -32.7 | 177.5 | -40.8 | 0 | 0 | 0 | 0 | 111.8 | S94 I95 E101 Y102 | S94-T98 PolarHBondContact O-N 2.71Å; S94-T98 PolarHBondContact O-OG1 3.28Å; I95-T98 PolarHBondContact O-N 3.34Å; T98-E101 WeakPolarHBondContact O-CB 3.28Å; T98-Y102 WeakPolarHBondContact O-CB 3.43Å; T98-Y102 PolarHBondContact O-N 2.86Å |
| 99 | Y | 69.7 | Low | 65.8 | Low | 21 Ų | 21 | 42.4 Ų | 42.4 | 8% | 0.082 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.9 | -46.4 | 177.1 | -177.6 | -91.8 | 0 | 0 | 0 | 112.8 | F21 L24 N25 A28 I95 F96 T97 E101 Y102 H103 | F21-Y99 HydrophobicContact CE2-CD1 4.27Å; F21-Y99 HydrophobicContact CE2-CD2 4.22Å; F21-Y99 AromaticContact CE2-CG 3.95Å; F21-Y99 HydrophobicContact CE2-CG 3.95Å; F21-Y99 HydrophobicContact CZ-CD2 4.21Å; F21-Y99 HydrophobicContact CZ-CG 4.3Å; L24-Y99 HydrophobicContact CD1-CE1 4.47Å; L24-Y99 HydrophobicContact CD2-CD1 4.01Å; L24-Y99 HydrophobicContact CD2-CE1 3.34Å; L24-Y99 HydrophobicContact CG-CE1 3.54Å; L24-Y99 WeakPolarHBondContact CG-OH 3.34Å; L24-Y99 PolarHBondContact O-OH 3.22Å; N25-Y99 PolarHBondContact N-OH 3.06Å; N25-Y99 WeakPolarHBondContact OD1-CE2 3.46Å; A28-Y99 HydrophobicContact CB-CE2 4.47Å; A28-Y99 WeakPolarHBondContact CB-OH 3.41Å; I95-Y99 WeakPolarHBondContact O-CB 3.45Å; I95-Y99 PolarHBondContact O-N 2.97Å; F96-Y99 WeakPolarHBondContact O-CB 3.37Å; F96-Y99 PolarHBondContact O-N 3.03Å; T97-Y99 PolarHBondContact O-N 3.43Å; Y99-E101 VanDerWaalsContact C-N 3.29Å; Y99-E101 PolarHBondContact O-N 3.49Å; Y99-Y102 WeakPolarHBondContact O-CB 3.46Å; Y99-Y102 PolarHBondContact O-N 2.93Å; Y99-H103 AromaticContact CD1-CD2 3.89Å; Y99-H103 AromaticContact CE1-CD2 3.19Å; Y99-H103 WeakPolarHBondContact CE1-CD2 3.31Å; Y99-H103 AromaticContact CE1-NE2 3.34Å; Y99-H103 VanDerWaalsContact CE1-NE2 3.34Å; Y99-H103 WeakPolarHBondContact CE1-NE2 3.38Å; Y99-H103 AromaticContact CE2-NE2 3.97Å; Y99-H103 AromaticContact CZ-CD2 3.5Å; Y99-H103 VanDerWaalsContact CZ-CD2 3.5Å; Y99-H103 AromaticContact CZ-NE2 3.12Å; Y99-H103 PolarHBondContact O-N 3.44Å; Y99-H103 VanDerWaalsContact O-N 3.11Å; Y99-H103 PolarHBondContact OH-NE2 3.32Å |
| 100 | I | 68.1 | Low | 65.7 | Low | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.5 | -47.1 | 173.5 | -68.8 | 166.1 | 0 | 0 | 0 | 109.8 | L62 F96 T97 Y102 H103 M104 L248 L252 I255 | L62-I100 HydrophobicContact CD1-CG1 4.13Å; L62-I100 HydrophobicContact CD2-CD1 4.5Å; L62-I100 HydrophobicContact CD2-CG1 4.35Å; F96-I100 HydrophobicContact CD1-CD1 3.74Å; F96-I100 HydrophobicContact CD1-CG1 4.39Å; F96-I100 HydrophobicContact CE1-CD1 3.49Å; F96-I100 VanDerWaalsContact CE1-CD1 3.49Å; F96-I100 HydrophobicContact CE1-CG1 4.15Å; F96-I100 HydrophobicContact CZ-CD1 4.24Å; F96-I100 HydrophobicContact CZ-CG1 4.48Å; F96-I100 PolarHBondContact O-N 2.96Å; T97-I100 PolarHBondContact O-N 3.35Å; I100-Y102 VanDerWaalsContact C-N 3.32Å; I100-Y102 PolarHBondContact O-N 3.44Å; I100-H103 WeakPolarHBondContact O-CB 3.5Å; I100-H103 PolarHBondContact O-N 3.44Å; I100-H103 VanDerWaalsContact O-N 3.08Å; I100-M104 HydrophobicContact CG2-CG 4.34Å; I100-M104 HydrophobicContact CG2-SD 4.36Å; I100-M104 WeakPolarHBondContact O-CG 3.34Å; I100-M104 PolarHBondContact O-N 3.01Å; I100-L248 HydrophobicContact CG2-CB 4.45Å; I100-L248 HydrophobicContact CG2-CD2 4.27Å; I100-L252 HydrophobicContact CB-CD1 4.06Å; I100-L252 HydrophobicContact CG2-CB 4.16Å; I100-L252 HydrophobicContact CG2-CD1 3.87Å; I100-I255 HydrophobicContact CD1-CD1 3.49Å; I100-I255 VanDerWaalsContact CD1-CD1 3.49Å |
| 101 | E | 63.4 | Low | 65.9 | Low | 14 Ų | 14 | 39.5 Ų | 39.5 | 7% | 0.065 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -54.3 | -46.8 | 176.8 | -84.9 | -158.9 | 176.4 | 0 | 0 | 112.7 | T97 T98 Y99 H103 M104 R105 L252 I266 | T97-E101 WeakPolarHBondContact O-CB 3.4Å; T97-E101 WeakPolarHBondContact O-CG 3.37Å; T97-E101 PolarHBondContact O-N 3.43Å; T98-E101 WeakPolarHBondContact O-CB 3.28Å; Y99-E101 VanDerWaalsContact C-N 3.29Å; Y99-E101 PolarHBondContact O-N 3.49Å; E101-H103 VanDerWaalsContact C-N 3.29Å; E101-H103 PolarHBondContact O-N 3.29Å; E101-M104 PolarHBondContact O-N 3.02Å; E101-R105 WeakPolarHBondContact O-CG 3.43Å; E101-R105 PolarHBondContact O-N 2.87Å; E101-R105 IonicContact OE2-NH2 3.91Å; E101-L252 HydrophobicContact CG-CD1 4Å; E101-L252 HydrophobicContact CG-CD2 4.27Å; E101-I266 HydrophobicContact CB-CD1 3.47Å; E101-I266 VanDerWaalsContact CB-CD1 3.47Å; E101-I266 HydrophobicContact CB-CG1 4.5Å; E101-I266 HydrophobicContact CG-CD1 3.51Å; E101-I266 HydrophobicContact CG-CG1 4.13Å; E101-I266 WeakPolarHBondContact OE2-CD1 3.42Å |
| 102 | Y | 65.9 | Low | 65.8 | Low | 102 Ų | 102 | 38.2 Ų | 38.2 | 40% | 0.4 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -59.2 | -41.5 | 177 | 177.6 | -92.9 | 0 | 0 | 0 | 111.7 | R32 T98 Y99 I100 R105 A106 | R32-Y102 WeakPolarHBondContact CD-OH 3.47Å; R32-Y102 PolarHBondContact NH1-OH 3.04Å; T98-Y102 WeakPolarHBondContact O-CB 3.43Å; T98-Y102 PolarHBondContact O-N 2.86Å; Y99-Y102 WeakPolarHBondContact O-CB 3.46Å; Y99-Y102 PolarHBondContact O-N 2.93Å; I100-Y102 VanDerWaalsContact C-N 3.32Å; I100-Y102 PolarHBondContact O-N 3.44Å; Y102-R105 PolarHBondContact O-N 3.18Å; Y102-A106 PolarHBondContact O-N 3.04Å; Y102-A106 VanDerWaalsContact O-N 3.11Å |
| 103 | H | 68.4 | Low | 65.7 | Low | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.009 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -70.3 | -40.7 | 179 | -87.6 | -34.3 | 0 | 0 | 0 | 114.5 | A28 M58 Y99 I100 E101 R105 A106 L107 | A28-H103 WeakPolarHBondContact CB-CE1 3.48Å; A28-H103 WeakPolarHBondContact CB-NE2 3.19Å; M58-H103 PolarHBondContact SD-CE1 3.03Å; M58-H103 PolarHBondContact SD-NE2 3.17Å; Y99-H103 AromaticContact CD1-CD2 3.89Å; Y99-H103 AromaticContact CE1-CD2 3.19Å; Y99-H103 WeakPolarHBondContact CE1-CD2 3.31Å; Y99-H103 AromaticContact CE1-NE2 3.34Å; Y99-H103 VanDerWaalsContact CE1-NE2 3.34Å; Y99-H103 WeakPolarHBondContact CE1-NE2 3.38Å; Y99-H103 AromaticContact CE2-NE2 3.97Å; Y99-H103 AromaticContact CZ-CD2 3.5Å; Y99-H103 VanDerWaalsContact CZ-CD2 3.5Å; Y99-H103 AromaticContact CZ-NE2 3.12Å; Y99-H103 PolarHBondContact O-N 3.44Å; Y99-H103 VanDerWaalsContact O-N 3.11Å; Y99-H103 PolarHBondContact OH-NE2 3.32Å; I100-H103 WeakPolarHBondContact O-CB 3.5Å; I100-H103 PolarHBondContact O-N 3.44Å; I100-H103 VanDerWaalsContact O-N 3.08Å; E101-H103 VanDerWaalsContact C-N 3.29Å; E101-H103 PolarHBondContact O-N 3.29Å; H103-R105 PolarHBondContact O-N 3.38Å; H103-A106 PolarHBondContact O-N 3.43Å; H103-A106 VanDerWaalsContact O-N 3.07Å; H103-L107 WeakPolarHBondContact O-CB 3.42Å; H103-L107 PolarHBondContact O-N 3.27Å |
| 104 | M | 63.4 | Low | 65.5 | Low | 9 Ų | 9 | 39.5 Ų | 39.5 | 4% | 0.044 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.5 | -40.2 | 172.9 | -70.5 | -170.1 | 80.4 | 0 | 0 | 111 | I100 E101 L108 Y245 L248 Q249 L252 | I100-M104 HydrophobicContact CG2-CG 4.34Å; I100-M104 HydrophobicContact CG2-SD 4.36Å; I100-M104 WeakPolarHBondContact O-CG 3.34Å; I100-M104 PolarHBondContact O-N 3.01Å; E101-M104 PolarHBondContact O-N 3.02Å; M104-L108 VanDerWaalsContact O-CB 3.31Å; M104-L108 WeakPolarHBondContact O-CB 3.5Å; M104-L108 PolarHBondContact O-N 3.47Å; M104-L108 VanDerWaalsContact O-N 3.11Å; M104-Y245 HydrophobicContact CB-CD2 4.47Å; M104-Y245 HydrophobicContact CB-CE2 3.97Å; M104-Y245 HydrophobicContact CE-CD1 4.04Å; M104-Y245 HydrophobicContact CE-CD2 3.94Å; M104-Y245 HydrophobicContact CE-CE1 3.65Å; M104-Y245 HydrophobicContact CE-CE2 3.56Å; M104-Y245 HydrophobicContact CE-CG 4.18Å; M104-Y245 VanDerWaalsContact CE-CZ 3.41Å; M104-Y245 HydrophobicContact CG-CE2 4.49Å; M104-L248 HydrophobicContact CE-CB 4.23Å; M104-L248 HydrophobicContact CG-CB 3.62Å; M104-L248 HydrophobicContact CG-CD1 3.88Å; M104-L248 HydrophobicContact CG-CG 4.34Å; M104-L248 HydrophobicContact SD-CB 3.97Å; M104-Q249 HydrophobicContact CE-CB 3.63Å; M104-Q249 HydrophobicContact CE-CG 4.16Å; M104-L252 HydrophobicContact SD-CD2 4.44Å |
| 105 | R | 64.6 | Low | 65.4 | Low | 117 Ų | 117 | 39.4 Ų | 39.4 | 44% | 0.442 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -66.4 | -39.8 | 175.5 | -65.5 | 180 | -160 | -167.6 | 7.1 | 112.6 | E101 Y102 H103 K109 I266 | E101-R105 WeakPolarHBondContact O-CG 3.43Å; E101-R105 PolarHBondContact O-N 2.87Å; E101-R105 IonicContact OE2-NH2 3.91Å; Y102-R105 PolarHBondContact O-N 3.18Å; H103-R105 PolarHBondContact O-N 3.38Å; R105-K109 WeakPolarHBondContact O-CG 3.45Å; R105-K109 PolarHBondContact O-N 2.82Å; R105-I266 HydrophobicContact CG-CD1 4.16Å |
| 106 | A | 64.1 | Low | 65 | Low | 15 Ų | 15 | 39.8 Ų | 39.8 | 12% | 0.124 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65 | -49.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111 | F31 Y102 H103 L108 K109 T110 | F31-A106 HydrophobicContact CE1-CB 4.43Å; Y102-A106 PolarHBondContact O-N 3.04Å; Y102-A106 VanDerWaalsContact O-N 3.11Å; H103-A106 PolarHBondContact O-N 3.43Å; H103-A106 VanDerWaalsContact O-N 3.07Å; A106-L108 VanDerWaalsContact C-N 3.25Å; A106-L108 PolarHBondContact O-N 2.94Å; A106-K109 WeakPolarHBondContact O-CB 3.32Å; A106-K109 PolarHBondContact O-N 3.22Å; A106-K109 VanDerWaalsContact O-N 3.1Å; A106-T110 PolarHBondContact O-N 3.1Å; A106-T110 PolarHBondContact O-OG1 3.28Å; A106-T110 VanDerWaalsContact O-OG1 3.06Å |
| 107 | L | 67 | Low | 64.7 | Low | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.4 | -40.3 | 178.5 | -171.9 | 112.4 | 0 | 0 | 0 | 112 | Q55 H103 K109 T110 L111 L241 Y245 | Q55-L107 HydrophobicContact CG-CD1 3.66Å; H103-L107 WeakPolarHBondContact O-CB 3.42Å; H103-L107 PolarHBondContact O-N 3.27Å; L107-K109 VanDerWaalsContact C-N 3.34Å; L107-K109 PolarHBondContact O-N 3.46Å; L107-T110 CarbonylContact O-C 3.6Å; L107-T110 WeakPolarHBondContact O-CA 3.45Å; L107-T110 VanDerWaalsContact O-CB 3.31Å; L107-T110 WeakPolarHBondContact O-CB 3.45Å; L107-T110 PolarHBondContact O-N 3.22Å; L107-T110 VanDerWaalsContact O-N 3.13Å; L107-L111 WeakPolarHBondContact O-CB 3.16Å; L107-L111 PolarHBondContact O-N 2.88Å; L107-L241 HydrophobicContact CD1-CD2 3.9Å; L107-L241 WeakPolarHBondContact CD2-O 3.38Å; L107-Y245 HydrophobicContact CD2-CD2 3.79Å; L107-Y245 HydrophobicContact CD2-CG 4.15Å |
| 108 | L | 65.1 | Low | 64.3 | Low | 15 Ų | 15 | 48.3 Ų | 48.3 | 8% | 0.079 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70.7 | -31.3 | -178.9 | -160.5 | 142.6 | 0 | 0 | 0 | 112.5 | M104 A106 H112 Y245 F269 I273 | M104-L108 VanDerWaalsContact O-CB 3.31Å; M104-L108 WeakPolarHBondContact O-CB 3.5Å; M104-L108 PolarHBondContact O-N 3.47Å; M104-L108 VanDerWaalsContact O-N 3.11Å; A106-L108 VanDerWaalsContact C-N 3.25Å; A106-L108 PolarHBondContact O-N 2.94Å; L108-H112 WeakPolarHBondContact O-CB 3.44Å; L108-H112 PolarHBondContact O-N 3.2Å; L108-Y245 HydrophobicContact CB-CE2 4.21Å; L108-Y245 HydrophobicContact CD1-CD2 4.19Å; L108-Y245 HydrophobicContact CD1-CE2 3.45Å; L108-Y245 VanDerWaalsContact CD1-CE2 3.45Å; L108-Y245 HydrophobicContact CG-CE2 4.43Å; L108-F269 HydrophobicContact CB-CZ 4.2Å; L108-F269 HydrophobicContact CD1-CD1 4.08Å; L108-F269 HydrophobicContact CD1-CE1 3.51Å; L108-F269 HydrophobicContact CD1-CE2 4.01Å; L108-F269 HydrophobicContact CD1-CZ 3.45Å; L108-F269 VanDerWaalsContact CD1-CZ 3.45Å; L108-F269 HydrophobicContact CD2-CD1 4.18Å; L108-F269 HydrophobicContact CD2-CE1 3.16Å; L108-F269 HydrophobicContact CD2-CZ 3.52Å; L108-F269 HydrophobicContact CG-CE1 3.89Å; L108-F269 HydrophobicContact CG-CZ 3.9Å; L108-I273 HydrophobicContact CD2-CD1 3.72Å; L108-I273 HydrophobicContact CD2-CG2 3.92Å; L108-I273 HydrophobicContact CG-CG2 4.43Å |
| 109 | K | 65.1 | Low | 63.5 | Low | 148 Ų | 148 | 46.2 Ų | 46.2 | 64% | 0.643 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -64.6 | -42.4 | 167.4 | -71.1 | 175.8 | 179.6 | -178.9 | 0 | 111.4 | R105 A106 L107 H112 L113 | R105-K109 WeakPolarHBondContact O-CG 3.45Å; R105-K109 PolarHBondContact O-N 2.82Å; A106-K109 WeakPolarHBondContact O-CB 3.32Å; A106-K109 PolarHBondContact O-N 3.22Å; A106-K109 VanDerWaalsContact O-N 3.1Å; L107-K109 VanDerWaalsContact C-N 3.34Å; L107-K109 PolarHBondContact O-N 3.46Å; K109-H112 WeakPolarHBondContact O-CB 3.38Å; K109-H112 PolarHBondContact O-N 3.22Å; K109-L113 PolarHBondContact O-N 3.45Å |
| 110 | T | 64.7 | Low | 61.9 | Low | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.012 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62 | -45.4 | 176.6 | -49.8 | 0 | 0 | 0 | 0 | 111.3 | F31 C35 I38 L51 A106 L107 H112 L113 I114 | F31-T110 HydrophobicContact CZ-CG2 4.29Å; C35-T110 PolarHBondContact SG-OG1 3.11Å; I38-T110 HydrophobicContact CD1-CG2 3.61Å; L51-T110 HydrophobicContact CD1-CG2 4.43Å; L51-T110 HydrophobicContact CD2-CG2 3.48Å; L51-T110 VanDerWaalsContact CD2-CG2 3.48Å; A106-T110 PolarHBondContact O-N 3.1Å; A106-T110 PolarHBondContact O-OG1 3.28Å; A106-T110 VanDerWaalsContact O-OG1 3.06Å; L107-T110 CarbonylContact O-C 3.6Å; L107-T110 WeakPolarHBondContact O-CA 3.45Å; L107-T110 VanDerWaalsContact O-CB 3.31Å; L107-T110 WeakPolarHBondContact O-CB 3.45Å; L107-T110 PolarHBondContact O-N 3.22Å; L107-T110 VanDerWaalsContact O-N 3.13Å; T110-H112 VanDerWaalsContact C-N 3.29Å; T110-H112 PolarHBondContact O-N 3.29Å; T110-L113 WeakPolarHBondContact O-CB 3.45Å; T110-L113 PolarHBondContact O-N 3.07Å; T110-L113 VanDerWaalsContact O-N 3.15Å; T110-I114 HydrophobicContact CG2-CD1 3.85Å; T110-I114 WeakPolarHBondContact O-CG1 3.12Å; T110-I114 PolarHBondContact O-N 3.01Å |
| 111 | L | 65.6 | Low | 60 | Low | 5 Ų | 5 | 59.9 Ų | 59.9 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.9 | -45.2 | 175.9 | -156.3 | 81.7 | 0 | 0 | 0 | 110.3 | L107 L113 I114 T115 I238 L241 K242 L277 | L107-L111 WeakPolarHBondContact O-CB 3.16Å; L107-L111 PolarHBondContact O-N 2.88Å; L111-L113 PolarHBondContact O-N 2.82Å; L111-I114 PolarHBondContact O-N 3.37Å; L111-T115 PolarHBondContact O-N 3.22Å; L111-T115 PolarHBondContact O-OG1 3.3Å; L111-I238 HydrophobicContact CD1-CG2 4.35Å; L111-L241 HydrophobicContact CD1-CB 3.28Å; L111-L241 HydrophobicContact CD1-CD1 3.97Å; L111-L241 HydrophobicContact CD1-CG 4.29Å; L111-K242 HydrophobicContact CD1-CG 4.36Å; L111-K242 HydrophobicContact CD2-CG 4.06Å; L111-L277 HydrophobicContact CD2-CD1 3.39Å; L111-L277 HydrophobicContact CD2-CD2 3.31Å; L111-L277 HydrophobicContact CD2-CG 3.96Å; L111-L277 HydrophobicContact CG-CD2 3.99Å |
| 112 | H | 63.7 | Low | 58.6 | Low | 82 Ų | 82 | 65.6 Ų | 65.6 | 38% | 0.38 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.2 | -45.3 | 175.6 | -174.3 | 49.6 | 0 | 0 | 0 | 112.5 | L108 K109 T110 T115 L116 | L108-H112 WeakPolarHBondContact O-CB 3.44Å; L108-H112 PolarHBondContact O-N 3.2Å; K109-H112 WeakPolarHBondContact O-CB 3.38Å; K109-H112 PolarHBondContact O-N 3.22Å; T110-H112 VanDerWaalsContact C-N 3.29Å; T110-H112 PolarHBondContact O-N 3.29Å; H112-T115 PolarHBondContact O-N 3.34Å; H112-L116 WeakPolarHBondContact NE2-CD1 3.31Å; H112-L116 WeakPolarHBondContact O-CG 3.38Å; H112-L116 PolarHBondContact O-N 3.44Å |
| 113 | L | 63.5 | Low | 56.7 | Low | 48 Ų | 48 | 68.1 Ų | 68.1 | 25% | 0.251 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.9 | -46.1 | 176.5 | -83.2 | 156.3 | 0 | 0 | 0 | 112 | I38 K109 T110 L111 T115 L116 F117 | I38-L113 HydrophobicContact CB-CB 4.39Å; I38-L113 HydrophobicContact CG2-CB 3.82Å; K109-L113 PolarHBondContact O-N 3.45Å; T110-L113 WeakPolarHBondContact O-CB 3.45Å; T110-L113 PolarHBondContact O-N 3.07Å; T110-L113 VanDerWaalsContact O-N 3.15Å; L111-L113 PolarHBondContact O-N 2.82Å; L113-T115 VanDerWaalsContact C-N 3.27Å; L113-T115 PolarHBondContact O-N 2.92Å; L113-L116 PolarHBondContact O-N 2.9Å; L113-F117 HydrophobicContact CD2-CD2 4.41Å; L113-F117 HydrophobicContact CD2-CE2 4.15Å; L113-F117 WeakPolarHBondContact O-CD2 3.48Å; L113-F117 PolarHBondContact O-N 3.46Å |
| 114 | I | 63.7 | Low | 54.6 | Low | 3 Ų | 3 | 70.8 Ų | 70.8 | 2% | 0.015 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.4 | -34.4 | 177.5 | -68.4 | 165.8 | 0 | 0 | 0 | 111.2 | I38 L51 T110 L111 F117 E237 I238 L241 | I38-I114 HydrophobicContact CD1-CG1 4.4Å; I38-I114 HydrophobicContact CG2-CG1 4.45Å; L51-I114 HydrophobicContact CD2-CD1 4.37Å; T110-I114 HydrophobicContact CG2-CD1 3.85Å; T110-I114 WeakPolarHBondContact O-CG1 3.12Å; T110-I114 PolarHBondContact O-N 3.01Å; L111-I114 PolarHBondContact O-N 3.37Å; I114-F117 CarbonylContact O-C 3.56Å; I114-E237 HydrophobicContact CG2-CB 4.44Å; I114-I238 HydrophobicContact CG2-CG1 3.94Å; I114-L241 HydrophobicContact CD1-CD1 3.3Å |
| 115 | T | 62.5 | Low | 52.7 | Low | 55 Ų | 55 | 76.5 Ų | 76.5 | 34% | 0.337 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -69.7 | -36.9 | 175.7 | -38.6 | 0 | 0 | 0 | 0 | 111.7 | L111 H112 L113 | L111-T115 PolarHBondContact O-N 3.22Å; L111-T115 PolarHBondContact O-OG1 3.3Å; H112-T115 PolarHBondContact O-N 3.34Å; L113-T115 VanDerWaalsContact C-N 3.27Å; L113-T115 PolarHBondContact O-N 2.92Å |
| 116 | L | 56 | Low | 51 | Low | 100 Ų | 100 | 79.4 Ų | 79.4 | 52% | 0.524 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -71.5 | -32 | 177.1 | -75.4 | 172.1 | 0 | 0 | 0 | 112.7 | H112 L113 P118 | H112-L116 WeakPolarHBondContact NE2-CD1 3.31Å; H112-L116 WeakPolarHBondContact O-CG 3.38Å; H112-L116 PolarHBondContact O-N 3.44Å; L113-L116 PolarHBondContact O-N 2.9Å; L116-P118 WeakPolarHBondContact O-CD 3Å |
| 117 | F | 62 | Low | 49.2 | Very low | 92 Ų | 92 | 84.1 Ų | 84.1 | 40% | 0.404 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -119.5 | 77.8 | 177.4 | -58.8 | -77.2 | 0 | 0 | 0 | 108.7 | G39 R48 L113 I114 S119 | G39-F117 VanDerWaalsContact CA-CD2 3.48Å; G39-F117 VanDerWaalsContact CA-CE2 3.44Å; R48-F117 PolarHBondContact NH1-O 3.46Å; R48-F117 PolarHBondContact NH2-O 3.14Å; L113-F117 HydrophobicContact CD2-CD2 4.41Å; L113-F117 HydrophobicContact CD2-CE2 4.15Å; L113-F117 WeakPolarHBondContact O-CD2 3.48Å; L113-F117 PolarHBondContact O-N 3.46Å; I114-F117 CarbonylContact O-C 3.56Å; F117-S119 PolarHBondContact O-N 2.77Å |
| 118 | P | 57.6 | Low | 47.2 | Very low | 103 Ų | 103 | 89.4 Ų | 89.4 | 67% | 0.669 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -62 | 129 | 176.7 | -7.9 | 18.2 | 0 | 0 | 0 | 109.4 | L116 | L116-P118 WeakPolarHBondContact O-CD 3Š|
| 119 | S | 49.6 | Very low | 45.4 | Very low | 37 Ų | 37 | 94.6 Ų | 94.6 | 26% | 0.259 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 137.3 | 163.6 | 40.3 | 0 | 0 | 0 | 0 | 106.7 | R48 F117 N121 E237 | R48-S119 PolarHBondContact NH1-OG 2.92Å; F117-S119 PolarHBondContact O-N 2.77Å; S119-N121 PolarHBondContact O-N 3.11Å; S119-E237 VanDerWaalsContact OG-CD 3.31Å; S119-E237 PolarHBondContact OG-OE1 2.93Å; S119-E237 PolarHBondContact OG-OE2 3.26Å |
| 120 | M | 35.2 | Very low | 43.6 | Very low | 185 Ų | 185 | 95.4 Ų | 95.4 | 91% | 0.911 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -52.4 | 122.2 | 167.5 | -86.8 | -164.9 | 168.1 | 0 | 0 | 106.6 | L122 | M120-L122 PolarHBondContact O-N 3.11Š|
| 121 | N | 29.8 | Very low | 41.9 | Very low | 123 Ų | 123 | 102.9 Ų | 102.9 | 66% | 0.658 | 56% | 0.556 | S | S | * | * | trans | -40.3 | 117.4 | 175.8 | -101.4 | -18.9 | 0 | 0 | 0 | 108.7 | S119 Q123 G124 | S119-N121 PolarHBondContact O-N 3.11Å; N121-Q123 HydrophobicContact CB-CB 4.22Å; N121-Q123 PolarHBondContact O-N 2.91Å; N121-G124 PolarHBondContact O-N 2.74Å | ||
| 122 | L | 32.8 | Very low | 40 | Very low | 135 Ų | 135 | 108.9 Ų | 108.9 | 71% | 0.707 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | 3.6 | 168.3 | -98.7 | 155.5 | 0 | 0 | 0 | 112.6 | T45 M120 G124 | T45-L122 HydrophobicContact CG2-CD1 3.46Å; T45-L122 VanDerWaalsContact CG2-CD1 3.46Å; T45-L122 HydrophobicContact CG2-CG 4.29Å; M120-L122 PolarHBondContact O-N 3.11Å; L122-G124 VanDerWaalsContact C-N 3.27Å |
| 123 | Q | 26.3 | Very low | 38.2 | Very low | 155 Ų | 155 | 114.2 Ų | 114.2 | 72% | 0.724 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -2.4 | 165.7 | -133.9 | 95.3 | 22.7 | 0 | 0 | 113.9 | N121 | N121-Q123 HydrophobicContact CB-CB 4.22Å; N121-Q123 PolarHBondContact O-N 2.91Å |
| 124 | G | 23.5 | Very low | 36.6 | Very low | 58 Ų | 58 | 118.3 Ų | 118.3 | 60% | 0.598 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -100.1 | 110 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | N121 L122 | N121-G124 PolarHBondContact O-N 2.74Å; L122-G124 VanDerWaalsContact C-N 3.27Å |
| 125 | N | 24.7 | Very low | 34.8 | Very low | 128 Ų | 128 | 123.3 Ų | 123.3 | 68% | 0.684 | 67% | 0.666 | S | S | * | * | trans | 83.8 | 47.7 | 168.2 | -118.8 | 19.4 | 0 | 0 | 0 | 117.6 | N127 | N125-N127 PolarHBondContact O-N 2.88Å; N125-N127 VanDerWaalsContact OD1-CG 3.3Å; N125-N127 PolarHBondContact OD1-OD1 3.28Å; N125-N127 VanDerWaalsContact OD1-OD1 3.14Å | ||
| 126 | M | 29.3 | Very low | 33.4 | Very low | 178 Ų | 178 | 124.5 Ų | 124.5 | 88% | 0.877 | 68% | 0.677 | S | S | * | * | -66.3 | 80.8 | 127.2 | -73.1 | -93.7 | -163.8 | 0 | 0 | 105.7 | T128 | M126-T128 PolarHBondContact O-N 2.95Š| |||
| 127 | N | 25.3 | Very low | 31.9 | Very low | 115 Ų | 115 | 127.2 Ų | 127.2 | 62% | 0.615 | 69% | 0.692 | S | S | * | * | trans | -57.6 | 96 | 147.3 | -92.3 | -21.9 | 0 | 0 | 0 | 103 | N125 T129 | N125-N127 PolarHBondContact O-N 2.88Å; N125-N127 VanDerWaalsContact OD1-CG 3.3Å; N125-N127 PolarHBondContact OD1-OD1 3.28Å; N125-N127 VanDerWaalsContact OD1-OD1 3.14Å; N127-T129 PolarHBondContact O-N 2.64Å | ||
| 128 | T | 26.1 | Very low | 30.5 | Very low | 111 Ų | 111 | 130.4 Ų | 130.4 | 68% | 0.681 | 71% | 0.713 | S | S | * | * | trans | -45.6 | 92.2 | 146.1 | 49.8 | 0 | 0 | 0 | 0 | 104.2 | M126 H130 | M126-T128 PolarHBondContact O-N 2.95Å; T128-H130 PolarHBondContact O-N 2.87Å | ||
| 129 | T | 26.4 | Very low | 29.1 | Very low | 124 Ų | 124 | 133 Ų | 133 | 76% | 0.761 | 72% | 0.722 | S | S | * | * | trans | -52 | 97.2 | 142.7 | 31.1 | 0 | 0 | 0 | 0 | 102.4 | N127 L131 | N127-T129 PolarHBondContact O-N 2.64Å; T129-L131 PolarHBondContact O-N 3.34Å | ||
| 130 | H | 27.2 | Very low | 28.3 | Very low | 164 Ų | 164 | 137.7 Ų | 137.7 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | trans | -41.1 | 94.8 | 148.2 | -103.1 | -87 | 0 | 0 | 0 | 104.3 | T128 N132 | T128-H130 PolarHBondContact O-N 2.87Å; H130-N132 PolarHBondContact O-N 2.88Å | ||
| 131 | L | 28.7 | Very low | 28 | Very low | 160 Ų | 160 | 135.1 Ų | 135.1 | 84% | 0.838 | 74% | 0.738 | S | S | * | * | trans | -50.5 | 101.6 | 152 | -94.1 | 152.6 | 0 | 0 | 0 | 102.2 | T129 K133 | T129-L131 PolarHBondContact O-N 3.34Å; L131-K133 PolarHBondContact O-N 3.45Å | ||
| 132 | N | 25.3 | Very low | 28.3 | Very low | 131 Ų | 131 | 135.3 Ų | 135.3 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | trans | -47.7 | 114.8 | 172.3 | -91.6 | -22.9 | 0 | 0 | 0 | 105.3 | H130 I134 | H130-N132 PolarHBondContact O-N 2.88Å; N132-I134 HydrophobicContact CB-CG1 4.09Å; N132-I134 PolarHBondContact O-N 3.49Å | ||
| 133 | K | 26.1 | Very low | 28.3 | Very low | 194 Ų | 194 | 137.2 Ų | 137.2 | 84% | 0.843 | 74% | 0.742 | S | S | * | * | trans | -50.9 | 90 | 144.9 | -92.1 | 177.8 | 170 | 175.1 | 0 | 105.4 | L131 S135 | L131-K133 PolarHBondContact O-N 3.45Å; K133-S135 PolarHBondContact O-N 3.25Å; K133-S135 VanDerWaalsContact O-N 3.1Å | ||
| 134 | I | 30 | Very low | 28.5 | Very low | 134 Ų | 134 | 137.2 Ų | 137.2 | 69% | 0.687 | 74% | 0.741 | S | S | * | * | trans | -78.9 | 80.9 | 151.9 | -62 | -178.3 | 0 | 0 | 0 | 104.1 | N132 S136 | N132-I134 HydrophobicContact CB-CG1 4.09Å; N132-I134 PolarHBondContact O-N 3.49Å; I134-S136 WeakPolarHBondContact CG2-OG 3.37Å; I134-S136 PolarHBondContact O-N 3.46Å | ||
| 135 | S | 27.4 | Very low | 28.9 | Very low | 108 Ų | 108 | 141.9 Ų | 141.9 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | trans | -74.8 | 97.8 | 152.5 | 54.3 | 0 | 0 | 0 | 0 | 107.2 | K133 | K133-S135 PolarHBondContact O-N 3.25Å; K133-S135 VanDerWaalsContact O-N 3.1Å | ||
| 136 | S | 31.5 | Very low | 29.1 | Very low | 80 Ų | 80 | 142.3 Ų | 142.3 | 56% | 0.559 | 75% | 0.75 | S | S | * | * | trans | -158.4 | 96.9 | 159.6 | 51.3 | 0 | 0 | 0 | 0 | 104.2 | I134 | I134-S136 WeakPolarHBondContact CG2-OG 3.37Å; I134-S136 PolarHBondContact O-N 3.46Å | ||
| 137 | N | 26.2 | Very low | 29.3 | Very low | 157 Ų | 157 | 143.9 Ų | 143.9 | 84% | 0.84 | 75% | 0.752 | S | S | * | * | 19.4 | 91 | 77.8 | -107.7 | 26.3 | 0 | 0 | 0 | 111.1 | |||||
| 138 | D | 30.9 | Very low | 29.5 | Very low | 158 Ų | 158 | 146.8 Ų | 146.8 | 85% | 0.845 | 76% | 0.762 | S | S | * | * | -157.2 | 117.8 | 122.5 | -85.1 | -27.7 | 0 | 0 | 0 | 109.1 | |||||
| 139 | N | 28.4 | Very low | 29.6 | Very low | 159 Ų | 159 | 150.6 Ų | 150.6 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | trans | -58.6 | 143.1 | 152.7 | -77.5 | -29.4 | 0 | 0 | 0 | 108 | ||||
| 140 | V | 33.3 | Very low | 29.7 | Very low | 134 Ų | 134 | 148.4 Ų | 148.4 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | 174.1 | 134.3 | 123.9 | 155.9 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 141 | D | 29.5 | Very low | 29.7 | Very low | 131 Ų | 131 | 149.5 Ų | 149.5 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | -51.6 | 145.1 | 176.4 | -54.3 | -70.8 | 0 | 0 | 0 | 116 | ||||
| 142 | N | 34.5 | Very low | 29.4 | Very low | 128 Ų | 128 | 150.8 Ų | 150.8 | 68% | 0.684 | 78% | 0.781 | S | S | * | * | 152.6 | 125.6 | 110.7 | -83.7 | -59.1 | 0 | 0 | 0 | 112.8 | |||||
| 143 | K | 33.6 | Very low | 29.5 | Very low | 175 Ų | 175 | 148 Ų | 148 | 76% | 0.761 | 78% | 0.784 | S | S | * | * | trans | 52.5 | 152.6 | 131.8 | -61 | -174.2 | -179.4 | -168.5 | 0 | 120.3 | ||||
| 144 | E | 29.9 | Very low | 29.6 | Very low | 154 Ų | 154 | 149.1 Ų | 149.1 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | cis | 176.6 | 160.7 | -18 | -160.1 | 162.3 | -148.1 | 0 | 0 | 102.4 | ||||
| 145 | E | 32.3 | Very low | 29.4 | Very low | 156 Ų | 156 | 152.6 Ų | 152.6 | 73% | 0.729 | 80% | 0.799 | S | S | * | * | trans | 90.7 | 93.8 | 162.4 | -54.9 | -173 | -178.7 | 0 | 0 | 120.6 | ||||
| 146 | D | 30.3 | Very low | 29.2 | Very low | 137 Ų | 137 | 156.8 Ų | 156.8 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | 71.3 | 113.7 | 108.4 | -56.1 | -16.1 | 0 | 0 | 0 | 121.6 | |||||
| 147 | K | 33.2 | Very low | 28.8 | Very low | 212 Ų | 212 | 161.7 Ų | 161.7 | 92% | 0.922 | 82% | 0.818 | S | S | * | * | -157.7 | 112.5 | 119.5 | -101.3 | 169.2 | -169.6 | -176.8 | 0 | 111.2 | |||||
| 148 | E | 27.8 | Very low | 28.7 | Very low | 176 Ų | 176 | 162.9 Ų | 162.9 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | trans | -55.4 | 160.3 | 160.6 | -60.6 | 169.2 | 139.6 | 0 | 0 | 110.5 | ||||
| 149 | E | 29.6 | Very low | 28.3 | Very low | 191 Ų | 191 | 163.4 Ų | 163.4 | 89% | 0.893 | 82% | 0.818 | S | S | * | * | cis | -156.4 | 153 | 41.9 | -71.3 | 175.2 | 150.8 | 0 | 0 | 111.5 | ||||
| 150 | G | 28.5 | Very low | 28.1 | Very low | 78 Ų | 78 | 164.3 Ų | 164.3 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | 151.7 | 71.8 | 162.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 151 | E | 25.8 | Very low | 27.6 | Very low | 186 Ų | 186 | 165.4 Ų | 165.4 | 87% | 0.869 | 82% | 0.818 | S | S | * | * | trans | -56.8 | 156.9 | 166.6 | -53.5 | 176.6 | 131.4 | 0 | 0 | 111 | ||||
| 152 | E | 24 | Very low | 27.3 | Very low | 188 Ų | 188 | 165.8 Ų | 165.8 | 88% | 0.879 | 82% | 0.82 | S | S | * | * | cis | -157.3 | 157.3 | 32.6 | -69.7 | 177.7 | 135.4 | 0 | 0 | 109.4 | ||||
| 153 | G | 26.6 | Very low | 26.9 | Very low | 73 Ų | 73 | 166.5 Ų | 166.5 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | trans | 136.7 | 82.7 | 151.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | K155 | G153-K155 PolarHBondContact O-N 3.17Š| ||
| 154 | K | 27.5 | Very low | 26.4 | Very low | 217 Ų | 217 | 164.7 Ų | 164.7 | 94% | 0.943 | 82% | 0.822 | S | S | * | * | trans | -58.5 | 119.8 | 159.7 | -78.1 | 176.6 | 176.2 | 173.7 | 0 | 110.1 | ||||
| 155 | K | 27.2 | Very low | 26.1 | Very low | 207 Ų | 207 | 165.2 Ų | 165.2 | 90% | 0.9 | 83% | 0.825 | S | S | * | * | trans | -138 | 121.2 | 155.5 | -95.3 | -175.8 | 176.9 | 178.3 | 0 | 110.5 | G153 | G153-K155 PolarHBondContact O-N 3.17Š| ||
| 156 | F | 22.7 | Very low | 25.8 | Very low | 195 Ų | 195 | 163.6 Ų | 163.6 | 86% | 0.855 | 83% | 0.825 | S | S | * | * | trans | -64.6 | 162.7 | 158.6 | -84.4 | -99.7 | 0 | 0 | 0 | 110.4 | ||||
| 157 | E | 22.9 | Very low | 25.5 | Very low | 183 Ų | 183 | 162 Ų | 162 | 86% | 0.855 | 82% | 0.82 | S | S | * | * | trans | 80.1 | 121.8 | 172.6 | -61.7 | -173.8 | 155.5 | 0 | 0 | 114.7 | ||||
| 158 | K | 24.3 | Very low | 25.1 | Very low | 183 Ų | 183 | 157.9 Ų | 157.9 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | cis | -146.1 | 150.7 | 31.5 | -88 | 159.7 | 177.7 | 169.4 | 0 | 110.2 | E160 | K158-E160 PolarHBondContact O-N 2.79Š| ||
| 159 | D | 23.4 | Very low | 24.9 | Very low | 168 Ų | 168 | 158.1 Ų | 158.1 | 90% | 0.898 | 81% | 0.808 | S | S | * | * | trans | -55.1 | 94 | 153.9 | -69.7 | -48 | 0 | 0 | 0 | 108.4 | L161 | D159-L161 VanDerWaalsContact C-N 3.34Å; D159-L161 PolarHBondContact O-N 3.18Å | ||
| 160 | E | 22.9 | Very low | 24.7 | Very low | 179 Ų | 179 | 154.8 Ų | 154.8 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | trans | -63.8 | 103.2 | 161.5 | -85.5 | -175.8 | 152.9 | 0 | 0 | 106.2 | K158 N162 | K158-E160 PolarHBondContact O-N 2.79Å; E160-N162 VanDerWaalsContact C-N 3.3Å; E160-N162 PolarHBondContact O-N 2.62Å | ||
| 161 | L | 23.7 | Very low | 24.5 | Very low | 157 Ų | 157 | 159.1 Ų | 159.1 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | -42.2 | 103.4 | 156.5 | -84.6 | 158.9 | 0 | 0 | 0 | 107.1 | D159 N163 | D159-L161 VanDerWaalsContact C-N 3.34Å; D159-L161 PolarHBondContact O-N 3.18Å; L161-N163 PolarHBondContact O-N 3.26Å | ||
| 162 | N | 22.8 | Very low | 24.6 | Very low | 139 Ų | 139 | 151.9 Ų | 151.9 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | trans | -62.3 | 94.5 | 176.9 | -155.7 | 5.5 | 0 | 0 | 0 | 106.1 | E160 N164 | E160-N162 VanDerWaalsContact C-N 3.3Å; E160-N162 PolarHBondContact O-N 2.62Å; N162-N164 PolarHBondContact O-N 3.37Å | ||
| 163 | N | 24.8 | Very low | 24.7 | Very low | 143 Ų | 143 | 147.8 Ų | 147.8 | 77% | 0.765 | 76% | 0.763 | S | S | * | * | trans | -61 | 92.5 | 168.2 | -82.5 | -31 | 0 | 0 | 0 | 105.6 | L161 E165 | L161-N163 PolarHBondContact O-N 3.26Å; N163-E165 PolarHBondContact O-N 2.93Å | ||
| 164 | N | 23.9 | Very low | 24.9 | Very low | 137 Ų | 137 | 151.6 Ų | 151.6 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | trans | -64.9 | 82.7 | 159 | -79.3 | -15.3 | 0 | 0 | 0 | 106.5 | N162 V166 | N162-N164 PolarHBondContact O-N 3.37Å; N164-V166 VanDerWaalsContact C-N 3.33Å; N164-V166 PolarHBondContact O-N 3.28Å | ||
| 165 | E | 23.4 | Very low | 25.1 | Very low | 165 Ų | 165 | 143.2 Ų | 143.2 | 77% | 0.771 | 72% | 0.72 | S | S | * | * | trans | -60.2 | 100.4 | 165.3 | -167.7 | 171.3 | -156.4 | 0 | 0 | 105.9 | N163 V167 | N163-E165 PolarHBondContact O-N 2.93Å; E165-V167 HydrophobicContact CG-CG2 4.18Å; E165-V167 PolarHBondContact O-N 3.45Å | ||
| 166 | V | 25.9 | Very low | 25.2 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 73% | 0.733 | 71% | 0.708 | S | S | * | * | trans | -67.1 | 91 | 167.2 | 179.3 | 0 | 0 | 0 | 0 | 105.7 | N164 I168 | N164-V166 VanDerWaalsContact C-N 3.33Å; N164-V166 PolarHBondContact O-N 3.28Å; V166-I168 VanDerWaalsContact C-N 3.26Å; V166-I168 HydrophobicContact CG1-CG1 3.98Å; V166-I168 PolarHBondContact O-N 3.09Å | ||
| 167 | V | 24.6 | Very low | 25.5 | Very low | 103 Ų | 103 | 133.4 Ų | 133.4 | 62% | 0.624 | 70% | 0.696 | S | S | * | * | trans | -68.8 | 89.7 | 171.8 | -178.5 | 0 | 0 | 0 | 0 | 107.1 | E165 Q169 | E165-V167 HydrophobicContact CG-CG2 4.18Å; E165-V167 PolarHBondContact O-N 3.45Å; V167-Q169 VanDerWaalsContact C-N 3.34Å; V167-Q169 HydrophobicContact CG1-CG 4.04Å; V167-Q169 PolarHBondContact O-N 3.35Å; V167-Q169 VanDerWaalsContact O-N 3.09Å | ||
| 168 | I | 24.7 | Very low | 25.9 | Very low | 127 Ų | 127 | 127.2 Ų | 127.2 | 65% | 0.651 | 67% | 0.673 | S | S | * | * | trans | -71.9 | 98.2 | 162.5 | -56.1 | 178.8 | 0 | 0 | 0 | 105.4 | V166 N170 | V166-I168 VanDerWaalsContact C-N 3.26Å; V166-I168 HydrophobicContact CG1-CG1 3.98Å; V166-I168 PolarHBondContact O-N 3.09Å; I168-N170 HydrophobicContact CG2-CB 4.45Å; I168-N170 PolarHBondContact O-N 2.93Å | ||
| 169 | Q | 22.9 | Very low | 26.8 | Very low | 180 Ų | 180 | 119.7 Ų | 119.7 | 84% | 0.841 | 64% | 0.641 | S | S | * | * | trans | -66 | 82.9 | 167.2 | -75.7 | -174.2 | -21.4 | 0 | 0 | 109 | V167 | V167-Q169 VanDerWaalsContact C-N 3.34Å; V167-Q169 HydrophobicContact CG1-CG 4.04Å; V167-Q169 PolarHBondContact O-N 3.35Å; V167-Q169 VanDerWaalsContact O-N 3.09Å | ||
| 170 | N | 25.2 | Very low | 27.7 | Very low | 121 Ų | 121 | 119.1 Ų | 119.1 | 65% | 0.647 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -123.8 | 142.6 | 154.5 | -97.9 | -13.5 | 0 | 0 | 0 | 106.5 | I168 S172 | I168-N170 HydrophobicContact CG2-CB 4.45Å; I168-N170 PolarHBondContact O-N 2.93Å; N170-S172 PolarHBondContact O-N 3.45Å |
| 171 | D | 25.3 | Very low | 28.5 | Very low | 170 Ų | 170 | 116.3 Ų | 116.3 | 91% | 0.909 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -65.1 | 56.5 | 177.1 | -76.3 | -35.4 | 0 | 0 | 0 | 112.2 | ||
| 172 | S | 27 | Very low | 29.5 | Very low | 33 Ų | 33 | 110.9 Ų | 110.9 | 23% | 0.231 | 59% | 0.592 | C | S | . | * | trans | -127.1 | 30.8 | -169.2 | -50.3 | 0 | 0 | 0 | 0 | 111.3 | N170 W174 I175 L176 | N170-S172 PolarHBondContact O-N 3.45Å; S172-W174 PolarHBondContact O-N 2.89Å; S172-W174 VanDerWaalsContact O-N 3.12Å; S172-I175 WeakPolarHBondContact O-CB 3.47Å; S172-I175 PolarHBondContact O-N 3.35Å; S172-L176 PolarHBondContact O-N 3.3Å | ||
| 173 | S | 26.8 | Very low | 30.6 | Very low | 102 Ų | 102 | 107.4 Ų | 107.4 | 71% | 0.713 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -59 | -22.4 | 178.4 | 50.3 | 0 | 0 | 0 | 0 | 113.2 | ||
| 174 | W | 31.4 | Very low | 31.6 | Very low | 153 Ų | 153 | 104.7 Ų | 104.7 | 58% | 0.58 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -78.6 | -24.7 | 172.1 | 64.2 | -85.3 | 0 | 0 | 0 | 113.9 | E41 S172 S178 | E41-W174 VanDerWaalsContact OE2-CH2 3.31Å; E41-W174 WeakPolarHBondContact OE2-CH2 3.32Å; S172-W174 PolarHBondContact O-N 2.89Å; S172-W174 VanDerWaalsContact O-N 3.12Å; W174-S178 PolarHBondContact O-OG 3.06Å |
| 175 | I | 32.3 | Very low | 32.8 | Very low | 41 Ų | 41 | 102.3 Ų | 102.3 | 21% | 0.21 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -77.7 | -32.9 | 177.7 | -56.1 | -175.5 | 0 | 0 | 0 | 110.8 | S172 S178 N179 | S172-I175 WeakPolarHBondContact O-CB 3.47Å; S172-I175 PolarHBondContact O-N 3.35Å; I175-S178 PolarHBondContact O-N 3.18Å; I175-N179 PolarHBondContact O-N 3.39Å |
| 176 | L | 28.4 | Very low | 34 | Very low | 123 Ų | 123 | 94.8 Ų | 94.8 | 64% | 0.644 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.3 | -33.5 | 177.8 | -92.5 | 147.1 | 0 | 0 | 0 | 113.4 | S172 S178 N179 | S172-L176 PolarHBondContact O-N 3.3Å; L176-S178 VanDerWaalsContact C-N 3.34Å; L176-S178 PolarHBondContact O-N 3.37Å; L176-N179 PolarHBondContact O-N 2.96Å |
| 177 | A | 28.2 | Very low | 35.1 | Very low | 74 Ų | 74 | 92.3 Ų | 92.3 | 61% | 0.612 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.4 | -35.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 178 | S | 32.8 | Very low | 36.3 | Very low | 53 Ų | 53 | 90.3 Ų | 90.3 | 37% | 0.371 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -72.8 | -32.3 | 178.4 | -44.9 | 0 | 0 | 0 | 0 | 112.8 | W174 I175 L176 L182 | W174-S178 PolarHBondContact O-OG 3.06Å; I175-S178 PolarHBondContact O-N 3.18Å; L176-S178 VanDerWaalsContact C-N 3.34Å; L176-S178 PolarHBondContact O-N 3.37Å; S178-L182 PolarHBondContact O-N 2.68Å |
| 179 | N | 42.1 | Very low | 37.4 | Very low | 25 Ų | 25 | 86.3 Ų | 86.3 | 13% | 0.134 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -67.6 | -36.1 | -179.7 | -107.3 | -46 | 0 | 0 | 0 | 112.9 | C44 I175 L176 L181 L182 Q183 | C44-N179 PolarHBondContact SG-OD1 3.41Å; C44-N179 VanDerWaalsContact SG-OD1 3.34Å; I175-N179 PolarHBondContact O-N 3.39Å; L176-N179 PolarHBondContact O-N 2.96Å; N179-L181 VanDerWaalsContact C-N 3.35Å; N179-L181 PolarHBondContact O-N 3.17Å; N179-L182 PolarHBondContact O-N 3.48Å; N179-Q183 WeakPolarHBondContact O-CB 2.9Å; N179-Q183 PolarHBondContact O-N 3.15Å |
| 180 | K | 42.5 | Very low | 38.6 | Very low | 156 Ų | 156 | 78.8 Ų | 78.8 | 68% | 0.678 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -63.9 | -40.5 | 179.8 | -130.6 | 173.4 | -172.7 | 173.6 | 0 | 111.7 | T184 | K180-T184 VanDerWaalsContact O-CB 3.29Å; K180-T184 WeakPolarHBondContact O-CB 3.41Å; K180-T184 PolarHBondContact O-N 3.28Å; K180-T184 PolarHBondContact O-OG1 2.8Å |
| 181 | L | 40.7 | Very low | 39.9 | Very low | 120 Ų | 120 | 77.5 Ų | 77.5 | 63% | 0.628 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -67.1 | -43.5 | 177.7 | -163.7 | 82.7 | 0 | 0 | 0 | 111.4 | N179 T184 N185 | N179-L181 VanDerWaalsContact C-N 3.35Å; N179-L181 PolarHBondContact O-N 3.17Å; L181-T184 PolarHBondContact O-N 3.37Å; L181-N185 WeakPolarHBondContact O-CB 3.4Å; L181-N185 PolarHBondContact O-N 2.87Å |
| 182 | L | 44.2 | Very low | 41.1 | Very low | 42 Ų | 42 | 71.8 Ų | 71.8 | 22% | 0.22 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -68 | -41.8 | 179.4 | -145.3 | 107.3 | 0 | 0 | 0 | 111.5 | V37 V47 S178 N179 T184 N185 I186 | V37-L182 HydrophobicContact CG1-CD2 4.2Å; V37-L182 HydrophobicContact CG2-CD1 4.48Å; V37-L182 HydrophobicContact CG2-CD2 4.24Å; V47-L182 HydrophobicContact CG2-CD2 3.88Å; S178-L182 PolarHBondContact O-N 2.68Å; N179-L182 PolarHBondContact O-N 3.48Å; L182-T184 VanDerWaalsContact C-N 3.35Å; L182-N185 PolarHBondContact O-N 2.92Å; L182-I186 HydrophobicContact CD2-CD1 3.66Å; L182-I186 HydrophobicContact CG-CD1 4.23Å; L182-I186 WeakPolarHBondContact O-CB 3.43Å; L182-I186 WeakPolarHBondContact O-CD1 3.44Å; L182-I186 VanDerWaalsContact O-CG1 3.23Å; L182-I186 WeakPolarHBondContact O-CG1 3.36Å; L182-I186 PolarHBondContact O-N 3.13Å |
| 183 | Q | 44.9 | Very low | 41.8 | Very low | 67 Ų | 67 | 70.3 Ų | 70.3 | 31% | 0.313 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.6 | -40.1 | 173.8 | -174.4 | 174 | 10.1 | 0 | 0 | 111.7 | L46 N179 I186 N187 | L46-Q183 HydrophobicContact CD2-CB 4.21Å; L46-Q183 HydrophobicContact CD2-CG 3.81Å; L46-Q183 VanDerWaalsContact CD2-NE2 3.26Å; N179-Q183 WeakPolarHBondContact O-CB 2.9Å; N179-Q183 PolarHBondContact O-N 3.15Å; Q183-I186 PolarHBondContact O-N 3.39Å; Q183-N187 VanDerWaalsContact O-CB 3.26Å; Q183-N187 WeakPolarHBondContact O-CB 3.41Å; Q183-N187 PolarHBondContact O-N 3.06Å |
| 184 | T | 47.3 | Very low | 43 | Very low | 86 Ų | 86 | 66.9 Ų | 66.9 | 53% | 0.528 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.7 | -41.6 | 174.5 | -52 | 0 | 0 | 0 | 0 | 110.6 | K180 L181 L182 S188 | K180-T184 VanDerWaalsContact O-CB 3.29Å; K180-T184 WeakPolarHBondContact O-CB 3.41Å; K180-T184 PolarHBondContact O-N 3.28Å; K180-T184 PolarHBondContact O-OG1 2.8Å; L181-T184 PolarHBondContact O-N 3.37Å; L182-T184 VanDerWaalsContact C-N 3.35Å; T184-S188 WeakPolarHBondContact O-CA 3.46Å; T184-S188 WeakPolarHBondContact O-CB 3.5Å; T184-S188 PolarHBondContact O-N 3.33Å |
| 185 | N | 47.9 | Very low | 43.8 | Very low | 87 Ų | 87 | 63.4 Ų | 63.4 | 47% | 0.465 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.2 | -46.9 | 174.8 | -76.5 | -15.4 | 0 | 0 | 0 | 111.3 | L181 L182 S188 L189 | L181-N185 WeakPolarHBondContact O-CB 3.4Å; L181-N185 PolarHBondContact O-N 2.87Å; L182-N185 PolarHBondContact O-N 2.92Å; N185-S188 CarbonylContact O-C 3.55Å; N185-S188 WeakPolarHBondContact O-CB 3.31Å; N185-S188 PolarHBondContact O-N 3.49Å; N185-L189 VanDerWaalsContact O-CB 3.25Å; N185-L189 WeakPolarHBondContact O-CB 3.3Å; N185-L189 VanDerWaalsContact O-CD1 3.28Å; N185-L189 WeakPolarHBondContact O-CD1 3.41Å; N185-L189 WeakPolarHBondContact O-CG 3.23Å; N185-L189 PolarHBondContact O-N 3.2Å |
| 186 | I | 48.7 | Very low | 44.4 | Very low | 7 Ų | 7 | 65 Ų | 65 | 4% | 0.036 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67.1 | -44.4 | -179.2 | -66.6 | 160.2 | 0 | 0 | 0 | 111.7 | V34 N50 L182 Q183 S188 L189 I190 | V34-I186 HydrophobicContact CG1-CD1 4.34Å; V34-I186 HydrophobicContact CG2-CD1 4.08Å; V34-I186 HydrophobicContact CG2-CG1 3.91Å; N50-I186 HydrophobicContact CB-CG2 3.75Å; L182-I186 HydrophobicContact CD2-CD1 3.66Å; L182-I186 HydrophobicContact CG-CD1 4.23Å; L182-I186 WeakPolarHBondContact O-CB 3.43Å; L182-I186 WeakPolarHBondContact O-CD1 3.44Å; L182-I186 VanDerWaalsContact O-CG1 3.23Å; L182-I186 WeakPolarHBondContact O-CG1 3.36Å; L182-I186 PolarHBondContact O-N 3.13Å; Q183-I186 PolarHBondContact O-N 3.39Å; I186-S188 VanDerWaalsContact C-N 3.35Å; I186-L189 WeakPolarHBondContact O-CB 3.44Å; I186-L189 PolarHBondContact O-N 3.03Å; I186-L189 VanDerWaalsContact O-N 3.12Å; I186-I190 HydrophobicContact CG2-CD1 4.18Å; I186-I190 WeakPolarHBondContact O-CG1 3.46Å; I186-I190 PolarHBondContact O-N 3.09Å |
| 187 | N | 48.3 | Very low | 45.2 | Very low | 68 Ų | 68 | 59.2 Ų | 59.2 | 36% | 0.364 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.9 | -40.1 | 175.1 | -77.1 | -9.4 | 0 | 0 | 0 | 111.3 | Q183 L189 I190 N191 | Q183-N187 VanDerWaalsContact O-CB 3.26Å; Q183-N187 WeakPolarHBondContact O-CB 3.41Å; Q183-N187 PolarHBondContact O-N 3.06Å; N187-L189 PolarHBondContact O-N 3.08Å; N187-I190 PolarHBondContact O-N 3.13Å; N187-N191 VanDerWaalsContact O-CB 3.27Å; N187-N191 WeakPolarHBondContact O-CB 3.4Å; N187-N191 VanDerWaalsContact O-CG 3.27Å; N187-N191 PolarHBondContact O-N 3.28Å; N187-N191 PolarHBondContact O-ND2 2.85Å |
| 188 | S | 49.9 | Very low | 46.2 | Very low | 61 Ų | 61 | 59.2 Ų | 59.2 | 43% | 0.427 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.7 | -38.5 | 170.7 | 176 | 0 | 0 | 0 | 0 | 110.9 | T184 N185 I186 N191 T192 | T184-S188 WeakPolarHBondContact O-CA 3.46Å; T184-S188 WeakPolarHBondContact O-CB 3.5Å; T184-S188 PolarHBondContact O-N 3.33Å; N185-S188 CarbonylContact O-C 3.55Å; N185-S188 WeakPolarHBondContact O-CB 3.31Å; N185-S188 PolarHBondContact O-N 3.49Å; I186-S188 VanDerWaalsContact C-N 3.35Å; S188-N191 CarbonylContact O-C 3.48Å; S188-N191 PolarHBondContact O-N 3.36Å; S188-T192 WeakPolarHBondContact O-CA 3.45Å; S188-T192 VanDerWaalsContact O-CB 3.28Å; S188-T192 WeakPolarHBondContact O-CB 3.38Å; S188-T192 PolarHBondContact O-N 3.29Å; S188-T192 PolarHBondContact O-OG1 2.89Å |
| 189 | L | 48.7 | Very low | 47 | Very low | 44 Ų | 44 | 64.1 Ų | 64.1 | 23% | 0.23 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -73.5 | -41.6 | -179.1 | -76.9 | 162.9 | 0 | 0 | 0 | 112.9 | E30 N185 I186 N187 N191 T192 G193 | E30-L189 HydrophobicContact CB-CD1 4.37Å; E30-L189 HydrophobicContact CG-CB 4.48Å; E30-L189 HydrophobicContact CG-CD1 4.07Å; E30-L189 HydrophobicContact CG-CD2 3.61Å; E30-L189 HydrophobicContact CG-CG 4.24Å; E30-L189 VanDerWaalsContact OE1-CD2 3.26Å; E30-L189 WeakPolarHBondContact OE1-CD2 3.46Å; E30-L189 WeakPolarHBondContact OE2-CD1 3.41Å; N185-L189 VanDerWaalsContact O-CB 3.25Å; N185-L189 WeakPolarHBondContact O-CB 3.3Å; N185-L189 VanDerWaalsContact O-CD1 3.28Å; N185-L189 WeakPolarHBondContact O-CD1 3.41Å; N185-L189 WeakPolarHBondContact O-CG 3.23Å; N185-L189 PolarHBondContact O-N 3.2Å; I186-L189 WeakPolarHBondContact O-CB 3.44Å; I186-L189 PolarHBondContact O-N 3.03Å; I186-L189 VanDerWaalsContact O-N 3.12Å; N187-L189 PolarHBondContact O-N 3.08Å; L189-N191 VanDerWaalsContact C-N 3.3Å; L189-T192 PolarHBondContact O-N 3.42Å; L189-G193 PolarHBondContact O-N 3.37Å |
| 190 | I | 48.7 | Very low | 47.2 | Very low | 21 Ų | 21 | 64.7 Ų | 64.7 | 11% | 0.108 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59 | -48.5 | 170.3 | -68.3 | 168.8 | 0 | 0 | 0 | 108.8 | L54 I186 N187 T192 G193 L194 | L54-I190 HydrophobicContact CD1-CG1 4.01Å; I186-I190 HydrophobicContact CG2-CD1 4.18Å; I186-I190 WeakPolarHBondContact O-CG1 3.46Å; I186-I190 PolarHBondContact O-N 3.09Å; N187-I190 PolarHBondContact O-N 3.13Å; I190-T192 VanDerWaalsContact C-N 3.3Å; I190-T192 PolarHBondContact O-N 3.37Å; I190-G193 PolarHBondContact O-N 3.48Å; I190-L194 HydrophobicContact CG2-CD1 3.82Å; I190-L194 WeakPolarHBondContact O-CB 3.02Å; I190-L194 VanDerWaalsContact O-CG 3.28Å; I190-L194 WeakPolarHBondContact O-CG 3.19Å; I190-L194 PolarHBondContact O-N 2.94Å |
| 191 | N | 51.5 | Low | 47.1 | Very low | 94 Ų | 94 | 60.1 Ų | 60.1 | 50% | 0.503 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.2 | -35.4 | 175.3 | -73.6 | -18.7 | 0 | 0 | 0 | 111.9 | N187 S188 L189 L194 T195 | N187-N191 VanDerWaalsContact O-CB 3.27Å; N187-N191 WeakPolarHBondContact O-CB 3.4Å; N187-N191 VanDerWaalsContact O-CG 3.27Å; N187-N191 PolarHBondContact O-N 3.28Å; N187-N191 PolarHBondContact O-ND2 2.85Å; S188-N191 CarbonylContact O-C 3.48Å; S188-N191 PolarHBondContact O-N 3.36Å; L189-N191 VanDerWaalsContact C-N 3.3Å; N191-L194 PolarHBondContact O-N 3.11Å; N191-T195 WeakPolarHBondContact O-CB 3.27Å; N191-T195 PolarHBondContact O-N 3.04Å; N191-T195 PolarHBondContact O-OG1 2.92Å |
| 192 | T | 51.1 | Low | 47.3 | Very low | 50 Ų | 50 | 55.2 Ų | 55.2 | 31% | 0.307 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -69.7 | -38.8 | 177.4 | -57.1 | 0 | 0 | 0 | 0 | 110.6 | S188 L189 I190 L194 K196 | S188-T192 WeakPolarHBondContact O-CA 3.45Å; S188-T192 VanDerWaalsContact O-CB 3.28Å; S188-T192 WeakPolarHBondContact O-CB 3.38Å; S188-T192 PolarHBondContact O-N 3.29Å; S188-T192 PolarHBondContact O-OG1 2.89Å; L189-T192 PolarHBondContact O-N 3.42Å; I190-T192 VanDerWaalsContact C-N 3.3Å; I190-T192 PolarHBondContact O-N 3.37Å; T192-L194 VanDerWaalsContact C-N 3.34Å; T192-K196 HydrophobicContact CG2-CD 4.23Å; T192-K196 HydrophobicContact CG2-CG 4.48Å; T192-K196 WeakPolarHBondContact O-CB 3.41Å; T192-K196 VanDerWaalsContact O-CG 3.31Å; T192-K196 WeakPolarHBondContact O-CG 3.41Å; T192-K196 PolarHBondContact O-N 3.36Å |
| 193 | G | 42.2 | Very low | 47.5 | Very low | 3 Ų | 3 | 57.7 Ų | 57.7 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.2 | -37 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L23 Y57 L189 I190 S197 | L23-G193 WeakPolarHBondContact CD1-O 3.43Å; Y57-G193 PolarHBondContact OH-O 3.37Å; L189-G193 PolarHBondContact O-N 3.37Å; I190-G193 PolarHBondContact O-N 3.48Å; G193-S197 WeakPolarHBondContact O-CB 3.28Å; G193-S197 PolarHBondContact O-N 3.18Å |
| 194 | L | 50 | Low | 47.4 | Very low | 30 Ų | 30 | 59.2 Ų | 59.2 | 16% | 0.157 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -70.2 | -46.5 | 173.4 | -73.7 | 163.7 | 0 | 0 | 0 | 111.9 | I190 N191 T192 K196 S197 I198 I207 L211 | I190-L194 HydrophobicContact CG2-CD1 3.82Å; I190-L194 WeakPolarHBondContact O-CB 3.02Å; I190-L194 VanDerWaalsContact O-CG 3.28Å; I190-L194 WeakPolarHBondContact O-CG 3.19Å; I190-L194 PolarHBondContact O-N 2.94Å; N191-L194 PolarHBondContact O-N 3.11Å; T192-L194 VanDerWaalsContact C-N 3.34Å; L194-K196 VanDerWaalsContact C-N 3.32Å; L194-K196 PolarHBondContact O-N 2.97Å; L194-S197 WeakPolarHBondContact CA-OG 3.11Å; L194-S197 PolarHBondContact O-N 3.37Å; L194-S197 VanDerWaalsContact O-N 3.16Å; L194-S197 PolarHBondContact O-OG 3.37Å; L194-I198 VanDerWaalsContact O-CG1 3.26Å; L194-I198 WeakPolarHBondContact O-CG1 2.96Å; L194-I198 PolarHBondContact O-N 2.99Å; L194-I207 HydrophobicContact CD2-CB 4.27Å; L194-I207 HydrophobicContact CD2-CG2 3.27Å; L194-L211 HydrophobicContact CD2-CD1 4.35Å |
| 195 | T | 50 | Low | 47.2 | Very low | 79 Ų | 79 | 60.5 Ų | 60.5 | 49% | 0.485 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.9 | -38.6 | 178.4 | -49.1 | 0 | 0 | 0 | 0 | 110.7 | N191 I198 E199 | N191-T195 WeakPolarHBondContact O-CB 3.27Å; N191-T195 PolarHBondContact O-N 3.04Å; N191-T195 PolarHBondContact O-OG1 2.92Å; T195-I198 WeakPolarHBondContact O-CB 3.43Å; T195-I198 PolarHBondContact O-N 2.95Å; T195-E199 PolarHBondContact O-N 3.33Å |
| 196 | K | 45 | Very low | 47.1 | Very low | 76 Ų | 76 | 61.5 Ų | 61.5 | 33% | 0.33 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -69.2 | -32.5 | 172.7 | -77.4 | -178.1 | 176 | 179.1 | 0 | 112.5 | L23 I26 T192 L194 I198 E199 L200 | L23-K196 HydrophobicContact CD1-CB 4.13Å; I26-K196 HydrophobicContact CD1-CD 3.84Å; T192-K196 HydrophobicContact CG2-CD 4.23Å; T192-K196 HydrophobicContact CG2-CG 4.48Å; T192-K196 WeakPolarHBondContact O-CB 3.41Å; T192-K196 VanDerWaalsContact O-CG 3.31Å; T192-K196 WeakPolarHBondContact O-CG 3.41Å; T192-K196 PolarHBondContact O-N 3.36Å; L194-K196 VanDerWaalsContact C-N 3.32Å; L194-K196 PolarHBondContact O-N 2.97Å; K196-I198 VanDerWaalsContact C-N 3.28Å; K196-I198 PolarHBondContact O-N 3.33Å; K196-E199 PolarHBondContact O-N 2.93Å; K196-L200 VanDerWaalsContact O-CB 3.3Å; K196-L200 WeakPolarHBondContact O-CB 3.01Å; K196-L200 WeakPolarHBondContact O-CD1 3.43Å; K196-L200 WeakPolarHBondContact O-CG 3.18Å; K196-L200 PolarHBondContact O-N 2.75Å |
| 197 | S | 45.1 | Very low | 46.8 | Very low | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.9 | -37.3 | 173.3 | 73.1 | 0 | 0 | 0 | 0 | 111 | G193 L194 L200 G201 I202 I207 | G193-S197 WeakPolarHBondContact O-CB 3.28Å; G193-S197 PolarHBondContact O-N 3.18Å; L194-S197 WeakPolarHBondContact CA-OG 3.11Å; L194-S197 PolarHBondContact O-N 3.37Å; L194-S197 VanDerWaalsContact O-N 3.16Å; L194-S197 PolarHBondContact O-OG 3.37Å; S197-L200 CarbonylContact O-C 3.59Å; S197-L200 PolarHBondContact O-N 3.02Å; S197-G201 PolarHBondContact O-N 2.84Å; S197-G201 VanDerWaalsContact O-N 3.15Å; S197-I202 WeakPolarHBondContact O-CB 3.37Å; S197-I202 PolarHBondContact O-N 3.01Å; S197-I207 WeakPolarHBondContact OG-CD1 3.09Å |
| 198 | I | 49 | Very low | 46.4 | Very low | 75 Ų | 75 | 60.6 Ų | 60.6 | 39% | 0.385 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.3 | -46.7 | 172.9 | -61.5 | 161.2 | 0 | 0 | 0 | 111 | L194 T195 K196 L200 G201 Q204 | L194-I198 VanDerWaalsContact O-CG1 3.26Å; L194-I198 WeakPolarHBondContact O-CG1 2.96Å; L194-I198 PolarHBondContact O-N 2.99Å; T195-I198 WeakPolarHBondContact O-CB 3.43Å; T195-I198 PolarHBondContact O-N 2.95Å; K196-I198 VanDerWaalsContact C-N 3.28Å; K196-I198 PolarHBondContact O-N 3.33Å; I198-L200 PolarHBondContact O-N 3.29Å; I198-G201 PolarHBondContact O-N 3.42Å; I198-Q204 VanDerWaalsContact CD1-CD 3.41Å; I198-Q204 HydrophobicContact CD1-CG 4.06Å; I198-Q204 HydrophobicContact CG1-CG 3.99Å |
| 199 | E | 48.4 | Very low | 46.1 | Very low | 155 Ų | 155 | 63.2 Ų | 63.2 | 72% | 0.724 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60.5 | -30.5 | 175.1 | -79 | -176 | 152.6 | 0 | 0 | 112.8 | T195 K196 G201 | T195-E199 PolarHBondContact O-N 3.33Å; K196-E199 PolarHBondContact O-N 2.93Å; E199-G201 VanDerWaalsContact C-N 3.33Å |
| 200 | L | 46.8 | Very low | 45.7 | Very low | 38 Ų | 38 | 66.2 Ų | 66.2 | 20% | 0.199 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -2.5 | 178.9 | -66 | 166.9 | 0 | 0 | 0 | 113.2 | K19 L23 K196 S197 I198 | K19-L200 HydrophobicContact CB-CB 4.28Å; K19-L200 HydrophobicContact CB-CD2 3.78Å; K19-L200 HydrophobicContact CB-CG 4.45Å; K19-L200 HydrophobicContact CD-CB 4.43Å; K19-L200 HydrophobicContact CD-CD2 4.1Å; K19-L200 WeakPolarHBondContact CD-O 3.44Å; K19-L200 HydrophobicContact CG-CD2 3.65Å; L23-L200 HydrophobicContact CB-CD1 3.86Å; K196-L200 VanDerWaalsContact O-CB 3.3Å; K196-L200 WeakPolarHBondContact O-CB 3.01Å; K196-L200 WeakPolarHBondContact O-CD1 3.43Å; K196-L200 WeakPolarHBondContact O-CG 3.18Å; K196-L200 PolarHBondContact O-N 2.75Å; S197-L200 CarbonylContact O-C 3.59Å; S197-L200 PolarHBondContact O-N 3.02Å; I198-L200 PolarHBondContact O-N 3.29Å |
| 201 | G | 40.6 | Very low | 45.5 | Very low | 59 Ų | 59 | 68.7 Ų | 68.7 | 61% | 0.608 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.1 | 17.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | S197 I198 E199 | S197-G201 PolarHBondContact O-N 2.84Å; S197-G201 VanDerWaalsContact O-N 3.15Å; I198-G201 PolarHBondContact O-N 3.42Å; E199-G201 VanDerWaalsContact C-N 3.33Å |
| 202 | I | 45.7 | Very low | 44.9 | Very low | 18 Ų | 18 | 66.9 Ų | 66.9 | 9% | 0.092 | 37% | 0.371 | C | S | . | . | trans | -83.1 | 124.2 | 179 | -55.8 | 173.1 | 0 | 0 | 0 | 108.8 | Q20 L23 S197 Q204 I207 | Q20-I202 HydrophobicContact CG-CD1 3.97Å; Q20-I202 HydrophobicContact CG-CG1 4.47Å; L23-I202 HydrophobicContact CD2-CD1 3.56Å; S197-I202 WeakPolarHBondContact O-CB 3.37Å; S197-I202 PolarHBondContact O-N 3.01Å; I202-Q204 PolarHBondContact O-N 3.36Å; I202-I207 HydrophobicContact CG2-CD1 4.11Å | ||
| 203 | D | 47.5 | Very low | 44.1 | Very low | 93 Ų | 93 | 68.9 Ų | 68.9 | 50% | 0.497 | 38% | 0.38 | S | S | . | . | trans | -58.1 | 117.7 | -173 | -166.3 | -9.8 | 0 | 0 | 0 | 112.3 | N205 Q206 | D203-N205 PolarHBondContact O-N 3.24Å; D203-N205 PolarHBondContact OD1-N 2.97Å; D203-N205 VanDerWaalsContact OD1-N 3.15Å; D203-Q206 PolarHBondContact O-N 3.47Å | ||
| 204 | Q | 42.3 | Very low | 43.9 | Very low | 99 Ų | 99 | 73.8 Ų | 73.8 | 46% | 0.463 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.6 | -23.2 | -176.1 | -147.2 | 177.5 | -7.4 | 0 | 0 | 111.8 | I198 I202 S208 | I198-Q204 VanDerWaalsContact CD1-CD 3.41Å; I198-Q204 HydrophobicContact CD1-CG 4.06Å; I198-Q204 HydrophobicContact CG1-CG 3.99Å; I202-Q204 PolarHBondContact O-N 3.36Å; Q204-S208 VanDerWaalsContact O-CB 3.22Å; Q204-S208 WeakPolarHBondContact O-CB 3.42Å; Q204-S208 PolarHBondContact O-N 3.37Å; Q204-S208 PolarHBondContact O-OG 3.34Å |
| 205 | N | 43.4 | Very low | 43 | Very low | 114 Ų | 114 | 77.6 Ų | 77.6 | 61% | 0.61 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -68 | -38.6 | -178.9 | -76.2 | -32.7 | 0 | 0 | 0 | 112.7 | D203 L209 | D203-N205 PolarHBondContact O-N 3.24Å; D203-N205 PolarHBondContact OD1-N 2.97Å; D203-N205 VanDerWaalsContact OD1-N 3.15Å; N205-L209 WeakPolarHBondContact O-CB 3.46Å; N205-L209 PolarHBondContact O-N 3.47Å |
| 206 | Q | 46.1 | Very low | 41.8 | Very low | 107 Ų | 107 | 80.7 Ų | 80.7 | 50% | 0.5 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -70.1 | -37 | 179 | -69.4 | -170.1 | -3.9 | 0 | 0 | 112 | Y60 D203 L210 | Y60-Q206 HydrophobicContact CE2-CB 4.39Å; Y60-Q206 WeakPolarHBondContact OH-CB 3.39Å; Y60-Q206 PolarHBondContact OH-OE1 3.34Å; D203-Q206 PolarHBondContact O-N 3.47Å; Q206-L210 PolarHBondContact O-N 2.98Å |
| 207 | I | 42.8 | Very low | 40.9 | Very low | 2 Ų | 2 | 83.1 Ų | 83.1 | 1% | 0.01 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -73.3 | -41.1 | 178.2 | -58.5 | 167.5 | 0 | 0 | 0 | 110.7 | Y57 Y60 L194 S197 I202 L210 L211 | Y57-I207 HydrophobicContact CD2-CG2 4.15Å; Y57-I207 HydrophobicContact CE2-CD1 3.96Å; Y57-I207 HydrophobicContact CE2-CG1 4.07Å; Y57-I207 HydrophobicContact CE2-CG2 3.66Å; Y60-I207 HydrophobicContact CD1-CG1 4.24Å; Y60-I207 HydrophobicContact CE1-CD1 4.29Å; Y60-I207 HydrophobicContact CE1-CG1 3.55Å; L194-I207 HydrophobicContact CD2-CB 4.27Å; L194-I207 HydrophobicContact CD2-CG2 3.27Å; S197-I207 WeakPolarHBondContact OG-CD1 3.09Å; I202-I207 HydrophobicContact CG2-CD1 4.11Å; I207-L210 PolarHBondContact O-N 3.37Å; I207-L211 HydrophobicContact CG2-CD1 3.68Å; I207-L211 PolarHBondContact O-N 2.9Å |
| 208 | S | 39.7 | Very low | 40 | Very low | 54 Ų | 54 | 90.3 Ų | 90.3 | 38% | 0.378 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.7 | -37.8 | 177.7 | -55.9 | 0 | 0 | 0 | 0 | 111.9 | Q204 L211 A212 | Q204-S208 VanDerWaalsContact O-CB 3.22Å; Q204-S208 WeakPolarHBondContact O-CB 3.42Å; Q204-S208 PolarHBondContact O-N 3.37Å; Q204-S208 PolarHBondContact O-OG 3.34Å; S208-L211 PolarHBondContact O-N 2.92Å; S208-A212 WeakPolarHBondContact O-CA 3.35Å; S208-A212 WeakPolarHBondContact O-CB 3.37Å; S208-A212 PolarHBondContact O-N 3.36Å |
| 209 | L | 42.8 | Very low | 38.9 | Very low | 117 Ų | 117 | 93.6 Ų | 93.6 | 61% | 0.613 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64 | -40.7 | 174.9 | -131.8 | 90.9 | 0 | 0 | 0 | 112.3 | N205 N213 | N205-L209 WeakPolarHBondContact O-CB 3.46Å; N205-L209 PolarHBondContact O-N 3.47Å; L209-N213 WeakPolarHBondContact O-CB 3.42Å; L209-N213 PolarHBondContact O-N 2.98Å |
| 210 | L | 41.6 | Very low | 37.9 | Very low | 106 Ų | 106 | 92.7 Ų | 92.7 | 56% | 0.555 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68.5 | -32.7 | 178.5 | -92.4 | 158.7 | 0 | 0 | 0 | 113.3 | Y60 Q206 I207 | Y60-L210 HydrophobicContact CD2-CD1 3.29Å; Y60-L210 HydrophobicContact CE2-CD1 3.62Å; Y60-L210 HydrophobicContact CG-CD1 3.89Å; Q206-L210 PolarHBondContact O-N 2.98Å; I207-L210 PolarHBondContact O-N 3.37Å |
| 211 | L | 44.5 | Very low | 37.1 | Very low | 73 Ų | 73 | 98.6 Ų | 98.6 | 38% | 0.382 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -84.3 | -34.1 | 174.8 | -84.3 | 143.6 | 0 | 0 | 0 | 112.7 | L194 I207 S208 | L194-L211 HydrophobicContact CD2-CD1 4.35Å; I207-L211 HydrophobicContact CG2-CD1 3.68Å; I207-L211 PolarHBondContact O-N 2.9Å; S208-L211 PolarHBondContact O-N 2.92Å |
| 212 | A | 38.6 | Very low | 36.4 | Very low | 56 Ų | 56 | 99.4 Ų | 99.4 | 46% | 0.463 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -81.7 | -22.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | S208 K214 T215 | S208-A212 WeakPolarHBondContact O-CA 3.35Å; S208-A212 WeakPolarHBondContact O-CB 3.37Å; S208-A212 PolarHBondContact O-N 3.36Å; A212-K214 PolarHBondContact O-N 3.24Å; A212-T215 PolarHBondContact O-N 2.89Å |
| 213 | N | 33.5 | Very low | 35.5 | Very low | 92 Ų | 92 | 106 Ų | 106 | 49% | 0.492 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.2 | 10.9 | 172.7 | -87.7 | -7.7 | 0 | 0 | 0 | 114.4 | L209 | L209-N213 WeakPolarHBondContact O-CB 3.42Å; L209-N213 PolarHBondContact O-N 2.98Å |
| 214 | K | 38.9 | Very low | 34.5 | Very low | 107 Ų | 107 | 108.5 Ų | 108.5 | 47% | 0.465 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112.9 | 5 | 177.3 | -123.2 | 178.5 | -179.6 | -177.3 | 0 | 115.5 | A212 | A212-K214 PolarHBondContact O-N 3.24Š|
| 215 | T | 31 | Very low | 33.7 | Very low | 110 Ų | 110 | 111.3 Ų | 111.3 | 68% | 0.675 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.6 | -9.5 | 179.4 | 48.7 | 0 | 0 | 0 | 0 | 116.9 | A212 | A212-T215 PolarHBondContact O-N 2.89Š|
| 216 | N | 24.8 | Very low | 32.8 | Very low | 143 Ų | 143 | 114.8 Ų | 114.8 | 77% | 0.765 | 63% | 0.631 | S | S | * | * | trans | -146.3 | 93.5 | 175.7 | -72.6 | -47.8 | 0 | 0 | 0 | 111.2 | ||||
| 217 | L | 26.9 | Very low | 31.9 | Very low | 127 Ų | 127 | 118.8 Ų | 118.8 | 67% | 0.665 | 65% | 0.65 | S | S | * | * | trans | -140.1 | 54.7 | 162.7 | -109 | 163.4 | 0 | 0 | 0 | 109.3 | ||||
| 218 | D | 25.9 | Very low | 31.1 | Very low | 151 Ų | 151 | 123.8 Ų | 123.8 | 81% | 0.807 | 69% | 0.685 | S | S | * | * | trans | -127.7 | 89.7 | 152.2 | -86.2 | -29.5 | 0 | 0 | 0 | 106 | ||||
| 219 | N | 25.4 | Very low | 30.5 | Very low | 145 Ų | 145 | 127.2 Ų | 127.2 | 78% | 0.775 | 70% | 0.703 | S | S | * | * | S | Bend | trans | 161.1 | 114.3 | 135.7 | -80.6 | -36.3 | 0 | 0 | 0 | 113 | ||
| 220 | N | 27.2 | Very low | 29.9 | Very low | 135 Ų | 135 | 127.9 Ų | 127.9 | 72% | 0.722 | 71% | 0.705 | S | S | * | * | trans | 71.4 | 115.1 | 141.1 | -64.5 | -23.7 | 0 | 0 | 0 | 121.9 | ||||
| 221 | N | 30.5 | Very low | 29.2 | Very low | 162 Ų | 162 | 125.5 Ų | 125.5 | 87% | 0.866 | 71% | 0.706 | S | S | * | * | trans | 59.5 | 113.7 | 133.9 | -66.5 | -8.8 | 0 | 0 | 0 | 119.9 | ||||
| 222 | G | 25.2 | Very low | 28.4 | Very low | 76 Ų | 76 | 127.8 Ų | 127.8 | 78% | 0.784 | 72% | 0.719 | S | S | * | * | trans | 166.1 | 114 | 154.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 223 | D | 26.9 | Very low | 28.2 | Very low | 156 Ų | 156 | 128.1 Ų | 128.1 | 83% | 0.834 | 72% | 0.718 | S | S | * | * | trans | -46.1 | 136.4 | 169.5 | -75.1 | -48.8 | 0 | 0 | 0 | 112.8 | ||||
| 224 | D | 26.3 | Very low | 28.6 | Very low | 147 Ų | 147 | 131.4 Ų | 131.4 | 79% | 0.786 | 74% | 0.735 | S | S | * | * | 155.7 | 126.1 | 119.1 | -82.7 | -34.4 | 0 | 0 | 0 | 111.9 | E226 | D224-E226 PolarHBondContact O-N 3.15Š| |||
| 225 | N | 25 | Very low | 29 | Very low | 157 Ų | 157 | 129.8 Ų | 129.8 | 84% | 0.84 | 73% | 0.731 | S | S | * | * | trans | 9.2 | 97.2 | 156.7 | -69.7 | -33.9 | 0 | 0 | 0 | 118.1 | ||||
| 226 | E | 25.5 | Very low | 30.4 | Very low | 187 Ų | 187 | 126.9 Ų | 126.9 | 87% | 0.874 | 72% | 0.715 | S | S | * | * | -161.4 | 119.6 | 130 | -108.7 | 170.3 | -154.6 | 0 | 0 | 108 | D224 S228 | D224-E226 PolarHBondContact O-N 3.15Å; E226-S228 PolarHBondContact O-N 2.67Å | |||
| 227 | Q | 26.1 | Very low | 32 | Very low | 191 Ų | 191 | 121.4 Ų | 121.4 | 89% | 0.893 | 69% | 0.685 | S | S | * | * | trans | -68.9 | 80 | 177.9 | -157.4 | 172.9 | 11.8 | 0 | 0 | 107.9 | V229 | Q227-V229 PolarHBondContact O-N 3.32Š| ||
| 228 | S | 26.6 | Very low | 33.8 | Very low | 107 Ų | 107 | 117.1 Ų | 117.1 | 75% | 0.748 | 66% | 0.662 | S | S | * | * | trans | -65.9 | 96.6 | 172.5 | 61.3 | 0 | 0 | 0 | 0 | 108.5 | E226 M230 | E226-S228 PolarHBondContact O-N 2.67Å; S228-M230 PolarHBondContact O-N 2.93Å | ||
| 229 | V | 27.8 | Very low | 35.3 | Very low | 127 Ų | 127 | 112.7 Ų | 112.7 | 77% | 0.77 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -74.4 | 72.6 | 169.5 | -175.5 | 0 | 0 | 0 | 0 | 108 | Q227 | Q227-V229 PolarHBondContact O-N 3.32Š|
| 230 | M | 30.3 | Very low | 37.1 | Very low | 130 Ų | 130 | 106.7 Ų | 106.7 | 64% | 0.64 | 61% | 0.607 | S | S | * | * | trans | -158.6 | 70.9 | 151.7 | -151.4 | 74.9 | 81.5 | 0 | 0 | 108.6 | S228 N232 | S228-M230 PolarHBondContact O-N 2.93Å; M230-N232 PolarHBondContact O-N 3.07Å | ||
| 231 | G | 26.9 | Very low | 38.8 | Very low | 57 Ų | 57 | 100.3 Ų | 100.3 | 59% | 0.588 | 57% | 0.572 | S | S | * | * | trans | -56.8 | 128.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S233 | G231-S233 WeakPolarHBondContact O-CB 3.45Å; G231-S233 PolarHBondContact O-N 3.12Å; G231-S233 PolarHBondContact O-OG 3.41Å | ||
| 232 | N | 27.3 | Very low | 40.3 | Very low | 121 Ų | 121 | 95.1 Ų | 95.1 | 65% | 0.647 | 54% | 0.542 | S | S | * | . | trans | -46.9 | 107 | 157.3 | -78.9 | -19.5 | 0 | 0 | 0 | 107.8 | M230 | M230-N232 PolarHBondContact O-N 3.07Š| ||
| 233 | S | 35.1 | Very low | 42.1 | Very low | 62 Ų | 62 | 95.2 Ų | 95.2 | 43% | 0.434 | 53% | 0.525 | S | S | . | . | trans | -133.1 | 137.1 | -173.2 | 49.7 | 0 | 0 | 0 | 0 | 108.3 | G231 L235 | G231-S233 WeakPolarHBondContact O-CB 3.45Å; G231-S233 PolarHBondContact O-N 3.12Å; G231-S233 PolarHBondContact O-OG 3.41Å; S233-L235 PolarHBondContact O-N 3.07Å; S233-L235 WeakPolarHBondContact OG-CD1 3.35Å; S233-L235 WeakPolarHBondContact OG-CG 3.46Å | ||
| 234 | N | 41.9 | Very low | 43.8 | Very low | 161 Ų | 161 | 88.5 Ų | 88.5 | 86% | 0.861 | 49% | 0.488 | S | S | * | . | trans | -62.9 | 35.4 | 166.8 | -65.8 | -28.3 | 0 | 0 | 0 | 111.2 | ||||
| 235 | L | 46.8 | Very low | 45.4 | Very low | 74 Ų | 74 | 83.6 Ų | 83.6 | 39% | 0.387 | 46% | 0.459 | S | S | . | . | trans | -72.4 | 131.1 | 179.3 | -77 | 175.9 | 0 | 0 | 0 | 108.1 | S233 D239 I240 | S233-L235 PolarHBondContact O-N 3.07Å; S233-L235 WeakPolarHBondContact OG-CD1 3.35Å; S233-L235 WeakPolarHBondContact OG-CG 3.46Å; L235-D239 HydrophobicContact CB-CB 3.98Å; L235-D239 HydrophobicContact CD2-CB 3.68Å; L235-D239 HydrophobicContact CG-CB 4.25Å; L235-I240 HydrophobicContact CB-CG1 4.01Å | ||
| 236 | S | 60.6 | Low | 47.1 | Very low | 48 Ų | 48 | 79.3 Ų | 79.3 | 34% | 0.336 | 44% | 0.441 | S | S | . | . | trans | -59.7 | 156 | 173.9 | 71 | 0 | 0 | 0 | 0 | 109.9 | I238 D239 I240 | S236-I238 PolarHBondContact O-N 2.92Å; S236-D239 WeakPolarHBondContact CB-OD2 3.41Å; S236-D239 PolarHBondContact N-OD2 3.27Å; S236-D239 PolarHBondContact O-N 3.3Å; S236-D239 PolarHBondContact OG-N 3.26Å; S236-D239 PolarHBondContact OG-OD2 3.1Å; S236-I240 PolarHBondContact O-N 3.27Å; S236-I240 VanDerWaalsContact O-N 3.17Å | ||
| 237 | E | 58.5 | Low | 48.8 | Very low | 29 Ų | 29 | 73.7 Ų | 73.7 | 14% | 0.136 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -46.9 | -37.8 | 175.2 | -61.9 | 177 | -173.3 | 0 | 0 | 111.6 | R48 I52 I114 S119 L241 | R48-E237 IonicContact NH1-OE2 3.53Å; I52-E237 HydrophobicContact CD1-CB 3.88Å; I52-E237 HydrophobicContact CD1-CG 3.74Å; I114-E237 HydrophobicContact CG2-CB 4.44Å; S119-E237 VanDerWaalsContact OG-CD 3.31Å; S119-E237 PolarHBondContact OG-OE1 2.93Å; S119-E237 PolarHBondContact OG-OE2 3.26Å; E237-L241 WeakPolarHBondContact O-CG 3.32Å; E237-L241 PolarHBondContact O-N 2.93Å |
| 238 | I | 63.1 | Low | 50.4 | Low | 36 Ų | 36 | 64.6 Ų | 64.6 | 19% | 0.185 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.2 | -42.1 | 178.8 | -65 | 170.5 | 0 | 0 | 0 | 111.5 | L111 I114 S236 L241 K242 | L111-I238 HydrophobicContact CD1-CG2 4.35Å; I114-I238 HydrophobicContact CG2-CG1 3.94Å; S236-I238 PolarHBondContact O-N 2.92Å; I238-L241 PolarHBondContact O-N 3.5Å; I238-K242 HydrophobicContact CG2-CD 3.98Å; I238-K242 HydrophobicContact CG2-CG 4.36Å; I238-K242 WeakPolarHBondContact O-CB 3.35Å; I238-K242 VanDerWaalsContact O-CG 3.28Å; I238-K242 WeakPolarHBondContact O-CG 3.11Å; I238-K242 PolarHBondContact O-N 3.33Å |
| 239 | D | 57.8 | Low | 52.1 | Low | 58 Ų | 58 | 64.2 Ų | 64.2 | 31% | 0.31 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -72.1 | -34.3 | -177.3 | -57.6 | -43.9 | 0 | 0 | 0 | 112 | L235 S236 K242 N243 | L235-D239 HydrophobicContact CB-CB 3.98Å; L235-D239 HydrophobicContact CD2-CB 3.68Å; L235-D239 HydrophobicContact CG-CB 4.25Å; S236-D239 WeakPolarHBondContact CB-OD2 3.41Å; S236-D239 PolarHBondContact N-OD2 3.27Å; S236-D239 PolarHBondContact O-N 3.3Å; S236-D239 PolarHBondContact OG-N 3.26Å; S236-D239 PolarHBondContact OG-OD2 3.1Å; D239-K242 PolarHBondContact O-N 3.46Å; D239-N243 WeakPolarHBondContact O-CB 3.3Å; D239-N243 PolarHBondContact O-N 3.25Å |
| 240 | I | 62.8 | Low | 53.7 | Low | 20 Ų | 20 | 62 Ų | 62 | 10% | 0.103 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.8 | -50.4 | 173.1 | -64.2 | 167.6 | 0 | 0 | 0 | 109.9 | I52 L235 S236 K242 N243 E244 | I52-I240 HydrophobicContact CG2-CD1 4.35Å; I52-I240 HydrophobicContact CG2-CG2 3.9Å; L235-I240 HydrophobicContact CB-CG1 4.01Å; S236-I240 PolarHBondContact O-N 3.27Å; S236-I240 VanDerWaalsContact O-N 3.17Å; I240-K242 PolarHBondContact O-N 3.03Å; I240-N243 PolarHBondContact O-N 3.3Å; I240-E244 WeakPolarHBondContact O-CG 3.49Å; I240-E244 PolarHBondContact O-N 2.87Å |
| 241 | L | 63.3 | Low | 55 | Low | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.3 | -36.9 | -179.4 | -68.3 | 170.2 | 0 | 0 | 0 | 111.9 | Q55 L107 L111 I114 E237 I238 E244 Y245 | Q55-L241 HydrophobicContact CG-CD2 4.06Å; L107-L241 HydrophobicContact CD1-CD2 3.9Å; L107-L241 WeakPolarHBondContact CD2-O 3.38Å; L111-L241 HydrophobicContact CD1-CB 3.28Å; L111-L241 HydrophobicContact CD1-CD1 3.97Å; L111-L241 HydrophobicContact CD1-CG 4.29Å; I114-L241 HydrophobicContact CD1-CD1 3.3Å; E237-L241 WeakPolarHBondContact O-CG 3.32Å; E237-L241 PolarHBondContact O-N 2.93Å; I238-L241 PolarHBondContact O-N 3.5Å; L241-E244 PolarHBondContact O-N 2.96Å; L241-Y245 PolarHBondContact O-N 3.2Å |
| 242 | K | 61.7 | Low | 56.7 | Low | 53 Ų | 53 | 54.5 Ų | 54.5 | 23% | 0.23 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.4 | -45.3 | 172.8 | -80.7 | 172.6 | 175.6 | 174.3 | 0 | 112 | L111 I238 D239 I240 E244 Y245 C246 L277 | L111-K242 HydrophobicContact CD1-CG 4.36Å; L111-K242 HydrophobicContact CD2-CG 4.06Å; I238-K242 HydrophobicContact CG2-CD 3.98Å; I238-K242 HydrophobicContact CG2-CG 4.36Å; I238-K242 WeakPolarHBondContact O-CB 3.35Å; I238-K242 VanDerWaalsContact O-CG 3.28Å; I238-K242 WeakPolarHBondContact O-CG 3.11Å; I238-K242 PolarHBondContact O-N 3.33Å; D239-K242 PolarHBondContact O-N 3.46Å; I240-K242 PolarHBondContact O-N 3.03Å; K242-E244 VanDerWaalsContact C-N 3.29Å; K242-E244 PolarHBondContact O-N 3.23Å; K242-Y245 WeakPolarHBondContact O-CB 3.49Å; K242-Y245 PolarHBondContact O-N 3.14Å; K242-C246 PolarHBondContact O-N 3.23Å; K242-C246 PolarHBondContact O-SG 3.36Å; K242-L277 WeakPolarHBondContact CE-O 3.43Å; K242-L277 PolarHBondContact NZ-O 3Å |
| 243 | N | 62.9 | Low | 58.2 | Low | 78 Ų | 78 | 54.7 Ų | 54.7 | 42% | 0.417 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.6 | -43.4 | 178.3 | -169.4 | 39 | 0 | 0 | 0 | 110.8 | D239 I240 Y245 C246 T247 | D239-N243 WeakPolarHBondContact O-CB 3.3Å; D239-N243 PolarHBondContact O-N 3.25Å; I240-N243 PolarHBondContact O-N 3.3Å; N243-Y245 VanDerWaalsContact C-N 3.34Å; N243-Y245 PolarHBondContact O-N 3.32Å; N243-C246 WeakPolarHBondContact O-CB 3.42Å; N243-C246 PolarHBondContact O-N 2.81Å; N243-T247 PolarHBondContact O-N 2.96Å; N243-T247 PolarHBondContact O-OG1 3.06Å; N243-T247 VanDerWaalsContact O-OG1 3.06Å |
| 244 | E | 63.6 | Low | 59.2 | Low | 16 Ų | 16 | 55.2 Ų | 55.2 | 8% | 0.075 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.2 | -35.4 | 177 | -69.3 | 167.2 | 171.7 | 0 | 0 | 112.8 | Q55 R56 M59 I240 L241 K242 T247 L248 | Q55-E244 WeakPolarHBondContact CG-OE2 3.47Å; R56-E244 WeakPolarHBondContact CG-OE1 3.47Å; R56-E244 IonicContact NE-OE1 3.56Å; M59-E244 HydrophobicContact CG-CB 4.26Å; M59-E244 HydrophobicContact CG-CG 4.15Å; I240-E244 WeakPolarHBondContact O-CG 3.49Å; I240-E244 PolarHBondContact O-N 2.87Å; L241-E244 PolarHBondContact O-N 2.96Å; K242-E244 VanDerWaalsContact C-N 3.29Å; K242-E244 PolarHBondContact O-N 3.23Å; E244-T247 PolarHBondContact O-N 3.42Å; E244-L248 WeakPolarHBondContact O-CG 3.49Å; E244-L248 PolarHBondContact O-N 2.9Å |
| 245 | Y | 60.7 | Low | 59.9 | Low | 43 Ų | 43 | 47.6 Ų | 47.6 | 17% | 0.169 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.1 | -47 | 170.8 | -172.6 | -93 | 0 | 0 | 0 | 111.6 | M104 L107 L108 L241 K242 N243 T247 L248 Q249 | M104-Y245 HydrophobicContact CB-CD2 4.47Å; M104-Y245 HydrophobicContact CB-CE2 3.97Å; M104-Y245 HydrophobicContact CE-CD1 4.04Å; M104-Y245 HydrophobicContact CE-CD2 3.94Å; M104-Y245 HydrophobicContact CE-CE1 3.65Å; M104-Y245 HydrophobicContact CE-CE2 3.56Å; M104-Y245 HydrophobicContact CE-CG 4.18Å; M104-Y245 VanDerWaalsContact CE-CZ 3.41Å; M104-Y245 HydrophobicContact CG-CE2 4.49Å; L107-Y245 HydrophobicContact CD2-CD2 3.79Å; L107-Y245 HydrophobicContact CD2-CG 4.15Å; L108-Y245 HydrophobicContact CB-CE2 4.21Å; L108-Y245 HydrophobicContact CD1-CD2 4.19Å; L108-Y245 HydrophobicContact CD1-CE2 3.45Å; L108-Y245 VanDerWaalsContact CD1-CE2 3.45Å; L108-Y245 HydrophobicContact CG-CE2 4.43Å; L241-Y245 PolarHBondContact O-N 3.2Å; K242-Y245 WeakPolarHBondContact O-CB 3.49Å; K242-Y245 PolarHBondContact O-N 3.14Å; N243-Y245 VanDerWaalsContact C-N 3.34Å; N243-Y245 PolarHBondContact O-N 3.32Å; Y245-T247 VanDerWaalsContact C-N 3.32Å; Y245-T247 PolarHBondContact O-N 2.99Å; Y245-L248 PolarHBondContact O-N 3.1Å; Y245-Q249 PolarHBondContact O-N 2.69Å |
| 246 | C | 60 | Low | 60.3 | Low | 68 Ų | 68 | 44.7 Ų | 44.7 | 46% | 0.459 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.6 | -42 | 177 | -69.3 | 0 | 0 | 0 | 0 | 111.5 | K242 N243 L248 Q249 T250 | K242-C246 PolarHBondContact O-N 3.23Å; K242-C246 PolarHBondContact O-SG 3.36Å; N243-C246 WeakPolarHBondContact O-CB 3.42Å; N243-C246 PolarHBondContact O-N 2.81Å; C246-L248 PolarHBondContact O-N 3.06Å; C246-Q249 WeakPolarHBondContact O-CB 3.49Å; C246-Q249 PolarHBondContact O-N 2.76Å; C246-Q249 VanDerWaalsContact O-N 3.15Å; C246-T250 PolarHBondContact O-N 2.91Å; C246-T250 PolarHBondContact O-OG1 2.87Å; C246-T250 VanDerWaalsContact O-OG1 3.1Å |
| 247 | T | 60.9 | Low | 60 | Low | 68 Ų | 68 | 46 Ų | 46 | 42% | 0.417 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -60.6 | -43.1 | 176.4 | -52.5 | 0 | 0 | 0 | 0 | 112.2 | M59 N243 E244 Y245 Q249 T250 A251 | M59-T247 HydrophobicContact CE-CG2 3.71Å; N243-T247 PolarHBondContact O-N 2.96Å; N243-T247 PolarHBondContact O-OG1 3.06Å; N243-T247 VanDerWaalsContact O-OG1 3.06Å; E244-T247 PolarHBondContact O-N 3.42Å; Y245-T247 VanDerWaalsContact C-N 3.32Å; Y245-T247 PolarHBondContact O-N 2.99Å; T247-Q249 VanDerWaalsContact C-N 3.31Å; T247-Q249 PolarHBondContact O-N 3.02Å; T247-T250 PolarHBondContact O-N 3.27Å; T247-A251 PolarHBondContact O-N 3.42Å |
| 248 | L | 60.4 | Low | 59.6 | Low | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.9 | -37.2 | 174.9 | -72.3 | 171.7 | 0 | 0 | 0 | 112.3 | M59 L62 I100 M104 E244 Y245 C246 T250 A251 L252 | M59-L248 HydrophobicContact CE-CD2 3.67Å; M59-L248 HydrophobicContact CE-CG 3.67Å; M59-L248 HydrophobicContact SD-CD1 3.88Å; M59-L248 HydrophobicContact SD-CD2 3.51Å; M59-L248 VanDerWaalsContact SD-CD2 3.51Å; M59-L248 HydrophobicContact SD-CG 3.5Å; M59-L248 VanDerWaalsContact SD-CG 3.5Å; L62-L248 HydrophobicContact CD1-CD2 3.58Å; L62-L248 HydrophobicContact CD2-CD2 3.88Å; L62-L248 HydrophobicContact CG-CD2 4.36Å; I100-L248 HydrophobicContact CG2-CB 4.45Å; I100-L248 HydrophobicContact CG2-CD2 4.27Å; M104-L248 HydrophobicContact CE-CB 4.23Å; M104-L248 HydrophobicContact CG-CB 3.62Å; M104-L248 HydrophobicContact CG-CD1 3.88Å; M104-L248 HydrophobicContact CG-CG 4.34Å; M104-L248 HydrophobicContact SD-CB 3.97Å; E244-L248 WeakPolarHBondContact O-CG 3.49Å; E244-L248 PolarHBondContact O-N 2.9Å; Y245-L248 PolarHBondContact O-N 3.1Å; C246-L248 PolarHBondContact O-N 3.06Å; L248-T250 VanDerWaalsContact C-N 3.34Å; L248-A251 PolarHBondContact O-N 2.93Å; L248-L252 WeakPolarHBondContact O-CB 3.45Å; L248-L252 PolarHBondContact O-N 3.15Å |
| 249 | Q | 61.6 | Low | 58.7 | Low | 99 Ų | 99 | 46.3 Ų | 46.3 | 46% | 0.463 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.5 | -41 | 177.9 | -164.9 | 172 | 0.6 | 0 | 0 | 111.5 | M104 Y245 C246 T247 L252 H253 | M104-Q249 HydrophobicContact CE-CB 3.63Å; M104-Q249 HydrophobicContact CE-CG 4.16Å; Y245-Q249 PolarHBondContact O-N 2.69Å; C246-Q249 WeakPolarHBondContact O-CB 3.49Å; C246-Q249 PolarHBondContact O-N 2.76Å; C246-Q249 VanDerWaalsContact O-N 3.15Å; T247-Q249 VanDerWaalsContact C-N 3.31Å; T247-Q249 PolarHBondContact O-N 3.02Å; Q249-L252 PolarHBondContact O-N 3.19Å; Q249-H253 PolarHBondContact O-N 3.49Å |
| 250 | T | 61.9 | Low | 57.8 | Low | 81 Ų | 81 | 50 Ų | 50 | 50% | 0.497 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.8 | -48.2 | 174.8 | -52 | 0 | 0 | 0 | 0 | 111.1 | C246 T247 L248 L252 H253 D254 | C246-T250 PolarHBondContact O-N 2.91Å; C246-T250 PolarHBondContact O-OG1 2.87Å; C246-T250 VanDerWaalsContact O-OG1 3.1Å; T247-T250 PolarHBondContact O-N 3.27Å; L248-T250 VanDerWaalsContact C-N 3.34Å; T250-L252 VanDerWaalsContact C-N 3.31Å; T250-L252 PolarHBondContact O-N 2.77Å; T250-H253 WeakPolarHBondContact O-CA 3.41Å; T250-H253 WeakPolarHBondContact O-CB 3.22Å; T250-H253 PolarHBondContact O-N 3.26Å; T250-D254 PolarHBondContact O-N 3.22Å |
| 251 | A | 57.7 | Low | 56.5 | Low | 8 Ų | 8 | 51.9 Ų | 51.9 | 7% | 0.066 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.4 | -42.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T247 L248 H253 D254 I255 | T247-A251 PolarHBondContact O-N 3.42Å; L248-A251 PolarHBondContact O-N 2.93Å; A251-H253 VanDerWaalsContact C-N 3.3Å; A251-H253 PolarHBondContact O-N 2.9Å; A251-D254 PolarHBondContact O-N 3.01Å; A251-I255 WeakPolarHBondContact O-CB 3.4Å; A251-I255 VanDerWaalsContact O-CG1 3.22Å; A251-I255 WeakPolarHBondContact O-CG1 2.97Å; A251-I255 PolarHBondContact O-N 3.44Å |
| 252 | L | 61.2 | Low | 55.1 | Low | 21 Ų | 21 | 55 Ų | 55 | 11% | 0.11 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 175.3 | -167.6 | 77.1 | 0 | 0 | 0 | 111.6 | T97 I100 E101 M104 L248 Q249 T250 S256 | T97-L252 HydrophobicContact CG2-CD1 3.55Å; I100-L252 HydrophobicContact CB-CD1 4.06Å; I100-L252 HydrophobicContact CG2-CB 4.16Å; I100-L252 HydrophobicContact CG2-CD1 3.87Å; E101-L252 HydrophobicContact CG-CD1 4Å; E101-L252 HydrophobicContact CG-CD2 4.27Å; M104-L252 HydrophobicContact SD-CD2 4.44Å; L248-L252 WeakPolarHBondContact O-CB 3.45Å; L248-L252 PolarHBondContact O-N 3.15Å; Q249-L252 PolarHBondContact O-N 3.19Å; T250-L252 VanDerWaalsContact C-N 3.31Å; T250-L252 PolarHBondContact O-N 2.77Å; L252-S256 VanDerWaalsContact O-CB 3.22Å; L252-S256 WeakPolarHBondContact O-CB 3.47Å; L252-S256 PolarHBondContact O-N 2.99Å; L252-S256 PolarHBondContact O-OG 3.3Å |
| 253 | H | 60.7 | Low | 53.9 | Low | 125 Ų | 125 | 55.2 Ų | 55.2 | 58% | 0.579 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -64 | -45.6 | 177.3 | -172.9 | 64.1 | 0 | 0 | 0 | 111.7 | Q249 T250 A251 S256 S257 | Q249-H253 PolarHBondContact O-N 3.49Å; T250-H253 WeakPolarHBondContact O-CA 3.41Å; T250-H253 WeakPolarHBondContact O-CB 3.22Å; T250-H253 PolarHBondContact O-N 3.26Å; A251-H253 VanDerWaalsContact C-N 3.3Å; A251-H253 PolarHBondContact O-N 2.9Å; H253-S256 PolarHBondContact O-N 2.85Å; H253-S257 WeakPolarHBondContact O-CB 3.41Å; H253-S257 PolarHBondContact O-N 3.49Å |
| 254 | D | 56 | Low | 52.6 | Low | 73 Ų | 73 | 57.7 Ų | 57.7 | 39% | 0.39 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.2 | -44.6 | -178.1 | -69.5 | -17.3 | 0 | 0 | 0 | 111.5 | T250 A251 S257 L258 | T250-D254 PolarHBondContact O-N 3.22Å; A251-D254 PolarHBondContact O-N 3.01Å; D254-S257 PolarHBondContact O-N 3.3Å; D254-S257 PolarHBondContact O-OG 3.16Å; D254-L258 PolarHBondContact O-N 3.44Å |
| 255 | I | 55.3 | Low | 51.1 | Low | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.9 | -43.7 | 176.8 | -65.7 | 174.6 | 0 | 0 | 0 | 111.4 | E66 F93 F96 I100 A251 S257 L258 V259 | E66-I255 HydrophobicContact CB-CD1 4.49Å; E66-I255 HydrophobicContact CG-CD1 3.78Å; E66-I255 HydrophobicContact CG-CG1 4.07Å; F93-I255 HydrophobicContact CD1-CG2 3.48Å; F93-I255 VanDerWaalsContact CD1-CG2 3.48Å; F93-I255 HydrophobicContact CE1-CB 4.39Å; F93-I255 HydrophobicContact CE1-CG2 3.59Å; F96-I255 HydrophobicContact CD1-CD1 3.61Å; F96-I255 HydrophobicContact CE1-CD1 3.53Å; I100-I255 HydrophobicContact CD1-CD1 3.49Å; I100-I255 VanDerWaalsContact CD1-CD1 3.49Å; A251-I255 WeakPolarHBondContact O-CB 3.4Å; A251-I255 VanDerWaalsContact O-CG1 3.22Å; A251-I255 WeakPolarHBondContact O-CG1 2.97Å; A251-I255 PolarHBondContact O-N 3.44Å; I255-S257 PolarHBondContact O-N 2.73Å; I255-L258 PolarHBondContact O-N 2.72Å; I255-V259 PolarHBondContact O-N 2.93Å |
| 256 | S | 55.1 | Low | 49.7 | Very low | 13 Ų | 13 | 61.4 Ų | 61.4 | 9% | 0.091 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -71.7 | -16.3 | 178.3 | -53.6 | 0 | 0 | 0 | 0 | 113.2 | L252 H253 V259 | L252-S256 VanDerWaalsContact O-CB 3.22Å; L252-S256 WeakPolarHBondContact O-CB 3.47Å; L252-S256 PolarHBondContact O-N 2.99Å; L252-S256 PolarHBondContact O-OG 3.3Å; H253-S256 PolarHBondContact O-N 2.85Å; S256-V259 CarbonylContact C-O 3.13Å |
| 257 | S | 54.7 | Low | 48.2 | Very low | 77 Ų | 77 | 65.1 Ų | 65.1 | 54% | 0.538 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -81.3 | -28.7 | 172.9 | 80.2 | 0 | 0 | 0 | 0 | 112.1 | H253 D254 I255 | H253-S257 WeakPolarHBondContact O-CB 3.41Å; H253-S257 PolarHBondContact O-N 3.49Å; D254-S257 PolarHBondContact O-N 3.3Å; D254-S257 PolarHBondContact O-OG 3.16Å; I255-S257 PolarHBondContact O-N 2.73Å |
| 258 | L | 49.8 | Very low | 46.8 | Very low | 53 Ų | 53 | 64.5 Ų | 64.5 | 28% | 0.277 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -76.5 | -44 | -176.8 | -118.4 | 97.6 | 0 | 0 | 0 | 112.7 | I70 W73 F93 D254 I255 | I70-L258 HydrophobicContact CG2-CD2 4.12Å; W73-L258 HydrophobicContact CE3-CD2 3.83Å; W73-L258 HydrophobicContact CZ3-CD2 3.9Å; F93-L258 HydrophobicContact CE1-CB 4.37Å; F93-L258 HydrophobicContact CZ-CD2 4.33Å; D254-L258 PolarHBondContact O-N 3.44Å; I255-L258 PolarHBondContact O-N 2.72Å |
| 259 | V | 43.9 | Very low | 45.5 | Very low | 17 Ų | 17 | 67.2 Ų | 67.2 | 10% | 0.103 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -102.1 | 132.9 | 173.1 | -163.6 | 0 | 0 | 0 | 0 | 105.4 | W73 F93 I255 S256 V261 | W73-V259 HydrophobicContact CZ2-CG2 4.3Å; F93-V259 HydrophobicContact CB-CG2 4.01Å; F93-V259 HydrophobicContact CD1-CB 4.5Å; F93-V259 HydrophobicContact CD1-CG2 3.32Å; F93-V259 HydrophobicContact CD2-CG2 4.33Å; F93-V259 HydrophobicContact CE1-CG2 3.79Å; F93-V259 HydrophobicContact CG-CG2 3.61Å; F93-V259 HydrophobicContact CZ-CG2 4.49Å; I255-V259 PolarHBondContact O-N 2.93Å; S256-V259 CarbonylContact C-O 3.13Å; V259-V261 HydrophobicContact CB-CG2 3.98Å; V259-V261 HydrophobicContact CG1-CG2 3.56Å; V259-V261 PolarHBondContact O-N 2.86Å |
| 260 | C | 40.1 | Very low | 44.2 | Very low | 135 Ų | 135 | 65.6 Ų | 65.6 | 91% | 0.912 | 37% | 0.372 | S | S | * | . | trans | -66.9 | 37 | 175.6 | -76.4 | 0 | 0 | 0 | 0 | 112.9 | T262 | C260-T262 PolarHBondContact O-N 3.11Š| ||
| 261 | V | 34.8 | Very low | 42.9 | Very low | 61 Ų | 61 | 66.3 Ų | 66.3 | 37% | 0.37 | 37% | 0.372 | S | S | . | . | trans | -83.3 | 99 | 166 | -169.6 | 0 | 0 | 0 | 0 | 105.8 | V259 | V259-V261 HydrophobicContact CB-CG2 3.98Å; V259-V261 HydrophobicContact CG1-CG2 3.56Å; V259-V261 PolarHBondContact O-N 2.86Å | ||
| 262 | T | 35.2 | Very low | 41.7 | Very low | 64 Ų | 64 | 70.5 Ų | 70.5 | 39% | 0.393 | 39% | 0.393 | S | S | . | . | trans | -34.5 | 120.6 | 160.1 | 31 | 0 | 0 | 0 | 0 | 110.3 | C260 W264 | C260-T262 PolarHBondContact O-N 3.11Å; T262-W264 HydrophobicContact CG2-CG 4.4Å; T262-W264 PolarHBondContact O-N 3.5Å | ||
| 263 | P | 34.8 | Very low | 40.5 | Very low | 58 Ų | 58 | 71.5 Ų | 71.5 | 38% | 0.377 | 40% | 0.398 | S | S | . | . | trans | -67.8 | 71.9 | 177.1 | 28.8 | -33.8 | 0 | 0 | 0 | 110.5 | ||||
| 264 | W | 35.5 | Very low | 39.2 | Very low | 131 Ų | 131 | 72.5 Ų | 72.5 | 50% | 0.496 | 40% | 0.403 | S | S | . | . | trans | -122.4 | 74.7 | -161.3 | -77.6 | 45.6 | 0 | 0 | 0 | 109.4 | T262 F354 Y370 | T262-W264 HydrophobicContact CG2-CG 4.4Å; T262-W264 PolarHBondContact O-N 3.5Å; W264-F354 HydrophobicContact CZ3-CD2 4.4Å; W264-Y370 WeakPolarHBondContact CH2-OH 3.16Å; W264-Y370 WeakPolarHBondContact CZ2-OH 3.44Å | ||
| 265 | N | 32.8 | Very low | 38.2 | Very low | 99 Ų | 99 | 75 Ų | 75 | 53% | 0.529 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -153.7 | -5 | 147.4 | -92 | -34.9 | 0 | 0 | 0 | 114.8 | ||
| 266 | I | 31.6 | Very low | 37.2 | Very low | 37 Ų | 37 | 82.9 Ų | 82.9 | 19% | 0.19 | 44% | 0.442 | C | S | . | . | trans | -140.8 | 57.1 | -175.5 | -43 | -179 | 0 | 0 | 0 | 113.4 | E101 R105 F269 | E101-I266 HydrophobicContact CB-CD1 3.47Å; E101-I266 VanDerWaalsContact CB-CD1 3.47Å; E101-I266 HydrophobicContact CB-CG1 4.5Å; E101-I266 HydrophobicContact CG-CD1 3.51Å; E101-I266 HydrophobicContact CG-CG1 4.13Å; E101-I266 WeakPolarHBondContact OE2-CD1 3.42Å; R105-I266 HydrophobicContact CG-CD1 4.16Å; I266-F269 HydrophobicContact CG2-CD2 3.78Å; I266-F269 HydrophobicContact CG2-CE2 3.9Å | ||
| 267 | L | 29.4 | Very low | 36.2 | Very low | 147 Ų | 147 | 83.6 Ų | 83.6 | 77% | 0.77 | 45% | 0.445 | S | S | * | . | trans | -104.5 | 11.3 | 151.8 | -90 | 167.3 | 0 | 0 | 0 | 112.3 | F269 | L267-F269 VanDerWaalsContact C-N 3.31Å; L267-F269 PolarHBondContact O-N 2.87Å | ||
| 268 | A | 31.1 | Very low | 35.4 | Very low | 55 Ų | 55 | 83.2 Ų | 83.2 | 46% | 0.455 | 44% | 0.442 | S | S | . | . | trans | -95.3 | 57.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | I351 | A268-I351 HydrophobicContact CB-CG2 4.17Š| ||
| 269 | F | 32.9 | Very low | 34.7 | Very low | 57 Ų | 57 | 86.7 Ų | 86.7 | 25% | 0.25 | 46% | 0.46 | C | S | . | . | trans | -89.8 | 128.4 | 156 | -107.6 | -76.7 | 0 | 0 | 0 | 107.8 | L108 I266 L267 I271 I273 | L108-F269 HydrophobicContact CB-CZ 4.2Å; L108-F269 HydrophobicContact CD1-CD1 4.08Å; L108-F269 HydrophobicContact CD1-CE1 3.51Å; L108-F269 HydrophobicContact CD1-CE2 4.01Å; L108-F269 HydrophobicContact CD1-CZ 3.45Å; L108-F269 VanDerWaalsContact CD1-CZ 3.45Å; L108-F269 HydrophobicContact CD2-CD1 4.18Å; L108-F269 HydrophobicContact CD2-CE1 3.16Å; L108-F269 HydrophobicContact CD2-CZ 3.52Å; L108-F269 HydrophobicContact CG-CE1 3.89Å; L108-F269 HydrophobicContact CG-CZ 3.9Å; I266-F269 HydrophobicContact CG2-CD2 3.78Å; I266-F269 HydrophobicContact CG2-CE2 3.9Å; L267-F269 VanDerWaalsContact C-N 3.31Å; L267-F269 PolarHBondContact O-N 2.87Å; F269-I271 PolarHBondContact O-N 3.31Å; F269-I273 HydrophobicContact CD1-CD1 4.14Å; F269-I273 HydrophobicContact CE1-CD1 3.91Å | ||
| 270 | P | 33.4 | Very low | 34.1 | Very low | 64 Ų | 64 | 94.5 Ų | 94.5 | 42% | 0.416 | 50% | 0.496 | S | S | . | . | trans | -63.6 | 124.9 | 172.3 | 13.9 | -8.5 | 0 | 0 | 0 | 107.1 | D272 I273 | P270-D272 HydrophobicContact CB-CB 4.33Å; P270-D272 PolarHBondContact O-N 3.17Å; P270-I273 PolarHBondContact O-N 2.87Å | ||
| 271 | I | 35.2 | Very low | 33.4 | Very low | 96 Ų | 96 | 96.6 Ų | 96.6 | 49% | 0.492 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -41.1 | -26.7 | 172 | -66.1 | 160.7 | 0 | 0 | 0 | 111.6 | F269 I273 E274 Q275 | F269-I271 PolarHBondContact O-N 3.31Å; I271-I273 VanDerWaalsContact C-N 3.32Å; I271-I273 PolarHBondContact O-N 3.24Å; I271-E274 PolarHBondContact O-N 2.8Å; I271-Q275 HydrophobicContact CG2-CG 4.16Å; I271-Q275 WeakPolarHBondContact O-CB 3.28Å; I271-Q275 WeakPolarHBondContact O-CG 3.3Å; I271-Q275 PolarHBondContact O-N 3.39Å |
| 272 | D | 32.1 | Very low | 33.1 | Very low | 96 Ų | 96 | 98.6 Ų | 98.6 | 51% | 0.513 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57.5 | -28.5 | 175.4 | -61.9 | -11.6 | 0 | 0 | 0 | 115.6 | P270 R276 | P270-D272 HydrophobicContact CB-CB 4.33Å; P270-D272 PolarHBondContact O-N 3.17Å; D272-R276 VanDerWaalsContact O-CB 3.27Å; D272-R276 WeakPolarHBondContact O-CB 3.45Å; D272-R276 WeakPolarHBondContact O-CD 3.26Å; D272-R276 WeakPolarHBondContact O-CG 3.48Å; D272-R276 PolarHBondContact O-N 2.93Å |
| 273 | I | 36.9 | Very low | 32.6 | Very low | 43 Ų | 43 | 101.4 Ų | 101.4 | 22% | 0.221 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -84.7 | -40.1 | 179.2 | -64.3 | 173.1 | 0 | 0 | 0 | 111.4 | L108 F269 P270 I271 Q275 R276 L277 | L108-I273 HydrophobicContact CD2-CD1 3.72Å; L108-I273 HydrophobicContact CD2-CG2 3.92Å; L108-I273 HydrophobicContact CG-CG2 4.43Å; F269-I273 HydrophobicContact CD1-CD1 4.14Å; F269-I273 HydrophobicContact CE1-CD1 3.91Å; P270-I273 PolarHBondContact O-N 2.87Å; I271-I273 VanDerWaalsContact C-N 3.32Å; I271-I273 PolarHBondContact O-N 3.24Å; I273-Q275 VanDerWaalsContact C-N 3.26Å; I273-Q275 PolarHBondContact O-N 2.84Å; I273-R276 CarbonylContact O-C 3.48Å; I273-R276 PolarHBondContact O-N 2.74Å; I273-R276 VanDerWaalsContact O-N 3.12Å; I273-L277 HydrophobicContact CG2-CD1 3.5Å; I273-L277 VanDerWaalsContact CG2-CD1 3.5Å; I273-L277 HydrophobicContact CG2-CG 3.9Å; I273-L277 VanDerWaalsContact O-CB 3.24Å; I273-L277 WeakPolarHBondContact O-CB 3.44Å; I273-L277 WeakPolarHBondContact O-CG 3.28Å; I273-L277 PolarHBondContact O-N 2.93Å |
| 274 | E | 33 | Very low | 32.1 | Very low | 146 Ų | 146 | 103.1 Ų | 103.1 | 68% | 0.682 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.1 | -39.6 | 169 | -113.7 | -177.5 | 170.9 | 0 | 0 | 110.8 | I271 L277 S278 | I271-E274 PolarHBondContact O-N 2.8Å; E274-L277 PolarHBondContact O-N 3.37Å; E274-S278 VanDerWaalsContact O-CB 3.24Å; E274-S278 WeakPolarHBondContact O-CB 3.2Å; E274-S278 PolarHBondContact O-N 3.04Å; E274-S278 PolarHBondContact O-OG 3.13Å |
| 275 | Q | 35.8 | Very low | 31.7 | Very low | 124 Ų | 124 | 103 Ų | 103 | 58% | 0.579 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.3 | -34.6 | 171.9 | -76.1 | -177.4 | -10.5 | 0 | 0 | 113.4 | I271 I273 S278 | I271-Q275 HydrophobicContact CG2-CG 4.16Å; I271-Q275 WeakPolarHBondContact O-CB 3.28Å; I271-Q275 WeakPolarHBondContact O-CG 3.3Å; I271-Q275 PolarHBondContact O-N 3.39Å; I273-Q275 VanDerWaalsContact C-N 3.26Å; I273-Q275 PolarHBondContact O-N 2.84Å; Q275-S278 WeakPolarHBondContact CA-OG 3.31Å |
| 276 | R | 34 | Very low | 31.3 | Very low | 167 Ų | 167 | 106.4 Ų | 106.4 | 63% | 0.63 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -75.5 | -27.4 | 174.7 | -78.7 | 169.2 | 179 | -155.2 | -0.9 | 113.4 | D272 I273 | D272-R276 VanDerWaalsContact O-CB 3.27Å; D272-R276 WeakPolarHBondContact O-CB 3.45Å; D272-R276 WeakPolarHBondContact O-CD 3.26Å; D272-R276 WeakPolarHBondContact O-CG 3.48Å; D272-R276 PolarHBondContact O-N 2.93Å; I273-R276 CarbonylContact O-C 3.48Å; I273-R276 PolarHBondContact O-N 2.74Å; I273-R276 VanDerWaalsContact O-N 3.12Å |
| 277 | L | 33.7 | Very low | 31 | Very low | 29 Ų | 29 | 112.5 Ų | 112.5 | 15% | 0.152 | 60% | 0.597 | C | S | . | * | H | α-helix | trans | -91.5 | -30.2 | -178.9 | -69.8 | 175.1 | 0 | 0 | 0 | 112.4 | L111 K242 I273 E274 L279 | L111-L277 HydrophobicContact CD2-CD1 3.39Å; L111-L277 HydrophobicContact CD2-CD2 3.31Å; L111-L277 HydrophobicContact CD2-CG 3.96Å; L111-L277 HydrophobicContact CG-CD2 3.99Å; K242-L277 WeakPolarHBondContact CE-O 3.43Å; K242-L277 PolarHBondContact NZ-O 3Å; I273-L277 HydrophobicContact CG2-CD1 3.5Å; I273-L277 VanDerWaalsContact CG2-CD1 3.5Å; I273-L277 HydrophobicContact CG2-CG 3.9Å; I273-L277 VanDerWaalsContact O-CB 3.24Å; I273-L277 WeakPolarHBondContact O-CB 3.44Å; I273-L277 WeakPolarHBondContact O-CG 3.28Å; I273-L277 PolarHBondContact O-N 2.93Å; E274-L277 PolarHBondContact O-N 3.37Å; L277-L279 PolarHBondContact O-N 3.43Å |
| 278 | S | 36.9 | Very low | 30.8 | Very low | 69 Ų | 69 | 111 Ų | 111 | 48% | 0.483 | 60% | 0.596 | S | S | . | * | trans | -74.3 | 74.7 | 163.6 | 57.3 | 0 | 0 | 0 | 0 | 108.7 | E274 Q275 Q280 | E274-S278 VanDerWaalsContact O-CB 3.24Å; E274-S278 WeakPolarHBondContact O-CB 3.2Å; E274-S278 PolarHBondContact O-N 3.04Å; E274-S278 PolarHBondContact O-OG 3.13Å; Q275-S278 WeakPolarHBondContact CA-OG 3.31Å; S278-Q280 PolarHBondContact O-N 2.67Å | ||
| 279 | L | 35.1 | Very low | 30.6 | Very low | 125 Ų | 125 | 120.4 Ų | 120.4 | 65% | 0.654 | 62% | 0.62 | S | S | * | * | trans | -64.5 | 54.6 | 166.4 | -81.1 | 156.8 | 0 | 0 | 0 | 111 | L277 E281 | L277-L279 PolarHBondContact O-N 3.43Å; L279-E281 VanDerWaalsContact C-N 3.34Å | ||
| 280 | Q | 31.6 | Very low | 30.1 | Very low | 182 Ų | 182 | 127.1 Ų | 127.1 | 85% | 0.85 | 65% | 0.649 | S | S | * | * | trans | -88 | -0.5 | 166.4 | -99.1 | -164 | -17.6 | 0 | 0 | 112.9 | S278 | S278-Q280 PolarHBondContact O-N 2.67Š| ||
| 281 | E | 26.6 | Very low | 29.8 | Very low | 179 Ų | 179 | 129.8 Ų | 129.8 | 84% | 0.836 | 67% | 0.669 | S | S | * | * | trans | -113.9 | 82.6 | 164.5 | -74.3 | -176 | 170.6 | 0 | 0 | 110.2 | L279 T283 | L279-E281 VanDerWaalsContact C-N 3.34Å; E281-T283 PolarHBondContact O-N 3.34Å | ||
| 282 | S | 27.4 | Very low | 29.2 | Very low | 102 Ų | 102 | 133.4 Ų | 133.4 | 71% | 0.713 | 68% | 0.684 | S | S | * | * | trans | -60.2 | 118.4 | 144.3 | 52.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 283 | T | 24.2 | Very low | 28.9 | Very low | 123 Ų | 123 | 137 Ų | 137 | 76% | 0.755 | 70% | 0.702 | S | S | * | * | trans | 150.4 | 127.1 | 136.5 | 48.9 | 0 | 0 | 0 | 0 | 111.8 | E281 | E281-T283 PolarHBondContact O-N 3.34Š| ||
| 284 | S | 25.4 | Very low | 28.2 | Very low | 94 Ų | 94 | 139.4 Ų | 139.4 | 66% | 0.657 | 72% | 0.723 | S | S | * | * | trans | 59.8 | 116.4 | 147 | 60.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 285 | T | 25.6 | Very low | 27.7 | Very low | 128 Ų | 128 | 139.1 Ų | 139.1 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | trans | 52.2 | 94.3 | 145 | 55 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 286 | I | 26.2 | Very low | 27.1 | Very low | 171 Ų | 171 | 144.3 Ų | 144.3 | 88% | 0.877 | 74% | 0.74 | S | S | * | * | trans | -125.8 | 91.7 | 152.3 | -56.4 | 178.3 | 0 | 0 | 0 | 108.7 | ||||
| 287 | H | 24.3 | Very low | 26.7 | Very low | 166 Ų | 166 | 143.8 Ų | 143.8 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 144.5 | 156.7 | -86.2 | -66.3 | 0 | 0 | 0 | 109.7 | R289 | H287-R289 PolarHBondContact O-N 3.08Š|
| 288 | P | 26.2 | Very low | 26.1 | Very low | 114 Ų | 114 | 150.6 Ų | 150.6 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -59 | 127 | 170.1 | 25.2 | -31.2 | 0 | 0 | 0 | 108.9 | K290 | P288-K290 PolarHBondContact O-N 3.13Å; P288-K290 VanDerWaalsContact O-N 3.13Å |
| 289 | R | 25.4 | Very low | 25.4 | Very low | 253 Ų | 253 | 153.3 Ų | 153.3 | 96% | 0.955 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -58 | 118.7 | 179.5 | -132.4 | 176.3 | -172.9 | 155.8 | 1.8 | 108.7 | H287 S291 | H287-R289 PolarHBondContact O-N 3.08Å; R289-S291 PolarHBondContact O-N 2.82Å |
| 290 | K | 24 | Very low | 24.9 | Very low | 198 Ų | 198 | 153 Ų | 153 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 126.1 | 172.9 | -75.4 | 178.4 | 175.7 | 177.4 | 0 | 110.3 | P288 Q292 | P288-K290 PolarHBondContact O-N 3.13Å; P288-K290 VanDerWaalsContact O-N 3.13Å; K290-Q292 PolarHBondContact O-N 2.96Å |
| 291 | S | 25.2 | Very low | 24.4 | Very low | 120 Ų | 120 | 151.8 Ų | 151.8 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | trans | -69.9 | 90 | 166.8 | 56.2 | 0 | 0 | 0 | 0 | 110.3 | R289 | R289-S291 PolarHBondContact O-N 2.82Š| ||
| 292 | Q | 23.7 | Very low | 24.3 | Very low | 173 Ų | 173 | 152.6 Ų | 152.6 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | trans | -144.7 | 98.1 | 161 | -77.2 | -161.2 | -23.6 | 0 | 0 | 109.6 | K290 | K290-Q292 PolarHBondContact O-N 2.96Š| ||
| 293 | L | 26 | Very low | 24.1 | Very low | 170 Ų | 170 | 156.6 Ų | 156.6 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | trans | -164.5 | 84.6 | 150.2 | -108.1 | 141.6 | 0 | 0 | 0 | 109.6 | ||||
| 294 | S | 22.4 | Very low | 24.1 | Very low | 95 Ų | 95 | 162 Ų | 162 | 66% | 0.664 | 82% | 0.815 | S | S | * | * | trans | -57.3 | 145.5 | 144.7 | 46 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 295 | N | 22.6 | Very low | 23.8 | Very low | 140 Ų | 140 | 163.7 Ų | 163.7 | 75% | 0.749 | 82% | 0.822 | S | S | * | * | trans | 101.5 | 122.2 | 157.5 | -62.9 | -24.5 | 0 | 0 | 0 | 119.6 | ||||
| 296 | R | 23.3 | Very low | 23.8 | Very low | 232 Ų | 232 | 166 Ų | 166 | 88% | 0.875 | 83% | 0.828 | S | S | * | * | trans | 80.5 | 119.6 | 153.2 | -71.1 | 175.1 | 166.8 | -169.2 | -5 | 115.2 | ||||
| 297 | L | 24.7 | Very low | 23.5 | Very low | 157 Ų | 157 | 162.5 Ų | 162.5 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | cis | -162.5 | 125.1 | 42.2 | -98 | 120.9 | 0 | 0 | 0 | 108 | ||||
| 298 | Q | 20.5 | Very low | 23.5 | Very low | 172 Ų | 172 | 159.6 Ų | 159.6 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | 30.1 | 124.1 | 80.9 | -80.6 | -166.7 | -5.9 | 0 | 0 | 113.2 | |||||
| 299 | T | 22.3 | Very low | 23.3 | Very low | 125 Ų | 125 | 161.2 Ų | 161.2 | 77% | 0.767 | 82% | 0.819 | S | S | * | * | cis | -175.9 | 150.4 | 16 | 30 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 300 | S | 25.5 | Very low | 23.2 | Very low | 120 Ų | 120 | 157.5 Ų | 157.5 | 84% | 0.839 | 82% | 0.818 | S | S | * | * | trans | -178.4 | 119 | 130.7 | 59.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 301 | N | 21.8 | Very low | 23.4 | Very low | 156 Ų | 156 | 151 Ų | 151 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | -53.3 | 141.8 | 168 | -66.3 | -45 | 0 | 0 | 0 | 113.9 | ||||
| 302 | K | 24.6 | Very low | 23.2 | Very low | 196 Ų | 196 | 150.2 Ų | 150.2 | 85% | 0.852 | 79% | 0.792 | S | S | * | * | 177.9 | 120.7 | 116.4 | -99.4 | 170.2 | -179 | 176.5 | 0 | 112.9 | |||||
| 303 | K | 21.8 | Very low | 23.4 | Very low | 185 Ų | 185 | 149 Ų | 149 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | 29.9 | 111.8 | 139 | -67.5 | 179.8 | 174.1 | -177.4 | 0 | 117.9 | ||||
| 304 | Y | 23.9 | Very low | 23.2 | Very low | 236 Ų | 236 | 148.5 Ų | 148.5 | 93% | 0.925 | 78% | 0.782 | S | S | * | * | -149.8 | 117 | 107.7 | -86.8 | -75.6 | 0 | 0 | 0 | 109.7 | |||||
| 305 | T | 20.8 | Very low | 23.3 | Very low | 131 Ų | 131 | 148.6 Ų | 148.6 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -64.4 | 128.3 | 157.5 | 32.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 306 | L | 23.8 | Very low | 23.4 | Very low | 175 Ų | 175 | 146.6 Ų | 146.6 | 92% | 0.916 | 78% | 0.775 | S | S | * | * | trans | -142.9 | 120.4 | 137.9 | -114.1 | 138.8 | 0 | 0 | 0 | 108.2 | ||||
| 307 | S | 20.6 | Very low | 23.4 | Very low | 99 Ų | 99 | 141.2 Ų | 141.2 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | trans | -72.4 | 158.3 | -170.5 | 41.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 308 | S | 23.6 | Very low | 23.4 | Very low | 104 Ų | 104 | 142.8 Ų | 142.8 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | 61.5 | 89.5 | 152 | 66.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 309 | I | 23.3 | Very low | 23.7 | Very low | 149 Ų | 149 | 137.5 Ų | 137.5 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | trans | -133 | 112.3 | 132.8 | -59.9 | -178.4 | 0 | 0 | 0 | 107.1 | S311 | I309-S311 PolarHBondContact O-N 2.86Š| ||
| 310 | N | 23.3 | Very low | 24 | Very low | 174 Ų | 174 | 141.3 Ų | 141.3 | 93% | 0.93 | 77% | 0.77 | S | S | * | * | trans | -66 | 96 | 165.9 | -76.7 | -22.8 | 0 | 0 | 0 | 107.9 | ||||
| 311 | S | 27.1 | Very low | 24.2 | Very low | 61 Ų | 61 | 141.5 Ų | 141.5 | 43% | 0.427 | 76% | 0.761 | S | S | . | * | trans | -136.4 | 116.3 | 159.4 | 58.5 | 0 | 0 | 0 | 0 | 107.1 | I309 N313 | I309-S311 PolarHBondContact O-N 2.86Å; S311-N313 PolarHBondContact O-N 3.1Å | ||
| 312 | S | 22.6 | Very low | 24.8 | Very low | 105 Ų | 105 | 141.8 Ų | 141.8 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | trans | -46.6 | 103.6 | 174.1 | 47.3 | 0 | 0 | 0 | 0 | 110.6 | F314 | S312-F314 VanDerWaalsContact C-N 3.28Å; S312-F314 PolarHBondContact O-N 3.27Å | ||
| 313 | N | 27 | Very low | 25.1 | Very low | 147 Ų | 147 | 136.9 Ų | 136.9 | 79% | 0.786 | 74% | 0.744 | S | S | * | * | trans | -68.2 | 88.6 | 170.3 | -76.2 | -26.3 | 0 | 0 | 0 | 108.3 | S311 S315 | S311-N313 PolarHBondContact O-N 3.1Å; N313-S315 PolarHBondContact O-N 3.46Å | ||
| 314 | F | 22.4 | Very low | 25.7 | Very low | 159 Ų | 159 | 134.1 Ų | 134.1 | 70% | 0.697 | 73% | 0.734 | S | S | * | * | trans | -74.4 | 83.4 | 158.7 | -96.6 | -84.6 | 0 | 0 | 0 | 107.7 | S312 | S312-F314 VanDerWaalsContact C-N 3.28Å; S312-F314 PolarHBondContact O-N 3.27Å | ||
| 315 | S | 24.9 | Very low | 26.2 | Very low | 97 Ų | 97 | 129 Ų | 129 | 68% | 0.678 | 72% | 0.721 | S | S | * | * | trans | -86.4 | 100.2 | 162 | 64.4 | 0 | 0 | 0 | 0 | 108 | N313 | N313-S315 PolarHBondContact O-N 3.46Š| ||
| 316 | T | 24 | Very low | 27.1 | Very low | 98 Ų | 98 | 128.2 Ų | 128.2 | 60% | 0.601 | 71% | 0.711 | S | S | * | * | trans | -96 | 119.1 | 166.1 | 45.7 | 0 | 0 | 0 | 0 | 108.4 | F318 | T316-F318 PolarHBondContact O-N 2.8Š| ||
| 317 | T | 23.3 | Very low | 27.6 | Very low | 119 Ų | 119 | 123.9 Ų | 123.9 | 73% | 0.73 | 69% | 0.693 | S | S | * | * | trans | -77.6 | 116 | 174.1 | 43.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 318 | F | 23.4 | Very low | 28.4 | Very low | 191 Ų | 191 | 124.8 Ų | 124.8 | 84% | 0.838 | 70% | 0.695 | S | S | * | * | B | Isolated β-bridge | trans | -111.7 | 96 | 166.5 | -137.3 | -88.5 | 0 | 0 | 0 | 107.5 | T316 | T316-F318 PolarHBondContact O-N 2.8Å |
| 319 | G | 28.2 | Very low | 29.3 | Very low | 61 Ų | 61 | 123 Ų | 123 | 63% | 0.629 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.4 | -170.9 | -169.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | N321 | G319-N321 PolarHBondContact O-N 3.39Š|
| 320 | Q | 28.2 | Very low | 29.8 | Very low | 204 Ų | 204 | 123 Ų | 123 | 95% | 0.953 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | 5.1 | -176.9 | -77.7 | 178.9 | -17.3 | 0 | 0 | 115.3 | ||
| 321 | N | 30.4 | Very low | 30.4 | Very low | 124 Ų | 124 | 121.7 Ų | 121.7 | 66% | 0.663 | 67% | 0.667 | S | S | * | * | B | Isolated β-bridge | trans | -98.6 | 118.9 | -177.7 | -71.2 | -19.9 | 0 | 0 | 0 | 111.2 | G319 V323 | G319-N321 PolarHBondContact O-N 3.39Å; N321-V323 PolarHBondContact O-N 3.48Å |
| 322 | Q | 33 | Very low | 30.8 | Very low | 162 Ų | 162 | 126.8 Ų | 126.8 | 76% | 0.757 | 69% | 0.688 | S | S | * | * | trans | -75 | 112.8 | 173.3 | -74.2 | 177.6 | -14.8 | 0 | 0 | 109.8 | ||||
| 323 | V | 30.6 | Very low | 31.6 | Very low | 93 Ų | 93 | 126.5 Ų | 126.5 | 56% | 0.564 | 68% | 0.684 | S | S | * | * | trans | -83.2 | 118.4 | 170.3 | -179.4 | 0 | 0 | 0 | 0 | 108.4 | N321 I325 | N321-V323 PolarHBondContact O-N 3.48Å; V323-I325 HydrophobicContact CG1-CG1 4.33Å | ||
| 324 | H | 35.8 | Very low | 32.6 | Very low | 128 Ų | 128 | 123.4 Ų | 123.4 | 59% | 0.593 | 67% | 0.667 | S | S | * | * | trans | -100.3 | 111.4 | 173 | -79.9 | -76.1 | 0 | 0 | 0 | 109.6 | ||||
| 325 | I | 35 | Very low | 33.6 | Very low | 129 Ų | 129 | 120.5 Ų | 120.5 | 66% | 0.662 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 119.5 | 172.3 | -57.4 | 172.7 | 0 | 0 | 0 | 107.4 | V323 | V323-I325 HydrophobicContact CG1-CG1 4.33Š|
| 326 | L | 38.8 | Very low | 34.5 | Very low | 113 Ų | 113 | 124.8 Ų | 124.8 | 59% | 0.592 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 135.1 | 177.2 | -74.7 | 155.9 | 0 | 0 | 0 | 109.4 | L338 | L326-L338 HydrophobicContact CD1-CD1 4.01Š|
| 327 | P | 34.7 | Very low | 35.6 | Very low | 84 Ų | 84 | 127.5 Ų | 127.5 | 55% | 0.545 | 66% | 0.661 | S | S | . | * | P | Polyproline II helix | trans | -66.2 | 147.3 | 179.5 | 26 | -32 | 0 | 0 | 0 | 111.5 | I329 | P327-I329 PolarHBondContact O-N 3.34Š|
| 328 | T | 36.3 | Very low | 36.9 | Very low | 119 Ų | 119 | 123.5 Ų | 123.5 | 73% | 0.73 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 130.6 | 178.5 | 25 | 0 | 0 | 0 | 0 | 111.7 | ||
| 329 | I | 42.2 | Very low | 38.2 | Very low | 66 Ų | 66 | 115.6 Ų | 115.6 | 34% | 0.338 | 60% | 0.603 | S | S | . | * | trans | -99.3 | 101.8 | -166.8 | -53.9 | 171.1 | 0 | 0 | 0 | 109.5 | P327 I334 L338 | P327-I329 PolarHBondContact O-N 3.34Å; I329-I334 HydrophobicContact CG2-CB 4.44Å; I329-L338 HydrophobicContact CD1-CD1 4.01Å | ||
| 330 | N | 34.6 | Very low | 39.4 | Very low | 150 Ų | 150 | 117.4 Ų | 117.4 | 80% | 0.802 | 60% | 0.599 | S | S | * | * | trans | -102.4 | 1.2 | 170.6 | -85.6 | -8.5 | 0 | 0 | 0 | 114.1 | ||||
| 331 | E | 35.5 | Very low | 40.6 | Very low | 145 Ų | 145 | 111.5 Ų | 111.5 | 68% | 0.678 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -129.9 | 128.6 | -175.7 | -68 | -173.9 | 173.2 | 0 | 0 | 113.7 | P333 | E331-P333 WeakPolarHBondContact O-CD 3.43Š|
| 332 | L | 36.6 | Very low | 41.7 | Very low | 168 Ų | 168 | 106.5 Ų | 106.5 | 88% | 0.88 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -4.4 | -165.9 | -112.5 | 82.2 | 0 | 0 | 0 | 119.4 | ||
| 333 | P | 39.8 | Very low | 42.6 | Very low | 100 Ų | 100 | 103.6 Ų | 103.6 | 65% | 0.649 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -7.9 | 174.6 | 15.6 | -1.5 | 0 | 0 | 0 | 114.4 | E331 H335 | E331-P333 WeakPolarHBondContact O-CD 3.43Å; P333-H335 VanDerWaalsContact C-N 3.33Å; P333-H335 PolarHBondContact O-N 3Å |
| 334 | I | 46.3 | Very low | 43.6 | Very low | 82 Ų | 82 | 103.8 Ų | 103.8 | 42% | 0.421 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -15.5 | -174 | -58.8 | 170.4 | 0 | 0 | 0 | 112.3 | I329 Y336 K337 L338 | I329-I334 HydrophobicContact CG2-CB 4.44Å; I334-Y336 VanDerWaalsContact C-N 3.28Å; I334-Y336 PolarHBondContact O-N 2.82Å; I334-K337 PolarHBondContact O-N 3.4Å; I334-L338 PolarHBondContact O-N 3.4Å |
| 335 | H | 44.2 | Very low | 44.2 | Very low | 97 Ų | 97 | 100.9 Ų | 100.9 | 45% | 0.449 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57.3 | -37.9 | -177.2 | -147.6 | -65.7 | 0 | 0 | 0 | 113 | P333 C339 | P333-H335 VanDerWaalsContact C-N 3.33Å; P333-H335 PolarHBondContact O-N 3Å; H335-C339 WeakPolarHBondContact O-CB 3.34Å; H335-C339 PolarHBondContact O-N 3.3Å; H335-C339 PolarHBondContact O-SG 2.91Å |
| 336 | Y | 43.2 | Very low | 44.9 | Very low | 188 Ų | 188 | 99.6 Ų | 99.6 | 74% | 0.737 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -71.2 | -39.4 | 179.5 | -72.6 | -78 | 0 | 0 | 0 | 113.2 | I334 C339 D340 | I334-Y336 VanDerWaalsContact C-N 3.28Å; I334-Y336 PolarHBondContact O-N 2.82Å; Y336-C339 PolarHBondContact O-N 3.36Å; Y336-D340 PolarHBondContact O-N 2.85Å |
| 337 | K | 48.1 | Very low | 45.4 | Very low | 154 Ų | 154 | 102.5 Ų | 102.5 | 67% | 0.67 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.9 | -39.1 | 175.4 | -80.5 | -177.2 | 177.6 | 176.1 | 0 | 111.5 | I334 D340 I341 | I334-K337 PolarHBondContact O-N 3.4Å; K337-D340 PolarHBondContact O-N 3.12Å; K337-I341 WeakPolarHBondContact O-CB 3.26Å; K337-I341 WeakPolarHBondContact O-CD1 3.25Å; K337-I341 WeakPolarHBondContact O-CG1 3.04Å; K337-I341 PolarHBondContact O-N 3.43Å |
| 338 | L | 50.5 | Low | 45.8 | Very low | 35 Ų | 35 | 105.3 Ų | 105.3 | 18% | 0.183 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -63.1 | -45 | 175.7 | -155.9 | 100.5 | 0 | 0 | 0 | 110.8 | L326 I329 I334 D340 I341 L342 | L326-L338 HydrophobicContact CD1-CD1 4.01Å; I329-L338 HydrophobicContact CD1-CD1 4.01Å; I334-L338 PolarHBondContact O-N 3.4Å; L338-D340 PolarHBondContact O-N 2.66Å; L338-I341 PolarHBondContact O-N 2.62Å; L338-L342 HydrophobicContact CD2-CD1 3.84Å; L338-L342 HydrophobicContact CG-CD1 4.12Å; L338-L342 WeakPolarHBondContact O-CB 3.43Å; L338-L342 WeakPolarHBondContact O-CD1 3.48Å; L338-L342 WeakPolarHBondContact O-CG 3.43Å; L338-L342 PolarHBondContact O-N 2.77Å |
| 339 | C | 50.1 | Low | 45.9 | Very low | 26 Ų | 26 | 108.8 Ų | 108.8 | 18% | 0.176 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -61.3 | -41.1 | 175.7 | -73.3 | 0 | 0 | 0 | 0 | 112.9 | H335 Y336 L342 K343 | H335-C339 WeakPolarHBondContact O-CB 3.34Å; H335-C339 PolarHBondContact O-N 3.3Å; H335-C339 PolarHBondContact O-SG 2.91Å; Y336-C339 PolarHBondContact O-N 3.36Å; C339-L342 PolarHBondContact O-N 2.97Å; C339-K343 VanDerWaalsContact O-CB 3.3Å; C339-K343 WeakPolarHBondContact O-CB 3.46Å; C339-K343 WeakPolarHBondContact O-CG 3.43Å; C339-K343 PolarHBondContact O-N 2.78Å |
| 340 | D | 53.4 | Low | 45.6 | Very low | 99 Ų | 99 | 113.3 Ų | 113.3 | 53% | 0.529 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.8 | -39 | 177.4 | -80.6 | -20.6 | 0 | 0 | 0 | 112.7 | Y336 K337 L338 K343 N344 | Y336-D340 PolarHBondContact O-N 2.85Å; K337-D340 PolarHBondContact O-N 3.12Å; L338-D340 PolarHBondContact O-N 2.66Å; D340-K343 PolarHBondContact O-N 2.75Å; D340-N344 WeakPolarHBondContact O-CB 3.44Å; D340-N344 PolarHBondContact O-N 3.42Å |
| 341 | I | 53.7 | Low | 45.8 | Very low | 80 Ų | 80 | 110.3 Ų | 110.3 | 41% | 0.41 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.2 | -50.4 | 174.4 | -70.9 | 166.8 | 0 | 0 | 0 | 109.3 | K337 L338 K343 N344 Y345 | K337-I341 WeakPolarHBondContact O-CB 3.26Å; K337-I341 WeakPolarHBondContact O-CD1 3.25Å; K337-I341 WeakPolarHBondContact O-CG1 3.04Å; K337-I341 PolarHBondContact O-N 3.43Å; L338-I341 PolarHBondContact O-N 2.62Å; I341-K343 PolarHBondContact O-N 2.79Å; I341-N344 PolarHBondContact O-N 2.84Å; I341-Y345 HydrophobicContact CG2-CD2 3.54Å; I341-Y345 HydrophobicContact CG2-CE2 3.4Å; I341-Y345 WeakPolarHBondContact O-CB 3.14Å; I341-Y345 WeakPolarHBondContact O-CD2 3.28Å; I341-Y345 PolarHBondContact O-N 3.28Å |
| 342 | L | 52.5 | Low | 45.9 | Very low | 19 Ų | 19 | 107 Ų | 107 | 10% | 0.099 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -62.3 | -41.1 | 177.6 | -70.7 | 167.1 | 0 | 0 | 0 | 112.5 | L338 C339 N344 Y345 L346 F352 F354 F369 | L338-L342 HydrophobicContact CD2-CD1 3.84Å; L338-L342 HydrophobicContact CG-CD1 4.12Å; L338-L342 WeakPolarHBondContact O-CB 3.43Å; L338-L342 WeakPolarHBondContact O-CD1 3.48Å; L338-L342 WeakPolarHBondContact O-CG 3.43Å; L338-L342 PolarHBondContact O-N 2.77Å; C339-L342 PolarHBondContact O-N 2.97Å; L342-N344 PolarHBondContact O-N 3.35Å; L342-Y345 PolarHBondContact O-N 3.43Å; L342-L346 WeakPolarHBondContact O-CB 3.27Å; L342-L346 WeakPolarHBondContact O-CG 3.43Å; L342-L346 PolarHBondContact O-N 3.49Å; L342-F352 HydrophobicContact CD2-CD1 3.81Å; L342-F352 HydrophobicContact CD2-CE1 4.43Å; L342-F352 HydrophobicContact CD2-CG 4.12Å; L342-F354 HydrophobicContact CD1-CE1 4.13Å; L342-F354 HydrophobicContact CD1-CZ 3.7Å; L342-F354 HydrophobicContact CD2-CE1 4.16Å; L342-F354 HydrophobicContact CD2-CE2 4.34Å; L342-F354 HydrophobicContact CD2-CZ 3.5Å; L342-F354 VanDerWaalsContact CD2-CZ 3.5Å; L342-F354 HydrophobicContact CG-CZ 4.26Å; L342-F369 HydrophobicContact CD1-CZ 4.36Å |
| 343 | K | 53.6 | Low | 45.8 | Very low | 100 Ų | 100 | 103.5 Ų | 103.5 | 44% | 0.435 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 174.1 | -86.1 | -179.1 | 176.5 | 176.6 | 0 | 112.1 | C339 D340 I341 Y345 K347 | C339-K343 VanDerWaalsContact O-CB 3.3Å; C339-K343 WeakPolarHBondContact O-CB 3.46Å; C339-K343 WeakPolarHBondContact O-CG 3.43Å; C339-K343 PolarHBondContact O-N 2.78Å; D340-K343 PolarHBondContact O-N 2.75Å; I341-K343 PolarHBondContact O-N 2.79Å; K343-Y345 PolarHBondContact O-N 3.46Å; K343-K347 WeakPolarHBondContact O-CB 3.49Å; K343-K347 WeakPolarHBondContact O-CG 3.36Å; K343-K347 PolarHBondContact O-N 3.34Å |
| 344 | N | 50.1 | Low | 45.6 | Very low | 98 Ų | 98 | 103.3 Ų | 103.3 | 52% | 0.524 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.7 | -31.4 | 177.9 | -91.2 | -24.1 | 0 | 0 | 0 | 112.8 | D340 I341 L342 K348 | D340-N344 WeakPolarHBondContact O-CB 3.44Å; D340-N344 PolarHBondContact O-N 3.42Å; I341-N344 PolarHBondContact O-N 2.84Å; L342-N344 PolarHBondContact O-N 3.35Å; N344-K348 WeakPolarHBondContact O-CG 3.23Å; N344-K348 PolarHBondContact O-N 2.6Å |
| 345 | Y | 48.3 | Very low | 44.8 | Very low | 66 Ų | 66 | 105.8 Ų | 105.8 | 26% | 0.259 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -80.1 | -39 | 179.4 | -88.5 | -57.3 | 0 | 0 | 0 | 113.5 | I341 L342 K343 K347 K348 K349 R350 F352 | I341-Y345 HydrophobicContact CG2-CD2 3.54Å; I341-Y345 HydrophobicContact CG2-CE2 3.4Å; I341-Y345 WeakPolarHBondContact O-CB 3.14Å; I341-Y345 WeakPolarHBondContact O-CD2 3.28Å; I341-Y345 PolarHBondContact O-N 3.28Å; L342-Y345 PolarHBondContact O-N 3.43Å; K343-Y345 PolarHBondContact O-N 3.46Å; Y345-K347 VanDerWaalsContact C-N 3.33Å; Y345-K348 CarbonylContact O-C 3.54Å; Y345-K348 WeakPolarHBondContact O-CA 3.28Å; Y345-K348 PolarHBondContact O-N 3.35Å; Y345-K349 PolarHBondContact O-N 3.44Å; Y345-R350 PolarHBondContact O-N 3.33Å; Y345-F352 HydrophobicContact CD1-CE1 4.21Å; Y345-F352 AromaticContact CD1-CE2 3.9Å; Y345-F352 HydrophobicContact CD1-CE2 3.9Å; Y345-F352 AromaticContact CD1-CZ 3.25Å; Y345-F352 HydrophobicContact CD1-CZ 3.25Å; Y345-F352 AromaticContact CD2-CE1 3.57Å; Y345-F352 HydrophobicContact CD2-CE1 3.57Å; Y345-F352 HydrophobicContact CD2-CE2 4.33Å; Y345-F352 AromaticContact CD2-CZ 3.38Å; Y345-F352 HydrophobicContact CD2-CZ 3.38Å; Y345-F352 AromaticContact CE1-CZ 3.84Å; Y345-F352 HydrophobicContact CE1-CZ 3.84Å; Y345-F352 AromaticContact CE2-CE1 4Å; Y345-F352 HydrophobicContact CE2-CE1 4Å; Y345-F352 AromaticContact CE2-CZ 3.98Å; Y345-F352 HydrophobicContact CE2-CZ 3.98Å; Y345-F352 AromaticContact CG-CE1 3.71Å; Y345-F352 HydrophobicContact CG-CE1 3.71Å; Y345-F352 AromaticContact CG-CE2 3.63Å; Y345-F352 HydrophobicContact CG-CE2 3.63Å; Y345-F352 AromaticContact CG-CZ 2.99Å; Y345-F352 HydrophobicContact CG-CZ 2.99Å |
| 346 | L | 49.6 | Very low | 44.2 | Very low | 103 Ų | 103 | 108.3 Ų | 108.3 | 54% | 0.539 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 168.3 | -77.8 | 165.1 | 0 | 0 | 0 | 111 | L342 K348 K349 L373 | L342-L346 WeakPolarHBondContact O-CB 3.27Å; L342-L346 WeakPolarHBondContact O-CG 3.43Å; L342-L346 PolarHBondContact O-N 3.49Å; L346-K348 PolarHBondContact O-N 2.87Å; L346-K349 PolarHBondContact O-N 2.84Å; L346-L373 HydrophobicContact CD1-CD2 3.97Å |
| 347 | K | 49.2 | Very low | 43.5 | Very low | 173 Ų | 173 | 105.1 Ų | 105.1 | 75% | 0.752 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58.2 | -27.8 | 171.9 | -82.8 | -176.4 | 177 | -178.4 | 0 | 113.5 | K343 Y345 | K343-K347 WeakPolarHBondContact O-CB 3.49Å; K343-K347 WeakPolarHBondContact O-CG 3.36Å; K343-K347 PolarHBondContact O-N 3.34Å; Y345-K347 VanDerWaalsContact C-N 3.33Å |
| 348 | K | 43.9 | Very low | 42.5 | Very low | 144 Ų | 144 | 103.7 Ų | 103.7 | 63% | 0.626 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | 8.7 | 178.4 | -74 | -179.3 | 179 | -178.9 | 0 | 113.7 | N344 Y345 L346 R350 | N344-K348 WeakPolarHBondContact O-CG 3.23Å; N344-K348 PolarHBondContact O-N 2.6Å; Y345-K348 CarbonylContact O-C 3.54Å; Y345-K348 WeakPolarHBondContact O-CA 3.28Å; Y345-K348 PolarHBondContact O-N 3.35Å; L346-K348 PolarHBondContact O-N 2.87Å; K348-R350 HydrophobicContact CB-CG 4.37Å; K348-R350 PolarHBondContact O-N 3.37Å; K348-R350 VanDerWaalsContact O-N 3.13Å |
| 349 | K | 39 | Very low | 41.4 | Very low | 191 Ų | 191 | 110 Ų | 110 | 83% | 0.83 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 34.8 | -176 | -64.4 | -170.5 | 175.7 | -173.2 | 0 | 113.3 | Y345 L346 | Y345-K349 PolarHBondContact O-N 3.44Å; L346-K349 PolarHBondContact O-N 2.84Å |
| 350 | R | 36.1 | Very low | 40.5 | Very low | 161 Ų | 161 | 116.4 Ų | 116.4 | 61% | 0.608 | 56% | 0.556 | S | S | * | * | trans | -94.5 | 137.8 | 174.2 | -69.4 | -172.7 | 175.4 | -174.5 | -3.9 | 109.1 | Y345 K348 F352 | Y345-R350 PolarHBondContact O-N 3.33Å; K348-R350 HydrophobicContact CB-CG 4.37Å; K348-R350 PolarHBondContact O-N 3.37Å; K348-R350 VanDerWaalsContact O-N 3.13Å; R350-F352 HydrophobicContact CB-CE2 4.08Å; R350-F352 VanDerWaalsContact O-CD2 3.27Å; R350-F352 WeakPolarHBondContact O-CD2 3.43Å; R350-F352 WeakPolarHBondContact O-CE2 3.43Å | ||
| 351 | I | 38.6 | Very low | 39.3 | Very low | 88 Ų | 88 | 121.3 Ų | 121.3 | 45% | 0.451 | 58% | 0.575 | S | S | . | * | trans | -75.9 | 139.5 | 179.5 | -63.4 | 161.7 | 0 | 0 | 0 | 109.5 | A268 | A268-I351 HydrophobicContact CB-CG2 4.17Š| ||
| 352 | F | 36.7 | Very low | 38.3 | Very low | 75 Ų | 75 | 125.7 Ų | 125.7 | 33% | 0.329 | 59% | 0.591 | S | S | . | * | trans | -113.8 | 135.2 | 176 | -77.9 | -92 | 0 | 0 | 0 | 110 | L342 Y345 R350 F354 | L342-F352 HydrophobicContact CD2-CD1 3.81Å; L342-F352 HydrophobicContact CD2-CE1 4.43Å; L342-F352 HydrophobicContact CD2-CG 4.12Å; Y345-F352 HydrophobicContact CD1-CE1 4.21Å; Y345-F352 AromaticContact CD1-CE2 3.9Å; Y345-F352 HydrophobicContact CD1-CE2 3.9Å; Y345-F352 AromaticContact CD1-CZ 3.25Å; Y345-F352 HydrophobicContact CD1-CZ 3.25Å; Y345-F352 AromaticContact CD2-CE1 3.57Å; Y345-F352 HydrophobicContact CD2-CE1 3.57Å; Y345-F352 HydrophobicContact CD2-CE2 4.33Å; Y345-F352 AromaticContact CD2-CZ 3.38Å; Y345-F352 HydrophobicContact CD2-CZ 3.38Å; Y345-F352 AromaticContact CE1-CZ 3.84Å; Y345-F352 HydrophobicContact CE1-CZ 3.84Å; Y345-F352 AromaticContact CE2-CE1 4Å; Y345-F352 HydrophobicContact CE2-CE1 4Å; Y345-F352 AromaticContact CE2-CZ 3.98Å; Y345-F352 HydrophobicContact CE2-CZ 3.98Å; Y345-F352 AromaticContact CG-CE1 3.71Å; Y345-F352 HydrophobicContact CG-CE1 3.71Å; Y345-F352 AromaticContact CG-CE2 3.63Å; Y345-F352 HydrophobicContact CG-CE2 3.63Å; Y345-F352 AromaticContact CG-CZ 2.99Å; Y345-F352 HydrophobicContact CG-CZ 2.99Å; R350-F352 HydrophobicContact CB-CE2 4.08Å; R350-F352 VanDerWaalsContact O-CD2 3.27Å; R350-F352 WeakPolarHBondContact O-CD2 3.43Å; R350-F352 WeakPolarHBondContact O-CE2 3.43Å; F352-F354 HydrophobicContact CB-CE2 4.4Å | ||
| 353 | T | 35.2 | Very low | 37.4 | Very low | 95 Ų | 95 | 131.5 Ų | 131.5 | 58% | 0.583 | 63% | 0.628 | S | S | * | * | trans | -112.3 | 120.1 | 167.1 | -53.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 354 | F | 34.8 | Very low | 36.7 | Very low | 95 Ų | 95 | 132.2 Ų | 132.2 | 42% | 0.417 | 63% | 0.631 | S | S | . | * | trans | -91 | 119.4 | 168.9 | -69.4 | -85.8 | 0 | 0 | 0 | 108.1 | W264 L342 F352 | W264-F354 HydrophobicContact CZ3-CD2 4.4Å; L342-F354 HydrophobicContact CD1-CE1 4.13Å; L342-F354 HydrophobicContact CD1-CZ 3.7Å; L342-F354 HydrophobicContact CD2-CE1 4.16Å; L342-F354 HydrophobicContact CD2-CE2 4.34Å; L342-F354 HydrophobicContact CD2-CZ 3.5Å; L342-F354 VanDerWaalsContact CD2-CZ 3.5Å; L342-F354 HydrophobicContact CG-CZ 4.26Å; F352-F354 HydrophobicContact CB-CE2 4.4Å | ||
| 355 | L | 30.6 | Very low | 36.3 | Very low | 134 Ų | 134 | 131.9 Ų | 131.9 | 70% | 0.702 | 63% | 0.63 | S | S | * | * | trans | -102.6 | 97.5 | 167 | -159.1 | 85.4 | 0 | 0 | 0 | 106.7 | I357 | L355-I357 HydrophobicContact CD2-CD1 3.52Å; L355-I357 HydrophobicContact CD2-CG1 3.91Å; L355-I357 HydrophobicContact CG-CD1 4.28Å; L355-I357 HydrophobicContact CG-CG1 4.1Å; L355-I357 PolarHBondContact O-N 2.77Å | ||
| 356 | L | 31.5 | Very low | 36 | Very low | 150 Ų | 150 | 132.3 Ų | 132.3 | 79% | 0.785 | 64% | 0.636 | S | S | * | * | trans | -84 | 104.9 | 173.6 | -85.6 | 153.8 | 0 | 0 | 0 | 108.1 | ||||
| 357 | I | 27.7 | Very low | 35.4 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 63% | 0.626 | 65% | 0.647 | S | S | * | * | trans | -108.4 | 86.3 | 171.1 | -56.2 | 172.4 | 0 | 0 | 0 | 106.6 | L355 | L355-I357 HydrophobicContact CD2-CD1 3.52Å; L355-I357 HydrophobicContact CD2-CG1 3.91Å; L355-I357 HydrophobicContact CG-CD1 4.28Å; L355-I357 HydrophobicContact CG-CG1 4.1Å; L355-I357 PolarHBondContact O-N 2.77Å | ||
| 358 | D | 27 | Very low | 35.2 | Very low | 124 Ų | 124 | 132.2 Ų | 132.2 | 66% | 0.663 | 63% | 0.634 | S | S | * | * | S | Bend | trans | 176.6 | 156.1 | 143 | -111.9 | -29.9 | 0 | 0 | 0 | 113.6 | W360 | D358-W360 PolarHBondContact O-N 2.7Å; D358-W360 VanDerWaalsContact O-N 3.16Å |
| 359 | N | 27.4 | Very low | 35.2 | Very low | 166 Ų | 166 | 127.1 Ų | 127.1 | 89% | 0.888 | 61% | 0.612 | S | S | * | * | trans | -64.6 | 103.3 | 175.1 | -88.8 | -14.3 | 0 | 0 | 0 | 111.5 | ||||
| 360 | W | 32.2 | Very low | 35.2 | Very low | 162 Ų | 162 | 123.6 Ų | 123.6 | 61% | 0.614 | 59% | 0.594 | S | S | * | * | trans | -101.2 | 101.4 | 172.3 | -83.8 | 51.8 | 0 | 0 | 0 | 110.6 | D358 K362 | D358-W360 PolarHBondContact O-N 2.7Å; D358-W360 VanDerWaalsContact O-N 3.16Å; W360-K362 PolarHBondContact O-N 3.14Å; W360-K362 VanDerWaalsContact O-N 3.11Å | ||
| 361 | E | 27.4 | Very low | 35.5 | Very low | 202 Ų | 202 | 120.3 Ų | 120.3 | 94% | 0.944 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -69.5 | 7.7 | 168.1 | -110.7 | -178.7 | 176.5 | 0 | 0 | 113.5 | ||
| 362 | K | 32.6 | Very low | 35.8 | Very low | 171 Ų | 171 | 119.4 Ų | 119.4 | 74% | 0.743 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -125.5 | 112.5 | 174.9 | -71.7 | -176.7 | 179.6 | 176.2 | 0 | 109.5 | W360 F364 | W360-K362 PolarHBondContact O-N 3.14Å; W360-K362 VanDerWaalsContact O-N 3.11Å; K362-F364 PolarHBondContact O-N 2.72Å; K362-F364 VanDerWaalsContact O-N 3.09Å |
| 363 | T | 33.2 | Very low | 36 | Very low | 142 Ų | 142 | 118.7 Ų | 118.7 | 87% | 0.871 | 60% | 0.597 | S | S | * | * | trans | -41.9 | 106.6 | 178.6 | 33 | 0 | 0 | 0 | 0 | 112.5 | D365 | T363-D365 PolarHBondContact O-N 2.96Å; T363-D365 VanDerWaalsContact O-N 3.12Å | ||
| 364 | F | 39.8 | Very low | 35.9 | Very low | 114 Ų | 114 | 116.4 Ų | 116.4 | 50% | 0.5 | 59% | 0.592 | S | S | . | * | trans | -70.7 | 100 | 162.3 | -169.7 | -94.2 | 0 | 0 | 0 | 107.4 | K362 L366 F369 | K362-F364 PolarHBondContact O-N 2.72Å; K362-F364 VanDerWaalsContact O-N 3.09Å; F364-L366 HydrophobicContact CD1-CG 4.24Å; F364-L366 HydrophobicContact CE1-CD2 4.49Å; F364-L366 PolarHBondContact O-N 3.09Å; F364-F369 HydrophobicContact CE1-CB 4.44Å; F364-F369 HydrophobicContact CZ-CD2 4.49Å | ||
| 365 | D | 41.2 | Very low | 35.6 | Very low | 92 Ų | 92 | 118 Ų | 118 | 49% | 0.492 | 61% | 0.61 | S | S | . | * | trans | -74.8 | 92.1 | -179.4 | -170.9 | 3.6 | 0 | 0 | 0 | 110.3 | T363 R367 S368 F369 | T363-D365 PolarHBondContact O-N 2.96Å; T363-D365 VanDerWaalsContact O-N 3.12Å; D365-R367 PolarHBondContact O-N 2.89Å; D365-R367 VanDerWaalsContact O-N 3.12Å; D365-R367 WeakPolarHBondContact OD1-CB 3.31Å; D365-R367 PolarHBondContact OD1-N 2.68Å; D365-R367 VanDerWaalsContact OD1-N 3.09Å; D365-S368 WeakPolarHBondContact O-CB 3.26Å; D365-S368 PolarHBondContact O-N 2.83Å; D365-S368 PolarHBondContact O-OG 3.12Å; D365-F369 PolarHBondContact O-N 3.33Å | ||
| 366 | L | 42.2 | Very low | 35.6 | Very low | 75 Ų | 75 | 122.6 Ų | 122.6 | 39% | 0.393 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -50.6 | -30.5 | 174.3 | -84.8 | 152.8 | 0 | 0 | 0 | 112.1 | F364 S368 F369 Y370 | F364-L366 HydrophobicContact CD1-CG 4.24Å; F364-L366 HydrophobicContact CE1-CD2 4.49Å; F364-L366 PolarHBondContact O-N 3.09Å; L366-S368 PolarHBondContact O-N 2.91Å; L366-F369 PolarHBondContact O-N 2.89Å; L366-Y370 HydrophobicContact CD2-CE2 4Å; L366-Y370 WeakPolarHBondContact O-CD2 2.93Å; L366-Y370 PolarHBondContact O-N 2.83Å |
| 367 | R | 37.5 | Very low | 35.5 | Very low | 207 Ų | 207 | 126.2 Ų | 126.2 | 78% | 0.781 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -65.7 | -37.8 | 176.4 | -82.2 | -178.3 | 170.6 | -178.2 | -1.4 | 112.6 | D365 F369 S371 | D365-R367 PolarHBondContact O-N 2.89Å; D365-R367 VanDerWaalsContact O-N 3.12Å; D365-R367 WeakPolarHBondContact OD1-CB 3.31Å; D365-R367 PolarHBondContact OD1-N 2.68Å; D365-R367 VanDerWaalsContact OD1-N 3.09Å; R367-F369 VanDerWaalsContact C-N 3.29Å; R367-F369 PolarHBondContact O-N 2.81Å; R367-S371 WeakPolarHBondContact O-CB 3.29Å; R367-S371 PolarHBondContact O-N 2.85Å; R367-S371 PolarHBondContact O-OG 2.76Å |
| 368 | S | 44.9 | Very low | 35.8 | Very low | 67 Ų | 67 | 126.4 Ų | 126.4 | 47% | 0.469 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -67.1 | -34.2 | 176.7 | 77.9 | 0 | 0 | 0 | 0 | 111.9 | D365 L366 S371 S372 | D365-S368 WeakPolarHBondContact O-CB 3.26Å; D365-S368 PolarHBondContact O-N 2.83Å; D365-S368 PolarHBondContact O-OG 3.12Å; L366-S368 PolarHBondContact O-N 2.91Å; S368-S371 PolarHBondContact O-OG 3.1Å; S368-S371 VanDerWaalsContact O-OG 3.09Å; S368-S372 WeakPolarHBondContact O-CB 3.21Å; S368-S372 PolarHBondContact O-N 3.41Å; S368-S372 VanDerWaalsContact O-N 3.09Å |
| 369 | F | 43.6 | Very low | 36.3 | Very low | 37 Ų | 37 | 126.5 Ų | 126.5 | 16% | 0.162 | 64% | 0.639 | C | S | . | * | H | α-helix | trans | -68.8 | -47.6 | 176.9 | -175.8 | -102.5 | 0 | 0 | 0 | 111.3 | L342 F364 D365 L366 R367 S372 L373 | L342-F369 HydrophobicContact CD1-CZ 4.36Å; F364-F369 HydrophobicContact CE1-CB 4.44Å; F364-F369 HydrophobicContact CZ-CD2 4.49Å; D365-F369 PolarHBondContact O-N 3.33Å; L366-F369 PolarHBondContact O-N 2.89Å; R367-F369 VanDerWaalsContact C-N 3.29Å; R367-F369 PolarHBondContact O-N 2.81Å; F369-S372 PolarHBondContact O-N 2.77Å; F369-S372 PolarHBondContact O-OG 2.83Å; F369-L373 HydrophobicContact CD1-CD1 3.85Å; F369-L373 HydrophobicContact CE1-CD1 3.53Å; F369-L373 HydrophobicContact CZ-CD1 4.03Å; F369-L373 PolarHBondContact O-N 3.28Å |
| 370 | Y | 39.8 | Very low | 36.8 | Very low | 116 Ų | 116 | 124.3 Ų | 124.3 | 46% | 0.455 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -67.7 | -34.1 | 176.3 | -77.4 | -68.1 | 0 | 0 | 0 | 113.4 | W264 L366 S372 L373 | W264-Y370 WeakPolarHBondContact CH2-OH 3.16Å; W264-Y370 WeakPolarHBondContact CZ2-OH 3.44Å; L366-Y370 HydrophobicContact CD2-CE2 4Å; L366-Y370 WeakPolarHBondContact O-CD2 2.93Å; L366-Y370 PolarHBondContact O-N 2.83Å; Y370-S372 VanDerWaalsContact C-N 3.32Å; Y370-S372 PolarHBondContact O-N 2.82Å; Y370-L373 HydrophobicContact CD1-CD1 4.41Å; Y370-L373 PolarHBondContact O-N 3.02Å |
| 371 | S | 41.7 | Very low | 37.1 | Very low | 93 Ų | 93 | 122.1 Ų | 122.1 | 65% | 0.65 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -68.1 | -32.9 | 175 | 78.4 | 0 | 0 | 0 | 0 | 112.2 | R367 S368 L373 | R367-S371 WeakPolarHBondContact O-CB 3.29Å; R367-S371 PolarHBondContact O-N 2.85Å; R367-S371 PolarHBondContact O-OG 2.76Å; S368-S371 PolarHBondContact O-OG 3.1Å; S368-S371 VanDerWaalsContact O-OG 3.09Å; S371-L373 VanDerWaalsContact C-N 3.28Å; S371-L373 PolarHBondContact O-N 2.75Å |
| 372 | S | 44.5 | Very low | 37.7 | Very low | 69 Ų | 69 | 117.1 Ų | 117.1 | 48% | 0.483 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -72.8 | -17 | 175.5 | 81.2 | 0 | 0 | 0 | 0 | 114.5 | S368 F369 Y370 G374 | S368-S372 WeakPolarHBondContact O-CB 3.21Å; S368-S372 PolarHBondContact O-N 3.41Å; S368-S372 VanDerWaalsContact O-N 3.09Å; F369-S372 PolarHBondContact O-N 2.77Å; F369-S372 PolarHBondContact O-OG 2.83Å; Y370-S372 VanDerWaalsContact C-N 3.32Å; Y370-S372 PolarHBondContact O-N 2.82Å; S372-G374 VanDerWaalsContact C-N 3.32Å |
| 373 | L | 41.9 | Very low | 38 | Very low | 60 Ų | 60 | 113.5 Ų | 113.5 | 31% | 0.314 | 60% | 0.597 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79 | -13.3 | -179.7 | -97.9 | 147.4 | 0 | 0 | 0 | 113.4 | L346 F369 Y370 S371 | L346-L373 HydrophobicContact CD1-CD2 3.97Å; F369-L373 HydrophobicContact CD1-CD1 3.85Å; F369-L373 HydrophobicContact CE1-CD1 3.53Å; F369-L373 HydrophobicContact CZ-CD1 4.03Å; F369-L373 PolarHBondContact O-N 3.28Å; Y370-L373 HydrophobicContact CD1-CD1 4.41Å; Y370-L373 PolarHBondContact O-N 3.02Å; S371-L373 VanDerWaalsContact C-N 3.28Å; S371-L373 PolarHBondContact O-N 2.75Å |
| 374 | G | 31.4 | Very low | 38.4 | Very low | 47 Ų | 47 | 111.5 Ų | 111.5 | 49% | 0.485 | 58% | 0.577 | S | S | . | * | trans | 69.3 | 105.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | S372 | S372-G374 VanDerWaalsContact C-N 3.32Š| ||
| 375 | T | 30.5 | Very low | 38.3 | Very low | 129 Ų | 129 | 111.3 Ų | 111.3 | 79% | 0.791 | 58% | 0.583 | S | S | * | * | trans | -16 | 130.1 | 169.8 | 49.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 376 | Y | 28.8 | Very low | 38 | Very low | 230 Ų | 230 | 112.9 Ų | 112.9 | 90% | 0.902 | 59% | 0.591 | S | S | * | * | trans | -114.2 | 113.5 | 141.4 | -89.3 | -88.6 | 0 | 0 | 0 | 108 | ||||
| 377 | N | 29.3 | Very low | 37.6 | Very low | 225 Ų | 225 | 116.4 Ų | 116.4 | 100% | 1.203 | 61% | 0.609 | S | S | * | * | trans | -58.6 | 0 | 150.3 | -84.1 | -16.4 | 0 | 0 | 0 | 110.1 |
Retrieved 377 of 377 residues in 60.8 ms
(Link to these results)