| 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 | 57.1 | Low | 76.4 | Confident | 173 Ų | 173 | 70.7 Ų | 70.7 | 85% | 0.852 | 35% | 0.353 | S | S | * | . | 0 | -38.3 | 0 | -84.9 | -156.7 | -80.7 | 0 | 0 | 112.5 | F3 Q4 K5 | M1-F3 PolarHBondContact O-N 3.11Å; M1-Q4 PolarHBondContact O-N 3.1Å; M1-K5 WeakPolarHBondContact O-CG 3.44Å; M1-K5 PolarHBondContact O-N 2.98Å; M1-K5 VanDerWaalsContact O-N 3.16Å | |||
| 2 | D | 71 | Confident | 76.7 | Confident | 126 Ų | 126 | 75.7 Ų | 75.7 | 67% | 0.674 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -67.9 | -35.4 | -174.9 | -54.4 | -36.7 | 0 | 0 | 0 | 113.9 | K5 A6 | D2-K5 PolarHBondContact O-N 2.94Å; D2-A6 PolarHBondContact O-N 2.92Å |
| 3 | F | 77.6 | Confident | 76.7 | Confident | 28 Ų | 28 | 75.1 Ų | 75.1 | 12% | 0.123 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.6 | -42.7 | 175.9 | -174.6 | -113.4 | 0 | 0 | 0 | 113.4 | M1 K5 A6 L7 L53 S54 A55 L79 | M1-F3 PolarHBondContact O-N 3.11Å; F3-K5 VanDerWaalsContact C-N 3.33Å; F3-K5 PolarHBondContact O-N 3.31Å; F3-A6 WeakPolarHBondContact O-CB 3.28Å; F3-A6 PolarHBondContact O-N 2.77Å; F3-L7 HydrophobicContact CD1-CD1 3.92Å; F3-L7 HydrophobicContact CD1-CG 4.49Å; F3-L7 HydrophobicContact CE1-CD1 3.57Å; F3-L7 HydrophobicContact CE1-CG 4.22Å; F3-L7 HydrophobicContact CZ-CD1 4.06Å; F3-L7 HydrophobicContact CZ-CD2 4.3Å; F3-L7 HydrophobicContact CZ-CG 4.29Å; F3-L7 WeakPolarHBondContact O-CG 3.24Å; F3-L7 PolarHBondContact O-N 3.3Å; F3-L53 HydrophobicContact CE1-CG 4.23Å; F3-L53 HydrophobicContact CZ-CD1 3.85Å; F3-L53 HydrophobicContact CZ-CG 4.01Å; F3-S54 VanDerWaalsContact CE1-C 3.43Å; F3-S54 VanDerWaalsContact CZ-C 3.45Å; F3-S54 WeakPolarHBondContact CZ-O 3.38Å; F3-A55 HydrophobicContact CB-CB 3.95Å; F3-A55 HydrophobicContact CD1-CB 4.22Å; F3-A55 HydrophobicContact CD2-CB 4.1Å; F3-A55 HydrophobicContact CG-CB 3.84Å; F3-L79 HydrophobicContact CD2-CD2 3.68Å; F3-L79 HydrophobicContact CE2-CD2 3.67Å |
| 4 | Q | 81.3 | Confident | 77 | Confident | 111 Ų | 111 | 70.9 Ų | 70.9 | 52% | 0.519 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.9 | -35.3 | 176.5 | -73.4 | 167.2 | -27.9 | 0 | 0 | 112 | M1 L7 L8 M48 | M1-Q4 PolarHBondContact O-N 3.1Å; Q4-L7 PolarHBondContact O-N 2.83Å; Q4-L8 WeakPolarHBondContact O-CB 3.43Å; Q4-L8 PolarHBondContact O-N 3.27Å; Q4-M48 HydrophobicContact CG-CE 4.2Å; Q4-M48 HydrophobicContact CG-SD 4.36Å |
| 5 | K | 78.9 | Confident | 77.3 | Confident | 124 Ų | 124 | 69.6 Ų | 69.6 | 54% | 0.539 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 171.5 | -72.4 | 176.9 | -179.7 | 177.2 | 0 | 111.2 | M1 D2 F3 L8 E9 | M1-K5 WeakPolarHBondContact O-CG 3.44Å; M1-K5 PolarHBondContact O-N 2.98Å; M1-K5 VanDerWaalsContact O-N 3.16Å; D2-K5 PolarHBondContact O-N 2.94Å; F3-K5 VanDerWaalsContact C-N 3.33Å; F3-K5 PolarHBondContact O-N 3.31Å; K5-L8 WeakPolarHBondContact O-CB 3.36Å; K5-L8 PolarHBondContact O-N 3.17Å; K5-E9 WeakPolarHBondContact O-CG 3.39Å; K5-E9 PolarHBondContact O-N 3.33Å |
| 6 | A | 75.3 | Confident | 77.6 | Confident | 19 Ų | 19 | 72.1 Ų | 72.1 | 16% | 0.157 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D2 F3 L8 E9 V10 I77 | D2-A6 PolarHBondContact O-N 2.92Å; F3-A6 WeakPolarHBondContact O-CB 3.28Å; F3-A6 PolarHBondContact O-N 2.77Å; A6-L8 VanDerWaalsContact C-N 3.28Å; A6-L8 PolarHBondContact O-N 2.74Å; A6-E9 PolarHBondContact O-N 2.89Å; A6-V10 WeakPolarHBondContact O-CG2 3.36Å; A6-V10 PolarHBondContact O-N 2.61Å; A6-I77 HydrophobicContact CB-CB 4.48Å; A6-I77 HydrophobicContact CB-CD1 4.34Å; A6-I77 HydrophobicContact CB-CG1 4.11Å; A6-I77 HydrophobicContact CB-CG2 3.52Å |
| 7 | L | 81.9 | Confident | 77.8 | Confident | 9 Ų | 9 | 74.4 Ų | 74.4 | 5% | 0.047 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62 | -35.5 | 175 | -69 | 175.2 | 0 | 0 | 0 | 112.7 | F3 Q4 G11 F44 M48 L53 L61 | F3-L7 HydrophobicContact CD1-CD1 3.92Å; F3-L7 HydrophobicContact CD1-CG 4.49Å; F3-L7 HydrophobicContact CE1-CD1 3.57Å; F3-L7 HydrophobicContact CE1-CG 4.22Å; F3-L7 HydrophobicContact CZ-CD1 4.06Å; F3-L7 HydrophobicContact CZ-CD2 4.3Å; F3-L7 HydrophobicContact CZ-CG 4.29Å; F3-L7 WeakPolarHBondContact O-CG 3.24Å; F3-L7 PolarHBondContact O-N 3.3Å; Q4-L7 PolarHBondContact O-N 2.83Å; L7-G11 PolarHBondContact O-N 3.1Å; L7-F44 HydrophobicContact CB-CD2 3.99Å; L7-F44 HydrophobicContact CB-CG 4.49Å; L7-F44 HydrophobicContact CD1-CB 4.25Å; L7-F44 HydrophobicContact CD2-CB 4.49Å; L7-F44 HydrophobicContact CD2-CD1 4.45Å; L7-F44 HydrophobicContact CD2-CD2 4.15Å; L7-F44 HydrophobicContact CD2-CG 4.13Å; L7-F44 WeakPolarHBondContact O-CE2 3.22Å; L7-M48 HydrophobicContact CD1-CG 4.45Å; L7-M48 HydrophobicContact CD1-SD 3.74Å; L7-L53 HydrophobicContact CD1-CD2 4.16Å; L7-L53 HydrophobicContact CD2-CD2 3.91Å; L7-L61 HydrophobicContact CD2-CD1 4.3Å; L7-L61 HydrophobicContact CD2-CD2 3.53Å |
| 8 | L | 81.2 | Confident | 78.2 | Confident | 75 Ų | 75 | 72.2 Ų | 72.2 | 39% | 0.393 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.5 | -42.4 | 175.3 | -178.7 | 64.3 | 0 | 0 | 0 | 111.5 | Q4 K5 A6 G11 K12 | Q4-L8 WeakPolarHBondContact O-CB 3.43Å; Q4-L8 PolarHBondContact O-N 3.27Å; K5-L8 WeakPolarHBondContact O-CB 3.36Å; K5-L8 PolarHBondContact O-N 3.17Å; A6-L8 VanDerWaalsContact C-N 3.28Å; A6-L8 PolarHBondContact O-N 2.74Å; L8-G11 PolarHBondContact O-N 3.49Å; L8-K12 WeakPolarHBondContact O-CG 3.46Å; L8-K12 PolarHBondContact O-N 3.08Å |
| 9 | E | 77.6 | Confident | 78.6 | Confident | 102 Ų | 102 | 68.8 Ų | 68.8 | 48% | 0.477 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.1 | -43 | 175.3 | -66.9 | -52 | 125.9 | 0 | 0 | 111.5 | K5 A6 G11 K12 T13 | K5-E9 WeakPolarHBondContact O-CG 3.39Å; K5-E9 PolarHBondContact O-N 3.33Å; A6-E9 PolarHBondContact O-N 2.89Å; E9-G11 VanDerWaalsContact C-N 3.31Å; E9-G11 PolarHBondContact O-N 3.08Å; E9-K12 PolarHBondContact O-N 3.27Å; E9-K12 IonicContact OE1-NZ 2.71Å; E9-K12 PolarHBondContact OE1-NZ 3.07Å; E9-T13 WeakPolarHBondContact O-CG2 3.49Å; E9-T13 PolarHBondContact O-N 2.91Å; E9-T13 PolarHBondContact O-OG1 2.84Å |
| 10 | V | 79 | Confident | 79 | Confident | 2 Ų | 2 | 69.2 Ų | 69.2 | 1% | 0.012 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -52.8 | -53.1 | 169.7 | 175.4 | 0 | 0 | 0 | 0 | 109.7 | A6 K12 T13 L14 F44 L65 I73 I77 | A6-V10 WeakPolarHBondContact O-CG2 3.36Å; A6-V10 PolarHBondContact O-N 2.61Å; V10-K12 VanDerWaalsContact C-N 3.27Å; V10-K12 PolarHBondContact O-N 3.07Å; V10-T13 PolarHBondContact O-N 2.94Å; V10-T13 PolarHBondContact O-OG1 3.24Å; V10-L14 HydrophobicContact CG1-CD1 3.99Å; V10-L14 WeakPolarHBondContact O-CG 3.35Å; V10-L14 PolarHBondContact O-N 3.33Å; V10-F44 HydrophobicContact CB-CE2 4.15Å; V10-F44 HydrophobicContact CB-CZ 4.46Å; V10-F44 HydrophobicContact CG1-CE2 3.86Å; V10-F44 HydrophobicContact CG1-CZ 3.7Å; V10-L65 HydrophobicContact CG1-CD1 4.37Å; V10-L65 HydrophobicContact CG1-CD2 4.11Å; V10-I73 HydrophobicContact CB-CG2 4.08Å; V10-I73 HydrophobicContact CG1-CG2 4.02Å; V10-I73 HydrophobicContact CG2-CG2 3.45Å; V10-I73 VanDerWaalsContact CG2-CG2 3.45Å; V10-I77 HydrophobicContact CG2-CD1 3.31Å; V10-I77 HydrophobicContact CG2-CG1 4.49Å |
| 11 | G | 79.6 | Confident | 79.4 | Confident | 9 Ų | 9 | 66 Ų | 66 | 9% | 0.093 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.8 | -32.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L7 L8 E9 | L7-G11 PolarHBondContact O-N 3.1Å; L8-G11 PolarHBondContact O-N 3.49Å; E9-G11 VanDerWaalsContact C-N 3.31Å; E9-G11 PolarHBondContact O-N 3.08Å |
| 12 | K | 79.7 | Confident | 80.9 | Confident | 130 Ų | 130 | 57.8 Ų | 57.8 | 57% | 0.565 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -72.4 | -27 | 175.2 | -72.9 | 171.7 | -176.1 | 168.3 | 0 | 113.4 | L8 E9 V10 | L8-K12 WeakPolarHBondContact O-CG 3.46Å; L8-K12 PolarHBondContact O-N 3.08Å; E9-K12 PolarHBondContact O-N 3.27Å; E9-K12 IonicContact OE1-NZ 2.71Å; E9-K12 PolarHBondContact OE1-NZ 3.07Å; V10-K12 VanDerWaalsContact C-N 3.27Å; V10-K12 PolarHBondContact O-N 3.07Å |
| 13 | T | 77.6 | Confident | 81.7 | Confident | 68 Ų | 68 | 53.2 Ų | 53.2 | 42% | 0.417 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -84.8 | -10 | -179.3 | 58.5 | 0 | 0 | 0 | 0 | 113.9 | E9 V10 R70 I73 | E9-T13 WeakPolarHBondContact O-CG2 3.49Å; E9-T13 PolarHBondContact O-N 2.91Å; E9-T13 PolarHBondContact O-OG1 2.84Å; V10-T13 PolarHBondContact O-N 2.94Å; V10-T13 PolarHBondContact O-OG1 3.24Å; T13-R70 PolarHBondContact O-NH2 3.24Å; T13-I73 WeakPolarHBondContact OG1-CD1 3.12Å |
| 14 | L | 79.6 | Confident | 82.3 | Confident | 16 Ų | 16 | 52.1 Ų | 52.1 | 8% | 0.084 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -90.7 | 135.5 | -179.4 | -64.4 | 167.9 | 0 | 0 | 0 | 111 | V10 E18 V19 L22 A40 F44 I68 I73 | V10-L14 HydrophobicContact CG1-CD1 3.99Å; V10-L14 WeakPolarHBondContact O-CG 3.35Å; V10-L14 PolarHBondContact O-N 3.33Å; L14-E18 VanDerWaalsContact CA-OE2 3.26Å; L14-E18 WeakPolarHBondContact CA-OE2 3.2Å; L14-E18 HydrophobicContact CB-CB 4.2Å; L14-E18 HydrophobicContact CD2-CB 3.98Å; L14-V19 HydrophobicContact CB-CG2 4.05Å; L14-L22 HydrophobicContact CD1-CD1 3.49Å; L14-L22 VanDerWaalsContact CD1-CD1 3.49Å; L14-A40 HydrophobicContact CD1-CB 4.07Å; L14-F44 HydrophobicContact CD1-CZ 4.23Å; L14-I68 HydrophobicContact CD2-CD1 3.7Å; L14-I73 HydrophobicContact CD2-CD1 4.33Å |
| 15 | S | 81.8 | Confident | 82.7 | Confident | 52 Ų | 52 | 46.9 Ų | 46.9 | 36% | 0.364 | 25% | 0.25 | S | C | . | . | trans | -71.3 | 167.1 | 170.5 | 78.7 | 0 | 0 | 0 | 0 | 111.4 | D17 E18 V19 | S15-D17 PolarHBondContact O-N 3.31Å; S15-D17 PolarHBondContact OG-N 2.97Å; S15-E18 PolarHBondContact N-OE2 2.89Å; S15-E18 PolarHBondContact O-N 2.97Å; S15-E18 WeakPolarHBondContact OG-CG 3.43Å; S15-E18 PolarHBondContact OG-N 3.22Å; S15-E18 VanDerWaalsContact OG-N 3.17Å; S15-E18 PolarHBondContact OG-OE2 2.94Å; S15-V19 VanDerWaalsContact O-CG2 3.31Å; S15-V19 WeakPolarHBondContact O-CG2 3.45Å; S15-V19 PolarHBondContact O-N 3.27Å | ||
| 16 | T | 81.8 | Confident | 83.2 | Confident | 109 Ų | 109 | 41 Ų | 41 | 67% | 0.669 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -56.3 | -39.3 | 174.8 | 45.2 | 0 | 0 | 0 | 0 | 112.3 | V19 E20 | T16-V19 PolarHBondContact O-N 3.29Å; T16-E20 PolarHBondContact O-N 2.85Å |
| 17 | D | 81.2 | Confident | 83.8 | Confident | 111 Ų | 111 | 41.6 Ų | 41.6 | 59% | 0.594 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -75.2 | -34.2 | -176.1 | -51.7 | -8.6 | 0 | 0 | 0 | 110.6 | S15 E20 A21 | S15-D17 PolarHBondContact O-N 3.31Å; S15-D17 PolarHBondContact OG-N 2.97Å; D17-E20 WeakPolarHBondContact O-CB 3.4Å; D17-E20 PolarHBondContact O-N 2.91Å; D17-A21 WeakPolarHBondContact O-CB 3.46Å; D17-A21 PolarHBondContact O-N 2.67Å |
| 18 | E | 84.7 | Confident | 83.9 | Confident | 35 Ų | 35 | 45.3 Ų | 45.3 | 16% | 0.164 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.1 | -37.6 | 172.5 | -70.9 | 175.5 | 124.5 | 0 | 0 | 111.6 | L14 S15 E20 A21 L22 I68 R70 | L14-E18 VanDerWaalsContact CA-OE2 3.26Å; L14-E18 WeakPolarHBondContact CA-OE2 3.2Å; L14-E18 HydrophobicContact CB-CB 4.2Å; L14-E18 HydrophobicContact CD2-CB 3.98Å; S15-E18 PolarHBondContact N-OE2 2.89Å; S15-E18 PolarHBondContact O-N 2.97Å; S15-E18 WeakPolarHBondContact OG-CG 3.43Å; S15-E18 PolarHBondContact OG-N 3.22Å; S15-E18 VanDerWaalsContact OG-N 3.17Å; S15-E18 PolarHBondContact OG-OE2 2.94Å; E18-E20 VanDerWaalsContact C-N 3.33Å; E18-A21 WeakPolarHBondContact O-CB 3.16Å; E18-A21 PolarHBondContact O-N 2.95Å; E18-L22 WeakPolarHBondContact O-CG 3.41Å; E18-L22 PolarHBondContact O-N 3.37Å; E18-I68 HydrophobicContact CB-CD1 4.44Å; E18-R70 WeakPolarHBondContact OE1-CD 3.39Å; E18-R70 WeakPolarHBondContact OE1-CG 3.26Å; E18-R70 IonicContact OE1-CZ 2.8Å; E18-R70 IonicContact OE1-NE 2.75Å; E18-R70 PolarHBondContact OE1-NE 3.07Å |
| 19 | V | 86.3 | Confident | 84.1 | Confident | 8 Ų | 8 | 42.7 Ų | 42.7 | 5% | 0.048 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.6 | -41.5 | 173.9 | 175.5 | 0 | 0 | 0 | 0 | 110.8 | L14 S15 T16 L22 S23 A40 | L14-V19 HydrophobicContact CB-CG2 4.05Å; S15-V19 VanDerWaalsContact O-CG2 3.31Å; S15-V19 WeakPolarHBondContact O-CG2 3.45Å; S15-V19 PolarHBondContact O-N 3.27Å; T16-V19 PolarHBondContact O-N 3.29Å; V19-L22 PolarHBondContact O-N 2.69Å; V19-S23 WeakPolarHBondContact O-CB 3.11Å; V19-S23 PolarHBondContact O-N 2.82Å; V19-A40 HydrophobicContact CG2-CB 3.84Å |
| 20 | E | 86.8 | Confident | 84.2 | Confident | 76 Ų | 76 | 38.8 Ų | 38.8 | 36% | 0.355 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.1 | -44.4 | 173.1 | -174.6 | -178.8 | -166.2 | 0 | 0 | 111.4 | T16 D17 E18 S23 F24 S129 | T16-E20 PolarHBondContact O-N 2.85Å; D17-E20 WeakPolarHBondContact O-CB 3.4Å; D17-E20 PolarHBondContact O-N 2.91Å; E18-E20 VanDerWaalsContact C-N 3.33Å; E20-S23 WeakPolarHBondContact O-CB 3.38Å; E20-S23 PolarHBondContact O-N 3.17Å; E20-F24 WeakPolarHBondContact O-CB 3.35Å; E20-F24 PolarHBondContact O-N 2.79Å; E20-S129 WeakPolarHBondContact OE1-CB 3.37Å; E20-S129 PolarHBondContact OE1-OG 2.89Å |
| 21 | A | 87.6 | Confident | 83.9 | Confident | 3 Ų | 3 | 43.3 Ų | 43.3 | 3% | 0.025 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.4 | -45.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D17 E18 S23 F24 L25 I68 Y98 L131 | D17-A21 WeakPolarHBondContact O-CB 3.46Å; D17-A21 PolarHBondContact O-N 2.67Å; E18-A21 WeakPolarHBondContact O-CB 3.16Å; E18-A21 PolarHBondContact O-N 2.95Å; A21-S23 VanDerWaalsContact C-N 3.33Å; A21-S23 PolarHBondContact O-N 3.2Å; A21-F24 WeakPolarHBondContact O-CB 3.39Å; A21-F24 PolarHBondContact O-N 3.37Å; A21-L25 VanDerWaalsContact O-CG 3.3Å; A21-L25 WeakPolarHBondContact O-CG 3.45Å; A21-L25 PolarHBondContact O-N 3.43Å; A21-I68 HydrophobicContact CB-CG2 4.1Å; A21-Y98 HydrophobicContact CB-CD2 4Å; A21-Y98 HydrophobicContact CB-CE2 3.45Å; A21-Y98 VanDerWaalsContact CB-CE2 3.45Å; A21-L131 HydrophobicContact CB-CD1 4.26Å |
| 22 | L | 88.1 | Confident | 83.3 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 175.8 | -70.6 | -173 | 0 | 0 | 0 | 111.7 | L14 E18 V19 F24 L25 C26 L43 F44 L64 I68 | L14-L22 HydrophobicContact CD1-CD1 3.49Å; L14-L22 VanDerWaalsContact CD1-CD1 3.49Å; E18-L22 WeakPolarHBondContact O-CG 3.41Å; E18-L22 PolarHBondContact O-N 3.37Å; V19-L22 PolarHBondContact O-N 2.69Å; L22-F24 VanDerWaalsContact C-N 3.33Å; L22-F24 PolarHBondContact O-N 3Å; L22-L25 PolarHBondContact O-N 3.31Å; L22-C26 PolarHBondContact O-N 3.32Å; L22-C26 VanDerWaalsContact O-N 3.1Å; L22-C26 PolarHBondContact O-SG 2.86Å; L22-C26 VanDerWaalsContact O-SG 3.38Å; L22-L43 HydrophobicContact CB-CD2 3.56Å; L22-F44 HydrophobicContact CD1-CE1 4.32Å; L22-F44 HydrophobicContact CD1-CZ 4.26Å; L22-L64 HydrophobicContact CD2-CB 3.8Å; L22-L64 HydrophobicContact CD2-CD2 4.05Å; L22-L64 HydrophobicContact CD2-CG 4.39Å; L22-I68 HydrophobicContact CD1-CD1 4.4Å; L22-I68 HydrophobicContact CD2-CD1 3.79Å; L22-I68 HydrophobicContact CD2-CG1 4.15Å; L22-I68 HydrophobicContact CD2-CG2 3.85Å; L22-I68 HydrophobicContact CG-CD1 4.06Å |
| 23 | S | 88.4 | Confident | 82.2 | Confident | 31 Ų | 31 | 52.9 Ų | 52.9 | 22% | 0.217 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.7 | -47.8 | 174.2 | 175 | 0 | 0 | 0 | 0 | 111.3 | V19 E20 A21 L25 C26 T27 L37 | V19-S23 WeakPolarHBondContact O-CB 3.11Å; V19-S23 PolarHBondContact O-N 2.82Å; E20-S23 WeakPolarHBondContact O-CB 3.38Å; E20-S23 PolarHBondContact O-N 3.17Å; A21-S23 VanDerWaalsContact C-N 3.33Å; A21-S23 PolarHBondContact O-N 3.2Å; S23-L25 PolarHBondContact O-N 2.96Å; S23-C26 PolarHBondContact O-N 3.06Å; S23-T27 PolarHBondContact O-N 3.01Å; S23-T27 PolarHBondContact O-OG1 2.71Å; S23-L37 VanDerWaalsContact OG-CD1 3.28Å; S23-L37 WeakPolarHBondContact OG-CD1 3.34Å |
| 24 | F | 90.8 | Very high | 81 | Confident | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.018 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59 | -47.8 | 178.6 | 175.3 | -91.8 | 0 | 0 | 0 | 112 | E20 A21 L22 C26 T27 R94 L97 L131 F134 L135 | E20-F24 WeakPolarHBondContact O-CB 3.35Å; E20-F24 PolarHBondContact O-N 2.79Å; A21-F24 WeakPolarHBondContact O-CB 3.39Å; A21-F24 PolarHBondContact O-N 3.37Å; L22-F24 VanDerWaalsContact C-N 3.33Å; L22-F24 PolarHBondContact O-N 3Å; F24-C26 PolarHBondContact O-N 3.41Å; F24-T27 VanDerWaalsContact O-CB 3.28Å; F24-T27 WeakPolarHBondContact O-CB 3.02Å; F24-T27 PolarHBondContact O-N 3.37Å; F24-T27 VanDerWaalsContact O-N 3.13Å; F24-T27 PolarHBondContact O-OG1 3.38Å; F24-R94 HydrophobicContact CE1-CB 4.47Å; F24-L97 HydrophobicContact CE1-CB 3.93Å; F24-L97 HydrophobicContact CZ-CB 3.58Å; F24-L97 HydrophobicContact CZ-CD1 3.85Å; F24-L97 HydrophobicContact CZ-CG 4.4Å; F24-L131 HydrophobicContact CB-CD1 4.13Å; F24-L131 HydrophobicContact CD1-CD2 3.79Å; F24-L131 HydrophobicContact CD2-CB 4.04Å; F24-L131 HydrophobicContact CD2-CD2 4.01Å; F24-L131 HydrophobicContact CE1-CD2 3.92Å; F24-L131 HydrophobicContact CE2-CD2 4.14Å; F24-L131 HydrophobicContact CG-CB 4.35Å; F24-L131 HydrophobicContact CG-CD1 4.3Å; F24-L131 HydrophobicContact CG-CD2 3.85Å; F24-L131 HydrophobicContact CG-CG 4.4Å; F24-L131 HydrophobicContact CZ-CD2 4.1Å; F24-F134 HydrophobicContact CE2-CB 4.47Å; F24-L135 HydrophobicContact CD2-CD1 3.98Å; F24-L135 HydrophobicContact CD2-CD2 3.85Å; F24-L135 HydrophobicContact CD2-CG 3.73Å; F24-L135 HydrophobicContact CE2-CD2 3.81Å; F24-L135 HydrophobicContact CE2-CG 3.81Å |
| 25 | L | 89.3 | Confident | 79.5 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.8 | -29.7 | 179.9 | -68.6 | 170.5 | 0 | 0 | 0 | 112.8 | A21 L22 S23 T27 L64 T67 I68 I90 R94 Y98 | A21-L25 VanDerWaalsContact O-CG 3.3Å; A21-L25 WeakPolarHBondContact O-CG 3.45Å; A21-L25 PolarHBondContact O-N 3.43Å; L22-L25 PolarHBondContact O-N 3.31Å; S23-L25 PolarHBondContact O-N 2.96Å; L25-T27 VanDerWaalsContact C-N 3.33Å; L25-L64 HydrophobicContact CB-CD2 3.69Å; L25-L64 HydrophobicContact CD1-CD2 4.21Å; L25-T67 HydrophobicContact CD1-CG2 3.57Å; L25-T67 HydrophobicContact CD2-CG2 3.84Å; L25-T67 HydrophobicContact CG-CG2 4.38Å; L25-I68 HydrophobicContact CD1-CG2 3.8Å; L25-I90 HydrophobicContact CB-CG2 4.35Å; L25-I90 HydrophobicContact CD2-CG2 4.18Å; L25-R94 HydrophobicContact CD2-CB 4.17Å; L25-Y98 HydrophobicContact CD2-CG 4.36Å |
| 26 | C | 89.5 | Confident | 78.1 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -1.3 | 177.2 | -70.8 | 0 | 0 | 0 | 0 | 114.6 | L22 S23 F24 D28 I29 L30 L43 L64 | L22-C26 PolarHBondContact O-N 3.32Å; L22-C26 VanDerWaalsContact O-N 3.1Å; L22-C26 PolarHBondContact O-SG 2.86Å; L22-C26 VanDerWaalsContact O-SG 3.38Å; S23-C26 PolarHBondContact O-N 3.06Å; F24-C26 PolarHBondContact O-N 3.41Å; C26-D28 VanDerWaalsContact C-N 3.28Å; C26-D28 PolarHBondContact O-N 2.91Å; C26-I29 PolarHBondContact O-N 3.34Å; C26-L30 HydrophobicContact CB-CD1 3.84Å; C26-L30 HydrophobicContact CB-CG 4.13Å; C26-L30 WeakPolarHBondContact O-CG 3.39Å; C26-L30 PolarHBondContact O-N 2.64Å; C26-L43 HydrophobicContact CB-CD1 4.3Å; C26-L64 VanDerWaalsContact SG-CD1 3.55Å; C26-L64 VanDerWaalsContact SG-CD2 3.57Å |
| 27 | T | 87.4 | Confident | 77 | Confident | 32 Ų | 32 | 55.1 Ų | 55.1 | 20% | 0.196 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -39.3 | -172.6 | -56.7 | 0 | 0 | 0 | 0 | 113.1 | S23 F24 L25 I29 L135 | S23-T27 PolarHBondContact O-N 3.01Å; S23-T27 PolarHBondContact O-OG1 2.71Å; F24-T27 VanDerWaalsContact O-CB 3.28Å; F24-T27 WeakPolarHBondContact O-CB 3.02Å; F24-T27 PolarHBondContact O-N 3.37Å; F24-T27 VanDerWaalsContact O-N 3.13Å; F24-T27 PolarHBondContact O-OG1 3.38Å; L25-T27 VanDerWaalsContact C-N 3.33Å; T27-I29 VanDerWaalsContact C-N 3.32Å; T27-L135 HydrophobicContact CG2-CD2 4.2Å |
| 28 | D | 84.3 | Confident | 76 | Confident | 87 Ų | 87 | 56.4 Ų | 56.4 | 47% | 0.465 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -13.6 | -179.6 | -56.5 | -25.4 | 0 | 0 | 0 | 113 | C26 S91 R94 | C26-D28 VanDerWaalsContact C-N 3.28Å; C26-D28 PolarHBondContact O-N 2.91Å; D28-S91 PolarHBondContact OD2-OG 3.3Å; D28-R94 VanDerWaalsContact CG-NE 3.26Å; D28-R94 IonicContact OD1-CZ 3.27Å; D28-R94 VanDerWaalsContact OD1-CZ 3.25Å; D28-R94 IonicContact OD1-NE 2.69Å; D28-R94 PolarHBondContact OD1-NE 2.83Å; D28-R94 IonicContact OD1-NH2 3.91Å; D28-R94 PolarHBondContact OD1-NH2 3.19Å; D28-R94 WeakPolarHBondContact OD2-CG 3.49Å; D28-R94 IonicContact OD2-CZ 3.23Å; D28-R94 IonicContact OD2-NE 2.72Å; D28-R94 PolarHBondContact OD2-NE 3.42Å |
| 29 | I | 84.4 | Confident | 75.4 | Confident | 21 Ų | 21 | 57.4 Ų | 57.4 | 11% | 0.108 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -31.7 | -172.2 | -55.4 | 177.9 | 0 | 0 | 0 | 110.7 | C26 T27 R52 L60 L89 I90 | C26-I29 PolarHBondContact O-N 3.34Å; T27-I29 VanDerWaalsContact C-N 3.32Å; I29-R52 HydrophobicContact CG2-CG 4.04Å; I29-L60 HydrophobicContact CD1-CD1 3.54Å; I29-L60 HydrophobicContact CD1-CD2 4.38Å; I29-L60 HydrophobicContact CG2-CD2 4Å; I29-L89 WeakPolarHBondContact CD1-O 3.33Å; I29-I90 HydrophobicContact CD1-CG1 4.11Å |
| 30 | L | 81.1 | Confident | 75.2 | Confident | 19 Ų | 19 | 57 Ų | 57 | 10% | 0.099 | 31% | 0.309 | C | S | . | . | trans | -87.2 | 132.6 | -178 | -68.9 | 172.1 | 0 | 0 | 0 | 111.4 | C26 R32 L43 L46 L47 | C26-L30 HydrophobicContact CB-CD1 3.84Å; C26-L30 HydrophobicContact CB-CG 4.13Å; C26-L30 WeakPolarHBondContact O-CG 3.39Å; C26-L30 PolarHBondContact O-N 2.64Å; L30-R32 VanDerWaalsContact C-N 3.28Å; L30-R32 PolarHBondContact O-N 3.22Å; L30-L43 HydrophobicContact CD1-CD1 3.91Å; L30-L46 HydrophobicContact CD1-CD2 3.97Å; L30-L46 HydrophobicContact CD2-CD2 3.86Å; L30-L46 HydrophobicContact CD2-CG 3.91Å; L30-L46 HydrophobicContact CG-CD2 4.45Å; L30-L47 HydrophobicContact CD2-CD2 3.63Å; L30-L47 HydrophobicContact CD2-CG 4.27Å; L30-L47 HydrophobicContact CG-CD2 4.27Å | ||
| 31 | S | 72.4 | Confident | 75.1 | Confident | 97 Ų | 97 | 55.1 Ų | 55.1 | 68% | 0.678 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -76.1 | -17.6 | 179.6 | -47.7 | 0 | 0 | 0 | 0 | 112.7 | E50 | S31-E50 WeakPolarHBondContact CB-OE2 3.24Å; S31-E50 PolarHBondContact N-OE1 2.95Å; S31-E50 PolarHBondContact N-OE2 3.28Å; S31-E50 PolarHBondContact OG-OE2 2.76Å |
| 32 | R | 65.6 | Low | 74.9 | Confident | 194 Ų | 194 | 59.2 Ų | 59.2 | 73% | 0.732 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -134 | 128.5 | -179.6 | -64.5 | -177.2 | -179.9 | -170.5 | -0.3 | 110.6 | L30 P34 | L30-R32 VanDerWaalsContact C-N 3.28Å; L30-R32 PolarHBondContact O-N 3.22Å; R32-P34 WeakPolarHBondContact O-CD 3.46Å |
| 33 | K | 58.3 | Low | 74.8 | Confident | 146 Ų | 146 | 59.2 Ų | 59.2 | 64% | 0.635 | 33% | 0.325 | S | S | * | . | trans | -65.2 | 120.5 | 169.6 | -72.7 | -172.8 | 177.8 | -175.9 | 0 | 109.1 | ||||
| 34 | P | 50.8 | Low | 74.8 | Confident | 46 Ų | 46 | 57.9 Ų | 57.9 | 30% | 0.299 | 32% | 0.316 | S | S | . | . | trans | -70.4 | 138.9 | 178.9 | 24.7 | -28 | 0 | 0 | 0 | 110.3 | R32 S36 L37 L46 | R32-P34 WeakPolarHBondContact O-CD 3.46Å; P34-S36 VanDerWaalsContact C-N 3.27Å; P34-S36 PolarHBondContact O-N 3.48Å; P34-L37 HydrophobicContact CB-CD1 4.01Å; P34-L37 HydrophobicContact CB-CD2 3.77Å; P34-L37 HydrophobicContact CB-CG 3.64Å; P34-L37 HydrophobicContact CG-CD1 3.25Å; P34-L37 HydrophobicContact CG-CD2 3.99Å; P34-L37 HydrophobicContact CG-CG 3.43Å; P34-L37 VanDerWaalsContact CG-CG 3.43Å; P34-L46 HydrophobicContact CB-CD2 4.16Å; P34-L46 HydrophobicContact CG-CD2 4.34Å | ||
| 35 | V | 48.2 | Very low | 74.6 | Confident | 154 Ų | 154 | 61.2 Ų | 61.2 | 93% | 0.933 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -76.8 | -12.7 | -168.1 | 176 | 0 | 0 | 0 | 0 | 112.9 | ||
| 36 | S | 52.7 | Low | 74.4 | Confident | 65 Ų | 65 | 62.9 Ų | 62.9 | 46% | 0.455 | 35% | 0.348 | S | S | . | . | trans | -176 | 129.7 | 160.6 | 131.9 | 0 | 0 | 0 | 0 | 106.9 | P34 D38 | P34-S36 VanDerWaalsContact C-N 3.27Å; P34-S36 PolarHBondContact O-N 3.48Å; S36-D38 PolarHBondContact OG-OD1 2.8Å; S36-D38 PolarHBondContact OG-OD2 3.41Å | ||
| 37 | L | 59.2 | Low | 74.3 | Confident | 28 Ų | 28 | 63 Ų | 63 | 15% | 0.147 | 35% | 0.348 | C | S | . | . | trans | -112.2 | 66.3 | 177.2 | -73.9 | -179.9 | 0 | 0 | 0 | 109.8 | S23 P34 C39 N42 L43 | S23-L37 VanDerWaalsContact OG-CD1 3.28Å; S23-L37 WeakPolarHBondContact OG-CD1 3.34Å; P34-L37 HydrophobicContact CB-CD1 4.01Å; P34-L37 HydrophobicContact CB-CD2 3.77Å; P34-L37 HydrophobicContact CB-CG 3.64Å; P34-L37 HydrophobicContact CG-CD1 3.25Å; P34-L37 HydrophobicContact CG-CD2 3.99Å; P34-L37 HydrophobicContact CG-CG 3.43Å; P34-L37 VanDerWaalsContact CG-CG 3.43Å; L37-C39 PolarHBondContact O-N 2.93Å; L37-C39 VanDerWaalsContact O-N 3.16Å; L37-N42 HydrophobicContact CD2-CB 3.64Å; L37-L43 HydrophobicContact CD1-CB 4.07Å; L37-L43 HydrophobicContact CD1-CD1 3.96Å; L37-L43 HydrophobicContact CD1-CG 4.47Å; L37-L43 HydrophobicContact CD2-CB 4.17Å | ||
| 38 | D | 59.5 | Low | 74.3 | Confident | 138 Ų | 138 | 64.4 Ų | 64.4 | 74% | 0.738 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -71.2 | -6.1 | 177.1 | -56.2 | -8.5 | 0 | 0 | 0 | 112.1 | S36 | S36-D38 PolarHBondContact OG-OD1 2.8Å; S36-D38 PolarHBondContact OG-OD2 3.41Å |
| 39 | C | 72.5 | Confident | 74.4 | Confident | 55 Ų | 55 | 68.8 Ų | 68.8 | 37% | 0.372 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -151.2 | 136.1 | -178.2 | -172.9 | 0 | 0 | 0 | 0 | 113 | L37 S41 N42 | L37-C39 PolarHBondContact O-N 2.93Å; L37-C39 VanDerWaalsContact O-N 3.16Å; C39-S41 PolarHBondContact O-N 2.7Å; C39-S41 VanDerWaalsContact O-N 3.11Å; C39-N42 WeakPolarHBondContact O-CB 3.31Å; C39-N42 PolarHBondContact O-N 3.09Å |
| 40 | A | 82.9 | Confident | 74.5 | Confident | 1 Ų | 1 | 69.6 Ų | 69.6 | 1% | 0.008 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -51.3 | -33.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | L14 V19 N42 L43 F44 | L14-A40 HydrophobicContact CD1-CB 4.07Å; V19-A40 HydrophobicContact CG2-CB 3.84Å; A40-N42 PolarHBondContact O-N 3.43Å; A40-L43 WeakPolarHBondContact O-CB 3.48Å; A40-L43 PolarHBondContact O-N 2.55Å; A40-L43 VanDerWaalsContact O-N 3.11Å; A40-F44 HydrophobicContact CB-CD2 4.38Å; A40-F44 HydrophobicContact CB-CE2 3.88Å; A40-F44 HydrophobicContact CB-CZ 4.25Å; A40-F44 WeakPolarHBondContact O-CD2 3.3Å; A40-F44 WeakPolarHBondContact O-CG 3.47Å; A40-F44 PolarHBondContact O-N 3.07Å |
| 41 | S | 83 | Confident | 74.7 | Confident | 35 Ų | 35 | 74.5 Ų | 74.5 | 25% | 0.245 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -59.8 | -34.2 | 179.7 | -59.9 | 0 | 0 | 0 | 0 | 112.5 | C39 S45 | C39-S41 PolarHBondContact O-N 2.7Å; C39-S41 VanDerWaalsContact O-N 3.11Å; S41-S45 VanDerWaalsContact O-CB 3.29Å; S41-S45 WeakPolarHBondContact O-CB 2.88Å; S41-S45 PolarHBondContact O-N 3.2Å; S41-S45 PolarHBondContact O-OG 3.38Å |
| 42 | N | 83.9 | Confident | 75.2 | Confident | 89 Ų | 89 | 75.3 Ų | 75.3 | 48% | 0.476 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -69.8 | -41.3 | 177.5 | -68.4 | -11.2 | 0 | 0 | 0 | 110.9 | L37 C39 A40 S45 L46 | L37-N42 HydrophobicContact CD2-CB 3.64Å; C39-N42 WeakPolarHBondContact O-CB 3.31Å; C39-N42 PolarHBondContact O-N 3.09Å; A40-N42 PolarHBondContact O-N 3.43Å; N42-S45 PolarHBondContact O-N 2.94Å; N42-L46 WeakPolarHBondContact O-CB 3.37Å; N42-L46 PolarHBondContact O-N 3.31Å |
| 43 | L | 86.1 | Confident | 76.1 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.4 | -49.5 | 176.6 | 175.8 | 61.7 | 0 | 0 | 0 | 111 | L22 C26 L30 L37 A40 S45 L46 L47 | L22-L43 HydrophobicContact CB-CD2 3.56Å; C26-L43 HydrophobicContact CB-CD1 4.3Å; L30-L43 HydrophobicContact CD1-CD1 3.91Å; L37-L43 HydrophobicContact CD1-CB 4.07Å; L37-L43 HydrophobicContact CD1-CD1 3.96Å; L37-L43 HydrophobicContact CD1-CG 4.47Å; L37-L43 HydrophobicContact CD2-CB 4.17Å; A40-L43 WeakPolarHBondContact O-CB 3.48Å; A40-L43 PolarHBondContact O-N 2.55Å; A40-L43 VanDerWaalsContact O-N 3.11Å; L43-S45 VanDerWaalsContact C-N 3.33Å; L43-S45 PolarHBondContact O-N 3.32Å; L43-L46 WeakPolarHBondContact O-CB 3.49Å; L43-L46 PolarHBondContact O-N 3.21Å; L43-L46 VanDerWaalsContact O-N 3.14Å; L43-L47 HydrophobicContact CD1-CD1 4.2Å; L43-L47 HydrophobicContact CD1-CG 4.29Å; L43-L47 HydrophobicContact CG-CD1 4.09Å; L43-L47 WeakPolarHBondContact O-CG 3.14Å; L43-L47 PolarHBondContact O-N 2.86Å |
| 44 | F | 87.9 | Confident | 77.3 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.018 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.4 | -39.1 | 179 | -60.5 | -34 | 0 | 0 | 0 | 112.4 | L7 V10 L14 L22 A40 L46 L47 M48 L53 L61 | L7-F44 HydrophobicContact CB-CD2 3.99Å; L7-F44 HydrophobicContact CB-CG 4.49Å; L7-F44 HydrophobicContact CD1-CB 4.25Å; L7-F44 HydrophobicContact CD2-CB 4.49Å; L7-F44 HydrophobicContact CD2-CD1 4.45Å; L7-F44 HydrophobicContact CD2-CD2 4.15Å; L7-F44 HydrophobicContact CD2-CG 4.13Å; L7-F44 WeakPolarHBondContact O-CE2 3.22Å; V10-F44 HydrophobicContact CB-CE2 4.15Å; V10-F44 HydrophobicContact CB-CZ 4.46Å; V10-F44 HydrophobicContact CG1-CE2 3.86Å; V10-F44 HydrophobicContact CG1-CZ 3.7Å; L14-F44 HydrophobicContact CD1-CZ 4.23Å; L22-F44 HydrophobicContact CD1-CE1 4.32Å; L22-F44 HydrophobicContact CD1-CZ 4.26Å; A40-F44 HydrophobicContact CB-CD2 4.38Å; A40-F44 HydrophobicContact CB-CE2 3.88Å; A40-F44 HydrophobicContact CB-CZ 4.25Å; A40-F44 WeakPolarHBondContact O-CD2 3.3Å; A40-F44 WeakPolarHBondContact O-CG 3.47Å; A40-F44 PolarHBondContact O-N 3.07Å; F44-L46 VanDerWaalsContact C-N 3.29Å; F44-L46 PolarHBondContact O-N 2.88Å; F44-L47 HydrophobicContact CD1-CD1 4.39Å; F44-L47 PolarHBondContact O-N 3.3Å; F44-M48 WeakPolarHBondContact O-CB 3.18Å; F44-M48 VanDerWaalsContact O-CG 3.3Å; F44-M48 WeakPolarHBondContact O-CG 3.3Å; F44-M48 PolarHBondContact O-N 3Å; F44-L53 HydrophobicContact CB-CD2 4.36Å; F44-L53 HydrophobicContact CD1-CD2 4.13Å; F44-L61 HydrophobicContact CD1-CD1 4.38Å; F44-L61 HydrophobicContact CE1-CD1 3.68Å; F44-L61 HydrophobicContact CZ-CD1 4.02Å |
| 45 | S | 86.4 | Confident | 78.5 | Confident | 73 Ų | 73 | 61.3 Ų | 61.3 | 51% | 0.51 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.1 | -38.3 | 174.9 | -61.6 | 0 | 0 | 0 | 0 | 111.9 | S41 N42 L43 K49 | S41-S45 VanDerWaalsContact O-CB 3.29Å; S41-S45 WeakPolarHBondContact O-CB 2.88Å; S41-S45 PolarHBondContact O-N 3.2Å; S41-S45 PolarHBondContact O-OG 3.38Å; N42-S45 PolarHBondContact O-N 2.94Å; L43-S45 VanDerWaalsContact C-N 3.33Å; L43-S45 PolarHBondContact O-N 3.32Å; S45-K49 WeakPolarHBondContact O-CB 3.21Å; S45-K49 PolarHBondContact O-N 3.15Å |
| 46 | L | 86 | Confident | 79.5 | Confident | 37 Ų | 37 | 56.5 Ų | 56.5 | 19% | 0.194 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -68.7 | -45.3 | 176.6 | -173.1 | 65.1 | 0 | 0 | 0 | 111.6 | L30 P34 N42 L43 F44 M48 K49 E50 | L30-L46 HydrophobicContact CD1-CD2 3.97Å; L30-L46 HydrophobicContact CD2-CD2 3.86Å; L30-L46 HydrophobicContact CD2-CG 3.91Å; L30-L46 HydrophobicContact CG-CD2 4.45Å; P34-L46 HydrophobicContact CB-CD2 4.16Å; P34-L46 HydrophobicContact CG-CD2 4.34Å; N42-L46 WeakPolarHBondContact O-CB 3.37Å; N42-L46 PolarHBondContact O-N 3.31Å; L43-L46 WeakPolarHBondContact O-CB 3.49Å; L43-L46 PolarHBondContact O-N 3.21Å; L43-L46 VanDerWaalsContact O-N 3.14Å; F44-L46 VanDerWaalsContact C-N 3.29Å; F44-L46 PolarHBondContact O-N 2.88Å; L46-M48 VanDerWaalsContact C-N 3.3Å; L46-M48 PolarHBondContact O-N 3.13Å; L46-K49 WeakPolarHBondContact O-CB 3.42Å; L46-K49 PolarHBondContact O-N 3.03Å; L46-K49 VanDerWaalsContact O-N 3.09Å; L46-E50 PolarHBondContact O-N 3.32Å |
| 47 | L | 87.8 | Confident | 80.6 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.9 | -38.8 | 176 | -70.9 | 170.2 | 0 | 0 | 0 | 112.2 | L30 L43 F44 E50 D51 R52 L53 L60 L64 | L30-L47 HydrophobicContact CD2-CD2 3.63Å; L30-L47 HydrophobicContact CD2-CG 4.27Å; L30-L47 HydrophobicContact CG-CD2 4.27Å; L43-L47 HydrophobicContact CD1-CD1 4.2Å; L43-L47 HydrophobicContact CD1-CG 4.29Å; L43-L47 HydrophobicContact CG-CD1 4.09Å; L43-L47 WeakPolarHBondContact O-CG 3.14Å; L43-L47 PolarHBondContact O-N 2.86Å; F44-L47 HydrophobicContact CD1-CD1 4.39Å; F44-L47 PolarHBondContact O-N 3.3Å; L47-E50 PolarHBondContact O-N 3.22Å; L47-D51 PolarHBondContact O-N 2.7Å; L47-R52 HydrophobicContact CB-CB 4.47Å; L47-R52 HydrophobicContact CD2-CB 4.03Å; L47-R52 PolarHBondContact O-N 2.8Å; L47-L53 HydrophobicContact CB-CB 3.81Å; L47-L53 HydrophobicContact CB-CD2 4.25Å; L47-L53 HydrophobicContact CD1-CD2 4.44Å; L47-L53 PolarHBondContact O-N 2.88Å; L47-L60 HydrophobicContact CD2-CD2 3.81Å; L47-L64 HydrophobicContact CD1-CD1 4.24Å |
| 48 | M | 87 | Confident | 81.4 | Confident | 63 Ų | 63 | 55 Ų | 55 | 31% | 0.31 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.9 | -40.2 | 172.8 | -74.9 | -178.4 | 54.6 | 0 | 0 | 112.2 | Q4 L7 F44 L46 E50 D51 L53 | Q4-M48 HydrophobicContact CG-CE 4.2Å; Q4-M48 HydrophobicContact CG-SD 4.36Å; L7-M48 HydrophobicContact CD1-CG 4.45Å; L7-M48 HydrophobicContact CD1-SD 3.74Å; F44-M48 WeakPolarHBondContact O-CB 3.18Å; F44-M48 VanDerWaalsContact O-CG 3.3Å; F44-M48 WeakPolarHBondContact O-CG 3.3Å; F44-M48 PolarHBondContact O-N 3Å; L46-M48 VanDerWaalsContact C-N 3.3Å; L46-M48 PolarHBondContact O-N 3.13Å; M48-E50 VanDerWaalsContact C-N 3.31Å; M48-E50 PolarHBondContact O-N 3.18Å; M48-D51 PolarHBondContact O-N 2.72Å; M48-L53 WeakPolarHBondContact CA-O 3.41Å; M48-L53 HydrophobicContact CG-CB 4.42Å; M48-L53 HydrophobicContact CG-CG 4.47Å; M48-L53 WeakPolarHBondContact CG-O 3.41Å |
| 49 | K | 86.7 | Confident | 82.1 | Confident | 178 Ų | 178 | 50.7 Ų | 50.7 | 77% | 0.774 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -67.7 | -31.8 | 179.7 | -170.6 | 177.3 | -179.7 | 177.9 | 0 | 112.7 | S45 L46 D51 | S45-K49 WeakPolarHBondContact O-CB 3.21Å; S45-K49 PolarHBondContact O-N 3.15Å; L46-K49 WeakPolarHBondContact O-CB 3.42Å; L46-K49 PolarHBondContact O-N 3.03Å; L46-K49 VanDerWaalsContact O-N 3.09Å; K49-D51 VanDerWaalsContact C-N 3.29Å |
| 50 | E | 87 | Confident | 82.6 | Confident | 39 Ų | 39 | 48.3 Ų | 48.3 | 18% | 0.182 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 11.6 | 174.9 | -63.6 | -162.2 | -169.2 | 0 | 0 | 113.4 | S31 L46 L47 M48 R52 | S31-E50 WeakPolarHBondContact CB-OE2 3.24Å; S31-E50 PolarHBondContact N-OE1 2.95Å; S31-E50 PolarHBondContact N-OE2 3.28Å; S31-E50 PolarHBondContact OG-OE2 2.76Å; L46-E50 PolarHBondContact O-N 3.32Å; L47-E50 PolarHBondContact O-N 3.22Å; M48-E50 VanDerWaalsContact C-N 3.31Å; M48-E50 PolarHBondContact O-N 3.18Å; E50-R52 HydrophobicContact CB-CG 4.09Å; E50-R52 PolarHBondContact O-N 2.91Å; E50-R52 VanDerWaalsContact O-N 3.13Å |
| 51 | D | 83.9 | Confident | 82.4 | Confident | 121 Ų | 121 | 48.3 Ų | 48.3 | 65% | 0.647 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 26.3 | 179.6 | -157.2 | 30.5 | 0 | 0 | 0 | 113.9 | L47 M48 K49 | L47-D51 PolarHBondContact O-N 2.7Å; M48-D51 PolarHBondContact O-N 2.72Å; K49-D51 VanDerWaalsContact C-N 3.29Å |
| 52 | R | 83.9 | Confident | 81.9 | Confident | 115 Ų | 115 | 47.9 Ų | 47.9 | 43% | 0.434 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -89.9 | -14.9 | 176.6 | -60.9 | -58.2 | -162.4 | -131.5 | 4.2 | 112.8 | I29 L47 E50 L60 | I29-R52 HydrophobicContact CG2-CG 4.04Å; L47-R52 HydrophobicContact CB-CB 4.47Å; L47-R52 HydrophobicContact CD2-CB 4.03Å; L47-R52 PolarHBondContact O-N 2.8Å; E50-R52 HydrophobicContact CB-CG 4.09Å; E50-R52 PolarHBondContact O-N 2.91Å; E50-R52 VanDerWaalsContact O-N 3.13Å; R52-L60 HydrophobicContact CB-CD2 3.8Å |
| 53 | L | 85.1 | Confident | 81.4 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | trans | -144.3 | 121.4 | -177.6 | -178.1 | 59.5 | 0 | 0 | 0 | 110.5 | F3 L7 F44 L47 M48 L61 | F3-L53 HydrophobicContact CE1-CG 4.23Å; F3-L53 HydrophobicContact CZ-CD1 3.85Å; F3-L53 HydrophobicContact CZ-CG 4.01Å; L7-L53 HydrophobicContact CD1-CD2 4.16Å; L7-L53 HydrophobicContact CD2-CD2 3.91Å; F44-L53 HydrophobicContact CB-CD2 4.36Å; F44-L53 HydrophobicContact CD1-CD2 4.13Å; L47-L53 HydrophobicContact CB-CB 3.81Å; L47-L53 HydrophobicContact CB-CD2 4.25Å; L47-L53 HydrophobicContact CD1-CD2 4.44Å; L47-L53 PolarHBondContact O-N 2.88Å; M48-L53 WeakPolarHBondContact CA-O 3.41Å; M48-L53 HydrophobicContact CG-CB 4.42Å; M48-L53 HydrophobicContact CG-CG 4.47Å; M48-L53 WeakPolarHBondContact CG-O 3.41Å; L53-L61 HydrophobicContact CD1-CB 3.53Å; L53-L61 HydrophobicContact CD1-CD2 4.41Å | ||
| 54 | S | 83.9 | Confident | 81.1 | Confident | 37 Ų | 37 | 44.7 Ų | 44.7 | 26% | 0.259 | 25% | 0.246 | S | C | . | . | B | Isolated β-bridge | trans | -151.5 | 170.8 | 173.6 | 77.2 | 0 | 0 | 0 | 0 | 110.8 | F3 G56 N57 | F3-S54 VanDerWaalsContact CE1-C 3.43Å; F3-S54 VanDerWaalsContact CZ-C 3.45Å; F3-S54 WeakPolarHBondContact CZ-O 3.38Å; S54-G56 PolarHBondContact O-N 3.46Å; S54-G56 PolarHBondContact OG-N 2.65Å; S54-N57 PolarHBondContact N-O 2.74Å; S54-N57 CarbonylContact O-C 2.92Å; S54-N57 PolarHBondContact O-N 2.82Å; S54-N57 VanDerWaalsContact O-N 3.08Å; S54-N57 PolarHBondContact OG-N 3.14Å; S54-N57 VanDerWaalsContact OG-N 3.15Å |
| 55 | A | 75.8 | Confident | 80.4 | Confident | 53 Ų | 53 | 44.5 Ų | 44.5 | 44% | 0.438 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -27.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | F3 | F3-A55 HydrophobicContact CB-CB 3.95Å; F3-A55 HydrophobicContact CD1-CB 4.22Å; F3-A55 HydrophobicContact CD2-CB 4.1Å; F3-A55 HydrophobicContact CG-CB 3.84Å |
| 56 | G | 68.5 | Low | 79.3 | Confident | 52 Ų | 52 | 42.9 Ų | 42.9 | 54% | 0.536 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -11.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | S54 | S54-G56 PolarHBondContact O-N 3.46Å; S54-G56 PolarHBondContact OG-N 2.65Å |
| 57 | N | 75.1 | Confident | 78.4 | Confident | 61 Ų | 61 | 41.7 Ų | 41.7 | 33% | 0.326 | 23% | 0.225 | S | C | . | . | B | Isolated β-bridge | trans | -133.5 | 68.6 | 177.5 | -174.7 | 12 | 0 | 0 | 0 | 110.4 | S54 Q59 | S54-N57 PolarHBondContact N-O 2.74Å; S54-N57 CarbonylContact O-C 2.92Å; S54-N57 PolarHBondContact O-N 2.82Å; S54-N57 VanDerWaalsContact O-N 3.08Å; S54-N57 PolarHBondContact OG-N 3.14Å; S54-N57 VanDerWaalsContact OG-N 3.15Å; N57-Q59 VanDerWaalsContact C-N 3.3Å; N57-Q59 VanDerWaalsContact C-OE1 3.25Å; N57-Q59 VanDerWaalsContact CA-OE1 3.24Å; N57-Q59 PolarHBondContact OD1-OE1 2.8Å |
| 58 | P | 76.5 | Confident | 77.5 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | trans | -81.8 | -3.5 | 179.6 | 32.9 | -36.1 | 0 | 0 | 0 | 114.1 | L60 L61 V62 L79 | P58-L60 VanDerWaalsContact C-N 3.29Å; P58-L60 PolarHBondContact O-N 2.86Å; P58-L61 WeakPolarHBondContact O-CB 3.18Å; P58-L61 PolarHBondContact O-N 3.08Å; P58-V62 WeakPolarHBondContact O-CG2 3.28Å; P58-V62 PolarHBondContact O-N 3.25Å; P58-L79 HydrophobicContact CB-CB 4.42Å; P58-L79 HydrophobicContact CB-CD1 3.73Å; P58-L79 HydrophobicContact CB-CD2 4.48Å; P58-L79 HydrophobicContact CB-CG 4.4Å; P58-L79 HydrophobicContact CG-CB 4.37Å | ||
| 59 | Q | 74.3 | Confident | 76.4 | Confident | 47 Ų | 47 | 42.9 Ų | 42.9 | 22% | 0.22 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.4 | -37.9 | -167 | -72.1 | 84 | -15.8 | 0 | 0 | 112.9 | N57 V62 E63 L89 | N57-Q59 VanDerWaalsContact C-N 3.3Å; N57-Q59 VanDerWaalsContact C-OE1 3.25Å; N57-Q59 VanDerWaalsContact CA-OE1 3.24Å; N57-Q59 PolarHBondContact OD1-OE1 2.8Å; Q59-V62 WeakPolarHBondContact O-CB 3.45Å; Q59-V62 PolarHBondContact O-N 3.47Å; Q59-E63 PolarHBondContact O-N 3.05Å; Q59-L89 HydrophobicContact CB-CD1 3.7Å |
| 60 | L | 82.1 | Confident | 75.1 | Confident | 5 Ų | 5 | 36.8 Ų | 36.8 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.3 | -42.6 | 178.1 | 178.5 | 58 | 0 | 0 | 0 | 112 | I29 L47 R52 P58 V62 E63 L64 L89 I90 | I29-L60 HydrophobicContact CD1-CD1 3.54Å; I29-L60 HydrophobicContact CD1-CD2 4.38Å; I29-L60 HydrophobicContact CG2-CD2 4Å; L47-L60 HydrophobicContact CD2-CD2 3.81Å; R52-L60 HydrophobicContact CB-CD2 3.8Å; P58-L60 VanDerWaalsContact C-N 3.29Å; P58-L60 PolarHBondContact O-N 2.86Å; L60-V62 VanDerWaalsContact C-N 3.29Å; L60-V62 PolarHBondContact O-N 3.45Å; L60-E63 PolarHBondContact O-N 2.9Å; L60-L64 HydrophobicContact CD1-CD1 4.15Å; L60-L64 HydrophobicContact CD1-CG 4.12Å; L60-L64 HydrophobicContact CG-CD1 3.91Å; L60-L64 HydrophobicContact CG-CG 4.37Å; L60-L64 VanDerWaalsContact O-CB 3.3Å; L60-L64 WeakPolarHBondContact O-CB 3.34Å; L60-L64 WeakPolarHBondContact O-CG 3.19Å; L60-L64 PolarHBondContact O-N 3.45Å; L60-L89 HydrophobicContact CB-CD1 3.95Å; L60-L89 HydrophobicContact CD1-CB 4.05Å; L60-I90 HydrophobicContact CD1-CG1 4.03Å |
| 61 | L | 80.1 | Confident | 73.2 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.7 | -40.1 | 176.5 | 176.9 | 69.7 | 0 | 0 | 0 | 111 | L7 F44 L53 P58 L64 L65 | L7-L61 HydrophobicContact CD2-CD1 4.3Å; L7-L61 HydrophobicContact CD2-CD2 3.53Å; F44-L61 HydrophobicContact CD1-CD1 4.38Å; F44-L61 HydrophobicContact CE1-CD1 3.68Å; F44-L61 HydrophobicContact CZ-CD1 4.02Å; L53-L61 HydrophobicContact CD1-CB 3.53Å; L53-L61 HydrophobicContact CD1-CD2 4.41Å; P58-L61 WeakPolarHBondContact O-CB 3.18Å; P58-L61 PolarHBondContact O-N 3.08Å; L61-L64 PolarHBondContact O-N 3.26Å; L61-L65 HydrophobicContact CD1-CD1 3.98Å; L61-L65 HydrophobicContact CD1-CG 4.09Å; L61-L65 HydrophobicContact CG-CD1 3.92Å; L61-L65 HydrophobicContact CG-CG 4.36Å; L61-L65 WeakPolarHBondContact O-CB 3.5Å; L61-L65 VanDerWaalsContact O-CG 3.26Å; L61-L65 WeakPolarHBondContact O-CG 3.08Å; L61-L65 PolarHBondContact O-N 2.82Å |
| 62 | V | 71.4 | Confident | 71.3 | Confident | 26 Ų | 26 | 30.9 Ų | 30.9 | 16% | 0.158 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.8 | -52.2 | 174.6 | 171.4 | 0 | 0 | 0 | 0 | 110.2 | P58 Q59 L60 L64 L65 L66 L74 F81 | P58-V62 WeakPolarHBondContact O-CG2 3.28Å; P58-V62 PolarHBondContact O-N 3.25Å; Q59-V62 WeakPolarHBondContact O-CB 3.45Å; Q59-V62 PolarHBondContact O-N 3.47Å; L60-V62 VanDerWaalsContact C-N 3.29Å; L60-V62 PolarHBondContact O-N 3.45Å; V62-L64 VanDerWaalsContact C-N 3.32Å; V62-L64 PolarHBondContact O-N 3.37Å; V62-L65 PolarHBondContact O-N 2.99Å; V62-L66 HydrophobicContact CG1-CD1 3.75Å; V62-L66 HydrophobicContact CG1-CG 4.34Å; V62-L66 WeakPolarHBondContact O-CB 3.41Å; V62-L66 WeakPolarHBondContact O-CG 3.46Å; V62-L66 PolarHBondContact O-N 3.44Å; V62-L74 HydrophobicContact CB-CD1 4.24Å; V62-L74 HydrophobicContact CB-CD2 4.33Å; V62-L74 HydrophobicContact CG1-CD1 3.85Å; V62-L74 HydrophobicContact CG2-CD1 4.31Å; V62-L74 HydrophobicContact CG2-CD2 3.77Å; V62-F81 HydrophobicContact CG2-CE1 3.89Å |
| 63 | E | 74.8 | Confident | 69.9 | Low | 22 Ų | 22 | 26.2 Ų | 26.2 | 10% | 0.103 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.5 | -37.1 | -178.8 | -166.6 | 176.1 | 164.4 | 0 | 0 | 112.7 | Q59 L60 T67 T88 L89 I90 K95 | Q59-E63 PolarHBondContact O-N 3.05Å; L60-E63 PolarHBondContact O-N 2.9Å; E63-T67 VanDerWaalsContact O-CB 3.3Å; E63-T67 WeakPolarHBondContact O-CB 3.28Å; E63-T67 PolarHBondContact O-N 3.17Å; E63-T67 PolarHBondContact O-OG1 2.98Å; E63-T88 WeakPolarHBondContact OE1-CB 3.49Å; E63-L89 PolarHBondContact OE1-N 2.96Å; E63-L89 WeakPolarHBondContact OE2-CA 3.3Å; E63-L89 VanDerWaalsContact OE2-CB 3.28Å; E63-L89 WeakPolarHBondContact OE2-CB 3.03Å; E63-L89 PolarHBondContact OE2-N 3.38Å; E63-I90 HydrophobicContact CB-CD1 4.22Å; E63-I90 HydrophobicContact CG-CD1 3.88Å; E63-I90 HydrophobicContact CG-CG1 4.12Å; E63-I90 PolarHBondContact OE1-N 3.26Å; E63-I90 VanDerWaalsContact OE1-N 3.11Å; E63-K95 VanDerWaalsContact OE1-CE 3.31Å; E63-K95 WeakPolarHBondContact OE1-CE 3.42Å; E63-K95 IonicContact OE1-NZ 3.51Å; E63-K95 PolarHBondContact OE1-NZ 3.19Å |
| 64 | L | 79.6 | Confident | 68.3 | Low | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62 | -52.9 | 174.9 | -80.4 | 168.6 | 0 | 0 | 0 | 111.5 | L22 L25 C26 L47 L60 L61 V62 L66 T67 I68 I90 | L22-L64 HydrophobicContact CD2-CB 3.8Å; L22-L64 HydrophobicContact CD2-CD2 4.05Å; L22-L64 HydrophobicContact CD2-CG 4.39Å; L25-L64 HydrophobicContact CB-CD2 3.69Å; L25-L64 HydrophobicContact CD1-CD2 4.21Å; C26-L64 VanDerWaalsContact SG-CD1 3.55Å; C26-L64 VanDerWaalsContact SG-CD2 3.57Å; L47-L64 HydrophobicContact CD1-CD1 4.24Å; L60-L64 HydrophobicContact CD1-CD1 4.15Å; L60-L64 HydrophobicContact CD1-CG 4.12Å; L60-L64 HydrophobicContact CG-CD1 3.91Å; L60-L64 HydrophobicContact CG-CG 4.37Å; L60-L64 VanDerWaalsContact O-CB 3.3Å; L60-L64 WeakPolarHBondContact O-CB 3.34Å; L60-L64 WeakPolarHBondContact O-CG 3.19Å; L60-L64 PolarHBondContact O-N 3.45Å; L61-L64 PolarHBondContact O-N 3.26Å; V62-L64 VanDerWaalsContact C-N 3.32Å; V62-L64 PolarHBondContact O-N 3.37Å; L64-L66 VanDerWaalsContact C-N 3.32Å; L64-L66 PolarHBondContact O-N 3.43Å; L64-T67 PolarHBondContact O-N 3Å; L64-T67 VanDerWaalsContact O-N 3.11Å; L64-I68 WeakPolarHBondContact O-CG1 3.4Å; L64-I68 PolarHBondContact O-N 2.92Å; L64-I90 HydrophobicContact CB-CD1 4.36Å; L64-I90 HydrophobicContact CD2-CD1 3.52Å; L64-I90 HydrophobicContact CD2-CG1 4.34Å; L64-I90 HydrophobicContact CG-CD1 3.8Å |
| 65 | L | 72.6 | Confident | 66.7 | Low | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.8 | -37.8 | 179.5 | -69 | 177.8 | 0 | 0 | 0 | 111.6 | V10 L61 V62 I68 Q69 R70 I73 L74 | V10-L65 HydrophobicContact CG1-CD1 4.37Å; V10-L65 HydrophobicContact CG1-CD2 4.11Å; L61-L65 HydrophobicContact CD1-CD1 3.98Å; L61-L65 HydrophobicContact CD1-CG 4.09Å; L61-L65 HydrophobicContact CG-CD1 3.92Å; L61-L65 HydrophobicContact CG-CG 4.36Å; L61-L65 WeakPolarHBondContact O-CB 3.5Å; L61-L65 VanDerWaalsContact O-CG 3.26Å; L61-L65 WeakPolarHBondContact O-CG 3.08Å; L61-L65 PolarHBondContact O-N 2.82Å; V62-L65 PolarHBondContact O-N 2.99Å; L65-I68 HydrophobicContact CD2-CD1 4.16Å; L65-I68 WeakPolarHBondContact O-CG1 3.19Å; L65-Q69 PolarHBondContact O-N 2.92Å; L65-R70 HydrophobicContact CD2-CB 4.35Å; L65-R70 WeakPolarHBondContact O-CA 3.47Å; L65-R70 PolarHBondContact O-N 3.45Å; L65-I73 HydrophobicContact CD1-CB 4.22Å; L65-I73 HydrophobicContact CD1-CG2 3.92Å; L65-I73 HydrophobicContact CD2-CD1 4.35Å; L65-L74 HydrophobicContact CB-CG 4.42Å; L65-L74 HydrophobicContact CD1-CD2 3.7Å; L65-L74 HydrophobicContact CD1-CG 4.08Å |
| 66 | L | 63.3 | Low | 65.2 | Low | 39 Ų | 39 | 36.2 Ų | 36.2 | 20% | 0.204 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.5 | -39.9 | 172.4 | -71.2 | 174.7 | 0 | 0 | 0 | 112.1 | V62 L64 Q69 P71 L74 T182 | V62-L66 HydrophobicContact CG1-CD1 3.75Å; V62-L66 HydrophobicContact CG1-CG 4.34Å; V62-L66 WeakPolarHBondContact O-CB 3.41Å; V62-L66 WeakPolarHBondContact O-CG 3.46Å; V62-L66 PolarHBondContact O-N 3.44Å; L64-L66 VanDerWaalsContact C-N 3.32Å; L64-L66 PolarHBondContact O-N 3.43Å; L66-Q69 PolarHBondContact O-N 3.08Å; L66-Q69 VanDerWaalsContact O-N 3.13Å; L66-P71 HydrophobicContact CD2-CB 3.79Å; L66-L74 HydrophobicContact CD2-CD1 4.36Å; L66-L74 HydrophobicContact CG-CD1 4.21Å; L66-T182 HydrophobicContact CD1-CG2 4.12Å; L66-T182 HydrophobicContact CD2-CG2 4.18Å |
| 67 | T | 66.6 | Low | 64.6 | Low | 12 Ų | 12 | 34.8 Ų | 34.8 | 7% | 0.074 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.9 | -37.7 | -179.3 | -58.8 | 0 | 0 | 0 | 0 | 111.8 | L25 E63 L64 Q69 K95 Y98 | L25-T67 HydrophobicContact CD1-CG2 3.57Å; L25-T67 HydrophobicContact CD2-CG2 3.84Å; L25-T67 HydrophobicContact CG-CG2 4.38Å; E63-T67 VanDerWaalsContact O-CB 3.3Å; E63-T67 WeakPolarHBondContact O-CB 3.28Å; E63-T67 PolarHBondContact O-N 3.17Å; E63-T67 PolarHBondContact O-OG1 2.98Å; L64-T67 PolarHBondContact O-N 3Å; L64-T67 VanDerWaalsContact O-N 3.11Å; T67-Q69 VanDerWaalsContact C-N 3.26Å; T67-Q69 PolarHBondContact O-N 3.3Å; T67-K95 HydrophobicContact CG2-CD 4.38Å; T67-K95 HydrophobicContact CG2-CG 3.97Å; T67-Y98 HydrophobicContact CG2-CD1 4.24Å; T67-Y98 WeakPolarHBondContact O-CE1 3.46Å |
| 68 | I | 70.4 | Confident | 63.5 | Low | 8 Ų | 8 | 42 Ų | 42 | 4% | 0.041 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 8.9 | 174 | 66.9 | 161.7 | 0 | 0 | 0 | 113.6 | L14 E18 A21 L22 L25 L64 L65 R70 Y98 | L14-I68 HydrophobicContact CD2-CD1 3.7Å; E18-I68 HydrophobicContact CB-CD1 4.44Å; A21-I68 HydrophobicContact CB-CG2 4.1Å; L22-I68 HydrophobicContact CD1-CD1 4.4Å; L22-I68 HydrophobicContact CD2-CD1 3.79Å; L22-I68 HydrophobicContact CD2-CG1 4.15Å; L22-I68 HydrophobicContact CD2-CG2 3.85Å; L22-I68 HydrophobicContact CG-CD1 4.06Å; L25-I68 HydrophobicContact CD1-CG2 3.8Å; L64-I68 WeakPolarHBondContact O-CG1 3.4Å; L64-I68 PolarHBondContact O-N 2.92Å; L65-I68 HydrophobicContact CD2-CD1 4.16Å; L65-I68 WeakPolarHBondContact O-CG1 3.19Å; I68-R70 HydrophobicContact CD1-CB 4.28Å; I68-R70 HydrophobicContact CD1-CG 3.73Å; I68-R70 HydrophobicContact CG1-CB 4.18Å; I68-R70 HydrophobicContact CG1-CG 3.81Å; I68-Y98 HydrophobicContact CG2-CE1 4.36Å |
| 69 | Q | 64.1 | Low | 62.4 | Low | 80 Ų | 80 | 43 Ų | 43 | 37% | 0.374 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 47.6 | 178.9 | -58.9 | 175.9 | 61.5 | 0 | 0 | 113.8 | L65 L66 T67 | L65-Q69 PolarHBondContact O-N 2.92Å; L66-Q69 PolarHBondContact O-N 3.08Å; L66-Q69 VanDerWaalsContact O-N 3.13Å; T67-Q69 VanDerWaalsContact C-N 3.26Å; T67-Q69 PolarHBondContact O-N 3.3Å |
| 70 | R | 57.4 | Low | 60.9 | Low | 51 Ų | 51 | 45 Ų | 45 | 19% | 0.192 | 23% | 0.228 | C | C | . | . | trans | -126.1 | 49.9 | 176.8 | -56.9 | -69.3 | -96.1 | 155.4 | 2.3 | 113.6 | T13 E18 L65 I68 V72 I73 | T13-R70 PolarHBondContact O-NH2 3.24Å; E18-R70 WeakPolarHBondContact OE1-CD 3.39Å; E18-R70 WeakPolarHBondContact OE1-CG 3.26Å; E18-R70 IonicContact OE1-CZ 2.8Å; E18-R70 IonicContact OE1-NE 2.75Å; E18-R70 PolarHBondContact OE1-NE 3.07Å; L65-R70 HydrophobicContact CD2-CB 4.35Å; L65-R70 WeakPolarHBondContact O-CA 3.47Å; L65-R70 PolarHBondContact O-N 3.45Å; I68-R70 HydrophobicContact CD1-CB 4.28Å; I68-R70 HydrophobicContact CD1-CG 3.73Å; I68-R70 HydrophobicContact CG1-CB 4.18Å; I68-R70 HydrophobicContact CG1-CG 3.81Å; R70-V72 VanDerWaalsContact C-N 3.29Å; R70-V72 PolarHBondContact O-N 2.92Å; R70-I73 HydrophobicContact CB-CD1 3.87Å; R70-I73 HydrophobicContact CB-CG1 4.34Å; R70-I73 HydrophobicContact CG-CD1 4.45Å; R70-I73 PolarHBondContact O-N 3.13Å | ||
| 71 | P | 48.4 | Very low | 59.4 | Low | 10 Ų | 10 | 49 Ų | 49 | 7% | 0.065 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -25.1 | 178.8 | 30.2 | -36.2 | 0 | 0 | 0 | 113.7 | L66 I73 L74 Q75 E439 | L66-P71 HydrophobicContact CD2-CB 3.79Å; P71-I73 PolarHBondContact O-N 2.86Å; P71-L74 WeakPolarHBondContact O-CA 3.41Å; P71-L74 WeakPolarHBondContact O-CB 3.3Å; P71-L74 PolarHBondContact O-N 3.08Å; P71-Q75 PolarHBondContact O-N 3.27Å; P71-E439 VanDerWaalsContact CD-CD 3.5Å; P71-E439 WeakPolarHBondContact CD-OE2 3.48Å; P71-E439 WeakPolarHBondContact CG-OE1 3.25Å; P71-E439 WeakPolarHBondContact CG-OE2 3.29Å |
| 72 | V | 43.5 | Very low | 57.7 | Low | 26 Ų | 26 | 55.9 Ų | 55.9 | 16% | 0.158 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.6 | -31.4 | 179.1 | -178.4 | 0 | 0 | 0 | 0 | 111.4 | R70 L74 Q75 N76 E437 E439 | R70-V72 VanDerWaalsContact C-N 3.29Å; R70-V72 PolarHBondContact O-N 2.92Å; V72-L74 PolarHBondContact O-N 3.31Å; V72-Q75 PolarHBondContact O-N 3.45Å; V72-N76 PolarHBondContact O-N 3.31Å; V72-E437 HydrophobicContact CG2-CB 4.16Å; V72-E439 HydrophobicContact CG2-CG 4.33Å |
| 73 | I | 54.5 | Low | 56 | Low | 16 Ų | 16 | 59.3 Ų | 59.3 | 8% | 0.082 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.3 | -31.6 | 174.3 | -60.8 | 179.1 | 0 | 0 | 0 | 110.9 | V10 T13 L14 L65 R70 P71 I77 | V10-I73 HydrophobicContact CB-CG2 4.08Å; V10-I73 HydrophobicContact CG1-CG2 4.02Å; V10-I73 HydrophobicContact CG2-CG2 3.45Å; V10-I73 VanDerWaalsContact CG2-CG2 3.45Å; T13-I73 WeakPolarHBondContact OG1-CD1 3.12Å; L14-I73 HydrophobicContact CD2-CD1 4.33Å; L65-I73 HydrophobicContact CD1-CB 4.22Å; L65-I73 HydrophobicContact CD1-CG2 3.92Å; L65-I73 HydrophobicContact CD2-CD1 4.35Å; R70-I73 HydrophobicContact CB-CD1 3.87Å; R70-I73 HydrophobicContact CB-CG1 4.34Å; R70-I73 HydrophobicContact CG-CD1 4.45Å; R70-I73 PolarHBondContact O-N 3.13Å; P71-I73 PolarHBondContact O-N 2.86Å; I73-I77 HydrophobicContact CG2-CD1 4.03Å; I73-I77 WeakPolarHBondContact O-CD1 3.3Å; I73-I77 VanDerWaalsContact O-CG1 3.28Å; I73-I77 WeakPolarHBondContact O-CG1 3.21Å |
| 74 | L | 52 | Low | 54.2 | Low | 24 Ų | 24 | 62.3 Ų | 62.3 | 13% | 0.126 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -72.7 | -32 | 177.1 | -61.2 | 169.9 | 0 | 0 | 0 | 112.7 | V62 L65 L66 P71 V72 N76 I77 | V62-L74 HydrophobicContact CB-CD1 4.24Å; V62-L74 HydrophobicContact CB-CD2 4.33Å; V62-L74 HydrophobicContact CG1-CD1 3.85Å; V62-L74 HydrophobicContact CG2-CD1 4.31Å; V62-L74 HydrophobicContact CG2-CD2 3.77Å; L65-L74 HydrophobicContact CB-CG 4.42Å; L65-L74 HydrophobicContact CD1-CD2 3.7Å; L65-L74 HydrophobicContact CD1-CG 4.08Å; L66-L74 HydrophobicContact CD2-CD1 4.36Å; L66-L74 HydrophobicContact CG-CD1 4.21Å; P71-L74 WeakPolarHBondContact O-CA 3.41Å; P71-L74 WeakPolarHBondContact O-CB 3.3Å; P71-L74 PolarHBondContact O-N 3.08Å; V72-L74 PolarHBondContact O-N 3.31Å; L74-N76 VanDerWaalsContact C-N 3.27Å; L74-N76 PolarHBondContact O-N 3.26Å; L74-I77 PolarHBondContact O-N 2.89Å |
| 75 | Q | 49 | Very low | 52.3 | Low | 142 Ų | 142 | 67.2 Ų | 67.2 | 66% | 0.664 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -67.2 | -30.1 | 176.9 | -65.8 | -175.6 | 7.6 | 0 | 0 | 112.4 | P71 V72 I77 | P71-Q75 PolarHBondContact O-N 3.27Å; V72-Q75 PolarHBondContact O-N 3.45Å; Q75-I77 VanDerWaalsContact C-N 3.31Å |
| 76 | N | 46.1 | Very low | 51 | Low | 136 Ų | 136 | 72 Ų | 72 | 73% | 0.727 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -12.8 | 177.9 | -70.9 | -33.1 | 0 | 0 | 0 | 113.4 | V72 L74 | V72-N76 PolarHBondContact O-N 3.31Å; L74-N76 VanDerWaalsContact C-N 3.27Å; L74-N76 PolarHBondContact O-N 3.26Å |
| 77 | I | 53.9 | Low | 50.5 | Low | 23 Ų | 23 | 74.1 Ų | 74.1 | 12% | 0.118 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -110.6 | 109.2 | -179.5 | -50.5 | 163.7 | 0 | 0 | 0 | 108.1 | A6 V10 I73 L74 Q75 L79 | A6-I77 HydrophobicContact CB-CB 4.48Å; A6-I77 HydrophobicContact CB-CD1 4.34Å; A6-I77 HydrophobicContact CB-CG1 4.11Å; A6-I77 HydrophobicContact CB-CG2 3.52Å; V10-I77 HydrophobicContact CG2-CD1 3.31Å; V10-I77 HydrophobicContact CG2-CG1 4.49Å; I73-I77 HydrophobicContact CG2-CD1 4.03Å; I73-I77 WeakPolarHBondContact O-CD1 3.3Å; I73-I77 VanDerWaalsContact O-CG1 3.28Å; I73-I77 WeakPolarHBondContact O-CG1 3.21Å; L74-I77 PolarHBondContact O-N 2.89Å; Q75-I77 VanDerWaalsContact C-N 3.31Å; I77-L79 HydrophobicContact CB-CD1 4.37Å; I77-L79 HydrophobicContact CB-CG 4.13Å; I77-L79 HydrophobicContact CG2-CD1 3.97Å; I77-L79 HydrophobicContact CG2-CD2 3.57Å; I77-L79 HydrophobicContact CG2-CG 3.49Å; I77-L79 VanDerWaalsContact CG2-CG 3.49Å; I77-L79 PolarHBondContact O-N 2.73Å |
| 78 | K | 52.2 | Low | 50.3 | Low | 213 Ų | 213 | 76.8 Ų | 76.8 | 93% | 0.926 | 43% | 0.426 | S | S | * | . | trans | -66.2 | 74.7 | 172.7 | -66.8 | -179.1 | 178.2 | -179.4 | 0 | 110.8 | ||||
| 79 | L | 54.1 | Low | 50.7 | Low | 20 Ų | 20 | 80 Ų | 80 | 11% | 0.105 | 44% | 0.443 | C | S | . | . | trans | -89.5 | 124.9 | 173.6 | -61 | 173.9 | 0 | 0 | 0 | 108.8 | F3 P58 I77 F81 | F3-L79 HydrophobicContact CD2-CD2 3.68Å; F3-L79 HydrophobicContact CE2-CD2 3.67Å; P58-L79 HydrophobicContact CB-CB 4.42Å; P58-L79 HydrophobicContact CB-CD1 3.73Å; P58-L79 HydrophobicContact CB-CD2 4.48Å; P58-L79 HydrophobicContact CB-CG 4.4Å; P58-L79 HydrophobicContact CG-CB 4.37Å; I77-L79 HydrophobicContact CB-CD1 4.37Å; I77-L79 HydrophobicContact CB-CG 4.13Å; I77-L79 HydrophobicContact CG2-CD1 3.97Å; I77-L79 HydrophobicContact CG2-CD2 3.57Å; I77-L79 HydrophobicContact CG2-CG 3.49Å; I77-L79 VanDerWaalsContact CG2-CG 3.49Å; I77-L79 PolarHBondContact O-N 2.73Å; L79-F81 HydrophobicContact CB-CZ 4.34Å; L79-F81 WeakPolarHBondContact O-CD2 3.46Å; L79-F81 WeakPolarHBondContact O-CE2 3.47Å; L79-F81 PolarHBondContact O-N 3.35Å | ||
| 80 | S | 43.8 | Very low | 51.6 | Low | 91 Ų | 91 | 76.2 Ų | 76.2 | 64% | 0.636 | 43% | 0.425 | S | S | * | . | trans | -77.4 | 115.9 | 174 | 52.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 81 | F | 50.5 | Low | 53 | Low | 88 Ų | 88 | 75.1 Ų | 75.1 | 39% | 0.386 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -85.8 | 117.9 | 178.6 | -59.2 | -75.5 | 0 | 0 | 0 | 110.6 | V62 L79 L261 | V62-F81 HydrophobicContact CG2-CE1 3.89Å; L79-F81 HydrophobicContact CB-CZ 4.34Å; L79-F81 WeakPolarHBondContact O-CD2 3.46Å; L79-F81 WeakPolarHBondContact O-CE2 3.47Å; L79-F81 PolarHBondContact O-N 3.35Å; F81-L261 HydrophobicContact CB-CD2 4.13Å; F81-L261 HydrophobicContact CD2-CD2 4.45Å; F81-L261 HydrophobicContact CG-CD2 4.49Å |
| 82 | Q | 43.9 | Very low | 54.6 | Low | 146 Ų | 146 | 76.2 Ų | 76.2 | 68% | 0.682 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -94.8 | 122.4 | 163.3 | -75.7 | -176.6 | -12.2 | 0 | 0 | 108.8 | S84 | Q82-S84 PolarHBondContact O-N 2.95Š|
| 83 | S | 36.1 | Very low | 56.7 | Low | 98 Ų | 98 | 75.4 Ų | 75.4 | 69% | 0.685 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -51.6 | 116.6 | 179.2 | 46.3 | 0 | 0 | 0 | 0 | 111.8 | ||
| 84 | S | 36.1 | Very low | 58.5 | Low | 85 Ų | 85 | 74.7 Ų | 74.7 | 59% | 0.594 | 42% | 0.423 | S | S | * | . | trans | -149.6 | 145.9 | 167.6 | -61 | 0 | 0 | 0 | 0 | 109.4 | Q82 | Q82-S84 PolarHBondContact O-N 2.95Š| ||
| 85 | S | 40.4 | Very low | 60 | Low | 103 Ų | 103 | 73.9 Ų | 73.9 | 72% | 0.72 | 42% | 0.418 | S | S | * | . | trans | -38.5 | 156.5 | -169.2 | -60.7 | 0 | 0 | 0 | 0 | 118.7 | S87 | S85-S87 PolarHBondContact O-N 3.44Š| ||
| 86 | P | 45 | Very low | 61.9 | Low | 101 Ų | 101 | 67.1 Ų | 67.1 | 66% | 0.656 | 39% | 0.387 | S | S | * | . | trans | -80.5 | 43.5 | -171.6 | 36.6 | -38.3 | 0 | 0 | 0 | 113.6 | T88 | P86-T88 PolarHBondContact O-N 3.46Š| ||
| 87 | S | 51.8 | Low | 64 | Low | 84 Ų | 84 | 60.7 Ų | 60.7 | 59% | 0.587 | 35% | 0.352 | S | S | * | . | trans | -78.9 | 120.1 | 173.1 | 55.7 | 0 | 0 | 0 | 0 | 109.7 | S85 L89 | S85-S87 PolarHBondContact O-N 3.44Å; S87-L89 PolarHBondContact O-N 3.16Å | ||
| 88 | T | 63.9 | Low | 65.7 | Low | 67 Ų | 67 | 60.3 Ų | 60.3 | 41% | 0.411 | 35% | 0.349 | S | S | . | . | trans | -64.8 | 118 | 169.8 | 53.2 | 0 | 0 | 0 | 0 | 109.4 | E63 P86 L175 | E63-T88 WeakPolarHBondContact OE1-CB 3.49Å; P86-T88 PolarHBondContact O-N 3.46Å; T88-L175 HydrophobicContact CG2-CD2 3.9Å | ||
| 89 | L | 78.1 | Confident | 67 | Low | 76 Ų | 76 | 52.9 Ų | 52.9 | 40% | 0.398 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -77.4 | -25.8 | 179.5 | -60.5 | 170.1 | 0 | 0 | 0 | 111.8 | I29 Q59 L60 E63 S87 | I29-L89 WeakPolarHBondContact CD1-O 3.33Å; Q59-L89 HydrophobicContact CB-CD1 3.7Å; L60-L89 HydrophobicContact CB-CD1 3.95Å; L60-L89 HydrophobicContact CD1-CB 4.05Å; E63-L89 PolarHBondContact OE1-N 2.96Å; E63-L89 WeakPolarHBondContact OE2-CA 3.3Å; E63-L89 VanDerWaalsContact OE2-CB 3.28Å; E63-L89 WeakPolarHBondContact OE2-CB 3.03Å; E63-L89 PolarHBondContact OE2-N 3.38Å; S87-L89 PolarHBondContact O-N 3.16Å |
| 90 | I | 83.6 | Confident | 68.5 | Low | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -96.9 | 131.2 | 174.9 | -55.2 | 173 | 0 | 0 | 0 | 109.1 | L25 I29 L60 E63 L64 R94 K95 | L25-I90 HydrophobicContact CB-CG2 4.35Å; L25-I90 HydrophobicContact CD2-CG2 4.18Å; I29-I90 HydrophobicContact CD1-CG1 4.11Å; L60-I90 HydrophobicContact CD1-CG1 4.03Å; E63-I90 HydrophobicContact CB-CD1 4.22Å; E63-I90 HydrophobicContact CG-CD1 3.88Å; E63-I90 HydrophobicContact CG-CG1 4.12Å; E63-I90 PolarHBondContact OE1-N 3.26Å; E63-I90 VanDerWaalsContact OE1-N 3.11Å; L64-I90 HydrophobicContact CB-CD1 4.36Å; L64-I90 HydrophobicContact CD2-CD1 3.52Å; L64-I90 HydrophobicContact CD2-CG1 4.34Å; L64-I90 HydrophobicContact CG-CD1 3.8Å; I90-R94 HydrophobicContact CG2-CB 4.19Å; I90-K95 HydrophobicContact CG2-CG 3.96Å |
| 91 | S | 86.1 | Confident | 70.6 | Confident | 29 Ų | 29 | 48 Ų | 48 | 20% | 0.203 | 28% | 0.283 | C | S | . | . | trans | -60.3 | 138.3 | -178 | 71 | 0 | 0 | 0 | 0 | 111.4 | D28 Y93 R94 K95 | D28-S91 PolarHBondContact OD2-OG 3.3Å; S91-Y93 PolarHBondContact O-N 3.11Å; S91-R94 PolarHBondContact O-N 3.21Å; S91-R94 VanDerWaalsContact O-N 3.14Å; S91-R94 WeakPolarHBondContact OG-CB 3.35Å; S91-R94 WeakPolarHBondContact OG-CG 3.36Å; S91-R94 PolarHBondContact OG-N 3.47Å; S91-K95 PolarHBondContact O-N 3.48Å | ||
| 92 | P | 81.9 | Confident | 72.3 | Confident | 33 Ų | 33 | 49.4 Ų | 49.4 | 21% | 0.214 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.3 | -31.7 | 176.3 | -27.6 | 36.4 | 0 | 0 | 0 | 113.1 | K95 L96 Y169 L175 | P92-K95 PolarHBondContact O-N 2.75Å; P92-L96 PolarHBondContact O-N 3.23Å; P92-Y169 HydrophobicContact CB-CE2 4.05Å; P92-L175 HydrophobicContact CG-CD2 4.29Å |
| 93 | Y | 88.4 | Confident | 73.9 | Confident | 8 Ų | 8 | 47.1 Ų | 47.1 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.1 | -49.7 | 174.1 | 179.5 | -114.6 | 0 | 0 | 0 | 113.3 | S91 K95 L96 L97 N144 E145 L148 | S91-Y93 PolarHBondContact O-N 3.11Å; Y93-K95 VanDerWaalsContact C-N 3.28Å; Y93-K95 PolarHBondContact O-N 3.02Å; Y93-L96 WeakPolarHBondContact O-CB 3.29Å; Y93-L96 PolarHBondContact O-N 2.78Å; Y93-L96 VanDerWaalsContact O-N 3.09Å; Y93-L97 HydrophobicContact CD1-CD1 4.29Å; Y93-L97 HydrophobicContact CE1-CD1 3.6Å; Y93-L97 HydrophobicContact CE1-CG 4.43Å; Y93-L97 HydrophobicContact CE2-CD1 4.08Å; Y93-L97 HydrophobicContact CE2-CD2 4.43Å; Y93-L97 HydrophobicContact CE2-CG 4.18Å; Y93-L97 VanDerWaalsContact CZ-CD1 3.49Å; Y93-L97 PolarHBondContact O-N 3.44Å; Y93-N144 VanDerWaalsContact CE2-O 3.25Å; Y93-N144 WeakPolarHBondContact CE2-O 3.29Å; Y93-N144 VanDerWaalsContact CZ-C 3.49Å; Y93-N144 VanDerWaalsContact OH-CA 3.31Å; Y93-N144 WeakPolarHBondContact OH-CA 3.28Å; Y93-N144 PolarHBondContact OH-N 2.97Å; Y93-E145 HydrophobicContact CD2-CB 4.34Å; Y93-E145 HydrophobicContact CG-CB 4.23Å; Y93-E145 HydrophobicContact CG-CG 4.41Å; Y93-L148 HydrophobicContact CE2-CD2 3.91Å; Y93-L148 HydrophobicContact CE2-CG 4.48Å |
| 94 | R | 91.1 | Very high | 76 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.6 | -38.8 | 176.7 | -68.8 | -71.8 | 177.3 | -158 | -1.9 | 111.5 | F24 L25 D28 I90 S91 L96 L97 Y98 E138 | F24-R94 HydrophobicContact CE1-CB 4.47Å; L25-R94 HydrophobicContact CD2-CB 4.17Å; D28-R94 VanDerWaalsContact CG-NE 3.26Å; D28-R94 IonicContact OD1-CZ 3.27Å; D28-R94 VanDerWaalsContact OD1-CZ 3.25Å; D28-R94 IonicContact OD1-NE 2.69Å; D28-R94 PolarHBondContact OD1-NE 2.83Å; D28-R94 IonicContact OD1-NH2 3.91Å; D28-R94 PolarHBondContact OD1-NH2 3.19Å; D28-R94 WeakPolarHBondContact OD2-CG 3.49Å; D28-R94 IonicContact OD2-CZ 3.23Å; D28-R94 IonicContact OD2-NE 2.72Å; D28-R94 PolarHBondContact OD2-NE 3.42Å; I90-R94 HydrophobicContact CG2-CB 4.19Å; S91-R94 PolarHBondContact O-N 3.21Å; S91-R94 VanDerWaalsContact O-N 3.14Å; S91-R94 WeakPolarHBondContact OG-CB 3.35Å; S91-R94 WeakPolarHBondContact OG-CG 3.36Å; S91-R94 PolarHBondContact OG-N 3.47Å; R94-L96 VanDerWaalsContact C-N 3.32Å; R94-L96 PolarHBondContact O-N 3.22Å; R94-L97 PolarHBondContact O-N 3.43Å; R94-Y98 WeakPolarHBondContact O-CB 3.46Å; R94-Y98 PolarHBondContact O-N 3.33Å; R94-E138 IonicContact CZ-OE1 3.65Å; R94-E138 IonicContact CZ-OE2 3.37Å; R94-E138 IonicContact NH1-OE1 2.79Å; R94-E138 IonicContact NH1-OE2 3.21Å; R94-E138 PolarHBondContact NH1-OE2 3.24Å; R94-E138 IonicContact NH2-OE1 2.72Å; R94-E138 PolarHBondContact NH2-OE1 2.95Å; R94-E138 IonicContact NH2-OE2 3.58Å; R94-E138 PolarHBondContact NH2-OE2 3.39Å |
| 95 | K | 85.1 | Confident | 78.4 | Confident | 7 Ų | 7 | 43 Ų | 43 | 3% | 0.03 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.9 | -31.6 | 175.3 | -61.3 | -171.1 | -175.2 | -176.5 | 0 | 113.2 | E63 T67 I90 S91 P92 Y93 R99 | E63-K95 VanDerWaalsContact OE1-CE 3.31Å; E63-K95 WeakPolarHBondContact OE1-CE 3.42Å; E63-K95 IonicContact OE1-NZ 3.51Å; E63-K95 PolarHBondContact OE1-NZ 3.19Å; T67-K95 HydrophobicContact CG2-CD 4.38Å; T67-K95 HydrophobicContact CG2-CG 3.97Å; I90-K95 HydrophobicContact CG2-CG 3.96Å; S91-K95 PolarHBondContact O-N 3.48Å; P92-K95 PolarHBondContact O-N 2.75Å; Y93-K95 VanDerWaalsContact C-N 3.28Å; Y93-K95 PolarHBondContact O-N 3.02Å; K95-R99 WeakPolarHBondContact O-CG 3.41Å; K95-R99 PolarHBondContact O-N 3.17Å; K95-R99 PolarHBondContact O-NE 3.2Å |
| 96 | L | 88.4 | Confident | 80.5 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.9 | -55.2 | 173.5 | 170.9 | 68.9 | 0 | 0 | 0 | 110.3 | P92 Y93 R94 Y98 R99 L100 L148 E165 I166 Y169 L174 | P92-L96 PolarHBondContact O-N 3.23Å; Y93-L96 WeakPolarHBondContact O-CB 3.29Å; Y93-L96 PolarHBondContact O-N 2.78Å; Y93-L96 VanDerWaalsContact O-N 3.09Å; R94-L96 VanDerWaalsContact C-N 3.32Å; R94-L96 PolarHBondContact O-N 3.22Å; L96-Y98 VanDerWaalsContact C-N 3.29Å; L96-Y98 PolarHBondContact O-N 3.18Å; L96-R99 WeakPolarHBondContact O-CB 3.43Å; L96-R99 PolarHBondContact O-N 3.25Å; L96-L100 HydrophobicContact CD1-CD1 3.96Å; L96-L100 HydrophobicContact CD1-CG 4.15Å; L96-L100 HydrophobicContact CD2-CD1 4.41Å; L96-L100 HydrophobicContact CG-CD1 3.83Å; L96-L100 HydrophobicContact CG-CG 4.4Å; L96-L100 WeakPolarHBondContact O-CG 3.48Å; L96-L100 PolarHBondContact O-N 2.85Å; L96-L148 HydrophobicContact CD2-CD1 3.62Å; L96-E165 HydrophobicContact CD1-CB 4.18Å; L96-I166 HydrophobicContact CD2-CG1 4.49Å; L96-Y169 HydrophobicContact CB-CD2 4.36Å; L96-Y169 HydrophobicContact CD2-CD1 3.64Å; L96-Y169 HydrophobicContact CD2-CD2 4.15Å; L96-Y169 HydrophobicContact CD2-CE1 4.24Å; L96-Y169 HydrophobicContact CD2-CG 3.59Å; L96-Y169 HydrophobicContact CG-CG 4.47Å; L96-L174 HydrophobicContact CB-CD2 4.07Å; L96-L174 HydrophobicContact CD1-CD2 4.32Å |
| 97 | L | 90.7 | Very high | 82.5 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.9 | -41 | -177.5 | -68.5 | -175.4 | 0 | 0 | 0 | 111.9 | F24 Y93 R94 R99 L100 S101 F134 I143 L151 | F24-L97 HydrophobicContact CE1-CB 3.93Å; F24-L97 HydrophobicContact CZ-CB 3.58Å; F24-L97 HydrophobicContact CZ-CD1 3.85Å; F24-L97 HydrophobicContact CZ-CG 4.4Å; Y93-L97 HydrophobicContact CD1-CD1 4.29Å; Y93-L97 HydrophobicContact CE1-CD1 3.6Å; Y93-L97 HydrophobicContact CE1-CG 4.43Å; Y93-L97 HydrophobicContact CE2-CD1 4.08Å; Y93-L97 HydrophobicContact CE2-CD2 4.43Å; Y93-L97 HydrophobicContact CE2-CG 4.18Å; Y93-L97 VanDerWaalsContact CZ-CD1 3.49Å; Y93-L97 PolarHBondContact O-N 3.44Å; R94-L97 PolarHBondContact O-N 3.43Å; L97-R99 PolarHBondContact O-N 2.71Å; L97-L100 HydrophobicContact CD2-CD1 4.32Å; L97-L100 PolarHBondContact O-N 2.57Å; L97-S101 PolarHBondContact O-N 3.49Å; L97-F134 HydrophobicContact CB-CD2 3.97Å; L97-F134 HydrophobicContact CB-CE2 4.44Å; L97-F134 HydrophobicContact CD1-CB 4.28Å; L97-F134 HydrophobicContact CD2-CD2 4.25Å; L97-F134 HydrophobicContact CD2-CG 4.31Å; L97-F134 WeakPolarHBondContact O-CE2 3.4Å; L97-I143 HydrophobicContact CD1-CD1 4.41Å; L97-I143 HydrophobicContact CD2-CD1 4.32Å; L97-L151 HydrophobicContact CD2-CD2 3.99Å |
| 98 | Y | 87.9 | Confident | 84.4 | Confident | 16 Ų | 16 | 46 Ų | 46 | 6% | 0.063 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.9 | -47.5 | 173.4 | 174.5 | -112.7 | 0 | 0 | 0 | 111.7 | A21 L25 T67 I68 R94 L96 L100 S101 Q102 L131 | A21-Y98 HydrophobicContact CB-CD2 4Å; A21-Y98 HydrophobicContact CB-CE2 3.45Å; A21-Y98 VanDerWaalsContact CB-CE2 3.45Å; L25-Y98 HydrophobicContact CD2-CG 4.36Å; T67-Y98 HydrophobicContact CG2-CD1 4.24Å; T67-Y98 WeakPolarHBondContact O-CE1 3.46Å; I68-Y98 HydrophobicContact CG2-CE1 4.36Å; R94-Y98 WeakPolarHBondContact O-CB 3.46Å; R94-Y98 PolarHBondContact O-N 3.33Å; L96-Y98 VanDerWaalsContact C-N 3.29Å; L96-Y98 PolarHBondContact O-N 3.18Å; Y98-L100 PolarHBondContact O-N 2.82Å; Y98-S101 WeakPolarHBondContact O-CB 3.38Å; Y98-S101 PolarHBondContact O-N 3.35Å; Y98-S101 VanDerWaalsContact O-N 3.12Å; Y98-S101 PolarHBondContact O-OG 3.18Å; Y98-Q102 HydrophobicContact CE1-CG 4.33Å; Y98-Q102 HydrophobicContact CE2-CG 4.02Å; Y98-Q102 WeakPolarHBondContact O-CG 3.36Å; Y98-Q102 PolarHBondContact O-N 3.33Å; Y98-L131 HydrophobicContact CD2-CD1 4.31Å; Y98-L131 HydrophobicContact CD2-CD2 4.28Å |
| 99 | R | 80.9 | Confident | 85.7 | Confident | 57 Ų | 57 | 43 Ų | 43 | 22% | 0.215 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.4 | -38.3 | 178.5 | -84.2 | -179 | -79.2 | 166.6 | -23.5 | 114.4 | K95 L96 L97 S101 Q102 Q103 E165 L174 | K95-R99 WeakPolarHBondContact O-CG 3.41Å; K95-R99 PolarHBondContact O-N 3.17Å; K95-R99 PolarHBondContact O-NE 3.2Å; L96-R99 WeakPolarHBondContact O-CB 3.43Å; L96-R99 PolarHBondContact O-N 3.25Å; L97-R99 PolarHBondContact O-N 2.71Å; R99-S101 VanDerWaalsContact C-N 3.29Å; R99-Q102 PolarHBondContact O-N 3.01Å; R99-Q103 PolarHBondContact O-NE2 2.79Å; R99-E165 IonicContact NH1-OE2 3.67Å; R99-L174 VanDerWaalsContact NH1-CG 3.3Å |
| 100 | L | 84.8 | Confident | 86.4 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.6 | -41.4 | 174.4 | -67.4 | 167.8 | 0 | 0 | 0 | 110.2 | L96 L97 Y98 Q102 Q103 I104 F134 L151 F155 L162 E165 I166 | L96-L100 HydrophobicContact CD1-CD1 3.96Å; L96-L100 HydrophobicContact CD1-CG 4.15Å; L96-L100 HydrophobicContact CD2-CD1 4.41Å; L96-L100 HydrophobicContact CG-CD1 3.83Å; L96-L100 HydrophobicContact CG-CG 4.4Å; L96-L100 WeakPolarHBondContact O-CG 3.48Å; L96-L100 PolarHBondContact O-N 2.85Å; L97-L100 HydrophobicContact CD2-CD1 4.32Å; L97-L100 PolarHBondContact O-N 2.57Å; Y98-L100 PolarHBondContact O-N 2.82Å; L100-Q102 VanDerWaalsContact C-N 3.26Å; L100-Q102 PolarHBondContact O-N 2.76Å; L100-Q103 PolarHBondContact O-N 2.98Å; L100-Q103 VanDerWaalsContact O-N 3.16Å; L100-I104 WeakPolarHBondContact O-CD1 3.46Å; L100-I104 WeakPolarHBondContact O-CG1 3.48Å; L100-F134 HydrophobicContact CB-CE2 4.16Å; L100-F134 HydrophobicContact CB-CZ 4.11Å; L100-L151 HydrophobicContact CD1-CD2 4.11Å; L100-F155 HydrophobicContact CB-CE2 4.38Å; L100-F155 HydrophobicContact CB-CZ 4.37Å; L100-F155 HydrophobicContact CD1-CE2 3.99Å; L100-F155 HydrophobicContact CD2-CE2 3.88Å; L100-F155 HydrophobicContact CG-CE2 4.31Å; L100-L162 HydrophobicContact CD2-CB 3.96Å; L100-E165 HydrophobicContact CD2-CB 3.92Å; L100-I166 HydrophobicContact CD1-CD1 4.27Å; L100-I166 HydrophobicContact CD1-CG1 3.98Å; L100-I166 HydrophobicContact CD2-CG1 4.49Å |
| 101 | S | 88.9 | Confident | 86.8 | Confident | 9 Ų | 9 | 45.3 Ų | 45.3 | 6% | 0.063 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.7 | -33.2 | 179.9 | 80.8 | 0 | 0 | 0 | 0 | 113.7 | L97 Y98 R99 Q103 L131 | L97-S101 PolarHBondContact O-N 3.49Å; Y98-S101 WeakPolarHBondContact O-CB 3.38Å; Y98-S101 PolarHBondContact O-N 3.35Å; Y98-S101 VanDerWaalsContact O-N 3.12Å; Y98-S101 PolarHBondContact O-OG 3.18Å; R99-S101 VanDerWaalsContact C-N 3.29Å; S101-Q103 VanDerWaalsContact C-N 3.26Å; S101-Q103 PolarHBondContact O-N 3.2Å; S101-L131 VanDerWaalsContact OG-CD2 3.31Å; S101-L131 WeakPolarHBondContact OG-CD2 3.08Å |
| 102 | Q | 84.9 | Confident | 87.2 | Confident | 117 Ų | 117 | 44 Ų | 44 | 55% | 0.547 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -13.4 | -178.1 | -61.9 | -57.1 | -74.9 | 0 | 0 | 113.3 | Y98 R99 L100 | Y98-Q102 HydrophobicContact CE1-CG 4.33Å; Y98-Q102 HydrophobicContact CE2-CG 4.02Å; Y98-Q102 WeakPolarHBondContact O-CG 3.36Å; Y98-Q102 PolarHBondContact O-N 3.33Å; R99-Q102 PolarHBondContact O-N 3.01Å; L100-Q102 VanDerWaalsContact C-N 3.26Å; L100-Q102 PolarHBondContact O-N 2.76Å |
| 103 | Q | 78.1 | Confident | 87.8 | Confident | 97 Ų | 97 | 43.6 Ų | 43.6 | 45% | 0.453 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 5.9 | -176.5 | -64.2 | 178.3 | 70 | 0 | 0 | 113 | R99 L100 S101 L162 | R99-Q103 PolarHBondContact O-NE2 2.79Å; L100-Q103 PolarHBondContact O-N 2.98Å; L100-Q103 VanDerWaalsContact O-N 3.16Å; S101-Q103 VanDerWaalsContact C-N 3.26Å; S101-Q103 PolarHBondContact O-N 3.2Å; Q103-L162 HydrophobicContact CB-CD1 4.32Å; Q103-L162 HydrophobicContact CB-CD2 3.61Å; Q103-L162 HydrophobicContact CG-CD2 4.35Å |
| 104 | I | 81 | Confident | 88 | Confident | 21 Ų | 21 | 50.1 Ų | 50.1 | 11% | 0.108 | 25% | 0.246 | C | C | . | . | trans | -102.3 | 125.9 | 179.9 | -69.1 | 165.1 | 0 | 0 | 0 | 108.5 | L100 E108 L109 T130 F134 F155 L162 | L100-I104 WeakPolarHBondContact O-CD1 3.46Å; L100-I104 WeakPolarHBondContact O-CG1 3.48Å; I104-E108 HydrophobicContact CG2-CB 3.99Å; I104-L109 HydrophobicContact CG2-CB 4.04Å; I104-T130 HydrophobicContact CB-CG2 4.28Å; I104-T130 HydrophobicContact CD1-CG2 3.58Å; I104-T130 HydrophobicContact CG2-CG2 4.37Å; I104-F134 HydrophobicContact CD1-CZ 4.04Å; I104-F155 HydrophobicContact CD1-CE1 3.66Å; I104-F155 HydrophobicContact CD1-CZ 3.76Å; I104-L162 HydrophobicContact CD1-CD1 4.07Å; I104-L162 HydrophobicContact CG1-CD1 3.56Å | ||
| 105 | T | 85.6 | Confident | 88.1 | Confident | 75 Ų | 75 | 53 Ų | 53 | 46% | 0.46 | 26% | 0.261 | S | S | . | . | trans | -77.6 | 163.9 | 174 | 63.7 | 0 | 0 | 0 | 0 | 111.8 | E107 E108 L109 | T105-E107 VanDerWaalsContact C-N 3.25Å; T105-E107 PolarHBondContact O-N 2.84Å; T105-E108 WeakPolarHBondContact CB-OE2 3.4Å; T105-E108 WeakPolarHBondContact CG2-OE2 3.22Å; T105-E108 PolarHBondContact N-OE2 2.8Å; T105-E108 PolarHBondContact O-N 2.83Å; T105-E108 WeakPolarHBondContact OG1-CB 3.39Å; T105-E108 VanDerWaalsContact OG1-CD 3.26Å; T105-E108 VanDerWaalsContact OG1-CG 3.26Å; T105-E108 WeakPolarHBondContact OG1-CG 3.41Å; T105-E108 PolarHBondContact OG1-N 3.32Å; T105-E108 PolarHBondContact OG1-OE2 3.08Å; T105-L109 WeakPolarHBondContact O-CB 3.5Å; T105-L109 PolarHBondContact O-N 2.75Å | ||
| 106 | E | 84.6 | Confident | 88.4 | Confident | 155 Ų | 155 | 52.7 Ų | 52.7 | 72% | 0.724 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -59.9 | -34.7 | 175.5 | -71.8 | -63.2 | 148.3 | 0 | 0 | 113.1 | G110 | E106-G110 PolarHBondContact O-N 2.88Å |
| 107 | E | 87.4 | Confident | 88.4 | Confident | 149 Ų | 149 | 57.8 Ų | 57.8 | 70% | 0.696 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -66.7 | -50.6 | 176.4 | -176.3 | 172.2 | -168.4 | 0 | 0 | 110.7 | T105 L109 G110 E111 | T105-E107 VanDerWaalsContact C-N 3.25Å; T105-E107 PolarHBondContact O-N 2.84Å; E107-L109 VanDerWaalsContact C-N 3.3Å; E107-L109 PolarHBondContact O-N 3.28Å; E107-G110 WeakPolarHBondContact O-CA 3.47Å; E107-G110 PolarHBondContact O-N 2.85Å; E107-E111 PolarHBondContact O-N 3.17Å |
| 108 | E | 90.7 | Very high | 88.3 | Confident | 47 Ų | 47 | 62 Ų | 62 | 22% | 0.22 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.8 | -36.3 | 176.3 | -71 | 165 | 141.9 | 0 | 0 | 112.1 | I104 T105 G110 E111 M112 V158 C159 | I104-E108 HydrophobicContact CG2-CB 3.99Å; T105-E108 WeakPolarHBondContact CB-OE2 3.4Å; T105-E108 WeakPolarHBondContact CG2-OE2 3.22Å; T105-E108 PolarHBondContact N-OE2 2.8Å; T105-E108 PolarHBondContact O-N 2.83Å; T105-E108 WeakPolarHBondContact OG1-CB 3.39Å; T105-E108 VanDerWaalsContact OG1-CD 3.26Å; T105-E108 VanDerWaalsContact OG1-CG 3.26Å; T105-E108 WeakPolarHBondContact OG1-CG 3.41Å; T105-E108 PolarHBondContact OG1-N 3.32Å; T105-E108 PolarHBondContact OG1-OE2 3.08Å; E108-G110 VanDerWaalsContact C-N 3.3Å; E108-G110 PolarHBondContact O-N 3.04Å; E108-E111 PolarHBondContact O-N 2.97Å; E108-M112 VanDerWaalsContact O-CB 3.25Å; E108-M112 WeakPolarHBondContact O-CB 3.44Å; E108-M112 PolarHBondContact O-N 3.4Å; E108-V158 HydrophobicContact CB-CG1 3.57Å; E108-V158 HydrophobicContact CG-CG1 3.87Å; E108-V158 WeakPolarHBondContact O-CG1 3.09Å; E108-C159 WeakPolarHBondContact OE1-CB 3.46Å |
| 109 | L | 92.3 | Very high | 88.4 | Confident | 4 Ų | 4 | 61.4 Ų | 61.4 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63 | -39.1 | 172.6 | 178.6 | 59.5 | 0 | 0 | 0 | 111.2 | I104 T105 E107 M112 K113 T130 V133 | I104-L109 HydrophobicContact CG2-CB 4.04Å; T105-L109 WeakPolarHBondContact O-CB 3.5Å; T105-L109 PolarHBondContact O-N 2.75Å; E107-L109 VanDerWaalsContact C-N 3.3Å; E107-L109 PolarHBondContact O-N 3.28Å; L109-M112 PolarHBondContact O-N 2.89Å; L109-K113 HydrophobicContact CD1-CD 4.49Å; L109-K113 HydrophobicContact CD1-CG 4.34Å; L109-K113 HydrophobicContact CG-CD 4.34Å; L109-K113 WeakPolarHBondContact O-CB 3.29Å; L109-K113 VanDerWaalsContact O-CG 3.27Å; L109-K113 WeakPolarHBondContact O-CG 3.31Å; L109-K113 PolarHBondContact O-N 2.85Å; L109-T130 HydrophobicContact CD1-CG2 4.44Å; L109-V133 HydrophobicContact CD1-CG2 3.97Å |
| 110 | G | 91.1 | Very high | 88.8 | Confident | 39 Ų | 39 | 61.2 Ų | 61.2 | 40% | 0.402 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.2 | -46.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E106 E107 E108 K113 F114 | E106-G110 PolarHBondContact O-N 2.88Å; E107-G110 WeakPolarHBondContact O-CA 3.47Å; E107-G110 PolarHBondContact O-N 2.85Å; E108-G110 VanDerWaalsContact C-N 3.3Å; E108-G110 PolarHBondContact O-N 3.04Å; G110-K113 PolarHBondContact O-N 3.12Å; G110-F114 WeakPolarHBondContact O-CB 3.44Å; G110-F114 PolarHBondContact O-N 3.33Å |
| 111 | E | 93.6 | Very high | 89 | Confident | 87 Ų | 87 | 67.6 Ų | 67.6 | 41% | 0.407 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 175.9 | -64.5 | -176.1 | 167.2 | 0 | 0 | 112.2 | E107 E108 F114 L115 V158 | E107-E111 PolarHBondContact O-N 3.17Å; E108-E111 PolarHBondContact O-N 2.97Å; E111-F114 WeakPolarHBondContact O-CA 3.41Å; E111-F114 WeakPolarHBondContact O-CB 3.37Å; E111-F114 PolarHBondContact O-N 2.93Å; E111-F114 VanDerWaalsContact O-N 3.12Å; E111-L115 WeakPolarHBondContact O-CG 3.43Å; E111-L115 PolarHBondContact O-N 2.92Å; E111-V158 HydrophobicContact CB-CG1 4.12Å; E111-V158 HydrophobicContact CB-CG2 3.98Å |
| 112 | M | 94.5 | Very high | 88.9 | Confident | 2 Ų | 2 | 77.6 Ų | 77.6 | 1% | 0.01 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.4 | -50.3 | 176 | -172.6 | -173.9 | 167.8 | 0 | 0 | 110.6 | E108 L109 F114 L115 L116 V133 F134 M137 L151 I154 F155 | E108-M112 VanDerWaalsContact O-CB 3.25Å; E108-M112 WeakPolarHBondContact O-CB 3.44Å; E108-M112 PolarHBondContact O-N 3.4Å; L109-M112 PolarHBondContact O-N 2.89Å; M112-F114 PolarHBondContact O-N 3.45Å; M112-L115 PolarHBondContact O-N 2.58Å; M112-L116 HydrophobicContact CE-CD1 4.25Å; M112-L116 HydrophobicContact CG-CD1 4.23Å; M112-L116 VanDerWaalsContact O-CG 3.25Å; M112-L116 WeakPolarHBondContact O-CG 3.47Å; M112-L116 PolarHBondContact O-N 3Å; M112-V133 HydrophobicContact CE-CG1 3.6Å; M112-V133 HydrophobicContact SD-CG1 4.35Å; M112-F134 HydrophobicContact CE-CD1 3.94Å; M112-F134 HydrophobicContact CE-CE1 3.53Å; M112-F134 HydrophobicContact SD-CE1 4.37Å; M112-M137 HydrophobicContact CE-CE 4.46Å; M112-M137 HydrophobicContact CE-SD 3.52Å; M112-M137 VanDerWaalsContact CE-SD 3.52Å; M112-L151 HydrophobicContact CE-CD1 3.95Å; M112-I154 HydrophobicContact CB-CG2 4.34Å; M112-I154 HydrophobicContact CG-CG2 3.67Å; M112-F155 HydrophobicContact SD-CE1 4.27Å |
| 113 | K | 93.8 | Very high | 88.9 | Confident | 23 Ų | 23 | 74.6 Ų | 74.6 | 10% | 0.1 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -57.4 | -40.3 | 174.2 | -74.4 | 174.4 | -176.6 | 179.1 | 0 | 111 | L109 G110 L116 R121 L124 D125 Q126 V128 V133 | L109-K113 HydrophobicContact CD1-CD 4.49Å; L109-K113 HydrophobicContact CD1-CG 4.34Å; L109-K113 HydrophobicContact CG-CD 4.34Å; L109-K113 WeakPolarHBondContact O-CB 3.29Å; L109-K113 VanDerWaalsContact O-CG 3.27Å; L109-K113 WeakPolarHBondContact O-CG 3.31Å; L109-K113 PolarHBondContact O-N 2.85Å; G110-K113 PolarHBondContact O-N 3.12Å; K113-L116 PolarHBondContact O-N 2.83Å; K113-R121 PolarHBondContact O-NH1 3.44Å; K113-L124 HydrophobicContact CG-CB 4.39Å; K113-D125 PolarHBondContact NZ-O 3.2Å; K113-Q126 PolarHBondContact NZ-O 3.38Å; K113-V128 VanDerWaalsContact CE-O 3.27Å; K113-V128 WeakPolarHBondContact CE-O 3.39Å; K113-V128 PolarHBondContact NZ-O 3.44Å; K113-V133 HydrophobicContact CG-CG2 4.16Å |
| 114 | F | 92.4 | Very high | 89.4 | Confident | 146 Ų | 146 | 70.6 Ų | 70.6 | 64% | 0.64 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -61.9 | -45.4 | 177.9 | 179.3 | -99.4 | 0 | 0 | 0 | 112.2 | G110 E111 M112 R121 | G110-F114 WeakPolarHBondContact O-CB 3.44Å; G110-F114 PolarHBondContact O-N 3.33Å; E111-F114 WeakPolarHBondContact O-CA 3.41Å; E111-F114 WeakPolarHBondContact O-CB 3.37Å; E111-F114 PolarHBondContact O-N 2.93Å; E111-F114 VanDerWaalsContact O-N 3.12Å; M112-F114 PolarHBondContact O-N 3.45Å; F114-R121 PolarHBondContact O-NH2 3.43Å |
| 115 | L | 92.4 | Very high | 89.5 | Confident | 62 Ų | 62 | 73.6 Ų | 73.6 | 33% | 0.325 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -73 | -22.3 | -178.8 | -66.7 | 177.3 | 0 | 0 | 0 | 114.3 | E111 M112 T117 I154 V158 | E111-L115 WeakPolarHBondContact O-CG 3.43Å; E111-L115 PolarHBondContact O-N 2.92Å; M112-L115 PolarHBondContact O-N 2.58Å; L115-T117 VanDerWaalsContact C-N 3.34Å; L115-T117 PolarHBondContact O-N 2.92Å; L115-I154 HydrophobicContact CB-CD1 3.79Å; L115-I154 HydrophobicContact CD1-CG2 4.49Å; L115-V158 HydrophobicContact CD1-CG2 3.55Å |
| 116 | L | 91.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 38% | 0.379 | C | S | . | . | trans | -72.9 | 81.4 | 176.8 | -72.9 | 167.2 | 0 | 0 | 0 | 111.9 | M112 K113 I119 L124 V133 M137 Y150 | M112-L116 HydrophobicContact CE-CD1 4.25Å; M112-L116 HydrophobicContact CG-CD1 4.23Å; M112-L116 VanDerWaalsContact O-CG 3.25Å; M112-L116 WeakPolarHBondContact O-CG 3.47Å; M112-L116 PolarHBondContact O-N 3Å; K113-L116 PolarHBondContact O-N 2.83Å; L116-I119 HydrophobicContact CD1-CD1 4.27Å; L116-I119 HydrophobicContact CD2-CD1 4.25Å; L116-L124 HydrophobicContact CB-CD1 3.8Å; L116-L124 HydrophobicContact CD1-CD1 4.34Å; L116-L124 HydrophobicContact CD1-CD2 4.35Å; L116-V133 HydrophobicContact CD1-CG1 3.36Å; L116-M137 HydrophobicContact CD1-SD 4.37Å; L116-M137 HydrophobicContact CD2-CE 3.94Å; L116-M137 HydrophobicContact CD2-CG 4.1Å; L116-M137 HydrophobicContact CD2-SD 4.07Å; L116-Y150 HydrophobicContact CD2-CE1 3.68Å | ||
| 117 | T | 88.4 | Confident | 88.8 | Confident | 108 Ų | 108 | 80.3 Ų | 80.3 | 66% | 0.663 | 38% | 0.384 | S | S | * | . | trans | -77.6 | -24.4 | 179.3 | 51.4 | 0 | 0 | 0 | 0 | 113.6 | L115 I119 | L115-T117 VanDerWaalsContact C-N 3.34Å; L115-T117 PolarHBondContact O-N 2.92Å; T117-I119 VanDerWaalsContact C-N 3.31Å; T117-I119 PolarHBondContact O-N 3.41Å | ||
| 118 | D | 89.4 | Confident | 88.7 | Confident | 87 Ų | 87 | 74.9 Ų | 74.9 | 47% | 0.465 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -82.9 | -7.9 | -175 | -58.6 | -65 | 0 | 0 | 0 | 113.1 | M140 L142 Y150 | D118-M140 WeakPolarHBondContact O-CE 3.16Å; D118-L142 HydrophobicContact CB-CD1 3.99Å; D118-L142 HydrophobicContact CB-CD2 4.11Å; D118-Y150 PolarHBondContact OD2-OH 2.92Å |
| 119 | I | 89.6 | Confident | 88.7 | Confident | 4 Ų | 4 | 74 Ų | 74 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -105.1 | 129.5 | 175.8 | -57.2 | 179.3 | 0 | 0 | 0 | 109.8 | L116 T117 R121 K123 L124 E136 M137 M140 L142 | L116-I119 HydrophobicContact CD1-CD1 4.27Å; L116-I119 HydrophobicContact CD2-CD1 4.25Å; T117-I119 VanDerWaalsContact C-N 3.31Å; T117-I119 PolarHBondContact O-N 3.41Å; I119-R121 PolarHBondContact O-N 3.47Å; I119-K123 HydrophobicContact CG2-CB 4Å; I119-L124 HydrophobicContact CB-CD1 3.95Å; I119-L124 HydrophobicContact CB-CD2 4.47Å; I119-L124 HydrophobicContact CB-CG 4.21Å; I119-L124 HydrophobicContact CD1-CD2 4.39Å; I119-L124 HydrophobicContact CG2-CD1 4.07Å; I119-L124 HydrophobicContact CG2-CD2 3.95Å; I119-L124 HydrophobicContact CG2-CG 3.74Å; I119-E136 HydrophobicContact CD1-CB 4.15Å; I119-E136 HydrophobicContact CG2-CB 4.35Å; I119-M137 HydrophobicContact CD1-CB 4.32Å; I119-M137 HydrophobicContact CD1-CG 3.58Å; I119-M140 HydrophobicContact CG1-CG 4.25Å; I119-L142 HydrophobicContact CD1-CD1 4.15Å; I119-L142 HydrophobicContact CG1-CD1 3.81Å |
| 120 | P | 90.1 | Very high | 88.7 | Confident | 53 Ų | 53 | 74.6 Ų | 74.6 | 34% | 0.344 | 36% | 0.364 | S | S | . | . | trans | -56.7 | 130 | 177.5 | -25.8 | 34 | 0 | 0 | 0 | 112.3 | R122 K123 | P120-R122 HydrophobicContact CB-CG 4.12Å; P120-R122 PolarHBondContact O-N 3.47Å; P120-K123 HydrophobicContact CB-CD 4.48Å; P120-K123 HydrophobicContact CG-CD 4.29Å; P120-K123 WeakPolarHBondContact O-CB 3.49Å; P120-K123 PolarHBondContact O-N 2.91Å | ||
| 121 | R | 89 | Confident | 88.8 | Confident | 135 Ų | 135 | 73.2 Ų | 73.2 | 51% | 0.509 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -51.4 | -33.1 | -177.1 | -67.1 | -65.7 | -177.6 | -169 | -6.4 | 114.6 | K113 F114 I119 K123 L124 | K113-R121 PolarHBondContact O-NH1 3.44Å; F114-R121 PolarHBondContact O-NH2 3.43Å; I119-R121 PolarHBondContact O-N 3.47Å; R121-K123 PolarHBondContact O-N 3.29Å; R121-L124 CarbonylContact O-C 3.57Å; R121-L124 PolarHBondContact O-N 2.69Å |
| 122 | R | 85.6 | Confident | 88.6 | Confident | 219 Ų | 219 | 69.7 Ų | 69.7 | 83% | 0.826 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -59.9 | -23.3 | 175.1 | 67.7 | 178.5 | 179.6 | 169.7 | -0.9 | 114.4 | P120 | P120-R122 HydrophobicContact CB-CG 4.12Å; P120-R122 PolarHBondContact O-N 3.47Å |
| 123 | K | 85.7 | Confident | 88.6 | Confident | 53 Ų | 53 | 69.6 Ų | 69.6 | 23% | 0.23 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -92.8 | -5.4 | 177.2 | -67.7 | 176 | 140.5 | -141.5 | 0 | 112.5 | I119 P120 R121 E136 | I119-K123 HydrophobicContact CG2-CB 4Å; P120-K123 HydrophobicContact CB-CD 4.48Å; P120-K123 HydrophobicContact CG-CD 4.29Å; P120-K123 WeakPolarHBondContact O-CB 3.49Å; P120-K123 PolarHBondContact O-N 2.91Å; R121-K123 PolarHBondContact O-N 3.29Å; K123-E136 HydrophobicContact CB-CG 4.37Å; K123-E136 VanDerWaalsContact CD-OE2 3.23Å; K123-E136 WeakPolarHBondContact CD-OE2 3.43Å; K123-E136 VanDerWaalsContact CE-OE2 3.29Å; K123-E136 WeakPolarHBondContact CE-OE2 3.45Å; K123-E136 IonicContact NZ-OE1 2.68Å; K123-E136 IonicContact NZ-OE2 2.77Å; K123-E136 PolarHBondContact NZ-OE2 3.43Å |
| 124 | L | 88.1 | Confident | 88.6 | Confident | 14 Ų | 14 | 68.5 Ų | 68.5 | 7% | 0.073 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -118.4 | 40.6 | 179.1 | -61.6 | 179.4 | 0 | 0 | 0 | 110.9 | K113 L116 I119 R121 V133 | K113-L124 HydrophobicContact CG-CB 4.39Å; L116-L124 HydrophobicContact CB-CD1 3.8Å; L116-L124 HydrophobicContact CD1-CD1 4.34Å; L116-L124 HydrophobicContact CD1-CD2 4.35Å; I119-L124 HydrophobicContact CB-CD1 3.95Å; I119-L124 HydrophobicContact CB-CD2 4.47Å; I119-L124 HydrophobicContact CB-CG 4.21Å; I119-L124 HydrophobicContact CD1-CD2 4.39Å; I119-L124 HydrophobicContact CG2-CD1 4.07Å; I119-L124 HydrophobicContact CG2-CD2 3.95Å; I119-L124 HydrophobicContact CG2-CG 3.74Å; R121-L124 CarbonylContact O-C 3.57Å; R121-L124 PolarHBondContact O-N 2.69Å; L124-V133 HydrophobicContact CD2-CG1 4.31Å; L124-V133 HydrophobicContact CD2-CG2 4.02Å |
| 125 | D | 84.3 | Confident | 88.6 | Confident | 84 Ų | 84 | 63.9 Ų | 63.9 | 45% | 0.449 | 31% | 0.311 | S | S | . | . | trans | -61.7 | 164.1 | 177.5 | -174.7 | 34 | 0 | 0 | 0 | 111.8 | K113 K127 V128 | K113-D125 PolarHBondContact NZ-O 3.2Å; D125-K127 PolarHBondContact O-N 3.07Å; D125-V128 HydrophobicContact CB-CG2 4.26Å; D125-V128 WeakPolarHBondContact O-CB 3.35Å; D125-V128 PolarHBondContact O-N 2.84Å; D125-V128 VanDerWaalsContact O-N 3.09Å | ||
| 126 | Q | 75.3 | Confident | 88.6 | Confident | 180 Ų | 180 | 63.1 Ų | 63.1 | 84% | 0.841 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -32.4 | 178.4 | -76.2 | -176.2 | -11.9 | 0 | 0 | 112.4 | K113 V128 | K113-Q126 PolarHBondContact NZ-O 3.38Å; Q126-V128 VanDerWaalsContact C-N 3.28Å; Q126-V128 PolarHBondContact O-N 2.74Å |
| 127 | K | 79.6 | Confident | 88.7 | Confident | 191 Ų | 191 | 63.1 Ų | 63.1 | 83% | 0.83 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -8.7 | -179.7 | -62.4 | -178.5 | -179.7 | -179.4 | 0 | 115 | D125 S129 | D125-K127 PolarHBondContact O-N 3.07Å; K127-S129 PolarHBondContact O-N 2.94Å |
| 128 | V | 85.6 | Confident | 88.9 | Confident | 34 Ų | 34 | 60.2 Ų | 60.2 | 21% | 0.206 | 29% | 0.285 | C | S | . | . | trans | -79.2 | 120 | -177 | -177.6 | 0 | 0 | 0 | 0 | 109.5 | K113 D125 Q126 V133 | K113-V128 VanDerWaalsContact CE-O 3.27Å; K113-V128 WeakPolarHBondContact CE-O 3.39Å; K113-V128 PolarHBondContact NZ-O 3.44Å; D125-V128 HydrophobicContact CB-CG2 4.26Å; D125-V128 WeakPolarHBondContact O-CB 3.35Å; D125-V128 PolarHBondContact O-N 2.84Å; D125-V128 VanDerWaalsContact O-N 3.09Å; Q126-V128 VanDerWaalsContact C-N 3.28Å; Q126-V128 PolarHBondContact O-N 2.74Å; V128-V133 HydrophobicContact CG1-CG2 3.93Å | ||
| 129 | S | 91 | Very high | 88.9 | Confident | 30 Ų | 30 | 61.7 Ų | 61.7 | 21% | 0.21 | 29% | 0.289 | C | S | . | . | trans | -68.1 | 167.2 | 175.2 | 72.7 | 0 | 0 | 0 | 0 | 111.8 | E20 K127 L131 G132 V133 | E20-S129 WeakPolarHBondContact OE1-CB 3.37Å; E20-S129 PolarHBondContact OE1-OG 2.89Å; K127-S129 PolarHBondContact O-N 2.94Å; S129-L131 VanDerWaalsContact C-N 3.26Å; S129-L131 PolarHBondContact O-N 3.3Å; S129-L131 PolarHBondContact OG-N 3.46Å; S129-G132 WeakPolarHBondContact O-CA 3.32Å; S129-G132 PolarHBondContact O-N 3.48Å; S129-G132 VanDerWaalsContact O-N 3.1Å; S129-G132 PolarHBondContact OG-N 3.11Å; S129-V133 WeakPolarHBondContact O-CG2 3.33Å; S129-V133 PolarHBondContact O-N 3.12Å | ||
| 130 | T | 91.4 | Very high | 89 | Confident | 15 Ų | 15 | 65 Ų | 65 | 9% | 0.092 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.2 | -38 | 172.8 | -50.3 | 0 | 0 | 0 | 0 | 112.4 | I104 L109 V133 F134 | I104-T130 HydrophobicContact CB-CG2 4.28Å; I104-T130 HydrophobicContact CD1-CG2 3.58Å; I104-T130 HydrophobicContact CG2-CG2 4.37Å; L109-T130 HydrophobicContact CD1-CG2 4.44Å; T130-V133 PolarHBondContact O-N 3.07Å; T130-F134 HydrophobicContact CG2-CE1 4.33Å; T130-F134 HydrophobicContact CG2-CE2 3.89Å; T130-F134 HydrophobicContact CG2-CZ 3.76Å; T130-F134 WeakPolarHBondContact O-CG 3.3Å; T130-F134 PolarHBondContact O-N 2.67Å |
| 131 | L | 92.6 | Very high | 89 | Confident | 10 Ų | 10 | 68.4 Ų | 68.4 | 5% | 0.052 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.2 | -41.2 | 174.3 | -67.4 | 176.9 | 0 | 0 | 0 | 111.6 | A21 F24 Y98 S101 S129 V133 F134 L135 | A21-L131 HydrophobicContact CB-CD1 4.26Å; F24-L131 HydrophobicContact CB-CD1 4.13Å; F24-L131 HydrophobicContact CD1-CD2 3.79Å; F24-L131 HydrophobicContact CD2-CB 4.04Å; F24-L131 HydrophobicContact CD2-CD2 4.01Å; F24-L131 HydrophobicContact CE1-CD2 3.92Å; F24-L131 HydrophobicContact CE2-CD2 4.14Å; F24-L131 HydrophobicContact CG-CB 4.35Å; F24-L131 HydrophobicContact CG-CD1 4.3Å; F24-L131 HydrophobicContact CG-CD2 3.85Å; F24-L131 HydrophobicContact CG-CG 4.4Å; F24-L131 HydrophobicContact CZ-CD2 4.1Å; Y98-L131 HydrophobicContact CD2-CD1 4.31Å; Y98-L131 HydrophobicContact CD2-CD2 4.28Å; S101-L131 VanDerWaalsContact OG-CD2 3.31Å; S101-L131 WeakPolarHBondContact OG-CD2 3.08Å; S129-L131 VanDerWaalsContact C-N 3.26Å; S129-L131 PolarHBondContact O-N 3.3Å; S129-L131 PolarHBondContact OG-N 3.46Å; L131-V133 VanDerWaalsContact C-N 3.32Å; L131-V133 PolarHBondContact O-N 3.24Å; L131-F134 PolarHBondContact O-N 3.48Å; L131-L135 WeakPolarHBondContact O-CG 3.45Å; L131-L135 PolarHBondContact O-N 3.21Å |
| 132 | G | 90.3 | Very high | 89.3 | Confident | 14 Ų | 14 | 63.5 Ų | 63.5 | 14% | 0.144 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60 | -41.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S129 L135 E136 | S129-G132 WeakPolarHBondContact O-CA 3.32Å; S129-G132 PolarHBondContact O-N 3.48Å; S129-G132 VanDerWaalsContact O-N 3.1Å; S129-G132 PolarHBondContact OG-N 3.11Å; G132-L135 PolarHBondContact O-N 3.2Å; G132-E136 WeakPolarHBondContact O-CG 3.31Å; G132-E136 PolarHBondContact O-N 3.46Å |
| 133 | V | 93.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 174.7 | 175.4 | 0 | 0 | 0 | 0 | 111.2 | L109 M112 K113 L116 L124 V128 S129 T130 L131 L135 E136 M137 | L109-V133 HydrophobicContact CD1-CG2 3.97Å; M112-V133 HydrophobicContact CE-CG1 3.6Å; M112-V133 HydrophobicContact SD-CG1 4.35Å; K113-V133 HydrophobicContact CG-CG2 4.16Å; L116-V133 HydrophobicContact CD1-CG1 3.36Å; L124-V133 HydrophobicContact CD2-CG1 4.31Å; L124-V133 HydrophobicContact CD2-CG2 4.02Å; V128-V133 HydrophobicContact CG1-CG2 3.93Å; S129-V133 WeakPolarHBondContact O-CG2 3.33Å; S129-V133 PolarHBondContact O-N 3.12Å; T130-V133 PolarHBondContact O-N 3.07Å; L131-V133 VanDerWaalsContact C-N 3.32Å; L131-V133 PolarHBondContact O-N 3.24Å; V133-L135 VanDerWaalsContact C-N 3.34Å; V133-L135 PolarHBondContact O-N 3.3Å; V133-E136 PolarHBondContact O-N 3.17Å; V133-M137 HydrophobicContact CG1-CG 4.37Å; V133-M137 HydrophobicContact CG1-SD 4.11Å; V133-M137 VanDerWaalsContact O-CG 3.31Å; V133-M137 WeakPolarHBondContact O-CG 3.22Å; V133-M137 PolarHBondContact O-N 3.45Å |
| 134 | F | 94.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62 | -39.8 | 176.6 | -64.2 | -28.7 | 0 | 0 | 0 | 112.7 | F24 L97 L100 I104 M112 T130 L131 E136 M137 E138 I143 L151 F155 | F24-F134 HydrophobicContact CE2-CB 4.47Å; L97-F134 HydrophobicContact CB-CD2 3.97Å; L97-F134 HydrophobicContact CB-CE2 4.44Å; L97-F134 HydrophobicContact CD1-CB 4.28Å; L97-F134 HydrophobicContact CD2-CD2 4.25Å; L97-F134 HydrophobicContact CD2-CG 4.31Å; L97-F134 WeakPolarHBondContact O-CE2 3.4Å; L100-F134 HydrophobicContact CB-CE2 4.16Å; L100-F134 HydrophobicContact CB-CZ 4.11Å; I104-F134 HydrophobicContact CD1-CZ 4.04Å; M112-F134 HydrophobicContact CE-CD1 3.94Å; M112-F134 HydrophobicContact CE-CE1 3.53Å; M112-F134 HydrophobicContact SD-CE1 4.37Å; T130-F134 HydrophobicContact CG2-CE1 4.33Å; T130-F134 HydrophobicContact CG2-CE2 3.89Å; T130-F134 HydrophobicContact CG2-CZ 3.76Å; T130-F134 WeakPolarHBondContact O-CG 3.3Å; T130-F134 PolarHBondContact O-N 2.67Å; L131-F134 PolarHBondContact O-N 3.48Å; F134-E136 VanDerWaalsContact C-N 3.32Å; F134-E136 PolarHBondContact O-N 3.37Å; F134-M137 HydrophobicContact CD1-SD 4.07Å; F134-M137 PolarHBondContact O-N 3.38Å; F134-E138 WeakPolarHBondContact O-CB 3.46Å; F134-E138 PolarHBondContact O-N 3.48Å; F134-I143 HydrophobicContact CB-CD1 4.34Å; F134-L151 HydrophobicContact CD1-CD1 4.29Å; F134-L151 HydrophobicContact CE1-CD1 3.7Å; F134-L151 HydrophobicContact CE1-CD2 4.27Å; F134-F155 HydrophobicContact CE1-CZ 4.18Å; F134-F155 HydrophobicContact CZ-CZ 4.03Å |
| 135 | L | 91.8 | Very high | 90.1 | Very high | 48 Ų | 48 | 57.6 Ų | 57.6 | 25% | 0.251 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.2 | -37.6 | 174.4 | -72.2 | 174.1 | 0 | 0 | 0 | 112.4 | F24 T27 L131 G132 V133 E138 H139 | F24-L135 HydrophobicContact CD2-CD1 3.98Å; F24-L135 HydrophobicContact CD2-CD2 3.85Å; F24-L135 HydrophobicContact CD2-CG 3.73Å; F24-L135 HydrophobicContact CE2-CD2 3.81Å; F24-L135 HydrophobicContact CE2-CG 3.81Å; T27-L135 HydrophobicContact CG2-CD2 4.2Å; L131-L135 WeakPolarHBondContact O-CG 3.45Å; L131-L135 PolarHBondContact O-N 3.21Å; G132-L135 PolarHBondContact O-N 3.2Å; V133-L135 VanDerWaalsContact C-N 3.34Å; V133-L135 PolarHBondContact O-N 3.3Å; L135-E138 PolarHBondContact O-N 2.89Å; L135-H139 WeakPolarHBondContact O-CB 3.15Å; L135-H139 PolarHBondContact O-N 2.68Å |
| 136 | E | 92.4 | Very high | 90.2 | Very high | 47 Ų | 47 | 58.8 Ų | 58.8 | 22% | 0.22 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.5 | -39.2 | 175 | -72.8 | -63 | 155 | 0 | 0 | 111.9 | I119 K123 G132 V133 F134 E138 H139 M140 | I119-E136 HydrophobicContact CD1-CB 4.15Å; I119-E136 HydrophobicContact CG2-CB 4.35Å; K123-E136 HydrophobicContact CB-CG 4.37Å; K123-E136 VanDerWaalsContact CD-OE2 3.23Å; K123-E136 WeakPolarHBondContact CD-OE2 3.43Å; K123-E136 VanDerWaalsContact CE-OE2 3.29Å; K123-E136 WeakPolarHBondContact CE-OE2 3.45Å; K123-E136 IonicContact NZ-OE1 2.68Å; K123-E136 IonicContact NZ-OE2 2.77Å; K123-E136 PolarHBondContact NZ-OE2 3.43Å; G132-E136 WeakPolarHBondContact O-CG 3.31Å; G132-E136 PolarHBondContact O-N 3.46Å; V133-E136 PolarHBondContact O-N 3.17Å; F134-E136 VanDerWaalsContact C-N 3.32Å; F134-E136 PolarHBondContact O-N 3.37Å; E136-E138 VanDerWaalsContact C-N 3.32Å; E136-E138 PolarHBondContact O-N 2.97Å; E136-H139 PolarHBondContact O-N 2.9Å; E136-M140 WeakPolarHBondContact O-CB 3.43Å; E136-M140 WeakPolarHBondContact O-CG 3.22Å; E136-M140 PolarHBondContact O-N 2.86Å |
| 137 | M | 93.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.7 | -41.8 | 173.1 | -67.9 | 173.1 | 77.6 | 0 | 0 | 111.4 | M112 L116 I119 V133 F134 M140 D141 L142 I143 Y150 L151 | M112-M137 HydrophobicContact CE-CE 4.46Å; M112-M137 HydrophobicContact CE-SD 3.52Å; M112-M137 VanDerWaalsContact CE-SD 3.52Å; L116-M137 HydrophobicContact CD1-SD 4.37Å; L116-M137 HydrophobicContact CD2-CE 3.94Å; L116-M137 HydrophobicContact CD2-CG 4.1Å; L116-M137 HydrophobicContact CD2-SD 4.07Å; I119-M137 HydrophobicContact CD1-CB 4.32Å; I119-M137 HydrophobicContact CD1-CG 3.58Å; V133-M137 HydrophobicContact CG1-CG 4.37Å; V133-M137 HydrophobicContact CG1-SD 4.11Å; V133-M137 VanDerWaalsContact O-CG 3.31Å; V133-M137 WeakPolarHBondContact O-CG 3.22Å; V133-M137 PolarHBondContact O-N 3.45Å; F134-M137 HydrophobicContact CD1-SD 4.07Å; F134-M137 PolarHBondContact O-N 3.38Å; M137-M140 CarbonylContact O-C 3.49Å; M137-M140 PolarHBondContact O-N 3.42Å; M137-D141 PolarHBondContact O-N 3.43Å; M137-L142 HydrophobicContact CB-CB 4.38Å; M137-L142 WeakPolarHBondContact O-CB 3.26Å; M137-L142 PolarHBondContact O-N 3.44Å; M137-I143 HydrophobicContact CB-CD1 3.69Å; M137-I143 HydrophobicContact CB-CG1 3.7Å; M137-I143 HydrophobicContact CB-CG2 4.45Å; M137-I143 HydrophobicContact CE-CD1 4.5Å; M137-I143 HydrophobicContact CE-CG2 3.73Å; M137-I143 HydrophobicContact SD-CD1 4.34Å; M137-Y150 HydrophobicContact CE-CD1 3.73Å; M137-Y150 HydrophobicContact CE-CE1 4.05Å; M137-L151 HydrophobicContact CE-CB 4.27Å; M137-L151 HydrophobicContact CE-CD1 3.88Å; M137-L151 HydrophobicContact SD-CD1 4.24Å |
| 138 | E | 92.6 | Very high | 91.5 | Very high | 47 Ų | 47 | 43.2 Ų | 43.2 | 22% | 0.22 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.9 | -42.7 | 175.9 | -172.9 | -172.5 | 119.1 | 0 | 0 | 112 | R94 F134 L135 E136 M140 D141 I143 | R94-E138 IonicContact CZ-OE1 3.65Å; R94-E138 IonicContact CZ-OE2 3.37Å; R94-E138 IonicContact NH1-OE1 2.79Å; R94-E138 IonicContact NH1-OE2 3.21Å; R94-E138 PolarHBondContact NH1-OE2 3.24Å; R94-E138 IonicContact NH2-OE1 2.72Å; R94-E138 PolarHBondContact NH2-OE1 2.95Å; R94-E138 IonicContact NH2-OE2 3.58Å; R94-E138 PolarHBondContact NH2-OE2 3.39Å; F134-E138 WeakPolarHBondContact O-CB 3.46Å; F134-E138 PolarHBondContact O-N 3.48Å; L135-E138 PolarHBondContact O-N 2.89Å; E136-E138 VanDerWaalsContact C-N 3.32Å; E136-E138 PolarHBondContact O-N 2.97Å; E138-M140 PolarHBondContact O-N 3.21Å; E138-D141 WeakPolarHBondContact O-CA 3.33Å; E138-D141 PolarHBondContact O-N 3.44Å; E138-I143 HydrophobicContact CB-CG1 4.3Å |
| 139 | H | 90.4 | Very high | 91.9 | Very high | 118 Ų | 118 | 46.1 Ų | 46.1 | 55% | 0.546 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.5 | -29.7 | 175.9 | -179.1 | -74.9 | 0 | 0 | 0 | 112.4 | L135 E136 D141 | L135-H139 WeakPolarHBondContact O-CB 3.15Å; L135-H139 PolarHBondContact O-N 2.68Å; E136-H139 PolarHBondContact O-N 2.9Å; H139-D141 VanDerWaalsContact C-N 3.29Å |
| 140 | M | 90.7 | Very high | 92 | Very high | 73 Ų | 73 | 47.3 Ų | 47.3 | 36% | 0.36 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 6.7 | 175.9 | -62.2 | -64.1 | -67.2 | 0 | 0 | 112.6 | D118 I119 E136 M137 E138 L142 | D118-M140 WeakPolarHBondContact O-CE 3.16Å; I119-M140 HydrophobicContact CG1-CG 4.25Å; E136-M140 WeakPolarHBondContact O-CB 3.43Å; E136-M140 WeakPolarHBondContact O-CG 3.22Å; E136-M140 PolarHBondContact O-N 2.86Å; M137-M140 CarbonylContact O-C 3.49Å; M137-M140 PolarHBondContact O-N 3.42Å; E138-M140 PolarHBondContact O-N 3.21Å; M140-L142 HydrophobicContact CB-CD1 4.08Å; M140-L142 HydrophobicContact CB-CG 3.94Å; M140-L142 PolarHBondContact O-N 3.38Å |
| 141 | D | 91.5 | Very high | 92.2 | Very high | 124 Ų | 124 | 46.6 Ų | 46.6 | 66% | 0.663 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57 | 28.9 | 179.3 | -143.5 | 5.6 | 0 | 0 | 0 | 113.5 | M137 E138 H139 | M137-D141 PolarHBondContact O-N 3.43Å; E138-D141 WeakPolarHBondContact O-CA 3.33Å; E138-D141 PolarHBondContact O-N 3.44Å; H139-D141 VanDerWaalsContact C-N 3.29Å |
| 142 | L | 93.9 | Very high | 92.2 | Very high | 33 Ų | 33 | 48 Ų | 48 | 17% | 0.173 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -82.7 | -27.1 | 177 | -58.6 | 175.7 | 0 | 0 | 0 | 111.7 | D118 I119 M137 M140 Y150 | D118-L142 HydrophobicContact CB-CD1 3.99Å; D118-L142 HydrophobicContact CB-CD2 4.11Å; I119-L142 HydrophobicContact CD1-CD1 4.15Å; I119-L142 HydrophobicContact CG1-CD1 3.81Å; M137-L142 HydrophobicContact CB-CB 4.38Å; M137-L142 WeakPolarHBondContact O-CB 3.26Å; M137-L142 PolarHBondContact O-N 3.44Å; M140-L142 HydrophobicContact CB-CD1 4.08Å; M140-L142 HydrophobicContact CB-CG 3.94Å; M140-L142 PolarHBondContact O-N 3.38Å; L142-Y150 HydrophobicContact CB-CD1 3.84Å; L142-Y150 HydrophobicContact CB-CE1 4.18Å; L142-Y150 HydrophobicContact CB-CG 4.48Å; L142-Y150 HydrophobicContact CD1-CD1 4.31Å; L142-Y150 HydrophobicContact CD1-CE1 3.78Å; L142-Y150 HydrophobicContact CG-CD1 4.5Å; L142-Y150 HydrophobicContact CG-CE1 4.39Å |
| 143 | I | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -138.4 | 146.1 | 177.6 | 65.5 | 175.7 | 0 | 0 | 0 | 110.5 | L97 F134 M137 E138 S147 L148 L151 | L97-I143 HydrophobicContact CD1-CD1 4.41Å; L97-I143 HydrophobicContact CD2-CD1 4.32Å; F134-I143 HydrophobicContact CB-CD1 4.34Å; M137-I143 HydrophobicContact CB-CD1 3.69Å; M137-I143 HydrophobicContact CB-CG1 3.7Å; M137-I143 HydrophobicContact CB-CG2 4.45Å; M137-I143 HydrophobicContact CE-CD1 4.5Å; M137-I143 HydrophobicContact CE-CG2 3.73Å; M137-I143 HydrophobicContact SD-CD1 4.34Å; E138-I143 HydrophobicContact CB-CG1 4.3Å; I143-S147 CarbonylContact C-O 3.57Å; I143-S147 VanDerWaalsContact CA-O 3.3Å; I143-S147 WeakPolarHBondContact CA-O 3.41Å; I143-L148 HydrophobicContact CB-CD2 4.28Å; I143-L151 HydrophobicContact CG2-CB 3.88Å | ||
| 144 | N | 92.7 | Very high | 92.5 | Very high | 54 Ų | 54 | 50.6 Ų | 50.6 | 29% | 0.289 | 27% | 0.266 | S | S | . | . | B | Isolated β-bridge | trans | -156.5 | -175.7 | 169.2 | 60.8 | 55.4 | 0 | 0 | 0 | 110.1 | Y93 S146 S147 | Y93-N144 VanDerWaalsContact CE2-O 3.25Å; Y93-N144 WeakPolarHBondContact CE2-O 3.29Å; Y93-N144 VanDerWaalsContact CZ-C 3.49Å; Y93-N144 VanDerWaalsContact OH-CA 3.31Å; Y93-N144 WeakPolarHBondContact OH-CA 3.28Å; Y93-N144 PolarHBondContact OH-N 2.97Å; N144-S146 PolarHBondContact O-N 3.28Å; N144-S146 VanDerWaalsContact O-N 3.11Å; N144-S146 PolarHBondContact OD1-N 2.88Å; N144-S147 PolarHBondContact N-O 3.41Å; N144-S147 CarbonylContact O-C 3.57Å; N144-S147 PolarHBondContact O-N 3.4Å; N144-S147 VanDerWaalsContact O-O 3.09Å; N144-S147 WeakPolarHBondContact OD1-CB 3.36Å; N144-S147 PolarHBondContact OD1-N 2.74Å |
| 145 | E | 88.6 | Confident | 92.4 | Very high | 108 Ų | 108 | 50.6 Ų | 50.6 | 51% | 0.505 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -32.1 | -178.1 | -168.9 | 170.8 | -166.8 | 0 | 0 | 114 | Y93 Y169 | Y93-E145 HydrophobicContact CD2-CB 4.34Å; Y93-E145 HydrophobicContact CG-CB 4.23Å; Y93-E145 HydrophobicContact CG-CG 4.41Å; E145-Y169 WeakPolarHBondContact CG-OH 3.25Å; E145-Y169 PolarHBondContact O-OH 2.86Å |
| 146 | S | 85.4 | Confident | 92.4 | Very high | 109 Ų | 109 | 55.7 Ų | 55.7 | 76% | 0.762 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | -13.8 | -175.8 | -59.2 | 0 | 0 | 0 | 0 | 113.8 | N144 | N144-S146 PolarHBondContact O-N 3.28Å; N144-S146 VanDerWaalsContact O-N 3.11Å; N144-S146 PolarHBondContact OD1-N 2.88Å |
| 147 | S | 90.5 | Very high | 92.2 | Very high | 42 Ų | 42 | 57.7 Ų | 57.7 | 29% | 0.294 | 31% | 0.306 | S | S | . | . | B | Isolated β-bridge | trans | -131.2 | 104.3 | -172.4 | -176.9 | 0 | 0 | 0 | 0 | 109.8 | I143 N144 E149 | I143-S147 CarbonylContact C-O 3.57Å; I143-S147 VanDerWaalsContact CA-O 3.3Å; I143-S147 WeakPolarHBondContact CA-O 3.41Å; N144-S147 PolarHBondContact N-O 3.41Å; N144-S147 CarbonylContact O-C 3.57Å; N144-S147 PolarHBondContact O-N 3.4Å; N144-S147 VanDerWaalsContact O-O 3.09Å; N144-S147 WeakPolarHBondContact OD1-CB 3.36Å; N144-S147 PolarHBondContact OD1-N 2.74Å; S147-E149 VanDerWaalsContact CA-OE2 3.27Å; S147-E149 WeakPolarHBondContact CA-OE2 3.42Å; S147-E149 PolarHBondContact OG-OE2 3.44Å |
| 148 | L | 93.4 | Very high | 91.9 | Very high | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | trans | -125.4 | 3.4 | -178.8 | -75.6 | 175.4 | 0 | 0 | 0 | 112.6 | Y93 L96 I143 Y150 L151 E152 I166 Y169 | Y93-L148 HydrophobicContact CE2-CD2 3.91Å; Y93-L148 HydrophobicContact CE2-CG 4.48Å; L96-L148 HydrophobicContact CD2-CD1 3.62Å; I143-L148 HydrophobicContact CB-CD2 4.28Å; L148-Y150 VanDerWaalsContact C-N 3.27Å; L148-Y150 PolarHBondContact O-N 2.98Å; L148-L151 HydrophobicContact CD2-CD2 4.09Å; L148-L151 WeakPolarHBondContact O-CB 3.41Å; L148-L151 PolarHBondContact O-N 3.19Å; L148-L151 VanDerWaalsContact O-N 3.1Å; L148-E152 WeakPolarHBondContact O-CG 3.27Å; L148-E152 PolarHBondContact O-N 3.24Å; L148-I166 HydrophobicContact CB-CG2 3.91Å; L148-I166 HydrophobicContact CD1-CG2 3.74Å; L148-I166 HydrophobicContact CG-CG2 4.47Å; L148-Y169 HydrophobicContact CD1-CD1 3.87Å; L148-Y169 HydrophobicContact CD1-CE1 3.94Å | ||
| 149 | E | 93.6 | Very high | 91.6 | Very high | 95 Ų | 95 | 56.7 Ų | 56.7 | 44% | 0.444 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.1 | -37.5 | -173.6 | -64.3 | 67.4 | -145.4 | 0 | 0 | 111.6 | S147 E152 S153 R170 | S147-E149 VanDerWaalsContact CA-OE2 3.27Å; S147-E149 WeakPolarHBondContact CA-OE2 3.42Å; S147-E149 PolarHBondContact OG-OE2 3.44Å; E149-E152 PolarHBondContact O-N 3.31Å; E149-S153 WeakPolarHBondContact O-CB 3.33Å; E149-S153 PolarHBondContact O-N 2.7Å; E149-R170 VanDerWaalsContact CD-NH2 3.33Å; E149-R170 IonicContact OE1-CZ 2.71Å; E149-R170 IonicContact OE1-NH2 3.04Å; E149-R170 PolarHBondContact OE1-NH2 3.16Å |
| 150 | Y | 93.4 | Very high | 91.3 | Very high | 55 Ų | 55 | 55 Ų | 55 | 22% | 0.216 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.6 | -44.8 | 176.9 | -171.7 | -104.8 | 0 | 0 | 0 | 111.1 | L116 D118 M137 L142 L148 E152 S153 I154 | L116-Y150 HydrophobicContact CD2-CE1 3.68Å; D118-Y150 PolarHBondContact OD2-OH 2.92Å; M137-Y150 HydrophobicContact CE-CD1 3.73Å; M137-Y150 HydrophobicContact CE-CE1 4.05Å; L142-Y150 HydrophobicContact CB-CD1 3.84Å; L142-Y150 HydrophobicContact CB-CE1 4.18Å; L142-Y150 HydrophobicContact CB-CG 4.48Å; L142-Y150 HydrophobicContact CD1-CD1 4.31Å; L142-Y150 HydrophobicContact CD1-CE1 3.78Å; L142-Y150 HydrophobicContact CG-CD1 4.5Å; L142-Y150 HydrophobicContact CG-CE1 4.39Å; L148-Y150 VanDerWaalsContact C-N 3.27Å; L148-Y150 PolarHBondContact O-N 2.98Å; Y150-E152 PolarHBondContact O-N 2.94Å; Y150-S153 WeakPolarHBondContact O-CB 3.34Å; Y150-S153 PolarHBondContact O-N 3.37Å; Y150-S153 PolarHBondContact O-OG 3.02Å; Y150-I154 HydrophobicContact CE1-CG1 4.5Å; Y150-I154 WeakPolarHBondContact O-CG1 3.27Å; Y150-I154 PolarHBondContact O-N 3.25Å |
| 151 | L | 94.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 175 | -175.9 | 60.1 | 0 | 0 | 0 | 111.9 | L97 L100 M112 F134 M137 I143 L148 S153 I154 F155 I166 | L97-L151 HydrophobicContact CD2-CD2 3.99Å; L100-L151 HydrophobicContact CD1-CD2 4.11Å; M112-L151 HydrophobicContact CE-CD1 3.95Å; F134-L151 HydrophobicContact CD1-CD1 4.29Å; F134-L151 HydrophobicContact CE1-CD1 3.7Å; F134-L151 HydrophobicContact CE1-CD2 4.27Å; M137-L151 HydrophobicContact CE-CB 4.27Å; M137-L151 HydrophobicContact CE-CD1 3.88Å; M137-L151 HydrophobicContact SD-CD1 4.24Å; I143-L151 HydrophobicContact CG2-CB 3.88Å; L148-L151 HydrophobicContact CD2-CD2 4.09Å; L148-L151 WeakPolarHBondContact O-CB 3.41Å; L148-L151 PolarHBondContact O-N 3.19Å; L148-L151 VanDerWaalsContact O-N 3.1Å; L151-S153 VanDerWaalsContact C-N 3.26Å; L151-S153 PolarHBondContact O-N 3.21Å; L151-I154 PolarHBondContact O-N 3.2Å; L151-F155 HydrophobicContact CD1-CD1 4.36Å; L151-F155 HydrophobicContact CD1-CD2 4.42Å; L151-F155 HydrophobicContact CD1-CE1 3.83Å; L151-F155 HydrophobicContact CD1-CE2 3.88Å; L151-F155 HydrophobicContact CD1-CZ 3.57Å; L151-F155 HydrophobicContact CD2-CE2 3.99Å; L151-F155 HydrophobicContact CD2-CZ 4.25Å; L151-F155 HydrophobicContact CG-CD2 4.12Å; L151-F155 HydrophobicContact CG-CE2 3.71Å; L151-F155 HydrophobicContact CG-CZ 3.95Å; L151-F155 PolarHBondContact O-N 2.93Å; L151-I166 HydrophobicContact CD2-CD1 4.09Å; L151-I166 HydrophobicContact CG-CD1 4.15Å |
| 152 | E | 93.7 | Very high | 90 | Very high | 38 Ų | 38 | 50.1 Ų | 50.1 | 18% | 0.178 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.6 | -37.3 | 176.3 | -71.3 | -179.8 | 140.6 | 0 | 0 | 112.3 | L148 E149 Y150 I154 F155 K156 N163 I166 R170 | L148-E152 WeakPolarHBondContact O-CG 3.27Å; L148-E152 PolarHBondContact O-N 3.24Å; E149-E152 PolarHBondContact O-N 3.31Å; Y150-E152 PolarHBondContact O-N 2.94Å; E152-I154 VanDerWaalsContact C-N 3.34Å; E152-F155 PolarHBondContact O-N 3.26Å; E152-K156 WeakPolarHBondContact O-CB 3.43Å; E152-K156 PolarHBondContact O-N 2.72Å; E152-N163 WeakPolarHBondContact CA-OD1 3.5Å; E152-N163 WeakPolarHBondContact CB-OD1 3.5Å; E152-N163 PolarHBondContact O-ND2 3.21Å; E152-N163 PolarHBondContact O-OD1 3.19Å; E152-I166 HydrophobicContact CG-CB 4.2Å; E152-I166 HydrophobicContact CG-CD1 3.65Å; E152-I166 HydrophobicContact CG-CG2 3.78Å; E152-I166 WeakPolarHBondContact OE1-CG2 3.45Å; E152-R170 IonicContact OE1-CZ 3.92Å; E152-R170 IonicContact OE1-NH1 2.68Å; E152-R170 PolarHBondContact OE1-NH1 3.01Å; E152-R170 IonicContact OE1-NH2 3.96Å; E152-R170 IonicContact OE2-CZ 3.58Å; E152-R170 IonicContact OE2-NH1 2.99Å; E152-R170 PolarHBondContact OE2-NH1 3.14Å; E152-R170 IonicContact OE2-NH2 3.25Å; E152-R170 PolarHBondContact OE2-NH2 3.17Å |
| 153 | S | 94.9 | Very high | 89.7 | Confident | 58 Ų | 58 | 50.2 Ų | 50.2 | 41% | 0.406 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.9 | -39 | 177.8 | 81.2 | 0 | 0 | 0 | 0 | 112 | E149 Y150 L151 | E149-S153 WeakPolarHBondContact O-CB 3.33Å; E149-S153 PolarHBondContact O-N 2.7Å; Y150-S153 WeakPolarHBondContact O-CB 3.34Å; Y150-S153 PolarHBondContact O-N 3.37Å; Y150-S153 PolarHBondContact O-OG 3.02Å; L151-S153 VanDerWaalsContact C-N 3.26Å; L151-S153 PolarHBondContact O-N 3.21Å |
| 154 | I | 93.9 | Very high | 88.8 | Confident | 11 Ų | 11 | 54.6 Ų | 54.6 | 6% | 0.056 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.8 | -48.1 | 176.3 | -60.4 | -67.2 | 0 | 0 | 0 | 110.1 | M112 L115 Y150 L151 E152 K156 S157 V158 | M112-I154 HydrophobicContact CB-CG2 4.34Å; M112-I154 HydrophobicContact CG-CG2 3.67Å; L115-I154 HydrophobicContact CB-CD1 3.79Å; L115-I154 HydrophobicContact CD1-CG2 4.49Å; Y150-I154 HydrophobicContact CE1-CG1 4.5Å; Y150-I154 WeakPolarHBondContact O-CG1 3.27Å; Y150-I154 PolarHBondContact O-N 3.25Å; L151-I154 PolarHBondContact O-N 3.2Å; E152-I154 VanDerWaalsContact C-N 3.34Å; I154-K156 VanDerWaalsContact C-N 3.26Å; I154-K156 PolarHBondContact O-N 2.83Å; I154-S157 PolarHBondContact O-N 3.36Å; I154-V158 HydrophobicContact CG2-CG2 4.25Å; I154-V158 PolarHBondContact O-N 3.08Å |
| 155 | F | 93.6 | Very high | 88.1 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 0% | 0.004 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.8 | -30.6 | 177.5 | -70.5 | -15.3 | 0 | 0 | 0 | 113.3 | L100 I104 M112 F134 L151 E152 S157 V158 C159 P160 L162 I166 | L100-F155 HydrophobicContact CB-CE2 4.38Å; L100-F155 HydrophobicContact CB-CZ 4.37Å; L100-F155 HydrophobicContact CD1-CE2 3.99Å; L100-F155 HydrophobicContact CD2-CE2 3.88Å; L100-F155 HydrophobicContact CG-CE2 4.31Å; I104-F155 HydrophobicContact CD1-CE1 3.66Å; I104-F155 HydrophobicContact CD1-CZ 3.76Å; M112-F155 HydrophobicContact SD-CE1 4.27Å; F134-F155 HydrophobicContact CE1-CZ 4.18Å; F134-F155 HydrophobicContact CZ-CZ 4.03Å; L151-F155 HydrophobicContact CD1-CD1 4.36Å; L151-F155 HydrophobicContact CD1-CD2 4.42Å; L151-F155 HydrophobicContact CD1-CE1 3.83Å; L151-F155 HydrophobicContact CD1-CE2 3.88Å; L151-F155 HydrophobicContact CD1-CZ 3.57Å; L151-F155 HydrophobicContact CD2-CE2 3.99Å; L151-F155 HydrophobicContact CD2-CZ 4.25Å; L151-F155 HydrophobicContact CG-CD2 4.12Å; L151-F155 HydrophobicContact CG-CE2 3.71Å; L151-F155 HydrophobicContact CG-CZ 3.95Å; L151-F155 PolarHBondContact O-N 2.93Å; E152-F155 PolarHBondContact O-N 3.26Å; F155-S157 PolarHBondContact O-N 3.08Å; F155-V158 PolarHBondContact O-N 3.48Å; F155-C159 WeakPolarHBondContact CD1-SG 3.43Å; F155-C159 CarbonylContact O-C 3.49Å; F155-C159 WeakPolarHBondContact O-CA 3.39Å; F155-C159 PolarHBondContact O-N 3.05Å; F155-P160 VanDerWaalsContact O-CA 3.31Å; F155-P160 WeakPolarHBondContact O-CA 3.39Å; F155-L162 HydrophobicContact CD2-CB 3.85Å; F155-L162 HydrophobicContact CE2-CB 4.11Å; F155-L162 HydrophobicContact CE2-CD1 4.42Å; F155-L162 HydrophobicContact CG-CB 4.3Å; F155-L162 HydrophobicContact CZ-CD1 4.31Å; F155-I166 HydrophobicContact CD2-CD1 3.88Å; F155-I166 HydrophobicContact CE2-CD1 4.02Å |
| 156 | K | 91.9 | Very high | 87.9 | Confident | 154 Ų | 154 | 48.7 Ų | 48.7 | 67% | 0.67 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -59.2 | -27.8 | 173.5 | -172.2 | 178.2 | 179.8 | -178 | 0 | 112.8 | E152 I154 N163 | E152-K156 WeakPolarHBondContact O-CB 3.43Å; E152-K156 PolarHBondContact O-N 2.72Å; I154-K156 VanDerWaalsContact C-N 3.26Å; I154-K156 PolarHBondContact O-N 2.83Å; K156-N163 PolarHBondContact N-ND2 3.27Å |
| 157 | S | 87.6 | Confident | 87.7 | Confident | 90 Ų | 90 | 47.5 Ų | 47.5 | 63% | 0.629 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -94.6 | -34.8 | 179.1 | -68.4 | 0 | 0 | 0 | 0 | 113.3 | I154 F155 | I154-S157 PolarHBondContact O-N 3.36Å; F155-S157 PolarHBondContact O-N 3.08Å |
| 158 | V | 87.9 | Confident | 87 | Confident | 16 Ų | 16 | 46.9 Ų | 46.9 | 10% | 0.097 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -95.7 | -53.3 | -173.7 | 179.1 | 0 | 0 | 0 | 0 | 111.8 | E108 E111 L115 I154 F155 | E108-V158 HydrophobicContact CB-CG1 3.57Å; E108-V158 HydrophobicContact CG-CG1 3.87Å; E108-V158 WeakPolarHBondContact O-CG1 3.09Å; E111-V158 HydrophobicContact CB-CG1 4.12Å; E111-V158 HydrophobicContact CB-CG2 3.98Å; L115-V158 HydrophobicContact CD1-CG2 3.55Å; I154-V158 HydrophobicContact CG2-CG2 4.25Å; I154-V158 PolarHBondContact O-N 3.08Å; F155-V158 PolarHBondContact O-N 3.48Å |
| 159 | C | 86.2 | Confident | 86.5 | Confident | 10 Ų | 10 | 48.2 Ų | 48.2 | 7% | 0.068 | 26% | 0.259 | C | S | . | . | trans | -145.4 | 77.6 | -172.8 | 49.4 | 0 | 0 | 0 | 0 | 111.3 | E108 F155 A161 L162 | E108-C159 WeakPolarHBondContact OE1-CB 3.46Å; F155-C159 WeakPolarHBondContact CD1-SG 3.43Å; F155-C159 CarbonylContact O-C 3.49Å; F155-C159 WeakPolarHBondContact O-CA 3.39Å; F155-C159 PolarHBondContact O-N 3.05Å; C159-A161 PolarHBondContact O-N 2.86Å; C159-L162 HydrophobicContact CB-CD1 4.31Å; C159-L162 HydrophobicContact CB-CG 4.27Å; C159-L162 PolarHBondContact O-N 3.22Å; C159-L162 VanDerWaalsContact O-N 3.1Å; C159-L162 VanDerWaalsContact SG-CD1 3.59Å | ||
| 160 | P | 83.1 | Confident | 85.9 | Confident | 83 Ų | 83 | 49 Ų | 49 | 54% | 0.539 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -60.6 | -24.9 | -168.6 | -25.1 | 33.1 | 0 | 0 | 0 | 114.9 | F155 L162 N163 | F155-P160 VanDerWaalsContact O-CA 3.31Å; F155-P160 WeakPolarHBondContact O-CA 3.39Å; P160-L162 VanDerWaalsContact C-N 3.25Å; P160-L162 PolarHBondContact O-N 3.09Å; P160-N163 WeakPolarHBondContact O-CB 3.44Å; P160-N163 PolarHBondContact O-N 2.88Å |
| 161 | A | 73.2 | Confident | 85 | Confident | 85 Ų | 85 | 52.3 Ų | 52.3 | 70% | 0.702 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -61.6 | -31.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | C159 N163 E164 | C159-A161 PolarHBondContact O-N 2.86Å; A161-N163 PolarHBondContact O-N 3.48Å; A161-E164 PolarHBondContact O-N 2.86Å |
| 162 | L | 82.9 | Confident | 83.7 | Confident | 9 Ų | 9 | 55.1 Ų | 55.1 | 5% | 0.047 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -72.3 | -16.3 | -176.8 | -61.3 | -168.6 | 0 | 0 | 0 | 113.7 | L100 Q103 I104 F155 C159 P160 E164 E165 | L100-L162 HydrophobicContact CD2-CB 3.96Å; Q103-L162 HydrophobicContact CB-CD1 4.32Å; Q103-L162 HydrophobicContact CB-CD2 3.61Å; Q103-L162 HydrophobicContact CG-CD2 4.35Å; I104-L162 HydrophobicContact CD1-CD1 4.07Å; I104-L162 HydrophobicContact CG1-CD1 3.56Å; F155-L162 HydrophobicContact CD2-CB 3.85Å; F155-L162 HydrophobicContact CE2-CB 4.11Å; F155-L162 HydrophobicContact CE2-CD1 4.42Å; F155-L162 HydrophobicContact CG-CB 4.3Å; F155-L162 HydrophobicContact CZ-CD1 4.31Å; C159-L162 HydrophobicContact CB-CD1 4.31Å; C159-L162 HydrophobicContact CB-CG 4.27Å; C159-L162 PolarHBondContact O-N 3.22Å; C159-L162 VanDerWaalsContact O-N 3.1Å; C159-L162 VanDerWaalsContact SG-CD1 3.59Å; P160-L162 VanDerWaalsContact C-N 3.25Å; P160-L162 PolarHBondContact O-N 3.09Å; L162-E164 PolarHBondContact O-N 2.92Å; L162-E165 PolarHBondContact O-N 3.12Å |
| 163 | N | 86.5 | Confident | 81.9 | Confident | 35 Ų | 35 | 61 Ų | 61 | 19% | 0.187 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.4 | -24.3 | 174.7 | -78.6 | -34.1 | 0 | 0 | 0 | 112.9 | E152 K156 P160 A161 E165 I166 R167 | E152-N163 WeakPolarHBondContact CA-OD1 3.5Å; E152-N163 WeakPolarHBondContact CB-OD1 3.5Å; E152-N163 PolarHBondContact O-ND2 3.21Å; E152-N163 PolarHBondContact O-OD1 3.19Å; K156-N163 PolarHBondContact N-ND2 3.27Å; P160-N163 WeakPolarHBondContact O-CB 3.44Å; P160-N163 PolarHBondContact O-N 2.88Å; A161-N163 PolarHBondContact O-N 3.48Å; N163-E165 VanDerWaalsContact C-N 3.33Å; N163-E165 PolarHBondContact O-N 3.1Å; N163-I166 PolarHBondContact O-N 3.23Å; N163-R167 WeakPolarHBondContact O-CB 3.38Å; N163-R167 PolarHBondContact O-N 3.09Å |
| 164 | E | 78.1 | Confident | 79.8 | Confident | 92 Ų | 92 | 58.5 Ų | 58.5 | 43% | 0.43 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.1 | -35.9 | 177.7 | -176.1 | 61.9 | -175.4 | 0 | 0 | 112.1 | A161 L162 R167 L168 | A161-E164 PolarHBondContact O-N 2.86Å; L162-E164 PolarHBondContact O-N 2.92Å; E164-R167 VanDerWaalsContact CD-NE 3.34Å; E164-R167 WeakPolarHBondContact O-CB 3.22Å; E164-R167 PolarHBondContact O-N 2.75Å; E164-R167 IonicContact OE1-CZ 2.76Å; E164-R167 VanDerWaalsContact OE1-CZ 3.23Å; E164-R167 IonicContact OE1-NE 2.86Å; E164-R167 PolarHBondContact OE1-NE 3.44Å; E164-R167 IonicContact OE1-NH2 3.51Å; E164-R167 PolarHBondContact OE1-NH2 2.75Å; E164-R167 WeakPolarHBondContact OE2-CD 3.26Å; E164-R167 IonicContact OE2-CZ 3.58Å; E164-R167 IonicContact OE2-NE 3.55Å; E164-R167 PolarHBondContact OE2-NE 2.91Å; E164-R167 IonicContact OE2-NH2 2.83Å; E164-L168 WeakPolarHBondContact O-CG 3.3Å; E164-L168 PolarHBondContact O-N 3.41Å |
| 165 | E | 76.9 | Confident | 77.7 | Confident | 37 Ų | 37 | 61.7 Ų | 61.7 | 17% | 0.173 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.4 | -41.7 | 176.2 | -73.9 | -72 | 173.7 | 0 | 0 | 111.7 | L96 R99 L100 L162 N163 R167 L168 Y169 | L96-E165 HydrophobicContact CD1-CB 4.18Å; R99-E165 IonicContact NH1-OE2 3.67Å; L100-E165 HydrophobicContact CD2-CB 3.92Å; L162-E165 PolarHBondContact O-N 3.12Å; N163-E165 VanDerWaalsContact C-N 3.33Å; N163-E165 PolarHBondContact O-N 3.1Å; E165-R167 VanDerWaalsContact C-N 3.31Å; E165-R167 PolarHBondContact O-N 3.39Å; E165-L168 PolarHBondContact O-N 3.4Å; E165-Y169 PolarHBondContact O-N 2.87Å |
| 166 | I | 85.1 | Confident | 75.4 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 174.1 | -60.9 | 174 | 0 | 0 | 0 | 110.2 | L96 L100 L148 L151 E152 F155 N163 L168 Y169 R170 | L96-I166 HydrophobicContact CD2-CG1 4.49Å; L100-I166 HydrophobicContact CD1-CD1 4.27Å; L100-I166 HydrophobicContact CD1-CG1 3.98Å; L100-I166 HydrophobicContact CD2-CG1 4.49Å; L148-I166 HydrophobicContact CB-CG2 3.91Å; L148-I166 HydrophobicContact CD1-CG2 3.74Å; L148-I166 HydrophobicContact CG-CG2 4.47Å; L151-I166 HydrophobicContact CD2-CD1 4.09Å; L151-I166 HydrophobicContact CG-CD1 4.15Å; E152-I166 HydrophobicContact CG-CB 4.2Å; E152-I166 HydrophobicContact CG-CD1 3.65Å; E152-I166 HydrophobicContact CG-CG2 3.78Å; E152-I166 WeakPolarHBondContact OE1-CG2 3.45Å; F155-I166 HydrophobicContact CD2-CD1 3.88Å; F155-I166 HydrophobicContact CE2-CD1 4.02Å; N163-I166 PolarHBondContact O-N 3.23Å; I166-L168 VanDerWaalsContact C-N 3.33Å; I166-L168 PolarHBondContact O-N 3.01Å; I166-Y169 WeakPolarHBondContact O-CB 3.44Å; I166-Y169 PolarHBondContact O-N 2.92Å; I166-R170 PolarHBondContact O-N 3.03Å; I166-R170 VanDerWaalsContact O-N 3.1Å |
| 167 | R | 81.1 | Confident | 73 | Confident | 84 Ų | 84 | 63.5 Ų | 63.5 | 32% | 0.317 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.5 | -36.5 | 175.9 | -160.7 | -161.3 | 60.9 | 56.9 | -12.7 | 112.6 | N163 E164 E165 K171 | N163-R167 WeakPolarHBondContact O-CB 3.38Å; N163-R167 PolarHBondContact O-N 3.09Å; E164-R167 VanDerWaalsContact CD-NE 3.34Å; E164-R167 WeakPolarHBondContact O-CB 3.22Å; E164-R167 PolarHBondContact O-N 2.75Å; E164-R167 IonicContact OE1-CZ 2.76Å; E164-R167 VanDerWaalsContact OE1-CZ 3.23Å; E164-R167 IonicContact OE1-NE 2.86Å; E164-R167 PolarHBondContact OE1-NE 3.44Å; E164-R167 IonicContact OE1-NH2 3.51Å; E164-R167 PolarHBondContact OE1-NH2 2.75Å; E164-R167 WeakPolarHBondContact OE2-CD 3.26Å; E164-R167 IonicContact OE2-CZ 3.58Å; E164-R167 IonicContact OE2-NE 3.55Å; E164-R167 PolarHBondContact OE2-NE 2.91Å; E164-R167 IonicContact OE2-NH2 2.83Å; E165-R167 VanDerWaalsContact C-N 3.31Å; E165-R167 PolarHBondContact O-N 3.39Å; R167-K171 VanDerWaalsContact NH1-CD 3.29Å |
| 168 | L | 75.3 | Confident | 71 | Confident | 30 Ų | 30 | 61.4 Ų | 61.4 | 16% | 0.157 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -72.3 | -38.3 | 177 | -71.5 | 174.8 | 0 | 0 | 0 | 111.9 | E164 E165 I166 K171 R173 L174 M177 | E164-L168 WeakPolarHBondContact O-CG 3.3Å; E164-L168 PolarHBondContact O-N 3.41Å; E165-L168 PolarHBondContact O-N 3.4Å; I166-L168 VanDerWaalsContact C-N 3.33Å; I166-L168 PolarHBondContact O-N 3.01Å; L168-K171 PolarHBondContact O-N 2.63Å; L168-R173 PolarHBondContact O-N 3.46Å; L168-L174 HydrophobicContact CB-CD1 4.03Å; L168-M177 HydrophobicContact CD1-SD 4.34Å |
| 169 | Y | 82.5 | Confident | 68.9 | Low | 29 Ų | 29 | 62.7 Ų | 62.7 | 11% | 0.114 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.5 | -50.6 | 174.6 | 168.9 | -107.2 | 0 | 0 | 0 | 112 | P92 L96 E145 L148 E165 I166 K171 G172 L174 | P92-Y169 HydrophobicContact CB-CE2 4.05Å; L96-Y169 HydrophobicContact CB-CD2 4.36Å; L96-Y169 HydrophobicContact CD2-CD1 3.64Å; L96-Y169 HydrophobicContact CD2-CD2 4.15Å; L96-Y169 HydrophobicContact CD2-CE1 4.24Å; L96-Y169 HydrophobicContact CD2-CG 3.59Å; L96-Y169 HydrophobicContact CG-CG 4.47Å; E145-Y169 WeakPolarHBondContact CG-OH 3.25Å; E145-Y169 PolarHBondContact O-OH 2.86Å; L148-Y169 HydrophobicContact CD1-CD1 3.87Å; L148-Y169 HydrophobicContact CD1-CE1 3.94Å; E165-Y169 PolarHBondContact O-N 2.87Å; I166-Y169 WeakPolarHBondContact O-CB 3.44Å; I166-Y169 PolarHBondContact O-N 2.92Å; Y169-K171 PolarHBondContact O-N 2.96Å; Y169-K171 VanDerWaalsContact O-N 3.08Å; Y169-G172 PolarHBondContact O-N 2.94Å; Y169-L174 HydrophobicContact CD2-CD2 3.82Å; Y169-L174 HydrophobicContact CG-CD2 4.4Å |
| 170 | R | 81.1 | Confident | 66.6 | Low | 112 Ų | 112 | 65.5 Ų | 65.5 | 42% | 0.423 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.8 | -24.2 | 177.6 | -72.4 | -174.8 | -179.8 | 143.5 | -5.7 | 113.7 | E149 E152 I166 | E149-R170 VanDerWaalsContact CD-NH2 3.33Å; E149-R170 IonicContact OE1-CZ 2.71Å; E149-R170 IonicContact OE1-NH2 3.04Å; E149-R170 PolarHBondContact OE1-NH2 3.16Å; E152-R170 IonicContact OE1-CZ 3.92Å; E152-R170 IonicContact OE1-NH1 2.68Å; E152-R170 PolarHBondContact OE1-NH1 3.01Å; E152-R170 IonicContact OE1-NH2 3.96Å; E152-R170 IonicContact OE2-CZ 3.58Å; E152-R170 IonicContact OE2-NH1 2.99Å; E152-R170 PolarHBondContact OE2-NH1 3.14Å; E152-R170 IonicContact OE2-NH2 3.25Å; E152-R170 PolarHBondContact OE2-NH2 3.17Å; I166-R170 PolarHBondContact O-N 3.03Å; I166-R170 VanDerWaalsContact O-N 3.1Å |
| 171 | K | 76 | Confident | 64.6 | Low | 125 Ų | 125 | 66.7 Ų | 66.7 | 54% | 0.543 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 1.7 | 177.1 | -70.8 | -170.8 | -177.6 | 171.4 | 0 | 114 | R167 L168 Y169 R173 | R167-K171 VanDerWaalsContact NH1-CD 3.29Å; L168-K171 PolarHBondContact O-N 2.63Å; Y169-K171 PolarHBondContact O-N 2.96Å; Y169-K171 VanDerWaalsContact O-N 3.08Å; K171-R173 HydrophobicContact CB-CG 4.27Å; K171-R173 PolarHBondContact O-N 2.59Å |
| 172 | G | 65.4 | Low | 63.1 | Low | 58 Ų | 58 | 64.2 Ų | 64.2 | 60% | 0.598 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.6 | 7.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y169 L174 | Y169-G172 PolarHBondContact O-N 2.94Å; G172-L174 VanDerWaalsContact C-N 3.29Å; G172-L174 PolarHBondContact O-N 2.97Å |
| 173 | R | 56.3 | Low | 61 | Low | 162 Ų | 162 | 64.3 Ų | 64.3 | 61% | 0.611 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -3.4 | -175.2 | -65.9 | -172.5 | 177.8 | -166.8 | -4 | 114 | L168 K171 L175 | L168-R173 PolarHBondContact O-N 3.46Å; K171-R173 HydrophobicContact CB-CG 4.27Å; K171-R173 PolarHBondContact O-N 2.59Å; R173-L175 PolarHBondContact O-N 2.86Å |
| 174 | L | 51.3 | Low | 58.7 | Low | 6 Ų | 6 | 68.1 Ų | 68.1 | 3% | 0.031 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70.2 | -32.1 | -174.1 | -138.7 | 77.1 | 0 | 0 | 0 | 113.2 | L96 R99 L168 Y169 G172 H178 | L96-L174 HydrophobicContact CB-CD2 4.07Å; L96-L174 HydrophobicContact CD1-CD2 4.32Å; R99-L174 VanDerWaalsContact NH1-CG 3.3Å; L168-L174 HydrophobicContact CB-CD1 4.03Å; Y169-L174 HydrophobicContact CD2-CD2 3.82Å; Y169-L174 HydrophobicContact CG-CD2 4.4Å; G172-L174 VanDerWaalsContact C-N 3.29Å; G172-L174 PolarHBondContact O-N 2.97Å; L174-H178 PolarHBondContact O-N 2.73Å |
| 175 | L | 48.8 | Very low | 56.7 | Low | 77 Ų | 77 | 66.8 Ų | 66.8 | 40% | 0.403 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -73.5 | -32.8 | 179.8 | -71.8 | 169.9 | 0 | 0 | 0 | 112.9 | T88 P92 R173 H178 S179 | T88-L175 HydrophobicContact CG2-CD2 3.9Å; P92-L175 HydrophobicContact CG-CD2 4.29Å; R173-L175 PolarHBondContact O-N 2.86Å; L175-H178 PolarHBondContact O-N 2.89Å; L175-S179 PolarHBondContact O-N 3.01Å; L175-S179 PolarHBondContact O-OG 3.16Å |
| 176 | W | 46.4 | Very low | 54.9 | Low | 139 Ų | 139 | 67.8 Ų | 67.8 | 53% | 0.527 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65 | -43.1 | 176.4 | -176.2 | 81.4 | 0 | 0 | 0 | 111.5 | H178 S179 L180 | W176-H178 PolarHBondContact O-N 2.99Å; W176-S179 PolarHBondContact O-N 2.85Å; W176-L180 HydrophobicContact CD2-CD1 3.98Å; W176-L180 HydrophobicContact CE3-CD1 4.44Å; W176-L180 HydrophobicContact CG-CD1 4.48Å; W176-L180 HydrophobicContact CH2-CD1 4.2Å; W176-L180 HydrophobicContact CH2-CD2 4.38Å; W176-L180 HydrophobicContact CZ2-CD1 3.71Å; W176-L180 PolarHBondContact O-N 3.31Å; W176-L180 VanDerWaalsContact O-N 3.13Å |
| 177 | M | 41.7 | Very low | 52.6 | Low | 55 Ų | 55 | 68.8 Ų | 68.8 | 27% | 0.271 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66 | -35.7 | 177.5 | -67.4 | 178.2 | 65.7 | 0 | 0 | 113.1 | L168 R181 | L168-M177 HydrophobicContact CD1-SD 4.34Å; M177-R181 PolarHBondContact O-N 2.97Å; M177-R181 VanDerWaalsContact O-N 3.09Å |
| 178 | H | 44.6 | Very low | 50.7 | Low | 45 Ų | 45 | 71.9 Ų | 71.9 | 21% | 0.208 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68 | -39.7 | 177.1 | -169.5 | -71.5 | 0 | 0 | 0 | 111.8 | L174 L175 W176 T182 | L174-H178 PolarHBondContact O-N 2.73Å; L175-H178 PolarHBondContact O-N 2.89Å; W176-H178 PolarHBondContact O-N 2.99Å; H178-T182 WeakPolarHBondContact O-CB 3.45Å; H178-T182 PolarHBondContact O-N 2.81Å; H178-T182 PolarHBondContact O-OG1 3.4Å |
| 179 | S | 43.7 | Very low | 48.8 | Very low | 43 Ų | 43 | 76 Ų | 76 | 30% | 0.301 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67 | -40.6 | 177.9 | -55.5 | 0 | 0 | 0 | 0 | 111.7 | L175 W176 A183 | L175-S179 PolarHBondContact O-N 3.01Å; L175-S179 PolarHBondContact O-OG 3.16Å; W176-S179 PolarHBondContact O-N 2.85Å; S179-A183 PolarHBondContact O-N 2.8Å |
| 180 | L | 38.9 | Very low | 46.8 | Very low | 70 Ų | 70 | 78.6 Ų | 78.6 | 37% | 0.366 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.1 | -43.4 | 174.9 | -106 | 94.5 | 0 | 0 | 0 | 112.9 | W176 A183 Q184 | W176-L180 HydrophobicContact CD2-CD1 3.98Å; W176-L180 HydrophobicContact CE3-CD1 4.44Å; W176-L180 HydrophobicContact CG-CD1 4.48Å; W176-L180 HydrophobicContact CH2-CD1 4.2Å; W176-L180 HydrophobicContact CH2-CD2 4.38Å; W176-L180 HydrophobicContact CZ2-CD1 3.71Å; W176-L180 PolarHBondContact O-N 3.31Å; W176-L180 VanDerWaalsContact O-N 3.13Å; L180-A183 PolarHBondContact O-N 2.96Å; L180-Q184 VanDerWaalsContact O-CG 3.32Å; L180-Q184 WeakPolarHBondContact O-CG 3.39Å; L180-Q184 PolarHBondContact O-N 3.26Å; L180-Q184 VanDerWaalsContact O-N 3.11Å |
| 181 | R | 41.4 | Very low | 44.6 | Very low | 107 Ų | 107 | 74.9 Ų | 74.9 | 40% | 0.404 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.6 | -39.5 | 178 | -80.1 | -176.4 | -170 | -152.9 | -3.8 | 112.7 | M177 A183 Q184 T185 Q442 | M177-R181 PolarHBondContact O-N 2.97Å; M177-R181 VanDerWaalsContact O-N 3.09Å; R181-A183 VanDerWaalsContact C-N 3.28Å; R181-A183 PolarHBondContact O-N 3.08Å; R181-Q184 PolarHBondContact O-N 3.49Å; R181-T185 WeakPolarHBondContact O-CG2 3.12Å; R181-T185 PolarHBondContact O-N 3.36Å; R181-T185 VanDerWaalsContact O-N 3.14Å; R181-T185 PolarHBondContact O-OG1 3.14Å; R181-Q442 VanDerWaalsContact CZ-OE1 3.27Å |
| 182 | T | 40 | Very low | 42.8 | Very low | 34 Ų | 34 | 73.3 Ų | 73.3 | 21% | 0.209 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.2 | -35.4 | 176.8 | -49.7 | 0 | 0 | 0 | 0 | 111.2 | L66 H178 T185 V186 | L66-T182 HydrophobicContact CD1-CG2 4.12Å; L66-T182 HydrophobicContact CD2-CG2 4.18Å; H178-T182 WeakPolarHBondContact O-CB 3.45Å; H178-T182 PolarHBondContact O-N 2.81Å; H178-T182 PolarHBondContact O-OG1 3.4Å; T182-T185 PolarHBondContact O-OG1 2.85Å; T182-V186 VanDerWaalsContact O-CG2 3.3Å; T182-V186 WeakPolarHBondContact O-CG2 3.35Å; T182-V186 PolarHBondContact O-N 3.23Å |
| 183 | A | 38.9 | Very low | 41.2 | Very low | 10 Ų | 10 | 77.5 Ų | 77.5 | 8% | 0.083 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -69.2 | -33.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | S179 L180 R181 L187 I256 | S179-A183 PolarHBondContact O-N 2.8Å; L180-A183 PolarHBondContact O-N 2.96Å; R181-A183 VanDerWaalsContact C-N 3.28Å; R181-A183 PolarHBondContact O-N 3.08Å; A183-L187 WeakPolarHBondContact O-CB 3.28Å; A183-L187 WeakPolarHBondContact O-CG 3.42Å; A183-L187 PolarHBondContact O-N 2.92Å; A183-I256 HydrophobicContact CB-CG2 3.7Å |
| 184 | Q | 39 | Very low | 40.2 | Very low | 115 Ų | 115 | 73.4 Ų | 73.4 | 54% | 0.537 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -73.8 | -27.5 | 179.1 | -73 | 168.9 | -15.5 | 0 | 0 | 113.4 | L180 R181 | L180-Q184 VanDerWaalsContact O-CG 3.32Å; L180-Q184 WeakPolarHBondContact O-CG 3.39Å; L180-Q184 PolarHBondContact O-N 3.26Å; L180-Q184 VanDerWaalsContact O-N 3.11Å; R181-Q184 PolarHBondContact O-N 3.49Å |
| 185 | T | 35.4 | Very low | 39.4 | Very low | 65 Ų | 65 | 74.2 Ų | 74.2 | 40% | 0.399 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -87.3 | -20.5 | 179.4 | 55.2 | 0 | 0 | 0 | 0 | 113.7 | R181 T182 | R181-T185 WeakPolarHBondContact O-CG2 3.12Å; R181-T185 PolarHBondContact O-N 3.36Å; R181-T185 VanDerWaalsContact O-N 3.14Å; R181-T185 PolarHBondContact O-OG1 3.14Å; T182-T185 PolarHBondContact O-OG1 2.85Å |
| 186 | V | 40 | Very low | 38.7 | Very low | 58 Ų | 58 | 73.2 Ų | 73.2 | 35% | 0.352 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -101.1 | -19.8 | -174.9 | -177.8 | 0 | 0 | 0 | 0 | 113.4 | T182 I260 | T182-V186 VanDerWaalsContact O-CG2 3.3Å; T182-V186 WeakPolarHBondContact O-CG2 3.35Å; T182-V186 PolarHBondContact O-N 3.23Å; V186-I260 HydrophobicContact CB-CD1 4.42Å; V186-I260 HydrophobicContact CG1-CD1 4.43Å; V186-I260 HydrophobicContact CG1-CG1 4.3Å; V186-I260 HydrophobicContact CG1-CG2 3.63Å |
| 187 | L | 37.7 | Very low | 37.8 | Very low | 20 Ų | 20 | 72.7 Ų | 72.7 | 11% | 0.105 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -105.8 | 141.2 | -173.6 | -64.4 | 172.4 | 0 | 0 | 0 | 112.9 | A183 V195 Y259 I260 I263 | A183-L187 WeakPolarHBondContact O-CB 3.28Å; A183-L187 WeakPolarHBondContact O-CG 3.42Å; A183-L187 PolarHBondContact O-N 2.92Å; L187-V195 HydrophobicContact CD1-CG2 3.69Å; L187-Y259 HydrophobicContact CD2-CD1 3.97Å; L187-Y259 HydrophobicContact CD2-CE1 4.16Å; L187-I260 HydrophobicContact CD1-CG1 4.43Å; L187-I260 HydrophobicContact CD2-CG1 3.87Å; L187-I260 HydrophobicContact CG-CG1 4.17Å; L187-I263 HydrophobicContact CD2-CD1 3.78Å |
| 188 | K | 40 | Very low | 37.4 | Very low | 150 Ų | 150 | 78 Ų | 78 | 65% | 0.652 | 41% | 0.406 | S | S | * | . | trans | -70.5 | 154.8 | 173.1 | -67.7 | 178 | -178.6 | 175.8 | 0 | 110.9 | S190 D191 M192 | K188-S190 PolarHBondContact O-N 3.25Å; K188-S190 VanDerWaalsContact O-N 3.11Å; K188-D191 WeakPolarHBondContact O-CB 2.98Å; K188-D191 PolarHBondContact O-N 3.49Å; K188-M192 PolarHBondContact O-N 3.01Å; K188-M192 VanDerWaalsContact O-N 3.17Å | ||
| 189 | P | 36.7 | Very low | 36.8 | Very low | 116 Ų | 116 | 79.7 Ų | 79.7 | 75% | 0.753 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -55.1 | -33.8 | -179.6 | -26.7 | 34 | 0 | 0 | 0 | 114.4 | D191 M192 | P189-D191 VanDerWaalsContact C-N 3.34Å; P189-M192 WeakPolarHBondContact O-CB 2.93Å; P189-M192 PolarHBondContact O-N 3.33Å |
| 190 | S | 38.5 | Very low | 36 | Very low | 83 Ų | 83 | 85.6 Ų | 85.6 | 58% | 0.58 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -66.1 | -33.4 | 176.8 | 48.8 | 0 | 0 | 0 | 0 | 113.4 | K188 | K188-S190 PolarHBondContact O-N 3.25Å; K188-S190 VanDerWaalsContact O-N 3.11Å |
| 191 | D | 36.3 | Very low | 35.7 | Very low | 35 Ų | 35 | 88.4 Ų | 88.4 | 19% | 0.187 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -83.7 | -24.2 | -179.2 | -70.4 | -54.4 | 0 | 0 | 0 | 112.2 | K188 P189 M193 N194 V195 Y259 | K188-D191 WeakPolarHBondContact O-CB 2.98Å; K188-D191 PolarHBondContact O-N 3.49Å; P189-D191 VanDerWaalsContact C-N 3.34Å; D191-M193 PolarHBondContact O-N 3.49Å; D191-N194 PolarHBondContact O-N 3.08Å; D191-V195 PolarHBondContact O-N 3.21Å; D191-Y259 HydrophobicContact CB-CE1 4.04Å; D191-Y259 PolarHBondContact OD1-OH 3.25Å |
| 192 | M | 36.9 | Very low | 34.9 | Very low | 92 Ų | 92 | 91.8 Ų | 91.8 | 45% | 0.453 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.2 | -29.1 | 175.9 | -148.2 | 178.1 | 80.4 | 0 | 0 | 112.3 | K188 P189 N194 V195 T196 | K188-M192 PolarHBondContact O-N 3.01Å; K188-M192 VanDerWaalsContact O-N 3.17Å; P189-M192 WeakPolarHBondContact O-CB 2.93Å; P189-M192 PolarHBondContact O-N 3.33Å; M192-N194 VanDerWaalsContact C-N 3.33Å; M192-N194 PolarHBondContact O-N 3.29Å; M192-V195 PolarHBondContact O-N 3.02Å; M192-T196 WeakPolarHBondContact O-CB 3.23Å; M192-T196 PolarHBondContact O-N 3.02Å; M192-T196 PolarHBondContact O-OG1 3.09Å |
| 193 | M | 33.3 | Very low | 34.3 | Very low | 146 Ų | 146 | 94.9 Ų | 94.9 | 72% | 0.719 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.2 | -36.3 | 177.8 | -134.3 | 159.8 | -170.7 | 0 | 0 | 111.9 | D191 L197 | D191-M193 PolarHBondContact O-N 3.49Å; M193-L197 WeakPolarHBondContact O-CB 3.4Å; M193-L197 PolarHBondContact O-N 3.15Å |
| 194 | N | 35.2 | Very low | 33.8 | Very low | 75 Ų | 75 | 100.6 Ų | 100.6 | 40% | 0.401 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -71.7 | -43.4 | 175.8 | -71.5 | -23.1 | 0 | 0 | 0 | 111.2 | D191 M192 T196 L197 Y198 | D191-N194 PolarHBondContact O-N 3.08Å; M192-N194 VanDerWaalsContact C-N 3.33Å; M192-N194 PolarHBondContact O-N 3.29Å; N194-T196 VanDerWaalsContact C-N 3.32Å; N194-T196 PolarHBondContact O-N 3.39Å; N194-L197 WeakPolarHBondContact O-CB 3.19Å; N194-L197 PolarHBondContact O-N 3.44Å; N194-Y198 WeakPolarHBondContact O-CD2 3.38Å; N194-Y198 PolarHBondContact O-N 3.41Å; N194-Y198 VanDerWaalsContact O-N 3.08Å |
| 195 | V | 34.9 | Very low | 33.1 | Very low | 23 Ų | 23 | 107.4 Ų | 107.4 | 14% | 0.139 | 55% | 0.545 | C | S | . | . | H | α-helix | trans | -59.9 | -43.5 | 174.8 | 176.7 | 0 | 0 | 0 | 0 | 111.4 | L187 D191 M192 L197 Y198 T199 I256 | L187-V195 HydrophobicContact CD1-CG2 3.69Å; D191-V195 PolarHBondContact O-N 3.21Å; M192-V195 PolarHBondContact O-N 3.02Å; V195-L197 PolarHBondContact O-N 3.08Å; V195-Y198 PolarHBondContact O-N 3.24Å; V195-T199 WeakPolarHBondContact O-CG2 3.34Å; V195-T199 PolarHBondContact O-N 2.73Å; V195-T199 VanDerWaalsContact O-N 3.11Å; V195-T199 PolarHBondContact O-OG1 3.49Å; V195-I256 HydrophobicContact CG1-CD1 3.97Å; V195-I256 HydrophobicContact CG1-CG1 3.93Å |
| 196 | T | 32.7 | Very low | 32.8 | Very low | 56 Ų | 56 | 109.3 Ų | 109.3 | 34% | 0.344 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62 | -43 | 176.5 | -51.1 | 0 | 0 | 0 | 0 | 110.9 | M192 N194 Y198 T199 F200 | M192-T196 WeakPolarHBondContact O-CB 3.23Å; M192-T196 PolarHBondContact O-N 3.02Å; M192-T196 PolarHBondContact O-OG1 3.09Å; N194-T196 VanDerWaalsContact C-N 3.32Å; N194-T196 PolarHBondContact O-N 3.39Å; T196-Y198 VanDerWaalsContact C-N 3.33Å; T196-Y198 PolarHBondContact O-N 3.32Å; T196-T199 WeakPolarHBondContact CA-OG1 3.42Å; T196-T199 PolarHBondContact O-N 3.06Å; T196-T199 VanDerWaalsContact O-N 3.15Å; T196-T199 PolarHBondContact O-OG1 3.23Å; T196-F200 HydrophobicContact CG2-CD2 3.83Å; T196-F200 HydrophobicContact CG2-CE2 3.79Å; T196-F200 WeakPolarHBondContact O-CD2 3.42Å; T196-F200 PolarHBondContact O-N 3.21Å |
| 197 | L | 29.1 | Very low | 32.2 | Very low | 129 Ų | 129 | 117.8 Ų | 117.8 | 68% | 0.675 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -61.9 | -37.7 | 177.5 | -139.1 | 79.4 | 0 | 0 | 0 | 112.8 | M193 N194 V195 | M193-L197 WeakPolarHBondContact O-CB 3.4Å; M193-L197 PolarHBondContact O-N 3.15Å; N194-L197 WeakPolarHBondContact O-CB 3.19Å; N194-L197 PolarHBondContact O-N 3.44Å; V195-L197 PolarHBondContact O-N 3.08Å |
| 198 | Y | 32.3 | Very low | 31.6 | Very low | 166 Ų | 166 | 124 Ų | 124 | 65% | 0.651 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -72.4 | -27.1 | 176.1 | -74.5 | -69.1 | 0 | 0 | 0 | 113.1 | N194 V195 T196 | N194-Y198 WeakPolarHBondContact O-CD2 3.38Å; N194-Y198 PolarHBondContact O-N 3.41Å; N194-Y198 VanDerWaalsContact O-N 3.08Å; V195-Y198 PolarHBondContact O-N 3.24Å; T196-Y198 VanDerWaalsContact C-N 3.33Å; T196-Y198 PolarHBondContact O-N 3.32Å |
| 199 | T | 32.2 | Very low | 30.8 | Very low | 81 Ų | 81 | 125.4 Ų | 125.4 | 50% | 0.497 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -80.6 | -18 | 177.6 | 54.4 | 0 | 0 | 0 | 0 | 114.8 | V195 T196 | V195-T199 WeakPolarHBondContact O-CG2 3.34Å; V195-T199 PolarHBondContact O-N 2.73Å; V195-T199 VanDerWaalsContact O-N 3.11Å; V195-T199 PolarHBondContact O-OG1 3.49Å; T196-T199 WeakPolarHBondContact CA-OG1 3.42Å; T196-T199 PolarHBondContact O-N 3.06Å; T196-T199 VanDerWaalsContact O-N 3.15Å; T196-T199 PolarHBondContact O-OG1 3.23Å |
| 200 | F | 27.3 | Very low | 30.2 | Very low | 166 Ų | 166 | 124.4 Ų | 124.4 | 73% | 0.728 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | 0.8 | -177.2 | -95.5 | -82 | 0 | 0 | 0 | 115 | T196 E202 | T196-F200 HydrophobicContact CG2-CD2 3.83Å; T196-F200 HydrophobicContact CG2-CE2 3.79Å; T196-F200 WeakPolarHBondContact O-CD2 3.42Å; T196-F200 PolarHBondContact O-N 3.21Å; F200-E202 PolarHBondContact O-N 3.06Å; F200-E202 VanDerWaalsContact O-N 3.09Å |
| 201 | I | 30.8 | Very low | 29.6 | Very low | 130 Ų | 130 | 127.3 Ų | 127.3 | 67% | 0.667 | 64% | 0.64 | S | S | * | * | trans | -82.4 | 84.8 | 170.7 | -54.2 | -179.7 | 0 | 0 | 0 | 108.3 | P203 | I201-P203 WeakPolarHBondContact O-CD 3.46Š| ||
| 202 | E | 25.9 | Very low | 29 | Very low | 177 Ų | 177 | 129.5 Ų | 129.5 | 83% | 0.827 | 67% | 0.67 | S | S | * | * | trans | -64.9 | 124.4 | 162.6 | -81 | -158.2 | 159.7 | 0 | 0 | 109.6 | F200 N204 | F200-E202 PolarHBondContact O-N 3.06Å; F200-E202 VanDerWaalsContact O-N 3.09Å; E202-N204 PolarHBondContact O-N 3.32Å | ||
| 203 | P | 26.9 | Very low | 28.3 | Very low | 99 Ų | 99 | 133.6 Ų | 133.6 | 64% | 0.643 | 69% | 0.69 | S | S | * | * | trans | -80.8 | 107.9 | 171.2 | 10.6 | 4.4 | 0 | 0 | 0 | 110.1 | I201 | I201-P203 WeakPolarHBondContact O-CD 3.46Š| ||
| 204 | N | 27.7 | Very low | 28 | Very low | 130 Ų | 130 | 132 Ų | 132 | 70% | 0.695 | 69% | 0.689 | S | S | * | * | trans | 64.7 | 102.7 | 154.9 | -67 | -35.7 | 0 | 0 | 0 | 119.2 | E202 | E202-N204 PolarHBondContact O-N 3.32Š| ||
| 205 | R | 26 | Very low | 27.5 | Very low | 259 Ų | 259 | 133.5 Ų | 133.5 | 98% | 0.977 | 71% | 0.705 | S | S | * | * | trans | -98.7 | 63.1 | 139.3 | -146.7 | -176.4 | -147.6 | -154 | 8 | 110.1 | ||||
| 206 | T | 28.8 | Very low | 27.1 | Very low | 105 Ų | 105 | 141.8 Ų | 141.8 | 64% | 0.644 | 74% | 0.742 | S | S | * | * | trans | -85.3 | 107.2 | 164.7 | 42.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 207 | R | 26.1 | Very low | 26.6 | Very low | 235 Ų | 235 | 142.5 Ų | 142.5 | 89% | 0.887 | 76% | 0.761 | S | S | * | * | trans | -161 | 99.5 | 142.8 | -110.3 | 175.6 | -172 | 177.9 | 3.1 | 110.6 | ||||
| 208 | N | 26 | Very low | 26.6 | Very low | 151 Ų | 151 | 142.6 Ų | 142.6 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | trans | 33.4 | 108.4 | 137.8 | -55.9 | -12.9 | 0 | 0 | 0 | 118.1 | ||||
| 209 | L | 23.2 | Very low | 26.3 | Very low | 179 Ų | 179 | 144.2 Ų | 144.2 | 94% | 0.937 | 78% | 0.783 | S | S | * | * | -144.9 | 142 | 125.3 | -131.7 | 77.9 | 0 | 0 | 0 | 109.5 | |||||
| 210 | S | 23.9 | Very low | 26 | Very low | 96 Ų | 96 | 148.1 Ų | 148.1 | 67% | 0.671 | 80% | 0.8 | S | S | * | * | trans | -79.1 | 158.7 | -161.6 | 46.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 211 | T | 25.9 | Very low | 25.9 | Very low | 144 Ų | 144 | 145.7 Ų | 145.7 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | 70 | 117.4 | 149.7 | 49.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 212 | G | 23.4 | Very low | 26 | Very low | 80 Ų | 80 | 145.4 Ų | 145.4 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | 150.6 | 100.4 | 154.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 213 | M | 23.5 | Very low | 26 | Very low | 178 Ų | 178 | 144 Ų | 144 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | trans | -36.5 | 156 | 163.1 | -66 | -169.4 | 110.9 | 0 | 0 | 114.6 | ||||
| 214 | T | 25.6 | Very low | 26 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 70% | 0.699 | 82% | 0.815 | S | S | * | * | cis | -176.3 | 157.6 | 27.7 | 11.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 215 | S | 25.2 | Very low | 26 | Very low | 105 Ų | 105 | 148.5 Ų | 148.5 | 73% | 0.734 | 82% | 0.823 | S | S | * | * | trans | 56.5 | 145.8 | 151 | 63.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 216 | E | 26.7 | Very low | 26.1 | Very low | 197 Ų | 197 | 144.7 Ų | 144.7 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | cis | -169.4 | 146.6 | -2.6 | -107.8 | -177.2 | 179.6 | 0 | 0 | 105.7 | ||||
| 217 | G | 22.8 | Very low | 26.1 | Very low | 72 Ų | 72 | 148.7 Ų | 148.7 | 74% | 0.742 | 83% | 0.825 | S | S | * | * | trans | 179 | 146.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 218 | P | 27.6 | Very low | 26.2 | Very low | 131 Ų | 131 | 140.7 Ų | 140.7 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 152 | -142.7 | 33 | -36.8 | 0 | 0 | 0 | 116.3 | ||
| 219 | Q | 26.1 | Very low | 26.4 | Very low | 199 Ų | 199 | 137.5 Ų | 137.5 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 136.3 | -179.2 | -67.9 | 175 | -13.1 | 0 | 0 | 113.7 | ||
| 220 | L | 26.3 | Very low | 26.8 | Very low | 164 Ų | 164 | 136.7 Ų | 136.7 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 151.1 | 162 | -88 | 134.3 | 0 | 0 | 0 | 110.2 | ||
| 221 | P | 26.1 | Very low | 27.1 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 155.6 | -172.1 | 30.3 | -33.4 | 0 | 0 | 0 | 113.6 | ||
| 222 | P | 31.3 | Very low | 27.3 | Very low | 124 Ų | 124 | 139.8 Ų | 139.8 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | trans | -105.3 | 103.9 | -169.5 | 35.7 | -23.7 | 0 | 0 | 0 | 112.4 | ||||
| 223 | V | 26 | Very low | 27.6 | Very low | 148 Ų | 148 | 143 Ų | 143 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | trans | -149.1 | 117.2 | 157.4 | -172.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 224 | S | 28.4 | Very low | 27.8 | Very low | 106 Ų | 106 | 143.9 Ų | 143.9 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | 132.3 | 57.1 | 161.8 | -176.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 225 | Y | 26.8 | Very low | 28.1 | Very low | 218 Ų | 218 | 144.2 Ų | 144.2 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | trans | -131.6 | 10.8 | 165.4 | -87.7 | -75.5 | 0 | 0 | 0 | 114.6 | ||||
| 226 | Q | 27.5 | Very low | 28.4 | Very low | 179 Ų | 179 | 144.5 Ų | 144.5 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -92 | -13.2 | -175.9 | -78.2 | 178.7 | -29.3 | 0 | 0 | 115 | ||
| 227 | K | 29.1 | Very low | 28.4 | Very low | 188 Ų | 188 | 143.1 Ų | 143.1 | 82% | 0.817 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -93.5 | -13.2 | -175.6 | -138 | 171.5 | -174.6 | 178.5 | 0 | 115.3 | ||
| 228 | A | 28.4 | Very low | 28.6 | Very low | 67 Ų | 67 | 146.9 Ų | 146.9 | 55% | 0.554 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -89.2 | -21.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 229 | S | 29.5 | Very low | 28.5 | Very low | 85 Ų | 85 | 146.7 Ų | 146.7 | 59% | 0.594 | 80% | 0.795 | S | S | * | * | G | 310 helix | trans | -78.8 | -18.6 | -177.6 | -164.3 | 0 | 0 | 0 | 0 | 113.6 | ||
| 230 | E | 31.7 | Very low | 28.6 | Very low | 161 Ų | 161 | 141.6 Ų | 141.6 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | G | 310 helix | trans | -84 | -13.4 | -178.7 | -71.6 | -178.1 | 159 | 0 | 0 | 113.6 | ||
| 231 | L | 31.8 | Very low | 29 | Very low | 157 Ų | 157 | 143.9 Ų | 143.9 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | G | 310 helix | trans | -90.4 | -5.9 | 179 | -77.6 | 168.5 | 0 | 0 | 0 | 114.2 | ||
| 232 | L | 29.2 | Very low | 29 | Very low | 148 Ų | 148 | 143 Ų | 143 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -94.6 | -7.3 | -179.7 | -83.6 | 158.7 | 0 | 0 | 0 | 114.3 | K234 | L232-K234 PolarHBondContact O-N 3.47Š|
| 233 | D | 30.3 | Very low | 29 | Very low | 149 Ų | 149 | 142.9 Ų | 142.9 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | -100.1 | 70 | 176.5 | -83.4 | -23.4 | 0 | 0 | 0 | 111.9 | ||||
| 234 | K | 28.3 | Very low | 29.3 | Very low | 195 Ų | 195 | 142.1 Ų | 142.1 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | trans | -133.7 | 126.3 | 151 | -76.2 | -169 | -179 | 176.2 | 0 | 110 | L232 | L232-K234 PolarHBondContact O-N 3.47Š| ||
| 235 | P | 30.8 | Very low | 29.5 | Very low | 122 Ų | 122 | 141.1 Ų | 141.1 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | trans | -84.1 | 126.2 | -172.5 | 32.7 | -30.6 | 0 | 0 | 0 | 109.7 | ||||
| 236 | S | 31.8 | Very low | 30 | Very low | 111 Ų | 111 | 135.7 Ų | 135.7 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | 156.1 | 93.9 | 138.9 | -69.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 237 | I | 27.2 | Very low | 30.2 | Very low | 167 Ų | 167 | 135 Ų | 135 | 86% | 0.856 | 76% | 0.756 | S | S | * | * | trans | -171.8 | 112.2 | 136.4 | -85.5 | 142.8 | 0 | 0 | 0 | 105.8 | ||||
| 238 | N | 26.5 | Very low | 30.5 | Very low | 151 Ų | 151 | 130.1 Ų | 130.1 | 81% | 0.807 | 74% | 0.744 | S | S | * | * | trans | -68 | 125.6 | 178 | -106.5 | -30.7 | 0 | 0 | 0 | 110.5 | S240 | N238-S240 PolarHBondContact O-N 3.17Š| ||
| 239 | P | 26 | Very low | 30.8 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 83% | 0.831 | 75% | 0.745 | S | S | * | * | trans | -90.1 | 79.7 | 175.7 | 34.7 | -29.4 | 0 | 0 | 0 | 109.5 | ||||
| 240 | S | 28 | Very low | 31.1 | Very low | 92 Ų | 92 | 133 Ų | 133 | 64% | 0.643 | 74% | 0.739 | S | S | * | * | trans | -147.7 | 122.4 | 159.2 | 63.1 | 0 | 0 | 0 | 0 | 109.8 | N238 | N238-S240 PolarHBondContact O-N 3.17Š| ||
| 241 | K | 34.1 | Very low | 31.3 | Very low | 212 Ų | 212 | 130.4 Ų | 130.4 | 92% | 0.922 | 73% | 0.729 | S | S | * | * | trans | 91.5 | 84.4 | 179 | -53.4 | 178.5 | -179.5 | -179.9 | 0 | 116.2 | ||||
| 242 | S | 27 | Very low | 31.7 | Very low | 95 Ų | 95 | 124.9 Ų | 124.9 | 66% | 0.664 | 70% | 0.704 | S | S | * | * | trans | -157.7 | 121.3 | 145.6 | 172.4 | 0 | 0 | 0 | 0 | 109.2 | N244 | S242-N244 PolarHBondContact O-N 3.42Š| ||
| 243 | P | 31.4 | Very low | 32.4 | Very low | 121 Ų | 121 | 120.4 Ų | 120.4 | 79% | 0.786 | 68% | 0.68 | S | S | * | * | trans | -93 | 86.7 | 173.2 | 33.6 | -23.6 | 0 | 0 | 0 | 108.4 | ||||
| 244 | N | 32.4 | Very low | 32.9 | Very low | 133 Ų | 133 | 119.4 Ų | 119.4 | 71% | 0.711 | 67% | 0.666 | S | S | * | * | trans | -179.2 | 100.6 | 156.2 | -87.8 | -21.7 | 0 | 0 | 0 | 107.7 | S242 I246 | S242-N244 PolarHBondContact O-N 3.42Å; N244-I246 VanDerWaalsContact C-N 3.32Å; N244-I246 PolarHBondContact O-N 3.31Å | ||
| 245 | G | 32 | Very low | 33.4 | Very low | 85 Ų | 85 | 114.3 Ų | 114.3 | 88% | 0.876 | 65% | 0.648 | S | S | * | * | trans | -74.4 | 76.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 246 | I | 36.4 | Very low | 34.2 | Very low | 104 Ų | 104 | 110.1 Ų | 110.1 | 53% | 0.533 | 62% | 0.619 | S | S | . | * | trans | -115.3 | 77.8 | 166.6 | -50.9 | 174 | 0 | 0 | 0 | 107.1 | N244 L250 | N244-I246 VanDerWaalsContact C-N 3.32Å; N244-I246 PolarHBondContact O-N 3.31Å; I246-L250 HydrophobicContact CG2-CD1 3.87Å; I246-L250 HydrophobicContact CG2-CG 4.37Å | ||
| 247 | F | 32.6 | Very low | 34.7 | Very low | 163 Ų | 163 | 109.9 Ų | 109.9 | 72% | 0.715 | 60% | 0.601 | S | S | * | * | trans | -134.1 | -25.7 | -179.2 | -96.4 | -85.9 | 0 | 0 | 0 | 115.7 | ||||
| 248 | P | 34.9 | Very low | 35.5 | Very low | 87 Ų | 87 | 106.1 Ų | 106.1 | 57% | 0.565 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -77.6 | -37.3 | 178 | -15.1 | 30.2 | 0 | 0 | 0 | 113.8 | L251 S252 | P248-L251 PolarHBondContact O-N 3.21Å; P248-S252 PolarHBondContact O-N 3.11Å; P248-S252 PolarHBondContact O-OG 3.19Å |
| 249 | E | 34.6 | Very low | 36.3 | Very low | 122 Ų | 122 | 102.2 Ų | 102.2 | 57% | 0.57 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -78.4 | -30.6 | -173.3 | -69.8 | 167.6 | 165.2 | 0 | 0 | 113.4 | L251 S252 I253 | E249-L251 VanDerWaalsContact C-N 3.35Å; E249-S252 PolarHBondContact O-OG 2.87Å; E249-I253 WeakPolarHBondContact O-CD1 3.04Å; E249-I253 VanDerWaalsContact O-CG1 3.29Å; E249-I253 WeakPolarHBondContact O-CG1 3.48Å; E249-I253 PolarHBondContact O-N 3.44Å |
| 250 | L | 36.8 | Very low | 37 | Very low | 91 Ų | 91 | 98 Ų | 98 | 48% | 0.476 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -73 | -31.6 | 173.9 | -77.5 | 166.8 | 0 | 0 | 0 | 111.5 | I246 Y254 | I246-L250 HydrophobicContact CG2-CD1 3.87Å; I246-L250 HydrophobicContact CG2-CG 4.37Å; L250-Y254 WeakPolarHBondContact O-CB 3.09Å; L250-Y254 PolarHBondContact O-N 2.77Å |
| 251 | L | 36 | Very low | 37.6 | Very low | 105 Ų | 105 | 95.2 Ų | 95.2 | 55% | 0.55 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -71.3 | -37.2 | 178.1 | -165.5 | 68.9 | 0 | 0 | 0 | 111.5 | P248 E249 Y254 L255 | P248-L251 PolarHBondContact O-N 3.21Å; E249-L251 VanDerWaalsContact C-N 3.35Å; L251-Y254 PolarHBondContact O-N 3.22Å; L251-L255 HydrophobicContact CG-CD1 4.33Å; L251-L255 WeakPolarHBondContact O-CB 3.35Å; L251-L255 VanDerWaalsContact O-CG 3.23Å; L251-L255 WeakPolarHBondContact O-CG 3.26Å; L251-L255 PolarHBondContact O-N 3.37Å |
| 252 | S | 39.6 | Very low | 37.7 | Very low | 42 Ų | 42 | 90.2 Ų | 90.2 | 29% | 0.294 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.7 | -39.3 | 175.2 | 55.2 | 0 | 0 | 0 | 0 | 112.5 | P248 E249 Y254 L255 I256 | P248-S252 PolarHBondContact O-N 3.11Å; P248-S252 PolarHBondContact O-OG 3.19Å; E249-S252 PolarHBondContact O-OG 2.87Å; S252-Y254 VanDerWaalsContact C-N 3.35Å; S252-L255 PolarHBondContact O-N 3.4Å; S252-I256 WeakPolarHBondContact O-CD1 3.4Å; S252-I256 VanDerWaalsContact O-CG1 3.25Å; S252-I256 WeakPolarHBondContact O-CG1 2.95Å; S252-I256 PolarHBondContact O-N 2.93Å; S252-I256 VanDerWaalsContact O-N 3.09Å |
| 253 | I | 43.1 | Very low | 38.4 | Very low | 53 Ų | 53 | 89.7 Ų | 89.7 | 27% | 0.272 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 171.9 | -66.6 | 168.1 | 0 | 0 | 0 | 110.9 | E249 I256 Y257 | E249-I253 WeakPolarHBondContact O-CD1 3.04Å; E249-I253 VanDerWaalsContact O-CG1 3.29Å; E249-I253 WeakPolarHBondContact O-CG1 3.48Å; E249-I253 PolarHBondContact O-N 3.44Å; I253-I256 PolarHBondContact O-N 3.42Å; I253-Y257 WeakPolarHBondContact O-CB 3.41Å; I253-Y257 PolarHBondContact O-N 3.35Å |
| 254 | Y | 41 | Very low | 38.6 | Very low | 128 Ų | 128 | 87.7 Ų | 87.7 | 50% | 0.502 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.3 | -45 | 177.3 | -172.4 | -95.2 | 0 | 0 | 0 | 111.7 | L250 L251 S252 Y257 F258 | L250-Y254 WeakPolarHBondContact O-CB 3.09Å; L250-Y254 PolarHBondContact O-N 2.77Å; L251-Y254 PolarHBondContact O-N 3.22Å; S252-Y254 VanDerWaalsContact C-N 3.35Å; Y254-Y257 PolarHBondContact O-N 3.14Å; Y254-F258 AromaticContact CD1-CD2 3.84Å; Y254-F258 HydrophobicContact CD1-CD2 3.84Å; Y254-F258 AromaticContact CD1-CE2 4Å; Y254-F258 HydrophobicContact CD1-CE2 4Å; Y254-F258 HydrophobicContact CD2-CD2 4.32Å; Y254-F258 AromaticContact CD2-CE2 3.98Å; Y254-F258 HydrophobicContact CD2-CE2 3.98Å; Y254-F258 AromaticContact CE1-CD2 3.62Å; Y254-F258 HydrophobicContact CE1-CD2 3.62Å; Y254-F258 AromaticContact CE1-CE2 3.4Å; Y254-F258 HydrophobicContact CE1-CE2 3.4Å; Y254-F258 VanDerWaalsContact CE1-CE2 3.4Å; Y254-F258 HydrophobicContact CE1-CZ 4.16Å; Y254-F258 HydrophobicContact CE2-CD2 4.15Å; Y254-F258 AromaticContact CE2-CE2 3.4Å; Y254-F258 HydrophobicContact CE2-CE2 3.4Å; Y254-F258 VanDerWaalsContact CE2-CE2 3.4Å; Y254-F258 HydrophobicContact CE2-CZ 4.28Å; Y254-F258 HydrophobicContact CG-CD2 4.18Å; Y254-F258 HydrophobicContact CG-CE2 4.25Å; Y254-F258 AromaticContact CZ-CD2 3.79Å; Y254-F258 AromaticContact CZ-CE2 3.07Å; Y254-F258 AromaticContact CZ-CZ 3.71Å; Y254-F258 WeakPolarHBondContact O-CD2 3.48Å; Y254-F258 PolarHBondContact O-N 2.76Å; Y254-F258 VanDerWaalsContact OH-CE2 3.25Å; Y254-F258 WeakPolarHBondContact OH-CE2 3.41Å; Y254-F258 WeakPolarHBondContact OH-CZ 3.37Å |
| 255 | L | 39.4 | Very low | 38.8 | Very low | 89 Ų | 89 | 88.1 Ų | 88.1 | 47% | 0.466 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.6 | -37.9 | 179.6 | -71.2 | 168.2 | 0 | 0 | 0 | 113 | L251 S252 F258 Y259 | L251-L255 HydrophobicContact CG-CD1 4.33Å; L251-L255 WeakPolarHBondContact O-CB 3.35Å; L251-L255 VanDerWaalsContact O-CG 3.23Å; L251-L255 WeakPolarHBondContact O-CG 3.26Å; L251-L255 PolarHBondContact O-N 3.37Å; S252-L255 PolarHBondContact O-N 3.4Å; L255-F258 PolarHBondContact O-N 3.2Å; L255-Y259 WeakPolarHBondContact O-CB 3.15Å; L255-Y259 PolarHBondContact O-N 2.73Å |
| 256 | I | 46.9 | Very low | 39 | Very low | 34 Ų | 34 | 87.4 Ų | 87.4 | 17% | 0.174 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -65.1 | -42.2 | 174.6 | -68.8 | 166.4 | 0 | 0 | 0 | 110.5 | A183 V195 S252 I253 Y259 I260 | A183-I256 HydrophobicContact CB-CG2 3.7Å; V195-I256 HydrophobicContact CG1-CD1 3.97Å; V195-I256 HydrophobicContact CG1-CG1 3.93Å; S252-I256 WeakPolarHBondContact O-CD1 3.4Å; S252-I256 VanDerWaalsContact O-CG1 3.25Å; S252-I256 WeakPolarHBondContact O-CG1 2.95Å; S252-I256 PolarHBondContact O-N 2.93Å; S252-I256 VanDerWaalsContact O-N 3.09Å; I253-I256 PolarHBondContact O-N 3.42Å; I256-Y259 PolarHBondContact O-N 3.05Å; I256-I260 HydrophobicContact CG2-CD1 3.85Å; I256-I260 WeakPolarHBondContact O-CD1 3.3Å; I256-I260 VanDerWaalsContact O-CG1 3.26Å; I256-I260 WeakPolarHBondContact O-CG1 3.44Å; I256-I260 PolarHBondContact O-N 3.11Å; I256-I260 VanDerWaalsContact O-N 3.12Å |
| 257 | Y | 42.8 | Very low | 38.9 | Very low | 106 Ų | 106 | 94 Ų | 94 | 42% | 0.416 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 178.1 | -174.8 | -99.4 | 0 | 0 | 0 | 112.9 | I253 Y254 L261 | I253-Y257 WeakPolarHBondContact O-CB 3.41Å; I253-Y257 PolarHBondContact O-N 3.35Å; Y254-Y257 PolarHBondContact O-N 3.14Å; Y257-L261 HydrophobicContact CD1-CD1 3.85Å; Y257-L261 HydrophobicContact CE1-CD1 3.46Å; Y257-L261 VanDerWaalsContact CE1-CD1 3.46Å; Y257-L261 PolarHBondContact O-N 3.11Å |
| 258 | F | 45 | Very low | 38.9 | Very low | 87 Ų | 87 | 91.2 Ų | 91.2 | 38% | 0.382 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68.2 | -39.9 | 175.9 | -92.5 | -91.4 | 0 | 0 | 0 | 113.1 | Y254 L255 I260 L261 D262 | Y254-F258 AromaticContact CD1-CD2 3.84Å; Y254-F258 HydrophobicContact CD1-CD2 3.84Å; Y254-F258 AromaticContact CD1-CE2 4Å; Y254-F258 HydrophobicContact CD1-CE2 4Å; Y254-F258 HydrophobicContact CD2-CD2 4.32Å; Y254-F258 AromaticContact CD2-CE2 3.98Å; Y254-F258 HydrophobicContact CD2-CE2 3.98Å; Y254-F258 AromaticContact CE1-CD2 3.62Å; Y254-F258 HydrophobicContact CE1-CD2 3.62Å; Y254-F258 AromaticContact CE1-CE2 3.4Å; Y254-F258 HydrophobicContact CE1-CE2 3.4Å; Y254-F258 VanDerWaalsContact CE1-CE2 3.4Å; Y254-F258 HydrophobicContact CE1-CZ 4.16Å; Y254-F258 HydrophobicContact CE2-CD2 4.15Å; Y254-F258 AromaticContact CE2-CE2 3.4Å; Y254-F258 HydrophobicContact CE2-CE2 3.4Å; Y254-F258 VanDerWaalsContact CE2-CE2 3.4Å; Y254-F258 HydrophobicContact CE2-CZ 4.28Å; Y254-F258 HydrophobicContact CG-CD2 4.18Å; Y254-F258 HydrophobicContact CG-CE2 4.25Å; Y254-F258 AromaticContact CZ-CD2 3.79Å; Y254-F258 AromaticContact CZ-CE2 3.07Å; Y254-F258 AromaticContact CZ-CZ 3.71Å; Y254-F258 WeakPolarHBondContact O-CD2 3.48Å; Y254-F258 PolarHBondContact O-N 2.76Å; Y254-F258 VanDerWaalsContact OH-CE2 3.25Å; Y254-F258 WeakPolarHBondContact OH-CE2 3.41Å; Y254-F258 WeakPolarHBondContact OH-CZ 3.37Å; L255-F258 PolarHBondContact O-N 3.2Å; F258-I260 VanDerWaalsContact C-N 3.34Å; F258-I260 PolarHBondContact O-N 2.95Å; F258-L261 PolarHBondContact O-N 3.46Å; F258-D262 PolarHBondContact O-N 2.84Å; F258-D262 VanDerWaalsContact O-N 3.11Å |
| 259 | Y | 41.6 | Very low | 38.7 | Very low | 69 Ų | 69 | 96.5 Ų | 96.5 | 27% | 0.271 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.1 | -37.8 | 178.8 | -168.8 | -101.4 | 0 | 0 | 0 | 112.1 | L187 D191 L255 I256 L261 D262 I263 | L187-Y259 HydrophobicContact CD2-CD1 3.97Å; L187-Y259 HydrophobicContact CD2-CE1 4.16Å; D191-Y259 HydrophobicContact CB-CE1 4.04Å; D191-Y259 PolarHBondContact OD1-OH 3.25Å; L255-Y259 WeakPolarHBondContact O-CB 3.15Å; L255-Y259 PolarHBondContact O-N 2.73Å; I256-Y259 PolarHBondContact O-N 3.05Å; Y259-L261 VanDerWaalsContact C-N 3.32Å; Y259-L261 PolarHBondContact O-N 3.13Å; Y259-D262 PolarHBondContact O-N 2.91Å; Y259-I263 HydrophobicContact CD1-CD1 3.82Å; Y259-I263 HydrophobicContact CE1-CD1 3.48Å; Y259-I263 VanDerWaalsContact CE1-CD1 3.48Å; Y259-I263 HydrophobicContact CE1-CG1 4.47Å; Y259-I263 WeakPolarHBondContact O-CG1 3.28Å; Y259-I263 PolarHBondContact O-N 3.3Å |
| 260 | I | 42.2 | Very low | 38.3 | Very low | 40 Ų | 40 | 98.9 Ų | 98.9 | 21% | 0.205 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -64.8 | -36.4 | 174.1 | -69.9 | 169.2 | 0 | 0 | 0 | 111.4 | V186 L187 I256 F258 S264 | V186-I260 HydrophobicContact CB-CD1 4.42Å; V186-I260 HydrophobicContact CG1-CD1 4.43Å; V186-I260 HydrophobicContact CG1-CG1 4.3Å; V186-I260 HydrophobicContact CG1-CG2 3.63Å; L187-I260 HydrophobicContact CD1-CG1 4.43Å; L187-I260 HydrophobicContact CD2-CG1 3.87Å; L187-I260 HydrophobicContact CG-CG1 4.17Å; I256-I260 HydrophobicContact CG2-CD1 3.85Å; I256-I260 WeakPolarHBondContact O-CD1 3.3Å; I256-I260 VanDerWaalsContact O-CG1 3.26Å; I256-I260 WeakPolarHBondContact O-CG1 3.44Å; I256-I260 PolarHBondContact O-N 3.11Å; I256-I260 VanDerWaalsContact O-N 3.12Å; F258-I260 VanDerWaalsContact C-N 3.34Å; F258-I260 PolarHBondContact O-N 2.95Å; I260-S264 PolarHBondContact O-N 3.28Å |
| 261 | L | 40.1 | Very low | 37.7 | Very low | 33 Ų | 33 | 99.5 Ų | 99.5 | 17% | 0.173 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -69.1 | -39 | 177.6 | -82.3 | 165.2 | 0 | 0 | 0 | 113 | F81 Y257 F258 Y259 S264 | F81-L261 HydrophobicContact CB-CD2 4.13Å; F81-L261 HydrophobicContact CD2-CD2 4.45Å; F81-L261 HydrophobicContact CG-CD2 4.49Å; Y257-L261 HydrophobicContact CD1-CD1 3.85Å; Y257-L261 HydrophobicContact CE1-CD1 3.46Å; Y257-L261 VanDerWaalsContact CE1-CD1 3.46Å; Y257-L261 PolarHBondContact O-N 3.11Å; F258-L261 PolarHBondContact O-N 3.46Å; Y259-L261 VanDerWaalsContact C-N 3.32Å; Y259-L261 PolarHBondContact O-N 3.13Å; L261-S264 PolarHBondContact O-N 3.29Å; L261-S264 PolarHBondContact O-OG 3.27Å |
| 262 | D | 36.4 | Very low | 37.2 | Very low | 108 Ų | 108 | 99.1 Ų | 99.1 | 58% | 0.578 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.2 | -35.1 | 178.4 | -86.2 | -20.6 | 0 | 0 | 0 | 112.7 | F258 Y259 S264 Q265 | F258-D262 PolarHBondContact O-N 2.84Å; F258-D262 VanDerWaalsContact O-N 3.11Å; Y259-D262 PolarHBondContact O-N 2.91Å; D262-S264 VanDerWaalsContact C-N 3.3Å; D262-S264 PolarHBondContact O-N 3Å; D262-Q265 PolarHBondContact O-N 2.77Å |
| 263 | I | 40.5 | Very low | 36.6 | Very low | 84 Ų | 84 | 105.7 Ų | 105.7 | 43% | 0.431 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.4 | -36.2 | 175 | -68.5 | 172.5 | 0 | 0 | 0 | 111 | L187 Y259 Q265 G266 | L187-I263 HydrophobicContact CD2-CD1 3.78Å; Y259-I263 HydrophobicContact CD1-CD1 3.82Å; Y259-I263 HydrophobicContact CE1-CD1 3.48Å; Y259-I263 VanDerWaalsContact CE1-CD1 3.48Å; Y259-I263 HydrophobicContact CE1-CG1 4.47Å; Y259-I263 WeakPolarHBondContact O-CG1 3.28Å; Y259-I263 PolarHBondContact O-N 3.3Å; I263-Q265 PolarHBondContact O-N 3.5Å; I263-G266 PolarHBondContact O-N 3.03Å |
| 264 | S | 36.2 | Very low | 35.9 | Very low | 79 Ų | 79 | 109.8 Ų | 109.8 | 55% | 0.552 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67.9 | -18.5 | 178.6 | 78 | 0 | 0 | 0 | 0 | 114.1 | I260 L261 D262 | I260-S264 PolarHBondContact O-N 3.28Å; L261-S264 PolarHBondContact O-N 3.29Å; L261-S264 PolarHBondContact O-OG 3.27Å; D262-S264 VanDerWaalsContact C-N 3.3Å; D262-S264 PolarHBondContact O-N 3Å |
| 265 | Q | 37.8 | Very low | 35.3 | Very low | 142 Ų | 142 | 110 Ų | 110 | 66% | 0.664 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -0.1 | -178.4 | -66.3 | -172.7 | 16.5 | 0 | 0 | 114.5 | D262 I263 R267 | D262-Q265 PolarHBondContact O-N 2.77Å; I263-Q265 PolarHBondContact O-N 3.5Å; Q265-R267 PolarHBondContact O-N 3.26Å |
| 266 | G | 34.9 | Very low | 34.6 | Very low | 69 Ų | 69 | 112.8 Ų | 112.8 | 71% | 0.711 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.7 | 25.2 | 165 | 0 | 0 | 0 | 0 | 0 | 116.8 | I263 | I263-G266 PolarHBondContact O-N 3.03Š|
| 267 | R | 35.2 | Very low | 33.5 | Very low | 244 Ų | 244 | 118.1 Ų | 118.1 | 92% | 0.921 | 64% | 0.643 | S | S | * | * | trans | -89 | 104.3 | 171.6 | -89.7 | -174.5 | 176.1 | -152.7 | -1.7 | 111.2 | Q265 | Q265-R267 PolarHBondContact O-N 3.26Š| ||
| 268 | S | 32.2 | Very low | 33.7 | Very low | 103 Ų | 103 | 117.8 Ų | 117.8 | 72% | 0.72 | 65% | 0.654 | S | S | * | * | trans | -128 | 109.1 | 161.4 | -177.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 269 | E | 30.1 | Very low | 32.8 | Very low | 199 Ų | 199 | 122.5 Ų | 122.5 | 93% | 0.93 | 68% | 0.677 | S | S | * | * | trans | -84.7 | 115 | 169.2 | -80.7 | -178.4 | 166.9 | 0 | 0 | 108.7 | ||||
| 270 | M | 25.6 | Very low | 32.5 | Very low | 171 Ų | 171 | 127.8 Ų | 127.8 | 84% | 0.842 | 70% | 0.702 | S | S | * | * | trans | -113 | 110 | 172.1 | -157.4 | -177.4 | -61.3 | 0 | 0 | 107.5 | ||||
| 271 | A | 25.5 | Very low | 32 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 86% | 0.86 | 73% | 0.732 | S | S | * | * | trans | -80.1 | 121.7 | 176 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 272 | S | 26.2 | Very low | 31.7 | Very low | 98 Ų | 98 | 138.8 Ų | 138.8 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | trans | -72.1 | 147.6 | 175 | 44.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 273 | L | 26.2 | Very low | 31.8 | Very low | 180 Ų | 180 | 139 Ų | 139 | 94% | 0.942 | 77% | 0.769 | S | S | * | * | trans | -144.2 | 133.1 | 154 | -106 | 144.1 | 0 | 0 | 0 | 110.2 | ||||
| 274 | D | 27.7 | Very low | 32 | Very low | 139 Ų | 139 | 143.9 Ų | 143.9 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | trans | -86 | 164.6 | -149.8 | -67.9 | -56.6 | 0 | 0 | 0 | 116.4 | ||||
| 275 | T | 28.6 | Very low | 32.1 | Very low | 131 Ų | 131 | 145.1 Ų | 145.1 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -56.3 | 134.6 | 168.4 | 49.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 276 | V | 24 | Very low | 32.2 | Very low | 148 Ų | 148 | 146.9 Ų | 146.9 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | trans | -144.8 | 135.9 | 146.2 | -176.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 277 | N | 25.5 | Very low | 32.6 | Very low | 147 Ų | 147 | 151.8 Ų | 151.8 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | trans | -130.1 | 171.6 | 174.3 | -151.9 | 24.9 | 0 | 0 | 0 | 106.8 | ||||
| 278 | P | 46.2 | Very low | 32.7 | Very low | 99 Ų | 99 | 147.1 Ų | 147.1 | 64% | 0.643 | 80% | 0.804 | S | S | * | * | -119.8 | 158.9 | -52.9 | 29.9 | -14.5 | 0 | 0 | 0 | 111.1 | |||||
| 279 | E | 26.5 | Very low | 33.4 | Very low | 186 Ų | 186 | 148.3 Ų | 148.3 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | trans | -160 | 126.4 | 149.2 | -115.8 | 173.4 | -154.6 | 0 | 0 | 113.5 | ||||
| 280 | K | 35.3 | Very low | 34.6 | Very low | 180 Ų | 180 | 147.7 Ų | 147.7 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | trans | 20.7 | 115.1 | 155.7 | -68 | 173.1 | 178.8 | 170.8 | 0 | 118.3 | ||||
| 281 | N | 30.8 | Very low | 36.7 | Very low | 155 Ų | 155 | 144.2 Ų | 144.2 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | 177.5 | 118.1 | 108.6 | -84 | -29.9 | 0 | 0 | 0 | 109.8 | |||||
| 282 | N | 34.9 | Very low | 39.1 | Very low | 149 Ų | 149 | 145.2 Ų | 145.2 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | -80.1 | 132.9 | 171.5 | -151.4 | 20.4 | 0 | 0 | 0 | 108.7 | ||||
| 283 | P | 37.2 | Very low | 42 | Very low | 113 Ų | 113 | 147.8 Ų | 147.8 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | -122.3 | 127.6 | 133.6 | 25.2 | -10.9 | 0 | 0 | 0 | 109.5 | S285 | P283-S285 PolarHBondContact O-N 2.74Å; P283-S285 VanDerWaalsContact O-N 3.11Å | ||
| 284 | E | 46 | Very low | 45.3 | Very low | 186 Ų | 186 | 142.6 Ų | 142.6 | 87% | 0.869 | 75% | 0.75 | S | S | * | * | trans | -31.1 | 105.6 | 175 | -65 | 166.4 | 161.2 | 0 | 0 | 113.5 | ||||
| 285 | S | 37.7 | Very low | 48.5 | Very low | 105 Ų | 105 | 136.3 Ų | 136.3 | 73% | 0.734 | 72% | 0.716 | S | S | * | * | trans | -92.1 | 112.7 | 159 | 56.3 | 0 | 0 | 0 | 0 | 107.9 | P283 E287 | P283-S285 PolarHBondContact O-N 2.74Å; P283-S285 VanDerWaalsContact O-N 3.11Å; S285-E287 PolarHBondContact O-N 3.3Å; S285-E287 VanDerWaalsContact O-N 3.1Å | ||
| 286 | Q | 40.2 | Very low | 51.6 | Low | 179 Ų | 179 | 134 Ų | 134 | 84% | 0.836 | 70% | 0.704 | S | S | * | * | trans | -46.5 | 115.4 | 167.3 | -69.2 | 174.4 | -43.6 | 0 | 0 | 109.5 | N288 | Q286-N288 VanDerWaalsContact C-N 3.34Å; Q286-N288 PolarHBondContact O-N 3.4Å | ||
| 287 | E | 43.1 | Very low | 54.8 | Low | 172 Ų | 172 | 127.3 Ų | 127.3 | 80% | 0.804 | 66% | 0.662 | S | S | * | * | trans | -63.2 | 99.9 | 163 | -78.5 | 175.9 | 156.9 | 0 | 0 | 106.9 | S285 D289 | S285-E287 PolarHBondContact O-N 3.3Å; S285-E287 VanDerWaalsContact O-N 3.1Å; E287-D289 PolarHBondContact O-N 2.95Å | ||
| 288 | N | 38.2 | Very low | 57.8 | Low | 145 Ų | 145 | 126.8 Ų | 126.8 | 78% | 0.775 | 67% | 0.665 | S | S | * | * | trans | -67.9 | 86 | 156.7 | -80.5 | -29.6 | 0 | 0 | 0 | 106.4 | Q286 E290 | Q286-N288 VanDerWaalsContact C-N 3.34Å; Q286-N288 PolarHBondContact O-N 3.4Å; N288-E290 VanDerWaalsContact C-N 3.31Å; N288-E290 PolarHBondContact O-N 3.33Å | ||
| 289 | D | 45.7 | Very low | 59.7 | Low | 129 Ų | 129 | 124.2 Ų | 124.2 | 69% | 0.69 | 66% | 0.656 | S | S | * | * | trans | -60 | 98.1 | 163.2 | -86.7 | -22.6 | 0 | 0 | 0 | 107.3 | E287 V291 | E287-D289 PolarHBondContact O-N 2.95Å; D289-V291 PolarHBondContact O-N 3.26Å | ||
| 290 | E | 55.4 | Low | 62.8 | Low | 186 Ų | 186 | 118.6 Ų | 118.6 | 87% | 0.869 | 63% | 0.632 | S | S | * | * | trans | -65.5 | 87.2 | 168.1 | -77.7 | -173 | 163.6 | 0 | 0 | 108.5 | N288 L292 | N288-E290 VanDerWaalsContact C-N 3.31Å; N288-E290 PolarHBondContact O-N 3.33Å; E290-L292 PolarHBondContact O-N 2.85Å | ||
| 291 | V | 70.5 | Confident | 65.7 | Low | 98 Ų | 98 | 110.9 Ų | 110.9 | 59% | 0.594 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 120.3 | 175.9 | -179.6 | 0 | 0 | 0 | 0 | 109 | D289 F293 | D289-V291 PolarHBondContact O-N 3.26Å; V291-F293 WeakPolarHBondContact O-CD2 3.29Å; V291-F293 WeakPolarHBondContact O-CE2 3.26Å; V291-F293 PolarHBondContact O-N 3.44Å; V291-F293 VanDerWaalsContact O-N 3.17Å |
| 292 | L | 74.5 | Confident | 68.8 | Low | 124 Ų | 124 | 103.5 Ų | 103.5 | 65% | 0.649 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 116.2 | 171 | -69.2 | 171.9 | 0 | 0 | 0 | 110 | E290 | E290-L292 PolarHBondContact O-N 2.85Š|
| 293 | F | 88.4 | Confident | 71.8 | Confident | 153 Ų | 153 | 96.6 Ų | 96.6 | 67% | 0.671 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -80.2 | 147.4 | 179.8 | -62.1 | -78.7 | 0 | 0 | 0 | 112.4 | V291 K533 R534 | V291-F293 WeakPolarHBondContact O-CD2 3.29Å; V291-F293 WeakPolarHBondContact O-CE2 3.26Å; V291-F293 PolarHBondContact O-N 3.44Å; V291-F293 VanDerWaalsContact O-N 3.17Å; F293-K533 HydrophobicContact CB-CD 4.29Å; F293-K533 HydrophobicContact CB-CG 4.15Å; F293-K533 CarbonylContact O-C 3.5Å; F293-K533 WeakPolarHBondContact O-CA 3.33Å; F293-K533 VanDerWaalsContact O-CB 3.28Å; F293-K533 WeakPolarHBondContact O-CB 3.31Å; F293-R534 PolarHBondContact O-N 3.39Å |
| 294 | D | 94.6 | Very high | 74.8 | Confident | 70 Ų | 70 | 91.2 Ų | 91.2 | 37% | 0.374 | 49% | 0.487 | S | S | . | . | B | Isolated β-bridge | trans | -103.4 | 149.4 | 175.6 | -61.1 | -15.3 | 0 | 0 | 0 | 110.8 | R534 | D294-R534 WeakPolarHBondContact CA-O 3.24Å; D294-R534 WeakPolarHBondContact OD1-CB 3.33Å; D294-R534 IonicContact OD1-CZ 3.17Å; D294-R534 IonicContact OD1-NE 2.74Å; D294-R534 PolarHBondContact OD1-NE 2.84Å; D294-R534 IonicContact OD1-NH2 2.77Å; D294-R534 PolarHBondContact OD1-NH2 2.68Å; D294-R534 IonicContact OD2-NH2 3.33Å; D294-R534 PolarHBondContact OD2-NH2 3.2Å |
| 295 | Y | 95.6 | Very high | 77.3 | Confident | 7 Ų | 7 | 82.4 Ų | 82.4 | 3% | 0.027 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 140.6 | 167.2 | -74.2 | -78.5 | 0 | 0 | 0 | 110.1 | M297 E412 P414 D459 L531 R532 K533 R534 V535 | Y295-M297 PolarHBondContact O-N 3.42Å; Y295-E412 WeakPolarHBondContact CD1-O 3.39Å; Y295-E412 VanDerWaalsContact CE1-O 3.28Å; Y295-E412 WeakPolarHBondContact CE1-O 3.34Å; Y295-P414 HydrophobicContact CD1-CG 4.4Å; Y295-P414 HydrophobicContact CD2-CB 4.25Å; Y295-P414 HydrophobicContact CD2-CG 4.16Å; Y295-P414 HydrophobicContact CE2-CB 4.27Å; Y295-P414 HydrophobicContact CG-CG 4.04Å; Y295-D459 HydrophobicContact CE1-CB 4.27Å; Y295-D459 WeakPolarHBondContact OH-CB 3.46Å; Y295-D459 PolarHBondContact OH-OD1 2.99Å; Y295-L531 HydrophobicContact CE2-CB 4.41Å; Y295-L531 HydrophobicContact CE2-CD2 3.91Å; Y295-R532 PolarHBondContact OH-N 3.06Å; Y295-K533 HydrophobicContact CD1-CB 4.23Å; Y295-K533 HydrophobicContact CD1-CD 4.16Å; Y295-K533 HydrophobicContact CD2-CB 3.63Å; Y295-K533 HydrophobicContact CE1-CB 4.2Å; Y295-K533 HydrophobicContact CE1-CD 4.31Å; Y295-K533 HydrophobicContact CE1-CG 4.46Å; Y295-K533 HydrophobicContact CE2-CB 3.61Å; Y295-K533 WeakPolarHBondContact CE2-O 3.48Å; Y295-K533 HydrophobicContact CG-CB 3.96Å; Y295-K533 HydrophobicContact CG-CD 4.48Å; Y295-R534 PolarHBondContact N-O 3.02Å; Y295-V535 HydrophobicContact CD2-CG2 3.6Å; Y295-V535 HydrophobicContact CE2-CG2 3.91Å |
| 296 | P | 93.2 | Very high | 80.2 | Confident | 84 Ų | 84 | 77.4 Ų | 77.4 | 55% | 0.545 | 41% | 0.411 | S | S | . | . | trans | -68.4 | 97.9 | 175.2 | 28.5 | -32.9 | 0 | 0 | 0 | 109.4 | ||||
| 297 | M | 92.1 | Very high | 82.9 | Confident | 6 Ų | 6 | 68.9 Ų | 68.9 | 3% | 0.03 | 37% | 0.371 | C | S | . | . | trans | -104.9 | 34.5 | -178.4 | -70.1 | -68.1 | -83.4 | 0 | 0 | 110.8 | Y295 R301 D370 P414 V535 F537 P538 | Y295-M297 PolarHBondContact O-N 3.42Å; M297-R301 VanDerWaalsContact C-NH1 3.31Å; M297-R301 VanDerWaalsContact CA-NH1 3.28Å; M297-R301 VanDerWaalsContact CB-NH1 3.26Å; M297-R301 VanDerWaalsContact CE-NH1 3.29Å; M297-R301 VanDerWaalsContact O-CZ 3.26Å; M297-R301 PolarHBondContact O-NH1 3.35Å; M297-R301 PolarHBondContact O-NH2 2.93Å; M297-R301 PolarHBondContact SD-NH1 3.12Å; M297-R301 VanDerWaalsContact SD-NH1 3.37Å; M297-D370 VanDerWaalsContact CA-OD2 3.31Å; M297-D370 WeakPolarHBondContact CA-OD2 3.35Å; M297-D370 HydrophobicContact SD-CB 3.82Å; M297-P414 HydrophobicContact SD-CG 4.16Å; M297-V535 HydrophobicContact CE-CG1 4.24Å; M297-F537 HydrophobicContact CE-CD1 3.67Å; M297-F537 HydrophobicContact CE-CE1 3.62Å; M297-P538 HydrophobicContact CB-CG 4.25Å; M297-P538 WeakPolarHBondContact O-CD 3.27Å; M297-P538 WeakPolarHBondContact O-CG 3.48Å | ||
| 298 | T | 86.9 | Confident | 85.5 | Confident | 136 Ų | 136 | 60.9 Ų | 60.9 | 83% | 0.834 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -104.1 | -3 | -171.5 | 55 | 0 | 0 | 0 | 0 | 114.7 | D370 | T298-D370 PolarHBondContact N-OD2 2.87Å; T298-D370 VanDerWaalsContact N-OD2 3.17Å |
| 299 | G | 85.9 | Confident | 88.3 | Confident | 45 Ų | 45 | 54 Ų | 54 | 46% | 0.464 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -102.4 | -147 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | R301 D370 | G299-R301 PolarHBondContact O-N 3.4Å; G299-D370 VanDerWaalsContact CA-OD1 3.3Å; G299-D370 WeakPolarHBondContact CA-OD1 3.49Å; G299-D370 WeakPolarHBondContact CA-OD2 3.49Å; G299-D370 PolarHBondContact N-OD1 3.15Å; G299-D370 PolarHBondContact N-OD2 3.43Å |
| 300 | N | 92.7 | Very high | 90.5 | Very high | 69 Ų | 69 | 50.2 Ų | 50.2 | 37% | 0.369 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 122.4 | 170.1 | 179.6 | -9 | 0 | 0 | 0 | 107.8 | G302 N369 D370 | N300-G302 PolarHBondContact O-N 3.46Å; N300-G302 VanDerWaalsContact O-N 3.17Å; N300-G302 PolarHBondContact OD1-N 3.36Å; N300-N369 CarbonylContact O-C 3.49Å; N300-N369 VanDerWaalsContact O-CA 3.3Å; N300-N369 WeakPolarHBondContact O-CA 3.38Å; N300-D370 PolarHBondContact O-N 3.26Å |
| 301 | R | 95.4 | Very high | 92.2 | Very high | 18 Ų | 18 | 44.3 Ų | 44.3 | 7% | 0.068 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.9 | -36.6 | -176.4 | -171.4 | 56.2 | 55.4 | -119.4 | -18.1 | 112.8 | M297 G299 G340 Y341 D370 S371 P538 | M297-R301 VanDerWaalsContact C-NH1 3.31Å; M297-R301 VanDerWaalsContact CA-NH1 3.28Å; M297-R301 VanDerWaalsContact CB-NH1 3.26Å; M297-R301 VanDerWaalsContact CE-NH1 3.29Å; M297-R301 VanDerWaalsContact O-CZ 3.26Å; M297-R301 PolarHBondContact O-NH1 3.35Å; M297-R301 PolarHBondContact O-NH2 2.93Å; M297-R301 PolarHBondContact SD-NH1 3.12Å; M297-R301 VanDerWaalsContact SD-NH1 3.37Å; G299-R301 PolarHBondContact O-N 3.4Å; R301-G340 VanDerWaalsContact CB-O 3.29Å; R301-G340 WeakPolarHBondContact CB-O 3.04Å; R301-Y341 HydrophobicContact CB-CD1 4.42Å; R301-Y341 HydrophobicContact CB-CD2 4.41Å; R301-Y341 HydrophobicContact CB-CG 4.34Å; R301-Y341 VanDerWaalsContact CD-CZ 3.49Å; R301-Y341 WeakPolarHBondContact CD-OH 3.39Å; R301-Y341 HydrophobicContact CG-CD1 3.72Å; R301-Y341 HydrophobicContact CG-CD2 3.3Å; R301-Y341 HydrophobicContact CG-CE1 3.58Å; R301-Y341 HydrophobicContact CG-CE2 3.16Å; R301-Y341 HydrophobicContact CG-CG 3.58Å; R301-D370 IonicContact CZ-OD2 2.95Å; R301-D370 IonicContact NH1-OD2 2.59Å; R301-D370 PolarHBondContact NH1-OD2 3.41Å; R301-D370 IonicContact NH2-OD2 3.14Å; R301-S371 PolarHBondContact O-N 2.9Å; R301-S371 VanDerWaalsContact O-N 3.14Å; R301-S371 PolarHBondContact O-OG 3.1Å; R301-P538 VanDerWaalsContact NH2-CD 3.32Å; R301-P538 VanDerWaalsContact NH2-CG 3.28Å |
| 302 | G | 97.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 110.1 | -155.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | N300 Y341 D342 | N300-G302 PolarHBondContact O-N 3.46Å; N300-G302 VanDerWaalsContact O-N 3.17Å; N300-G302 PolarHBondContact OD1-N 3.36Å; G302-Y341 WeakPolarHBondContact O-CA 3.17Å; G302-Y341 WeakPolarHBondContact O-CD1 3.29Å; G302-D342 PolarHBondContact O-N 3.35Å |
| 303 | I | 98.1 | Very high | 93.9 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 139.7 | -173 | -64.7 | 173.8 | 0 | 0 | 0 | 110.2 | Y344 I361 L372 V373 | I303-Y344 HydrophobicContact CG1-CE2 4.31Å; I303-Y344 HydrophobicContact CG2-CD2 3.83Å; I303-Y344 HydrophobicContact CG2-CE2 4.08Å; I303-I361 HydrophobicContact CD1-CD1 4.47Å; I303-I361 HydrophobicContact CG2-CD1 4.17Å; I303-L372 HydrophobicContact CB-CD1 4.05Å; I303-L372 HydrophobicContact CG2-CD1 4.3Å; I303-V373 PolarHBondContact O-N 2.83Å |
| 304 | C | 98.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 108.2 | 164.4 | 177.9 | 0 | 0 | 0 | 0 | 109.6 | F336 Y341 D342 V343 Y344 V373 | C304-F336 HydrophobicContact CB-CB 4.11Å; C304-F336 HydrophobicContact CB-CG 4.43Å; C304-Y341 HydrophobicContact CB-CD1 4.06Å; C304-Y341 HydrophobicContact CB-CG 3.99Å; C304-D342 PolarHBondContact N-O 3.1Å; C304-V343 HydrophobicContact CB-CG2 3.97Å; C304-V343 CarbonylContact O-C 2.96Å; C304-V343 WeakPolarHBondContact O-CA 3.21Å; C304-Y344 PolarHBondContact O-N 3.03Å; C304-V373 CarbonylContact C-O 3.59Å; C304-V373 WeakPolarHBondContact CA-O 3.41Å; C304-V373 HydrophobicContact CB-CB 4.09Å; C304-V373 HydrophobicContact CB-CG1 4.38Å |
| 305 | L | 98.5 | Very high | 93.7 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 127.5 | 174.1 | 174.4 | 67.1 | 0 | 0 | 0 | 109.3 | V307 Y346 F358 I361 V373 C374 C375 | L305-V307 HydrophobicContact CD2-CG2 4.36Å; L305-V307 HydrophobicContact CG-CG2 4.3Å; L305-Y346 HydrophobicContact CD1-CD2 3.41Å; L305-Y346 VanDerWaalsContact CD1-CD2 3.41Å; L305-Y346 HydrophobicContact CD1-CE2 3.55Å; L305-F358 HydrophobicContact CD2-CD2 4.18Å; L305-F358 HydrophobicContact CD2-CE2 3.95Å; L305-F358 HydrophobicContact CD2-CZ 4.42Å; L305-I361 HydrophobicContact CD2-CG1 4.18Å; L305-V373 PolarHBondContact N-O 3.31Å; L305-C374 HydrophobicContact CB-CB 4.49Å; L305-C374 CarbonylContact O-C 3.57Å; L305-C374 WeakPolarHBondContact O-CA 3.38Å; L305-C375 PolarHBondContact O-N 3.45Å |
| 306 | I | 98.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 116.2 | 172.4 | -54.6 | 178.4 | 0 | 0 | 0 | 108.6 | R329 L332 K333 V343 Y344 I345 Y346 C375 | I306-R329 HydrophobicContact CG2-CG 4.34Å; I306-L332 HydrophobicContact CD1-CB 3.81Å; I306-K333 HydrophobicContact CD1-CB 4.41Å; I306-V343 HydrophobicContact CD1-CG1 3.62Å; I306-V343 HydrophobicContact CG1-CG1 4.14Å; I306-Y344 PolarHBondContact N-O 2.97Å; I306-I345 HydrophobicContact CB-CG1 4.24Å; I306-I345 HydrophobicContact CD1-CG1 4.34Å; I306-I345 CarbonylContact O-C 3.52Å; I306-I345 WeakPolarHBondContact O-CA 3.11Å; I306-Y346 PolarHBondContact O-N 3.49Å; I306-C375 WeakPolarHBondContact CA-O 2.85Å; I306-C375 HydrophobicContact CG1-CB 4.16Å; I306-C375 HydrophobicContact CG2-CB 4.39Å |
| 307 | V | 98.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 114.7 | 169.2 | -178.7 | 0 | 0 | 0 | 0 | 108 | L305 Y346 R349 I354 L357 C375 L377 | L305-V307 HydrophobicContact CD2-CG2 4.36Å; L305-V307 HydrophobicContact CG-CG2 4.3Å; V307-Y346 WeakPolarHBondContact CA-O 3.42Å; V307-R349 HydrophobicContact CG1-CB 4.27Å; V307-R349 HydrophobicContact CG1-CG 4.35Å; V307-I354 HydrophobicContact CG1-CD1 4.49Å; V307-I354 HydrophobicContact CG1-CG1 4.22Å; V307-L357 HydrophobicContact CG2-CD1 4.33Å; V307-C375 PolarHBondContact N-O 2.73Å; V307-L377 PolarHBondContact O-N 2.59Å |
| 308 | D | 97.3 | Very high | 91.6 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 102.9 | -179.6 | -177.6 | 31.1 | 0 | 0 | 0 | 110.5 | T325 R329 Y346 L347 D348 L377 | D308-T325 WeakPolarHBondContact OD1-CB 3.46Å; D308-T325 WeakPolarHBondContact OD1-CG2 3.22Å; D308-T325 PolarHBondContact OD1-OG1 3.44Å; D308-R329 HydrophobicContact CB-CB 4.32Å; D308-R329 HydrophobicContact CB-CG 4.21Å; D308-R329 WeakPolarHBondContact OD2-CD 3.33Å; D308-Y346 PolarHBondContact N-O 3.48Å; D308-L347 HydrophobicContact CB-CD2 3.9Å; D308-L347 WeakPolarHBondContact O-CA 3.44Å; D308-D348 PolarHBondContact O-N 3.05Å; D308-L377 HydrophobicContact CB-CD1 4.38Å |
| 309 | N | 95.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -98 | 119.8 | 178 | -73.4 | -4 | 0 | 0 | 0 | 109.8 | F312 R322 D348 R349 L377 S378 Y386 V388 | N309-F312 HydrophobicContact CB-CE2 3.89Å; N309-F312 HydrophobicContact CB-CZ 3.62Å; N309-R322 WeakPolarHBondContact O-CB 3.25Å; N309-R322 WeakPolarHBondContact O-CD 3.34Å; N309-R322 PolarHBondContact O-NH1 2.87Å; N309-D348 WeakPolarHBondContact OD1-CA 3.32Å; N309-R349 PolarHBondContact ND2-O 3.22Å; N309-R349 VanDerWaalsContact ND2-O 3.08Å; N309-R349 PolarHBondContact OD1-N 3.24Å; N309-L377 PolarHBondContact N-O 3.4Å; N309-S378 PolarHBondContact ND2-OG 2.94Å; N309-Y386 PolarHBondContact ND2-O 2.91Å; N309-V388 HydrophobicContact CB-CG1 3.87Å | ||
| 310 | F | 92 | Very high | 90.8 | Very high | 51 Ų | 51 | 46.7 Ų | 46.7 | 22% | 0.224 | 25% | 0.248 | C | C | . | . | trans | -113.3 | -55.7 | -178.5 | 171.2 | -95.5 | 0 | 0 | 0 | 112.2 | F312 N321 R322 T325 D348 | F310-F312 WeakPolarHBondContact O-CD2 3.4Å; F310-N321 HydrophobicContact CZ-CB 4.33Å; F310-N321 WeakPolarHBondContact O-CA 3.35Å; F310-R322 VanDerWaalsContact CD2-O 3.3Å; F310-R322 WeakPolarHBondContact CD2-O 3.32Å; F310-R322 PolarHBondContact O-N 2.9Å; F310-T325 HydrophobicContact CB-CG2 3.86Å; F310-T325 HydrophobicContact CD2-CG2 3.93Å; F310-T325 HydrophobicContact CG-CG2 4.39Å; F310-D348 WeakPolarHBondContact CA-OD1 3.45Å; F310-D348 PolarHBondContact N-OD1 3.45Å | ||
| 311 | D | 92.3 | Very high | 90.3 | Very high | 61 Ų | 61 | 46.4 Ų | 46.4 | 33% | 0.326 | 25% | 0.246 | S | C | . | . | trans | -91.5 | 108 | -169.4 | -176.1 | 4.8 | 0 | 0 | 0 | 111.2 | S313 N321 D348 V388 | D311-S313 WeakPolarHBondContact OD1-CB 3.5Å; D311-S313 PolarHBondContact OD1-N 3.44Å; D311-S313 PolarHBondContact OD1-OG 3.4Å; D311-S313 PolarHBondContact OD2-OG 2.89Å; D311-N321 PolarHBondContact OD1-OD1 2.9Å; D311-D348 PolarHBondContact N-OD1 3.01Å; D311-V388 VanDerWaalsContact O-CB 3.26Å; D311-V388 WeakPolarHBondContact O-CB 3.44Å; D311-V388 WeakPolarHBondContact O-CG1 3.25Å | ||
| 312 | F | 91.2 | Very high | 89.6 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.009 | 24% | 0.243 | C | C | . | . | trans | -109.5 | 15.5 | 176.7 | -69.4 | -96.9 | 0 | 0 | 0 | 112.1 | N309 F310 K314 S315 L319 N321 R322 S378 H379 G387 V388 | N309-F312 HydrophobicContact CB-CE2 3.89Å; N309-F312 HydrophobicContact CB-CZ 3.62Å; F310-F312 WeakPolarHBondContact O-CD2 3.4Å; F312-K314 PolarHBondContact O-N 3.46Å; F312-S315 WeakPolarHBondContact O-CB 3.47Å; F312-S315 PolarHBondContact O-N 3.25Å; F312-L319 HydrophobicContact CB-CB 3.89Å; F312-L319 VanDerWaalsContact CB-O 3.27Å; F312-L319 WeakPolarHBondContact CB-O 3.49Å; F312-L319 HydrophobicContact CD1-CB 4.01Å; F312-L319 HydrophobicContact CD1-CD1 3.85Å; F312-L319 HydrophobicContact CE1-CD1 4.17Å; F312-L319 HydrophobicContact CG-CB 4.11Å; F312-N321 PolarHBondContact N-OD1 3.13Å; F312-R322 HydrophobicContact CD2-CG 4.27Å; F312-R322 HydrophobicContact CE2-CB 4.36Å; F312-R322 VanDerWaalsContact CE2-CD 3.48Å; F312-R322 HydrophobicContact CE2-CG 3.85Å; F312-S378 WeakPolarHBondContact CZ-OG 3.3Å; F312-H379 AromaticContact CD1-CD2 3.92Å; F312-H379 AromaticContact CD2-CD2 3.69Å; F312-H379 HydrophobicContact CE1-CB 4.39Å; F312-H379 AromaticContact CE1-CD2 3.84Å; F312-H379 AromaticContact CE2-CD2 3.65Å; F312-H379 AromaticContact CG-CD2 3.84Å; F312-H379 HydrophobicContact CZ-CB 4.41Å; F312-H379 AromaticContact CZ-CD2 3.71Å; F312-G387 VanDerWaalsContact CE1-O 3.3Å; F312-G387 WeakPolarHBondContact CE1-O 3.42Å; F312-V388 HydrophobicContact CZ-CG1 4.39Å | ||
| 313 | S | 88.8 | Confident | 88.6 | Confident | 84 Ų | 84 | 49.9 Ų | 49.9 | 59% | 0.587 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -24.7 | -178.8 | 60 | 0 | 0 | 0 | 0 | 114.2 | D311 N321 | D311-S313 WeakPolarHBondContact OD1-CB 3.5Å; D311-S313 PolarHBondContact OD1-N 3.44Å; D311-S313 PolarHBondContact OD1-OG 3.4Å; D311-S313 PolarHBondContact OD2-OG 2.89Å; S313-N321 PolarHBondContact N-OD1 2.78Å |
| 314 | K | 89.3 | Confident | 87.4 | Confident | 186 Ų | 186 | 50 Ų | 50 | 81% | 0.809 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | 11.5 | 177.4 | -61.3 | -178 | -176.9 | 173.5 | 0 | 113.5 | F312 | F312-K314 PolarHBondContact O-N 3.46Š|
| 315 | S | 90.1 | Very high | 86.7 | Confident | 10 Ų | 10 | 50 Ų | 50 | 7% | 0.07 | 27% | 0.266 | C | S | . | . | trans | -66.6 | 133.9 | -178.8 | 179.3 | 0 | 0 | 0 | 0 | 111.3 | F312 Q317 N318 G390 | F312-S315 WeakPolarHBondContact O-CB 3.47Å; F312-S315 PolarHBondContact O-N 3.25Å; S315-Q317 PolarHBondContact O-N 3.11Å; S315-Q317 PolarHBondContact OG-N 3.06Å; S315-N318 PolarHBondContact O-N 2.91Å; S315-G390 WeakPolarHBondContact OG-CA 3.45Å | ||
| 316 | C | 83.1 | Confident | 86.2 | Confident | 89 Ų | 89 | 54.4 Ų | 54.4 | 60% | 0.601 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -7.4 | 172.7 | 63.9 | 0 | 0 | 0 | 0 | 114 | D389 | C316-D389 PolarHBondContact N-O 3.04Å; C316-D389 PolarHBondContact SG-O 3.48Å |
| 317 | Q | 75.8 | Confident | 85.5 | Confident | 86 Ų | 86 | 56.8 Ų | 56.8 | 40% | 0.402 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 11.7 | -178 | -65.3 | -161.6 | 52.8 | 0 | 0 | 113.7 | S315 L319 Y386 G390 | S315-Q317 PolarHBondContact O-N 3.11Å; S315-Q317 PolarHBondContact OG-N 3.06Å; Q317-L319 HydrophobicContact CB-CD1 4.42Å; Q317-L319 HydrophobicContact CB-CG 4.03Å; Q317-L319 PolarHBondContact O-N 3.02Å; Q317-Y386 PolarHBondContact OE1-OH 2.89Å; Q317-G390 PolarHBondContact NE2-O 2.92Å |
| 318 | N | 78.5 | Confident | 85.1 | Confident | 150 Ų | 150 | 56.8 Ų | 56.8 | 80% | 0.802 | 30% | 0.302 | S | S | * | . | trans | 53.3 | 38.3 | -177.6 | -60.8 | -36.3 | 0 | 0 | 0 | 113.3 | S315 | S315-N318 PolarHBondContact O-N 2.91Š| ||
| 319 | L | 77.6 | Confident | 85 | Confident | 36 Ų | 36 | 58.7 Ų | 58.7 | 19% | 0.188 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 137.8 | 177.8 | -64 | 172.7 | 0 | 0 | 0 | 110.8 | F312 Q317 H379 Y386 | F312-L319 HydrophobicContact CB-CB 3.89Å; F312-L319 VanDerWaalsContact CB-O 3.27Å; F312-L319 WeakPolarHBondContact CB-O 3.49Å; F312-L319 HydrophobicContact CD1-CB 4.01Å; F312-L319 HydrophobicContact CD1-CD1 3.85Å; F312-L319 HydrophobicContact CE1-CD1 4.17Å; F312-L319 HydrophobicContact CG-CB 4.11Å; Q317-L319 HydrophobicContact CB-CD1 4.42Å; Q317-L319 HydrophobicContact CB-CG 4.03Å; Q317-L319 PolarHBondContact O-N 3.02Å; L319-H379 HydrophobicContact CD1-CB 4.01Å; L319-Y386 HydrophobicContact CD1-CD2 3.77Å; L319-Y386 HydrophobicContact CD1-CE2 4.44Å; L319-Y386 HydrophobicContact CD1-CG 3.9Å |
| 320 | N | 77.3 | Confident | 85 | Confident | 131 Ų | 131 | 61.6 Ų | 61.6 | 70% | 0.701 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -73.3 | 154.6 | 178.3 | -69.2 | -42.7 | 0 | 0 | 0 | 112.4 | H379 | N320-H379 PolarHBondContact O-NE2 2.98Š|
| 321 | N | 81.8 | Confident | 85.2 | Confident | 62 Ų | 62 | 59.3 Ų | 59.3 | 33% | 0.332 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 144.5 | 172.8 | -73.7 | 0 | 0 | 0 | 0 | 112.2 | F310 D311 F312 S313 E323 | F310-N321 HydrophobicContact CZ-CB 4.33Å; F310-N321 WeakPolarHBondContact O-CA 3.35Å; D311-N321 PolarHBondContact OD1-OD1 2.9Å; F312-N321 PolarHBondContact N-OD1 3.13Å; S313-N321 PolarHBondContact N-OD1 2.78Å; N321-E323 VanDerWaalsContact C-N 3.33Å; N321-E323 PolarHBondContact O-N 2.83Å; N321-E323 VanDerWaalsContact O-N 3.15Å |
| 322 | R | 81.6 | Confident | 85.4 | Confident | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.015 | 30% | 0.299 | C | S | . | . | trans | -91.2 | 63.4 | -173.9 | -81.9 | -176.6 | 88 | -100.4 | 5.7 | 110.6 | N309 F310 F312 T325 L377 S378 H379 Q420 R474 | N309-R322 WeakPolarHBondContact O-CB 3.25Å; N309-R322 WeakPolarHBondContact O-CD 3.34Å; N309-R322 PolarHBondContact O-NH1 2.87Å; F310-R322 VanDerWaalsContact CD2-O 3.3Å; F310-R322 WeakPolarHBondContact CD2-O 3.32Å; F310-R322 PolarHBondContact O-N 2.9Å; F312-R322 HydrophobicContact CD2-CG 4.27Å; F312-R322 HydrophobicContact CE2-CB 4.36Å; F312-R322 VanDerWaalsContact CE2-CD 3.48Å; F312-R322 HydrophobicContact CE2-CG 3.85Å; R322-T325 HydrophobicContact CB-CG2 4.45Å; R322-T325 PolarHBondContact NH1-OG1 3.45Å; R322-T325 VanDerWaalsContact O-CB 3.3Å; R322-T325 WeakPolarHBondContact O-CB 3.01Å; R322-T325 WeakPolarHBondContact O-CG2 3.49Å; R322-T325 PolarHBondContact O-N 2.96Å; R322-L377 PolarHBondContact NH1-O 3.39Å; R322-S378 VanDerWaalsContact CD-C 3.48Å; R322-S378 PolarHBondContact NE-O 3.08Å; R322-S378 VanDerWaalsContact NH2-N 3.13Å; R322-S378 PolarHBondContact NH2-O 3.34Å; R322-H379 WeakPolarHBondContact CG-NE2 3.07Å; R322-Q420 PolarHBondContact NH2-O 3.25Å; R322-R474 PolarHBondContact O-NH1 3.31Å | ||
| 323 | E | 75.6 | Confident | 85.8 | Confident | 87 Ų | 87 | 59.6 Ų | 59.6 | 41% | 0.407 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47 | 137.6 | 173.2 | -63.8 | -59.3 | 159.9 | 0 | 0 | 112.9 | N321 T325 R474 K476 | N321-E323 VanDerWaalsContact C-N 3.33Å; N321-E323 PolarHBondContact O-N 2.83Å; N321-E323 VanDerWaalsContact O-N 3.15Å; E323-T325 VanDerWaalsContact C-N 3.3Å; E323-T325 PolarHBondContact O-N 2.56Å; E323-R474 WeakPolarHBondContact O-CD 3.43Å; E323-R474 PolarHBondContact O-NH1 3.33Å; E323-K476 HydrophobicContact CB-CD 4.02Å; E323-K476 HydrophobicContact CB-CG 3.94Å |
| 324 | G | 74.1 | Confident | 86.2 | Confident | 8 Ų | 8 | 59.7 Ų | 59.7 | 8% | 0.082 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | -4.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | M326 V327 K476 | G324-M326 PolarHBondContact O-N 2.98Å; G324-V327 WeakPolarHBondContact O-CB 3.46Å; G324-V327 PolarHBondContact O-N 2.94Å; G324-V327 VanDerWaalsContact O-N 3.14Å; G324-K476 WeakPolarHBondContact CA-O 3.37Å |
| 325 | T | 82.6 | Confident | 86.6 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.6 | -27.7 | 178.6 | -161.7 | 0 | 0 | 0 | 0 | 113.3 | D308 F310 R322 E323 V327 D328 R329 | D308-T325 WeakPolarHBondContact OD1-CB 3.46Å; D308-T325 WeakPolarHBondContact OD1-CG2 3.22Å; D308-T325 PolarHBondContact OD1-OG1 3.44Å; F310-T325 HydrophobicContact CB-CG2 3.86Å; F310-T325 HydrophobicContact CD2-CG2 3.93Å; F310-T325 HydrophobicContact CG-CG2 4.39Å; R322-T325 HydrophobicContact CB-CG2 4.45Å; R322-T325 PolarHBondContact NH1-OG1 3.45Å; R322-T325 VanDerWaalsContact O-CB 3.3Å; R322-T325 WeakPolarHBondContact O-CB 3.01Å; R322-T325 WeakPolarHBondContact O-CG2 3.49Å; R322-T325 PolarHBondContact O-N 2.96Å; E323-T325 VanDerWaalsContact C-N 3.3Å; E323-T325 PolarHBondContact O-N 2.56Å; T325-V327 VanDerWaalsContact C-N 3.26Å; T325-V327 PolarHBondContact O-N 2.85Å; T325-D328 WeakPolarHBondContact O-CB 3.41Å; T325-D328 PolarHBondContact O-N 3.35Å; T325-D328 VanDerWaalsContact O-N 3.16Å; T325-R329 PolarHBondContact O-N 3.22Å |
| 326 | M | 88.1 | Confident | 87 | Confident | 93 Ų | 93 | 50.3 Ų | 50.3 | 46% | 0.458 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62 | -32.7 | 176.7 | -63.7 | -169.9 | -78.8 | 0 | 0 | 112.7 | G324 D328 R329 D330 | G324-M326 PolarHBondContact O-N 2.98Å; M326-D328 VanDerWaalsContact C-N 3.32Å; M326-D328 PolarHBondContact O-N 3.4Å; M326-R329 WeakPolarHBondContact O-CB 3.5Å; M326-R329 PolarHBondContact O-N 3.11Å; M326-D330 WeakPolarHBondContact O-CB 3.39Å; M326-D330 PolarHBondContact O-N 3.15Å |
| 327 | V | 85.3 | Confident | 87.7 | Confident | 50 Ų | 50 | 50 Ų | 50 | 30% | 0.303 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.9 | -40.2 | 177.5 | -176.5 | 0 | 0 | 0 | 0 | 110.5 | G324 T325 A331 | G324-V327 WeakPolarHBondContact O-CB 3.46Å; G324-V327 PolarHBondContact O-N 2.94Å; G324-V327 VanDerWaalsContact O-N 3.14Å; T325-V327 VanDerWaalsContact C-N 3.26Å; T325-V327 PolarHBondContact O-N 2.85Å; V327-A331 WeakPolarHBondContact O-CB 3.33Å; V327-A331 PolarHBondContact O-N 2.93Å |
| 328 | D | 88.8 | Confident | 88.7 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.2 | -43.6 | 175.3 | -72.1 | -18.2 | 0 | 0 | 0 | 111.9 | T325 M326 D330 A331 L332 L377 G479 T480 I483 Q484 | T325-D328 WeakPolarHBondContact O-CB 3.41Å; T325-D328 PolarHBondContact O-N 3.35Å; T325-D328 VanDerWaalsContact O-N 3.16Å; M326-D328 VanDerWaalsContact C-N 3.32Å; M326-D328 PolarHBondContact O-N 3.4Å; D328-D330 VanDerWaalsContact C-N 3.33Å; D328-D330 PolarHBondContact O-N 3.25Å; D328-A331 PolarHBondContact O-N 3.28Å; D328-L332 WeakPolarHBondContact O-CB 3.3Å; D328-L332 VanDerWaalsContact O-CG 3.25Å; D328-L332 WeakPolarHBondContact O-CG 3.49Å; D328-L332 PolarHBondContact O-N 2.76Å; D328-L377 HydrophobicContact CB-CD1 3.84Å; D328-G479 VanDerWaalsContact OD1-CA 3.32Å; D328-G479 WeakPolarHBondContact OD1-CA 3.36Å; D328-T480 VanDerWaalsContact CG-N 3.3Å; D328-T480 VanDerWaalsContact CG-OG1 3.31Å; D328-T480 PolarHBondContact OD1-N 3.44Å; D328-T480 WeakPolarHBondContact OD2-CB 3.42Å; D328-T480 WeakPolarHBondContact OD2-CG2 3.25Å; D328-T480 PolarHBondContact OD2-N 3.22Å; D328-T480 PolarHBondContact OD2-OG1 3Å; D328-I483 HydrophobicContact CB-CB 4.04Å; D328-I483 HydrophobicContact CB-CG1 4.32Å; D328-I483 HydrophobicContact CB-CG2 3.71Å; D328-Q484 PolarHBondContact OD1-NE2 3.02Å |
| 329 | R | 95.5 | Very high | 89.6 | Confident | 42 Ų | 42 | 40.1 Ų | 40.1 | 16% | 0.158 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55.2 | -49.1 | 175.3 | 177.6 | -157.9 | 70.5 | -158 | -2.6 | 111.1 | I306 D308 T325 M326 L332 K333 I345 L377 | I306-R329 HydrophobicContact CG2-CG 4.34Å; D308-R329 HydrophobicContact CB-CB 4.32Å; D308-R329 HydrophobicContact CB-CG 4.21Å; D308-R329 WeakPolarHBondContact OD2-CD 3.33Å; T325-R329 PolarHBondContact O-N 3.22Å; M326-R329 WeakPolarHBondContact O-CB 3.5Å; M326-R329 PolarHBondContact O-N 3.11Å; R329-L332 PolarHBondContact O-N 3.09Å; R329-K333 WeakPolarHBondContact O-CB 3.41Å; R329-K333 PolarHBondContact O-N 3.19Å; R329-I345 HydrophobicContact CG-CD1 4.22Å; R329-I345 HydrophobicContact CG-CG2 4.11Å; R329-L377 HydrophobicContact CB-CD1 4.19Å |
| 330 | D | 95.5 | Very high | 90.5 | Very high | 62 Ų | 62 | 40.3 Ų | 40.3 | 33% | 0.332 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -69.7 | -41 | -176.2 | -66.2 | -18 | 0 | 0 | 0 | 111.1 | M326 D328 L332 K333 E334 | M326-D330 WeakPolarHBondContact O-CB 3.39Å; M326-D330 PolarHBondContact O-N 3.15Å; D328-D330 VanDerWaalsContact C-N 3.33Å; D328-D330 PolarHBondContact O-N 3.25Å; D330-L332 PolarHBondContact O-N 3.03Å; D330-K333 WeakPolarHBondContact O-CB 3.4Å; D330-K333 PolarHBondContact O-N 3.47Å; D330-E334 WeakPolarHBondContact O-CG 3.32Å; D330-E334 PolarHBondContact O-N 3.09Å |
| 331 | A | 96 | Very high | 91.5 | Very high | 3 Ų | 3 | 34.4 Ų | 34.4 | 3% | 0.025 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.5 | -47 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V327 D328 E334 V335 C487 I547 | V327-A331 WeakPolarHBondContact O-CB 3.33Å; V327-A331 PolarHBondContact O-N 2.93Å; D328-A331 PolarHBondContact O-N 3.28Å; A331-E334 PolarHBondContact O-N 3.23Å; A331-V335 WeakPolarHBondContact O-CG2 3.42Å; A331-V335 PolarHBondContact O-N 3.5Å; A331-V335 VanDerWaalsContact O-N 3.08Å; A331-C487 HydrophobicContact CB-CB 4.41Å; A331-I547 HydrophobicContact CB-CD1 4.16Å; A331-I547 HydrophobicContact CB-CG2 3.66Å |
| 332 | L | 97.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.4 | -44.9 | 177 | -73.1 | 166.5 | 0 | 0 | 0 | 111.4 | I306 D328 R329 D330 V335 F336 C375 L377 I483 | I306-L332 HydrophobicContact CD1-CB 3.81Å; D328-L332 WeakPolarHBondContact O-CB 3.3Å; D328-L332 VanDerWaalsContact O-CG 3.25Å; D328-L332 WeakPolarHBondContact O-CG 3.49Å; D328-L332 PolarHBondContact O-N 2.76Å; R329-L332 PolarHBondContact O-N 3.09Å; D330-L332 PolarHBondContact O-N 3.03Å; L332-V335 PolarHBondContact O-N 3.3Å; L332-F336 HydrophobicContact CB-CD2 4.4Å; L332-F336 HydrophobicContact CD2-CD2 4.16Å; L332-F336 HydrophobicContact CD2-CE2 3.69Å; L332-F336 WeakPolarHBondContact O-CB 3.26Å; L332-F336 VanDerWaalsContact O-CD2 3.26Å; L332-F336 WeakPolarHBondContact O-CD2 3.5Å; L332-F336 PolarHBondContact O-N 3.13Å; L332-C375 HydrophobicContact CD1-CB 3.97Å; L332-L377 HydrophobicContact CD1-CD1 4.23Å; L332-L377 HydrophobicContact CD1-CD2 3.96Å; L332-L377 HydrophobicContact CD1-CG 4.43Å; L332-I483 HydrophobicContact CD1-CD1 4.21Å; L332-I483 HydrophobicContact CD1-CG2 3.87Å; L332-I483 HydrophobicContact CD2-CD1 4.39Å; L332-I483 HydrophobicContact CD2-CG2 3.95Å; L332-I483 HydrophobicContact CG-CG2 3.62Å |
| 333 | K | 98.3 | Very high | 93.1 | Very high | 68 Ų | 68 | 36.4 Ų | 36.4 | 30% | 0.296 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -55.9 | -53.6 | 177.1 | -178.7 | -169.4 | -176.8 | -71.3 | 0 | 110.7 | I306 R329 D330 V335 F336 E337 V343 I345 | I306-K333 HydrophobicContact CD1-CB 4.41Å; R329-K333 WeakPolarHBondContact O-CB 3.41Å; R329-K333 PolarHBondContact O-N 3.19Å; D330-K333 WeakPolarHBondContact O-CB 3.4Å; D330-K333 PolarHBondContact O-N 3.47Å; K333-V335 PolarHBondContact O-N 2.9Å; K333-F336 PolarHBondContact O-N 2.87Å; K333-E337 VanDerWaalsContact CE-OE1 3.27Å; K333-E337 WeakPolarHBondContact CE-OE1 3.18Å; K333-E337 HydrophobicContact CG-CG 4.39Å; K333-E337 IonicContact NZ-OE1 3.48Å; K333-E337 PolarHBondContact NZ-OE1 3.34Å; K333-E337 IonicContact NZ-OE2 3.71Å; K333-E337 PolarHBondContact NZ-OE2 2.9Å; K333-E337 VanDerWaalsContact O-CB 3.29Å; K333-E337 WeakPolarHBondContact O-CB 3.49Å; K333-E337 VanDerWaalsContact O-CG 3.27Å; K333-E337 WeakPolarHBondContact O-CG 3.43Å; K333-E337 PolarHBondContact O-N 3.32Å; K333-V343 HydrophobicContact CB-CG1 4.46Å; K333-V343 HydrophobicContact CG-CG1 4.19Å; K333-I345 HydrophobicContact CB-CD1 4.09Å; K333-I345 HydrophobicContact CD-CD1 3.67Å; K333-I345 HydrophobicContact CG-CD1 3.96Å |
| 334 | E | 97.7 | Very high | 94.2 | Very high | 86 Ų | 86 | 36.1 Ų | 36.1 | 40% | 0.402 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -59.9 | -44.8 | -178 | -73.1 | -177.3 | -174.6 | 0 | 0 | 112.5 | D330 A331 W338 P545 | D330-E334 WeakPolarHBondContact O-CG 3.32Å; D330-E334 PolarHBondContact O-N 3.09Å; A331-E334 PolarHBondContact O-N 3.23Å; E334-W338 VanDerWaalsContact O-CB 3.24Å; E334-W338 WeakPolarHBondContact O-CB 3.37Å; E334-W338 PolarHBondContact O-N 2.73Å; E334-P545 HydrophobicContact CB-CB 4.08Å; E334-P545 HydrophobicContact CB-CG 4.35Å |
| 335 | V | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.3 | -48.4 | 179.8 | 175 | 0 | 0 | 0 | 0 | 111.6 | A331 L332 K333 W338 L339 C487 L490 I491 P545 I547 | A331-V335 WeakPolarHBondContact O-CG2 3.42Å; A331-V335 PolarHBondContact O-N 3.5Å; A331-V335 VanDerWaalsContact O-N 3.08Å; L332-V335 PolarHBondContact O-N 3.3Å; K333-V335 PolarHBondContact O-N 2.9Å; V335-W338 WeakPolarHBondContact O-CB 3.34Å; V335-W338 PolarHBondContact O-N 3.05Å; V335-L339 HydrophobicContact CG1-CD1 3.88Å; V335-L339 HydrophobicContact CG1-CG 4.29Å; V335-L339 VanDerWaalsContact O-CG 3.3Å; V335-L339 WeakPolarHBondContact O-CG 2.88Å; V335-L339 PolarHBondContact O-N 3.13Å; V335-C487 HydrophobicContact CG2-CB 3.79Å; V335-L490 HydrophobicContact CG1-CB 3.93Å; V335-L490 HydrophobicContact CG1-CD1 3.87Å; V335-I491 HydrophobicContact CG2-CD1 3.99Å; V335-I491 HydrophobicContact CG2-CG1 4.12Å; V335-P545 HydrophobicContact CG2-CG 4.36Å; V335-I547 HydrophobicContact CG2-CD1 3.41Å; V335-I547 VanDerWaalsContact CG2-CD1 3.41Å |
| 336 | F | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -72.5 | -32.1 | -175.7 | -77 | -70.4 | 0 | 0 | 0 | 112.1 | C304 L332 K333 W338 L339 G340 Y341 V343 V373 F418 L490 | C304-F336 HydrophobicContact CB-CB 4.11Å; C304-F336 HydrophobicContact CB-CG 4.43Å; L332-F336 HydrophobicContact CB-CD2 4.4Å; L332-F336 HydrophobicContact CD2-CD2 4.16Å; L332-F336 HydrophobicContact CD2-CE2 3.69Å; L332-F336 WeakPolarHBondContact O-CB 3.26Å; L332-F336 VanDerWaalsContact O-CD2 3.26Å; L332-F336 WeakPolarHBondContact O-CD2 3.5Å; L332-F336 PolarHBondContact O-N 3.13Å; K333-F336 PolarHBondContact O-N 2.87Å; F336-W338 VanDerWaalsContact C-N 3.35Å; F336-L339 HydrophobicContact CD1-CD1 4.05Å; F336-L339 HydrophobicContact CE1-CD1 4.18Å; F336-L339 PolarHBondContact O-N 3.4Å; F336-G340 PolarHBondContact O-N 2.9Å; F336-Y341 HydrophobicContact CB-CD2 4.22Å; F336-Y341 AromaticContact CD1-CD2 3.61Å; F336-Y341 HydrophobicContact CD1-CD2 3.61Å; F336-Y341 AromaticContact CD1-CE2 3.7Å; F336-Y341 HydrophobicContact CD1-CE2 3.7Å; F336-Y341 HydrophobicContact CD1-CG 4.35Å; F336-Y341 HydrophobicContact CE1-CE2 4.18Å; F336-Y341 HydrophobicContact CG-CD2 4.41Å; F336-Y341 WeakPolarHBondContact O-CB 3.5Å; F336-Y341 PolarHBondContact O-N 2.92Å; F336-V343 HydrophobicContact CB-CG2 3.92Å; F336-V373 HydrophobicContact CD1-CG1 4.22Å; F336-V373 HydrophobicContact CD1-CG2 4.24Å; F336-V373 HydrophobicContact CE1-CB 4.35Å; F336-V373 HydrophobicContact CE1-CG1 3.8Å; F336-V373 HydrophobicContact CE1-CG2 3.83Å; F336-V373 HydrophobicContact CE2-CG1 4.22Å; F336-V373 HydrophobicContact CZ-CG1 3.81Å; F336-F418 HydrophobicContact CE1-CE2 4.39Å; F336-F418 HydrophobicContact CZ-CD2 4.02Å; F336-F418 AromaticContact CZ-CE2 3.7Å; F336-F418 HydrophobicContact CZ-CE2 3.7Å; F336-L490 HydrophobicContact CZ-CD1 4.24Å |
| 337 | E | 97.8 | Very high | 96.6 | Very high | 82 Ų | 82 | 40.5 Ų | 40.5 | 38% | 0.383 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.9 | -41.8 | 167.5 | -74.8 | 176.9 | 167.3 | 0 | 0 | 111.3 | K333 G340 V343 | K333-E337 VanDerWaalsContact CE-OE1 3.27Å; K333-E337 WeakPolarHBondContact CE-OE1 3.18Å; K333-E337 HydrophobicContact CG-CG 4.39Å; K333-E337 IonicContact NZ-OE1 3.48Å; K333-E337 PolarHBondContact NZ-OE1 3.34Å; K333-E337 IonicContact NZ-OE2 3.71Å; K333-E337 PolarHBondContact NZ-OE2 2.9Å; K333-E337 VanDerWaalsContact O-CB 3.29Å; K333-E337 WeakPolarHBondContact O-CB 3.49Å; K333-E337 VanDerWaalsContact O-CG 3.27Å; K333-E337 WeakPolarHBondContact O-CG 3.43Å; K333-E337 PolarHBondContact O-N 3.32Å; E337-G340 PolarHBondContact O-N 3.35Å; E337-V343 HydrophobicContact CB-CG2 4.49Å; E337-V343 HydrophobicContact CG-CB 4.05Å; E337-V343 HydrophobicContact CG-CG2 3.59Å |
| 338 | W | 97.5 | Very high | 97.1 | Very high | 19 Ų | 19 | 40.9 Ų | 40.9 | 7% | 0.072 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.4 | -39.2 | 175.6 | 170.2 | 68.4 | 0 | 0 | 0 | 112.5 | E334 V335 F336 G340 I491 V494 P495 P540 K542 P543 P544 P545 | E334-W338 VanDerWaalsContact O-CB 3.24Å; E334-W338 WeakPolarHBondContact O-CB 3.37Å; E334-W338 PolarHBondContact O-N 2.73Å; V335-W338 WeakPolarHBondContact O-CB 3.34Å; V335-W338 PolarHBondContact O-N 3.05Å; F336-W338 VanDerWaalsContact C-N 3.35Å; W338-G340 PolarHBondContact O-N 3.19Å; W338-I491 HydrophobicContact CZ3-CG1 4.3Å; W338-V494 HydrophobicContact CH2-CB 4.2Å; W338-V494 HydrophobicContact CH2-CG1 4.29Å; W338-V494 HydrophobicContact CZ3-CB 4.41Å; W338-P495 HydrophobicContact CH2-CG 4.15Å; W338-P495 HydrophobicContact CZ2-CG 4.39Å; W338-P540 HydrophobicContact CD2-CB 4.38Å; W338-P540 HydrophobicContact CD2-CG 3.88Å; W338-P540 HydrophobicContact CE3-CG 4.38Å; W338-P540 HydrophobicContact CG-CB 4.42Å; W338-P540 HydrophobicContact CG-CG 4.31Å; W338-P540 HydrophobicContact CH2-CG 4.31Å; W338-P540 HydrophobicContact CZ2-CB 4.33Å; W338-P540 HydrophobicContact CZ2-CG 3.78Å; W338-P540 WeakPolarHBondContact O-CB 3.5Å; W338-P540 WeakPolarHBondContact O-CG 3.48Å; W338-K542 PolarHBondContact NE1-O 3.35Å; W338-P543 PolarHBondContact NE1-O 3.09Å; W338-P544 HydrophobicContact CH2-CB 4.23Å; W338-P544 HydrophobicContact CH2-CG 4.37Å; W338-P544 HydrophobicContact CZ2-CB 3.81Å; W338-P544 HydrophobicContact CZ2-CG 3.75Å; W338-P545 HydrophobicContact CB-CG 4.12Å; W338-P545 VanDerWaalsContact CG-CD 3.49Å; W338-P545 HydrophobicContact CG-CG 4.32Å |
| 339 | L | 97.1 | Very high | 97.6 | Very high | 9 Ų | 9 | 44.6 Ų | 44.6 | 5% | 0.047 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -4.3 | 173.5 | -65.9 | 174.3 | 0 | 0 | 0 | 113.8 | V335 F336 Y341 V494 F537 P540 | V335-L339 HydrophobicContact CG1-CD1 3.88Å; V335-L339 HydrophobicContact CG1-CG 4.29Å; V335-L339 VanDerWaalsContact O-CG 3.3Å; V335-L339 WeakPolarHBondContact O-CG 2.88Å; V335-L339 PolarHBondContact O-N 3.13Å; F336-L339 HydrophobicContact CD1-CD1 4.05Å; F336-L339 HydrophobicContact CE1-CD1 4.18Å; F336-L339 PolarHBondContact O-N 3.4Å; L339-Y341 HydrophobicContact CB-CD2 4.03Å; L339-Y341 HydrophobicContact CB-CE2 4.2Å; L339-V494 HydrophobicContact CD2-CB 4.3Å; L339-V494 HydrophobicContact CD2-CG1 3.81Å; L339-V494 HydrophobicContact CD2-CG2 4.01Å; L339-F537 HydrophobicContact CD2-CB 4.28Å; L339-F537 HydrophobicContact CD2-CG 4.37Å; L339-P540 HydrophobicContact CD2-CG 4.16Å |
| 340 | G | 96.8 | Very high | 97.7 | Very high | 41 Ų | 41 | 44.7 Ų | 44.7 | 42% | 0.423 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.9 | 16.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | R301 F336 E337 W338 | R301-G340 VanDerWaalsContact CB-O 3.29Å; R301-G340 WeakPolarHBondContact CB-O 3.04Å; F336-G340 PolarHBondContact O-N 2.9Å; E337-G340 PolarHBondContact O-N 3.35Å; W338-G340 PolarHBondContact O-N 3.19Å |
| 341 | Y | 98.2 | Very high | 97.8 | Very high | 6 Ų | 6 | 42 Ų | 42 | 2% | 0.024 | 21% | 0.21 | C | C | . | . | trans | -79.5 | 148.2 | 174.8 | -72.9 | -92 | 0 | 0 | 0 | 112.4 | R301 G302 C304 F336 L339 V343 S371 V373 M416 F537 | R301-Y341 HydrophobicContact CB-CD1 4.42Å; R301-Y341 HydrophobicContact CB-CD2 4.41Å; R301-Y341 HydrophobicContact CB-CG 4.34Å; R301-Y341 VanDerWaalsContact CD-CZ 3.49Å; R301-Y341 WeakPolarHBondContact CD-OH 3.39Å; R301-Y341 HydrophobicContact CG-CD1 3.72Å; R301-Y341 HydrophobicContact CG-CD2 3.3Å; R301-Y341 HydrophobicContact CG-CE1 3.58Å; R301-Y341 HydrophobicContact CG-CE2 3.16Å; R301-Y341 HydrophobicContact CG-CG 3.58Å; G302-Y341 WeakPolarHBondContact O-CA 3.17Å; G302-Y341 WeakPolarHBondContact O-CD1 3.29Å; C304-Y341 HydrophobicContact CB-CD1 4.06Å; C304-Y341 HydrophobicContact CB-CG 3.99Å; F336-Y341 HydrophobicContact CB-CD2 4.22Å; F336-Y341 AromaticContact CD1-CD2 3.61Å; F336-Y341 HydrophobicContact CD1-CD2 3.61Å; F336-Y341 AromaticContact CD1-CE2 3.7Å; F336-Y341 HydrophobicContact CD1-CE2 3.7Å; F336-Y341 HydrophobicContact CD1-CG 4.35Å; F336-Y341 HydrophobicContact CE1-CE2 4.18Å; F336-Y341 HydrophobicContact CG-CD2 4.41Å; F336-Y341 WeakPolarHBondContact O-CB 3.5Å; F336-Y341 PolarHBondContact O-N 2.92Å; L339-Y341 HydrophobicContact CB-CD2 4.03Å; L339-Y341 HydrophobicContact CB-CE2 4.2Å; Y341-V343 PolarHBondContact O-N 3.42Å; Y341-S371 VanDerWaalsContact CE1-OG 3.3Å; Y341-S371 WeakPolarHBondContact CE1-OG 3.29Å; Y341-S371 PolarHBondContact OH-OG 3.31Å; Y341-V373 HydrophobicContact CD1-CG2 4.23Å; Y341-V373 HydrophobicContact CE1-CB 4.14Å; Y341-V373 HydrophobicContact CE1-CG2 3.47Å; Y341-V373 VanDerWaalsContact CE1-CG2 3.47Å; Y341-V373 HydrophobicContact CE2-CG2 4.04Å; Y341-V373 WeakPolarHBondContact OH-CG2 3.47Å; Y341-M416 WeakPolarHBondContact OH-CE 3.25Å; Y341-F537 AromaticContact CE2-CE1 3.98Å; Y341-F537 HydrophobicContact CE2-CE1 3.98Å; Y341-F537 WeakPolarHBondContact OH-CE1 3.25Å | ||
| 342 | D | 97.8 | Very high | 97.8 | Very high | 80 Ų | 80 | 44.5 Ų | 44.5 | 43% | 0.428 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 101.8 | 163.1 | -65.7 | -41.3 | 0 | 0 | 0 | 109 | G302 C304 Y344 | G302-D342 PolarHBondContact O-N 3.35Å; C304-D342 PolarHBondContact N-O 3.1Å; D342-Y344 HydrophobicContact CB-CE2 4Å; D342-Y344 WeakPolarHBondContact O-CD2 3.49Å |
| 343 | V | 98.5 | Very high | 97.9 | Very high | 28 Ų | 28 | 47.8 Ų | 47.8 | 17% | 0.17 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 126.9 | -175.9 | -178.4 | 0 | 0 | 0 | 0 | 111.6 | C304 I306 K333 F336 E337 Y341 I345 | C304-V343 HydrophobicContact CB-CG2 3.97Å; C304-V343 CarbonylContact O-C 2.96Å; C304-V343 WeakPolarHBondContact O-CA 3.21Å; I306-V343 HydrophobicContact CD1-CG1 3.62Å; I306-V343 HydrophobicContact CG1-CG1 4.14Å; K333-V343 HydrophobicContact CB-CG1 4.46Å; K333-V343 HydrophobicContact CG-CG1 4.19Å; F336-V343 HydrophobicContact CB-CG2 3.92Å; E337-V343 HydrophobicContact CB-CG2 4.49Å; E337-V343 HydrophobicContact CG-CB 4.05Å; E337-V343 HydrophobicContact CG-CG2 3.59Å; Y341-V343 PolarHBondContact O-N 3.42Å; V343-I345 HydrophobicContact CG1-CD1 4.45Å; V343-I345 HydrophobicContact CG1-CG1 4.02Å |
| 344 | Y | 98.3 | Very high | 97.8 | Very high | 82 Ų | 82 | 44.5 Ų | 44.5 | 32% | 0.322 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 123.3 | 174 | -62.7 | -91.6 | 0 | 0 | 0 | 110.6 | I303 C304 I306 D342 R364 | I303-Y344 HydrophobicContact CG1-CE2 4.31Å; I303-Y344 HydrophobicContact CG2-CD2 3.83Å; I303-Y344 HydrophobicContact CG2-CE2 4.08Å; C304-Y344 PolarHBondContact O-N 3.03Å; I306-Y344 PolarHBondContact N-O 2.97Å; D342-Y344 HydrophobicContact CB-CE2 4Å; D342-Y344 WeakPolarHBondContact O-CD2 3.49Å; Y344-R364 PolarHBondContact OH-NH1 3.14Å |
| 345 | I | 98.6 | Very high | 97.8 | Very high | 56 Ų | 56 | 44.4 Ų | 44.4 | 29% | 0.287 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 128.7 | -175.5 | -58.4 | 178.1 | 0 | 0 | 0 | 110 | I306 R329 K333 V343 L347 | I306-I345 HydrophobicContact CB-CG1 4.24Å; I306-I345 HydrophobicContact CD1-CG1 4.34Å; I306-I345 CarbonylContact O-C 3.52Å; I306-I345 WeakPolarHBondContact O-CA 3.11Å; R329-I345 HydrophobicContact CG-CD1 4.22Å; R329-I345 HydrophobicContact CG-CG2 4.11Å; K333-I345 HydrophobicContact CB-CD1 4.09Å; K333-I345 HydrophobicContact CD-CD1 3.67Å; K333-I345 HydrophobicContact CG-CD1 3.96Å; V343-I345 HydrophobicContact CG1-CD1 4.45Å; V343-I345 HydrophobicContact CG1-CG1 4.02Å; I345-L347 HydrophobicContact CG2-CD2 3.78Å |
| 346 | Y | 98.4 | Very high | 97.8 | Very high | 59 Ų | 59 | 49.4 Ų | 49.4 | 23% | 0.231 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 117.5 | 175.9 | -66.2 | -91.6 | 0 | 0 | 0 | 110 | L305 I306 V307 D308 L357 | L305-Y346 HydrophobicContact CD1-CD2 3.41Å; L305-Y346 VanDerWaalsContact CD1-CD2 3.41Å; L305-Y346 HydrophobicContact CD1-CE2 3.55Å; I306-Y346 PolarHBondContact O-N 3.49Å; V307-Y346 WeakPolarHBondContact CA-O 3.42Å; D308-Y346 PolarHBondContact N-O 3.48Å; Y346-L357 HydrophobicContact CD1-CD1 4.02Å; Y346-L357 HydrophobicContact CD1-CD2 3.72Å; Y346-L357 HydrophobicContact CD2-CD1 4.13Å; Y346-L357 HydrophobicContact CD2-CD2 4.03Å; Y346-L357 HydrophobicContact CE1-CD2 3.53Å; Y346-L357 HydrophobicContact CE2-CD2 3.84Å; Y346-L357 HydrophobicContact CG-CD1 3.72Å; Y346-L357 HydrophobicContact CG-CD2 3.96Å |
| 347 | L | 98.1 | Very high | 97.7 | Very high | 78 Ų | 78 | 50.3 Ų | 50.3 | 41% | 0.408 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 148 | 179.8 | -51.6 | -178.1 | 0 | 0 | 0 | 111.4 | D308 I345 R349 | D308-L347 HydrophobicContact CB-CD2 3.9Å; D308-L347 WeakPolarHBondContact O-CA 3.44Å; I345-L347 HydrophobicContact CG2-CD2 3.78Å; L347-R349 PolarHBondContact O-N 3.41Å; L347-R349 PolarHBondContact O-NE 3.04Å |
| 348 | D | 97.3 | Very high | 97.7 | Very high | 58 Ų | 58 | 46.4 Ų | 46.4 | 31% | 0.31 | 24% | 0.243 | S | C | . | . | S | Bend | trans | 45.6 | 56.9 | 166.1 | -62.3 | -41.8 | 0 | 0 | 0 | 114.4 | D308 N309 F310 D311 V388 | D308-D348 PolarHBondContact O-N 3.05Å; N309-D348 WeakPolarHBondContact OD1-CA 3.32Å; F310-D348 WeakPolarHBondContact CA-OD1 3.45Å; F310-D348 PolarHBondContact N-OD1 3.45Å; D311-D348 PolarHBondContact N-OD1 3.01Å; D348-V388 HydrophobicContact CB-CG1 3.87Å; D348-V388 WeakPolarHBondContact O-CG2 3.41Å |
| 349 | R | 98.3 | Very high | 97.7 | Very high | 77 Ų | 77 | 47 Ų | 47 | 29% | 0.291 | 25% | 0.251 | S | S | . | . | trans | -89.6 | 130.9 | -178.8 | -60.3 | -65.8 | 147.6 | 174.3 | 6.6 | 111.1 | V307 N309 L347 Q353 I354 L357 G387 V388 | V307-R349 HydrophobicContact CG1-CB 4.27Å; V307-R349 HydrophobicContact CG1-CG 4.35Å; N309-R349 PolarHBondContact ND2-O 3.22Å; N309-R349 VanDerWaalsContact ND2-O 3.08Å; N309-R349 PolarHBondContact OD1-N 3.24Å; L347-R349 PolarHBondContact O-N 3.41Å; L347-R349 PolarHBondContact O-NE 3.04Å; R349-Q353 HydrophobicContact CB-CB 4.09Å; R349-I354 HydrophobicContact CB-CD1 4.49Å; R349-I354 HydrophobicContact CB-CG1 3.68Å; R349-L357 HydrophobicContact CG-CD1 3.89Å; R349-G387 WeakPolarHBondContact O-CA 3.23Å; R349-V388 PolarHBondContact O-N 3.46Å; R349-V388 VanDerWaalsContact O-N 3.1Å | ||
| 350 | N | 97.7 | Very high | 97.6 | Very high | 45 Ų | 45 | 52.3 Ų | 52.3 | 24% | 0.241 | 27% | 0.272 | C | S | . | . | trans | -73.1 | 169 | 171.6 | 72.9 | 34.3 | 0 | 0 | 0 | 110.9 | A352 Q353 I354 V388 D389 | N350-A352 VanDerWaalsContact C-N 3.29Å; N350-A352 PolarHBondContact O-N 2.67Å; N350-A352 PolarHBondContact OD1-N 2.88Å; N350-A352 VanDerWaalsContact OD1-N 3.16Å; N350-Q353 PolarHBondContact O-N 3.11Å; N350-Q353 VanDerWaalsContact O-N 3.16Å; N350-Q353 WeakPolarHBondContact OD1-CB 3.41Å; N350-Q353 VanDerWaalsContact OD1-CG 3.25Å; N350-Q353 WeakPolarHBondContact OD1-CG 3.31Å; N350-Q353 PolarHBondContact OD1-N 3.13Å; N350-I354 WeakPolarHBondContact O-CG1 3.37Å; N350-I354 PolarHBondContact O-N 3.44Å; N350-V388 HydrophobicContact CB-CG2 4.28Å; N350-D389 HydrophobicContact CB-CB 4.03Å | ||
| 351 | A | 97 | Very high | 97.6 | Very high | 6 Ų | 6 | 50.6 Ų | 50.6 | 5% | 0.05 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.2 | -40 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | K355 D389 N391 V393 | A351-K355 WeakPolarHBondContact O-CG 3.26Å; A351-K355 PolarHBondContact O-N 2.76Å; A351-D389 PolarHBondContact N-OD1 3.28Å; A351-N391 HydrophobicContact CB-CB 3.5Å; A351-N391 VanDerWaalsContact CB-CB 3.5Å; A351-V393 HydrophobicContact CB-CG2 3.48Å; A351-V393 VanDerWaalsContact CB-CG2 3.48Å |
| 352 | A | 97.5 | Very high | 97.4 | Very high | 54 Ų | 54 | 50.5 Ų | 50.5 | 45% | 0.446 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -67.1 | -45.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | N350 I354 K355 D356 | N350-A352 VanDerWaalsContact C-N 3.29Å; N350-A352 PolarHBondContact O-N 2.67Å; N350-A352 PolarHBondContact OD1-N 2.88Å; N350-A352 VanDerWaalsContact OD1-N 3.16Å; A352-I354 VanDerWaalsContact C-N 3.31Å; A352-I354 PolarHBondContact O-N 2.9Å; A352-K355 WeakPolarHBondContact O-CB 3.43Å; A352-K355 PolarHBondContact O-N 2.82Å; A352-K355 VanDerWaalsContact O-N 3.1Å; A352-D356 VanDerWaalsContact O-CG 3.28Å; A352-D356 PolarHBondContact O-N 3.28Å |
| 353 | Q | 98.1 | Very high | 97.2 | Very high | 69 Ų | 69 | 54.3 Ų | 54.3 | 32% | 0.322 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.4 | -36 | 178.7 | -71.3 | 169.5 | -20 | 0 | 0 | 112.6 | R349 N350 D356 L357 | R349-Q353 HydrophobicContact CB-CB 4.09Å; N350-Q353 PolarHBondContact O-N 3.11Å; N350-Q353 VanDerWaalsContact O-N 3.16Å; N350-Q353 WeakPolarHBondContact OD1-CB 3.41Å; N350-Q353 VanDerWaalsContact OD1-CG 3.25Å; N350-Q353 WeakPolarHBondContact OD1-CG 3.31Å; N350-Q353 PolarHBondContact OD1-N 3.13Å; Q353-D356 PolarHBondContact O-N 2.91Å; Q353-L357 WeakPolarHBondContact O-CB 3.36Å; Q353-L357 VanDerWaalsContact O-CG 3.24Å; Q353-L357 WeakPolarHBondContact O-CG 3.49Å; Q353-L357 PolarHBondContact O-N 3.03Å |
| 354 | I | 98 | Very high | 97 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.2 | -46 | 173.9 | -65 | 170.6 | 0 | 0 | 0 | 110.2 | V307 R349 N350 A352 L357 F358 V393 L398 | V307-I354 HydrophobicContact CG1-CD1 4.49Å; V307-I354 HydrophobicContact CG1-CG1 4.22Å; R349-I354 HydrophobicContact CB-CD1 4.49Å; R349-I354 HydrophobicContact CB-CG1 3.68Å; N350-I354 WeakPolarHBondContact O-CG1 3.37Å; N350-I354 PolarHBondContact O-N 3.44Å; A352-I354 VanDerWaalsContact C-N 3.31Å; A352-I354 PolarHBondContact O-N 2.9Å; I354-L357 PolarHBondContact O-N 3.39Å; I354-F358 HydrophobicContact CG2-CD2 4.38Å; I354-F358 WeakPolarHBondContact O-CD2 3.2Å; I354-F358 PolarHBondContact O-N 3.35Å; I354-F358 VanDerWaalsContact O-N 3.15Å; I354-V393 HydrophobicContact CG2-CG1 4.44Å; I354-L398 HydrophobicContact CG2-CD1 4.08Å; I354-L398 HydrophobicContact CG2-CD2 4.1Å |
| 355 | K | 96.9 | Very high | 96.9 | Very high | 83 Ų | 83 | 58.4 Ų | 58.4 | 36% | 0.361 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 177 | -67.4 | 174.5 | -175.8 | 179.1 | 0 | 111.3 | A351 A352 L357 F358 A359 V393 L398 | A351-K355 WeakPolarHBondContact O-CG 3.26Å; A351-K355 PolarHBondContact O-N 2.76Å; A352-K355 WeakPolarHBondContact O-CB 3.43Å; A352-K355 PolarHBondContact O-N 2.82Å; A352-K355 VanDerWaalsContact O-N 3.1Å; K355-L357 VanDerWaalsContact C-N 3.3Å; K355-L357 PolarHBondContact O-N 2.92Å; K355-F358 PolarHBondContact O-N 3.17Å; K355-A359 WeakPolarHBondContact O-CB 3.18Å; K355-A359 PolarHBondContact O-N 3.16Å; K355-V393 HydrophobicContact CG-CG1 3.91Å; K355-L398 HydrophobicContact CG-CD2 4.33Å |
| 356 | D | 97.4 | Very high | 96.8 | Very high | 105 Ų | 105 | 55.7 Ų | 55.7 | 56% | 0.561 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -62.3 | -37.9 | 178.8 | -67.1 | -20.3 | 0 | 0 | 0 | 111.8 | A352 Q353 A359 Y360 | A352-D356 VanDerWaalsContact O-CG 3.28Å; A352-D356 PolarHBondContact O-N 3.28Å; Q353-D356 PolarHBondContact O-N 2.91Å; D356-A359 PolarHBondContact O-N 3.23Å; D356-Y360 VanDerWaalsContact O-CB 3.25Å; D356-Y360 WeakPolarHBondContact O-CB 3.45Å; D356-Y360 PolarHBondContact O-N 2.8Å |
| 357 | L | 97.7 | Very high | 96.6 | Very high | 19 Ų | 19 | 56.4 Ų | 56.4 | 10% | 0.099 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.7 | -46.2 | 174.9 | -76 | 170.8 | 0 | 0 | 0 | 112 | V307 Y346 R349 Q353 I354 K355 Y360 I361 | V307-L357 HydrophobicContact CG2-CD1 4.33Å; Y346-L357 HydrophobicContact CD1-CD1 4.02Å; Y346-L357 HydrophobicContact CD1-CD2 3.72Å; Y346-L357 HydrophobicContact CD2-CD1 4.13Å; Y346-L357 HydrophobicContact CD2-CD2 4.03Å; Y346-L357 HydrophobicContact CE1-CD2 3.53Å; Y346-L357 HydrophobicContact CE2-CD2 3.84Å; Y346-L357 HydrophobicContact CG-CD1 3.72Å; Y346-L357 HydrophobicContact CG-CD2 3.96Å; R349-L357 HydrophobicContact CG-CD1 3.89Å; Q353-L357 WeakPolarHBondContact O-CB 3.36Å; Q353-L357 VanDerWaalsContact O-CG 3.24Å; Q353-L357 WeakPolarHBondContact O-CG 3.49Å; Q353-L357 PolarHBondContact O-N 3.03Å; I354-L357 PolarHBondContact O-N 3.39Å; K355-L357 VanDerWaalsContact C-N 3.3Å; K355-L357 PolarHBondContact O-N 2.92Å; L357-Y360 PolarHBondContact O-N 3.14Å; L357-I361 WeakPolarHBondContact O-CG1 3.42Å; L357-I361 PolarHBondContact O-N 3.19Å |
| 358 | F | 97.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 63 Ų | 63 | 0% | 0.004 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.9 | -39.1 | 177 | -90.6 | -100.5 | 0 | 0 | 0 | 112.1 | L305 I354 K355 I361 G362 C374 I376 L398 C401 I402 L417 | L305-F358 HydrophobicContact CD2-CD2 4.18Å; L305-F358 HydrophobicContact CD2-CE2 3.95Å; L305-F358 HydrophobicContact CD2-CZ 4.42Å; I354-F358 HydrophobicContact CG2-CD2 4.38Å; I354-F358 WeakPolarHBondContact O-CD2 3.2Å; I354-F358 PolarHBondContact O-N 3.35Å; I354-F358 VanDerWaalsContact O-N 3.15Å; K355-F358 PolarHBondContact O-N 3.17Å; F358-I361 PolarHBondContact O-N 2.86Å; F358-G362 PolarHBondContact O-N 3.1Å; F358-C374 HydrophobicContact CE1-CB 4.06Å; F358-C374 HydrophobicContact CZ-CB 3.78Å; F358-I376 HydrophobicContact CE2-CD1 3.89Å; F358-I376 HydrophobicContact CE2-CG1 4.36Å; F358-I376 HydrophobicContact CZ-CD1 3.86Å; F358-I376 HydrophobicContact CZ-CG1 4.36Å; F358-L398 HydrophobicContact CB-CD2 3.97Å; F358-L398 HydrophobicContact CD1-CB 3.71Å; F358-L398 HydrophobicContact CD1-CD2 4.46Å; F358-L398 WeakPolarHBondContact CD1-O 3.46Å; F358-L398 HydrophobicContact CD2-CB 4.35Å; F358-L398 HydrophobicContact CD2-CD1 4.23Å; F358-L398 HydrophobicContact CD2-CD2 3.81Å; F358-L398 HydrophobicContact CD2-CG 4.35Å; F358-L398 HydrophobicContact CE1-CB 3.87Å; F358-L398 HydrophobicContact CE2-CB 4.49Å; F358-L398 HydrophobicContact CE2-CD1 4Å; F358-L398 HydrophobicContact CE2-CD2 4.43Å; F358-L398 HydrophobicContact CG-CB 3.95Å; F358-L398 HydrophobicContact CG-CD2 3.82Å; F358-L398 HydrophobicContact CG-CG 4.34Å; F358-L398 HydrophobicContact CZ-CB 4.26Å; F358-L398 HydrophobicContact CZ-CD1 4.23Å; F358-C401 HydrophobicContact CB-CB 4.11Å; F358-I402 HydrophobicContact CD1-CG2 4.43Å; F358-L417 HydrophobicContact CE1-CD2 4.43Å |
| 359 | A | 96.4 | Very high | 96.4 | Very high | 31 Ų | 31 | 61 Ų | 61 | 26% | 0.256 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | K355 D356 G362 Q363 | K355-A359 WeakPolarHBondContact O-CB 3.18Å; K355-A359 PolarHBondContact O-N 3.16Å; D356-A359 PolarHBondContact O-N 3.23Å; A359-G362 PolarHBondContact O-N 2.93Å; A359-Q363 VanDerWaalsContact O-CG 3.29Å; A359-Q363 WeakPolarHBondContact O-CG 3.12Å; A359-Q363 PolarHBondContact O-N 2.73Å; A359-Q363 VanDerWaalsContact O-N 3.13Å |
| 360 | Y | 96.4 | Very high | 96.4 | Very high | 121 Ų | 121 | 58.3 Ų | 58.3 | 48% | 0.475 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62 | -46.8 | 176 | 172.7 | -102.3 | 0 | 0 | 0 | 111.8 | D356 L357 Q363 R364 | D356-Y360 VanDerWaalsContact O-CB 3.25Å; D356-Y360 WeakPolarHBondContact O-CB 3.45Å; D356-Y360 PolarHBondContact O-N 2.8Å; L357-Y360 PolarHBondContact O-N 3.14Å; Y360-Q363 PolarHBondContact O-N 3.43Å; Y360-R364 PolarHBondContact O-N 3.01Å |
| 361 | I | 96 | Very high | 96.4 | Very high | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.1 | -46.9 | 175.9 | -69.5 | -58.7 | 0 | 0 | 0 | 110.7 | I303 L305 L357 F358 Q363 R364 H366 L372 I402 | I303-I361 HydrophobicContact CD1-CD1 4.47Å; I303-I361 HydrophobicContact CG2-CD1 4.17Å; L305-I361 HydrophobicContact CD2-CG1 4.18Å; L357-I361 WeakPolarHBondContact O-CG1 3.42Å; L357-I361 PolarHBondContact O-N 3.19Å; F358-I361 PolarHBondContact O-N 2.86Å; I361-Q363 PolarHBondContact O-N 3.17Å; I361-Q363 VanDerWaalsContact O-N 3.14Å; I361-R364 WeakPolarHBondContact O-CB 3.47Å; I361-R364 PolarHBondContact O-N 3.42Å; I361-H366 PolarHBondContact O-NE2 3.43Å; I361-L372 HydrophobicContact CG2-CD1 3.85Å; I361-L372 HydrophobicContact CG2-CD2 3.98Å; I361-I402 HydrophobicContact CG2-CG2 4.45Å |
| 362 | G | 93.7 | Very high | 96.5 | Very high | 4 Ų | 4 | 55.9 Ų | 55.9 | 4% | 0.041 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60 | -23.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | F358 A359 C401 C407 | F358-G362 PolarHBondContact O-N 3.1Å; A359-G362 PolarHBondContact O-N 2.93Å; G362-C401 WeakPolarHBondContact CA-O 3.36Å; G362-C407 VanDerWaalsContact O-CB 3.3Å; G362-C407 WeakPolarHBondContact O-CB 3.43Å; G362-C407 PolarHBondContact O-SG 3.26Å |
| 363 | Q | 94.2 | Very high | 96.5 | Very high | 161 Ų | 161 | 53.3 Ų | 53.3 | 75% | 0.752 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -9.8 | 176.6 | -72.2 | 171.4 | 35.2 | 0 | 0 | 114 | A359 Y360 I361 | A359-Q363 VanDerWaalsContact O-CG 3.29Å; A359-Q363 WeakPolarHBondContact O-CG 3.12Å; A359-Q363 PolarHBondContact O-N 2.73Å; A359-Q363 VanDerWaalsContact O-N 3.13Å; Y360-Q363 PolarHBondContact O-N 3.43Å; I361-Q363 PolarHBondContact O-N 3.17Å; I361-Q363 VanDerWaalsContact O-N 3.14Å |
| 364 | R | 94.9 | Very high | 96.5 | Very high | 80 Ų | 80 | 50 Ų | 50 | 30% | 0.302 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -72.9 | 156.8 | 178.1 | -66.8 | -173.5 | 69.1 | 170.5 | -2.3 | 110.9 | Y344 Y360 I361 H366 | Y344-R364 PolarHBondContact OH-NH1 3.14Å; Y360-R364 PolarHBondContact O-N 3.01Å; I361-R364 WeakPolarHBondContact O-CB 3.47Å; I361-R364 PolarHBondContact O-N 3.42Å; R364-H366 PolarHBondContact O-CD2 3.28Å; R364-H366 PolarHBondContact O-N 3.16Å |
| 365 | D | 94.9 | Very high | 96.5 | Very high | 115 Ų | 115 | 50.1 Ų | 50.1 | 62% | 0.615 | 24% | 0.239 | S | C | * | . | trans | -82.4 | 112.6 | 170.4 | -179.3 | 19.9 | 0 | 0 | 0 | 110.4 | S367 | D365-S367 WeakPolarHBondContact OD1-CB 3.41Å; D365-S367 PolarHBondContact OD1-N 3.26Å; D365-S367 PolarHBondContact OD1-OG 3.4Å | ||
| 366 | H | 96.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -99.7 | 10 | 176.1 | -62.8 | -97.6 | 0 | 0 | 0 | 112.6 | I361 R364 R368 N369 S409 L410 K413 | I361-H366 PolarHBondContact O-NE2 3.43Å; R364-H366 PolarHBondContact O-CD2 3.28Å; R364-H366 PolarHBondContact O-N 3.16Å; H366-R368 PolarHBondContact O-N 2.86Å; H366-R368 VanDerWaalsContact O-N 3.08Å; H366-N369 HydrophobicContact CB-CB 4.25Å; H366-N369 PolarHBondContact ND1-ND2 3.48Å; H366-N369 WeakPolarHBondContact O-CB 3.35Å; H366-N369 PolarHBondContact O-N 2.79Å; H366-S409 WeakPolarHBondContact CB-OG 3.47Å; H366-S409 PolarHBondContact N-OG 2.59Å; H366-L410 HydrophobicContact CB-CD2 3.53Å; H366-L410 HydrophobicContact CB-CG 3.83Å; H366-K413 PolarHBondContact O-NZ 3.4Å | ||
| 367 | S | 94.9 | Very high | 96.4 | Very high | 73 Ų | 73 | 41.2 Ų | 41.2 | 51% | 0.51 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -34.3 | -172.4 | -61.9 | 0 | 0 | 0 | 0 | 113.1 | D365 K413 | D365-S367 WeakPolarHBondContact OD1-CB 3.41Å; D365-S367 PolarHBondContact OD1-N 3.26Å; D365-S367 PolarHBondContact OD1-OG 3.4Å; S367-K413 VanDerWaalsContact C-NZ 3.29Å; S367-K413 PolarHBondContact O-NZ 3.07Å |
| 368 | R | 94.7 | Very high | 96.2 | Very high | 216 Ų | 216 | 40.4 Ų | 40.4 | 82% | 0.815 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -7.2 | 177.2 | -63.2 | -174.9 | 177.4 | -174.7 | -0.7 | 114.9 | H366 | H366-R368 PolarHBondContact O-N 2.86Å; H366-R368 VanDerWaalsContact O-N 3.08Å |
| 369 | N | 96.8 | Very high | 95.6 | Very high | 16 Ų | 16 | 42.1 Ų | 42.1 | 9% | 0.086 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 142.9 | -179.9 | -62.2 | -11 | 0 | 0 | 0 | 109.6 | N300 H366 K413 | N300-N369 CarbonylContact O-C 3.49Å; N300-N369 VanDerWaalsContact O-CA 3.3Å; N300-N369 WeakPolarHBondContact O-CA 3.38Å; H366-N369 HydrophobicContact CB-CB 4.25Å; H366-N369 PolarHBondContact ND1-ND2 3.48Å; H366-N369 WeakPolarHBondContact O-CB 3.35Å; H366-N369 PolarHBondContact O-N 2.79Å; N369-K413 WeakPolarHBondContact O-CD 3.19Å; N369-K413 WeakPolarHBondContact O-CE 3.47Å; N369-K413 PolarHBondContact O-NZ 3.46Å |
| 370 | D | 97.3 | Very high | 94.9 | Very high | 21 Ų | 21 | 41.1 Ų | 41.1 | 11% | 0.112 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | -32.5 | 176.2 | -65 | -12 | 0 | 0 | 0 | 110.9 | M297 T298 G299 N300 R301 K413 P414 | M297-D370 VanDerWaalsContact CA-OD2 3.31Å; M297-D370 WeakPolarHBondContact CA-OD2 3.35Å; M297-D370 HydrophobicContact SD-CB 3.82Å; T298-D370 PolarHBondContact N-OD2 2.87Å; T298-D370 VanDerWaalsContact N-OD2 3.17Å; G299-D370 VanDerWaalsContact CA-OD1 3.3Å; G299-D370 WeakPolarHBondContact CA-OD1 3.49Å; G299-D370 WeakPolarHBondContact CA-OD2 3.49Å; G299-D370 PolarHBondContact N-OD1 3.15Å; G299-D370 PolarHBondContact N-OD2 3.43Å; N300-D370 PolarHBondContact O-N 3.26Å; R301-D370 IonicContact CZ-OD2 2.95Å; R301-D370 IonicContact NH1-OD2 2.59Å; R301-D370 PolarHBondContact NH1-OD2 3.41Å; R301-D370 IonicContact NH2-OD2 3.14Å; D370-K413 WeakPolarHBondContact O-CB 3.4Å; D370-P414 WeakPolarHBondContact O-CD 3.4Å |
| 371 | S | 97.8 | Very high | 94 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 174.6 | -171.7 | 68.1 | 0 | 0 | 0 | 0 | 113.2 | R301 Y341 P414 | R301-S371 PolarHBondContact O-N 2.9Å; R301-S371 VanDerWaalsContact O-N 3.14Å; R301-S371 PolarHBondContact O-OG 3.1Å; Y341-S371 VanDerWaalsContact CE1-OG 3.3Å; Y341-S371 WeakPolarHBondContact CE1-OG 3.29Å; Y341-S371 PolarHBondContact OH-OG 3.31Å; S371-P414 WeakPolarHBondContact CA-O 3.43Å; S371-P414 WeakPolarHBondContact CB-O 3.46Å |
| 372 | L | 98.3 | Very high | 93 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 134 | 170.6 | 174.1 | 65.1 | 0 | 0 | 0 | 109.8 | I303 I361 I402 L410 P414 M416 | I303-L372 HydrophobicContact CB-CD1 4.05Å; I303-L372 HydrophobicContact CG2-CD1 4.3Å; I361-L372 HydrophobicContact CG2-CD1 3.85Å; I361-L372 HydrophobicContact CG2-CD2 3.98Å; L372-I402 HydrophobicContact CD2-CB 4.07Å; L372-I402 HydrophobicContact CD2-CD1 4.01Å; L372-I402 HydrophobicContact CD2-CG2 3.85Å; L372-L410 HydrophobicContact CB-CD1 4.42Å; L372-L410 HydrophobicContact CB-CD2 4.03Å; L372-L410 HydrophobicContact CD2-CD1 3.73Å; L372-P414 PolarHBondContact N-O 3.29Å; L372-P414 VanDerWaalsContact N-O 3.08Å; L372-M416 PolarHBondContact O-N 3.32Å |
| 373 | V | 98.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 136.9 | 171 | 175.7 | 0 | 0 | 0 | 0 | 110 | I303 C304 L305 F336 Y341 M416 F418 | I303-V373 PolarHBondContact O-N 2.83Å; C304-V373 CarbonylContact C-O 3.59Å; C304-V373 WeakPolarHBondContact CA-O 3.41Å; C304-V373 HydrophobicContact CB-CB 4.09Å; C304-V373 HydrophobicContact CB-CG1 4.38Å; L305-V373 PolarHBondContact N-O 3.31Å; F336-V373 HydrophobicContact CD1-CG1 4.22Å; F336-V373 HydrophobicContact CD1-CG2 4.24Å; F336-V373 HydrophobicContact CE1-CB 4.35Å; F336-V373 HydrophobicContact CE1-CG1 3.8Å; F336-V373 HydrophobicContact CE1-CG2 3.83Å; F336-V373 HydrophobicContact CE2-CG1 4.22Å; F336-V373 HydrophobicContact CZ-CG1 3.81Å; Y341-V373 HydrophobicContact CD1-CG2 4.23Å; Y341-V373 HydrophobicContact CE1-CB 4.14Å; Y341-V373 HydrophobicContact CE1-CG2 3.47Å; Y341-V373 VanDerWaalsContact CE1-CG2 3.47Å; Y341-V373 HydrophobicContact CE2-CG2 4.04Å; Y341-V373 WeakPolarHBondContact OH-CG2 3.47Å; V373-M416 CarbonylContact C-O 3.57Å; V373-M416 VanDerWaalsContact CA-O 3.3Å; V373-M416 WeakPolarHBondContact CA-O 3.45Å; V373-M416 HydrophobicContact CG2-CB 4.23Å; V373-M416 HydrophobicContact CG2-CE 3.74Å; V373-F418 HydrophobicContact CG1-CD2 4.06Å; V373-F418 HydrophobicContact CG1-CE2 4.13Å |
| 374 | C | 98.2 | Very high | 91.8 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 121.2 | 170.9 | -59.8 | 0 | 0 | 0 | 0 | 110.3 | L305 F358 M416 L417 F418 | L305-C374 HydrophobicContact CB-CB 4.49Å; L305-C374 CarbonylContact O-C 3.57Å; L305-C374 WeakPolarHBondContact O-CA 3.38Å; F358-C374 HydrophobicContact CE1-CB 4.06Å; F358-C374 HydrophobicContact CZ-CB 3.78Å; C374-M416 PolarHBondContact N-O 3.04Å; C374-L417 HydrophobicContact CB-CD1 4.17Å; C374-L417 HydrophobicContact CB-CG 4.1Å; C374-L417 CarbonylContact O-C 3.28Å; C374-L417 VanDerWaalsContact O-CA 3.24Å; C374-L417 WeakPolarHBondContact O-CA 3.35Å; C374-F418 PolarHBondContact O-N 3.14Å |
| 375 | C | 98.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.007 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 128.5 | 176.6 | -60.1 | 0 | 0 | 0 | 0 | 109.4 | L305 I306 V307 L332 F418 | L305-C375 PolarHBondContact O-N 3.45Å; I306-C375 WeakPolarHBondContact CA-O 2.85Å; I306-C375 HydrophobicContact CG1-CB 4.16Å; I306-C375 HydrophobicContact CG2-CB 4.39Å; V307-C375 PolarHBondContact N-O 2.73Å; L332-C375 HydrophobicContact CD1-CB 3.97Å; C375-F418 CarbonylContact C-O 3.58Å; C375-F418 VanDerWaalsContact CA-O 3.26Å; C375-F418 WeakPolarHBondContact CA-O 3.45Å |
| 376 | I | 97.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 116.1 | 175.6 | -54.1 | 176.1 | 0 | 0 | 0 | 108.9 | F358 V385 L398 F418 Q420 | F358-I376 HydrophobicContact CE2-CD1 3.89Å; F358-I376 HydrophobicContact CE2-CG1 4.36Å; F358-I376 HydrophobicContact CZ-CD1 3.86Å; F358-I376 HydrophobicContact CZ-CG1 4.36Å; I376-V385 HydrophobicContact CG2-CB 4.42Å; I376-V385 HydrophobicContact CG2-CG1 4.14Å; I376-V385 HydrophobicContact CG2-CG2 4.26Å; I376-L398 HydrophobicContact CD1-CD1 3.68Å; I376-F418 PolarHBondContact N-O 3.1Å; I376-Q420 PolarHBondContact O-N 2.86Å |
| 377 | L | 94.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 98.6 | 173.1 | -45.2 | 179.7 | 0 | 0 | 0 | 107.4 | V307 D308 N309 R322 D328 R329 L332 Q420 I483 | V307-L377 PolarHBondContact O-N 2.59Å; D308-L377 HydrophobicContact CB-CD1 4.38Å; N309-L377 PolarHBondContact N-O 3.4Å; R322-L377 PolarHBondContact NH1-O 3.39Å; D328-L377 HydrophobicContact CB-CD1 3.84Å; R329-L377 HydrophobicContact CB-CD1 4.19Å; L332-L377 HydrophobicContact CD1-CD1 4.23Å; L332-L377 HydrophobicContact CD1-CD2 3.96Å; L332-L377 HydrophobicContact CD1-CG 4.43Å; L377-Q420 HydrophobicContact CD2-CB 3.59Å; L377-Q420 HydrophobicContact CD2-CG 4.22Å; L377-I483 HydrophobicContact CD2-CD1 4.11Å; L377-I483 HydrophobicContact CD2-CG1 3.97Å |
| 378 | S | 92.2 | Very high | 91.5 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.014 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -147.2 | 179.3 | 178.5 | -160.8 | 0 | 0 | 0 | 0 | 113.1 | N309 F312 R322 Y386 Q420 A421 | N309-S378 PolarHBondContact ND2-OG 2.94Å; F312-S378 WeakPolarHBondContact CZ-OG 3.3Å; R322-S378 VanDerWaalsContact CD-C 3.48Å; R322-S378 PolarHBondContact NE-O 3.08Å; R322-S378 VanDerWaalsContact NH2-N 3.13Å; R322-S378 PolarHBondContact NH2-O 3.34Å; S378-Y386 PolarHBondContact OG-O 3.28Å; S378-Q420 PolarHBondContact N-O 3.16Å; S378-Q420 VanDerWaalsContact N-O 3.11Å; S378-A421 WeakPolarHBondContact O-CA 3.34Å; S378-A421 WeakPolarHBondContact O-CB 3.37Å |
| 379 | H | 85.3 | Confident | 91.5 | Very high | 37 Ų | 37 | 16.5 Ų | 16.5 | 17% | 0.171 | 9% | 0.091 | C | C | . | . | trans | -73 | 161.8 | 157.8 | -74.1 | -63.3 | 0 | 0 | 0 | 109 | F312 L319 N320 R322 V385 Y386 | F312-H379 AromaticContact CD1-CD2 3.92Å; F312-H379 AromaticContact CD2-CD2 3.69Å; F312-H379 HydrophobicContact CE1-CB 4.39Å; F312-H379 AromaticContact CE1-CD2 3.84Å; F312-H379 AromaticContact CE2-CD2 3.65Å; F312-H379 AromaticContact CG-CD2 3.84Å; F312-H379 HydrophobicContact CZ-CB 4.41Å; F312-H379 AromaticContact CZ-CD2 3.71Å; L319-H379 HydrophobicContact CD1-CB 4.01Å; N320-H379 PolarHBondContact O-NE2 2.98Å; R322-H379 WeakPolarHBondContact CG-NE2 3.07Å; H379-V385 WeakPolarHBondContact O-CA 3.33Å; H379-Y386 HydrophobicContact CB-CD2 3.9Å; H379-Y386 PolarHBondContact O-N 3.35Å | ||
| 380 | G | 82.1 | Confident | 91.1 | Very high | 11 Ų | 11 | 15.7 Ų | 15.7 | 11% | 0.113 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.4 | 176.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G384 C422 | G380-G384 WeakPolarHBondContact CA-O 3.43Å; G380-C422 CarbonylContact C-O 3.51Å; G380-C422 WeakPolarHBondContact CA-O 3.48Å |
| 381 | M | 77.8 | Confident | 90.9 | Very high | 86 Ų | 86 | 18.6 Ų | 18.6 | 42% | 0.424 | 10% | 0.103 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 178 | 168 | 62.7 | 176.7 | -60.3 | 0 | 0 | 107 | G383 G384 Y386 F392 C422 Q423 | M381-G383 PolarHBondContact O-N 3Å; M381-G383 VanDerWaalsContact O-N 3.17Å; M381-G384 PolarHBondContact N-O 3.15Å; M381-G384 PolarHBondContact O-N 2.87Å; M381-G384 VanDerWaalsContact O-N 3.1Å; M381-Y386 HydrophobicContact CB-CE2 4.47Å; M381-Y386 HydrophobicContact CG-CE2 4.39Å; M381-Y386 PolarHBondContact SD-OH 2.74Å; M381-F392 HydrophobicContact CG-CD2 3.82Å; M381-F392 HydrophobicContact CG-CE2 3.25Å; M381-F392 HydrophobicContact CG-CZ 3.93Å; M381-F392 HydrophobicContact SD-CD2 4.13Å; M381-F392 HydrophobicContact SD-CE2 3.99Å; M381-F392 HydrophobicContact SD-CZ 4.46Å; M381-C422 PolarHBondContact N-O 2.85Å; M381-Q423 PolarHBondContact O-NE2 3.39Å; M381-Q423 PolarHBondContact O-OE1 3.37Å |
| 382 | E | 75.4 | Confident | 90.6 | Very high | 65 Ų | 65 | 22 Ų | 22 | 30% | 0.304 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49 | 124 | -177.8 | -159.1 | -156.3 | 133 | 0 | 0 | 112.5 | G384 Q423 A447 K448 P468 | E382-G384 VanDerWaalsContact C-N 3.35Å; E382-G384 PolarHBondContact O-N 2.84Å; E382-Q423 WeakPolarHBondContact CA-O 3.33Å; E382-Q423 WeakPolarHBondContact CB-O 3.22Å; E382-Q423 PolarHBondContact N-O 2.86Å; E382-A447 WeakPolarHBondContact OE1-CA 3.48Å; E382-K448 PolarHBondContact OE1-N 3.3Å; E382-P468 HydrophobicContact CG-CB 4.41Å |
| 383 | G | 76.1 | Confident | 90.2 | Very high | 26 Ų | 26 | 22 Ų | 22 | 27% | 0.268 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | -0.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | M381 I395 Q423 | M381-G383 PolarHBondContact O-N 3Å; M381-G383 VanDerWaalsContact O-N 3.17Å; G383-I395 PolarHBondContact O-N 3.31Å; G383-Q423 VanDerWaalsContact N-OE1 3.09Å |
| 384 | G | 85.6 | Confident | 89.8 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | -177.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | G380 M381 E382 F392 V393 | G380-G384 WeakPolarHBondContact CA-O 3.43Å; M381-G384 PolarHBondContact N-O 3.15Å; M381-G384 PolarHBondContact O-N 2.87Å; M381-G384 VanDerWaalsContact O-N 3.1Å; E382-G384 VanDerWaalsContact C-N 3.35Å; E382-G384 PolarHBondContact O-N 2.84Å; G384-F392 VanDerWaalsContact C-CE2 3.49Å; G384-V393 CarbonylContact C-O 3.4Å; G384-V393 WeakPolarHBondContact CA-O 3.49Å |
| 385 | V | 91.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 156.9 | -179.9 | -62.1 | 0 | 0 | 0 | 0 | 110.2 | I376 H379 V393 I419 A421 | I376-V385 HydrophobicContact CG2-CB 4.42Å; I376-V385 HydrophobicContact CG2-CG1 4.14Å; I376-V385 HydrophobicContact CG2-CG2 4.26Å; H379-V385 WeakPolarHBondContact O-CA 3.33Å; V385-V393 HydrophobicContact CG2-CB 4.13Å; V385-V393 PolarHBondContact N-O 3.02Å; V385-V393 PolarHBondContact O-N 2.92Å; V385-I419 HydrophobicContact CG1-CG2 3.88Å; V385-A421 HydrophobicContact CG1-CB 3.91Å |
| 386 | Y | 92.4 | Very high | 88.9 | Confident | 20 Ų | 20 | 31.7 Ų | 31.7 | 8% | 0.078 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 142.9 | 172.7 | -66.9 | -62.4 | 0 | 0 | 0 | 111.7 | N309 Q317 L319 S378 H379 M381 G390 N391 F392 | N309-Y386 PolarHBondContact ND2-O 2.91Å; Q317-Y386 PolarHBondContact OE1-OH 2.89Å; L319-Y386 HydrophobicContact CD1-CD2 3.77Å; L319-Y386 HydrophobicContact CD1-CE2 4.44Å; L319-Y386 HydrophobicContact CD1-CG 3.9Å; S378-Y386 PolarHBondContact OG-O 3.28Å; H379-Y386 HydrophobicContact CB-CD2 3.9Å; H379-Y386 PolarHBondContact O-N 3.35Å; M381-Y386 HydrophobicContact CB-CE2 4.47Å; M381-Y386 HydrophobicContact CG-CE2 4.39Å; M381-Y386 PolarHBondContact SD-OH 2.74Å; Y386-G390 VanDerWaalsContact CD1-O 3.31Å; Y386-G390 WeakPolarHBondContact CD1-O 3.3Å; Y386-N391 WeakPolarHBondContact CA-O 3.3Å; Y386-F392 HydrophobicContact CD1-CB 4.13Å; Y386-F392 HydrophobicContact CD1-CD2 4.08Å; Y386-F392 HydrophobicContact CE1-CB 3.83Å; Y386-F392 AromaticContact CE1-CD2 3.65Å; Y386-F392 HydrophobicContact CE1-CD2 3.65Å; Y386-F392 HydrophobicContact CE1-CG 4.2Å |
| 387 | G | 95.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -73.7 | 166.1 | 157.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | F312 R349 D389 G390 N391 | F312-G387 VanDerWaalsContact CE1-O 3.3Å; F312-G387 WeakPolarHBondContact CE1-O 3.42Å; R349-G387 WeakPolarHBondContact O-CA 3.23Å; G387-D389 WeakPolarHBondContact CA-OD1 3.45Å; G387-D389 PolarHBondContact O-N 3.49Å; G387-D389 VanDerWaalsContact O-N 3.14Å; G387-G390 WeakPolarHBondContact O-CA 3.19Å; G387-G390 PolarHBondContact O-N 2.95Å; G387-N391 PolarHBondContact N-O 3.35Å | ||
| 388 | V | 94.9 | Very high | 88.5 | Confident | 22 Ų | 22 | 34.7 Ų | 34.7 | 13% | 0.133 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -21.6 | 176.3 | -66.5 | 0 | 0 | 0 | 0 | 114.1 | N309 D311 F312 D348 R349 N350 G390 | N309-V388 HydrophobicContact CB-CG1 3.87Å; D311-V388 VanDerWaalsContact O-CB 3.26Å; D311-V388 WeakPolarHBondContact O-CB 3.44Å; D311-V388 WeakPolarHBondContact O-CG1 3.25Å; F312-V388 HydrophobicContact CZ-CG1 4.39Å; D348-V388 HydrophobicContact CB-CG1 3.87Å; D348-V388 WeakPolarHBondContact O-CG2 3.41Å; R349-V388 PolarHBondContact O-N 3.46Å; R349-V388 VanDerWaalsContact O-N 3.1Å; N350-V388 HydrophobicContact CB-CG2 4.28Å; V388-G390 PolarHBondContact O-N 3.11Å |
| 389 | D | 94.2 | Very high | 88.5 | Confident | 37 Ų | 37 | 34.7 Ų | 34.7 | 20% | 0.198 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -5.6 | 171.9 | 59.4 | -20.9 | 0 | 0 | 0 | 113.4 | C316 N350 A351 G387 N391 | C316-D389 PolarHBondContact N-O 3.04Å; C316-D389 PolarHBondContact SG-O 3.48Å; N350-D389 HydrophobicContact CB-CB 4.03Å; A351-D389 PolarHBondContact N-OD1 3.28Å; G387-D389 WeakPolarHBondContact CA-OD1 3.45Å; G387-D389 PolarHBondContact O-N 3.49Å; G387-D389 VanDerWaalsContact O-N 3.14Å; D389-N391 PolarHBondContact O-N 2.71Å; D389-N391 PolarHBondContact OD1-N 2.99Å; D389-N391 WeakPolarHBondContact OD2-CB 3.21Å; D389-N391 PolarHBondContact OD2-ND2 2.71Å |
| 390 | G | 88.8 | Confident | 88.8 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 79.1 | 1.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S315 Q317 Y386 G387 V388 | S315-G390 WeakPolarHBondContact OG-CA 3.45Å; Q317-G390 PolarHBondContact NE2-O 2.92Å; Y386-G390 VanDerWaalsContact CD1-O 3.31Å; Y386-G390 WeakPolarHBondContact CD1-O 3.3Å; G387-G390 WeakPolarHBondContact O-CA 3.19Å; G387-G390 PolarHBondContact O-N 2.95Å; V388-G390 PolarHBondContact O-N 3.11Å |
| 391 | N | 93.6 | Very high | 89.3 | Confident | 82 Ų | 82 | 36 Ų | 36 | 44% | 0.439 | 18% | 0.182 | S | C | . | . | trans | -80.4 | 143 | 178.6 | -71.7 | -44.8 | 0 | 0 | 0 | 111 | A351 Y386 G387 D389 | A351-N391 HydrophobicContact CB-CB 3.5Å; A351-N391 VanDerWaalsContact CB-CB 3.5Å; Y386-N391 WeakPolarHBondContact CA-O 3.3Å; G387-N391 PolarHBondContact N-O 3.35Å; D389-N391 PolarHBondContact O-N 2.71Å; D389-N391 PolarHBondContact OD1-N 2.99Å; D389-N391 WeakPolarHBondContact OD2-CB 3.21Å; D389-N391 PolarHBondContact OD2-ND2 2.71Å | ||
| 392 | F | 91.4 | Very high | 90 | Very high | 70 Ų | 70 | 32 Ų | 32 | 31% | 0.307 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 142.2 | -175.3 | -171.7 | -113.5 | 0 | 0 | 0 | 112.6 | M381 G384 Y386 E394 | M381-F392 HydrophobicContact CG-CD2 3.82Å; M381-F392 HydrophobicContact CG-CE2 3.25Å; M381-F392 HydrophobicContact CG-CZ 3.93Å; M381-F392 HydrophobicContact SD-CD2 4.13Å; M381-F392 HydrophobicContact SD-CE2 3.99Å; M381-F392 HydrophobicContact SD-CZ 4.46Å; G384-F392 VanDerWaalsContact C-CE2 3.49Å; Y386-F392 HydrophobicContact CD1-CB 4.13Å; Y386-F392 HydrophobicContact CD1-CD2 4.08Å; Y386-F392 HydrophobicContact CE1-CB 3.83Å; Y386-F392 AromaticContact CE1-CD2 3.65Å; Y386-F392 HydrophobicContact CE1-CD2 3.65Å; Y386-F392 HydrophobicContact CE1-CG 4.2Å; F392-E394 HydrophobicContact CD1-CG 4.2Å; F392-E394 HydrophobicContact CE1-CG 3.68Å |
| 393 | V | 90.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 113 | 175.2 | -174.9 | 0 | 0 | 0 | 0 | 108.9 | A351 I354 K355 G384 V385 I395 L398 | A351-V393 HydrophobicContact CB-CG2 3.48Å; A351-V393 VanDerWaalsContact CB-CG2 3.48Å; I354-V393 HydrophobicContact CG2-CG1 4.44Å; K355-V393 HydrophobicContact CG-CG1 3.91Å; G384-V393 CarbonylContact C-O 3.4Å; G384-V393 WeakPolarHBondContact CA-O 3.49Å; V385-V393 HydrophobicContact CG2-CB 4.13Å; V385-V393 PolarHBondContact N-O 3.02Å; V385-V393 PolarHBondContact O-N 2.92Å; V393-I395 PolarHBondContact O-N 3.45Å; V393-L398 HydrophobicContact CG1-CD1 3.99Å; V393-L398 HydrophobicContact CG1-CD2 3.72Å; V393-L398 HydrophobicContact CG1-CG 3.88Å |
| 394 | E | 89.6 | Confident | 91.1 | Very high | 94 Ų | 94 | 29 Ų | 29 | 44% | 0.439 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 129 | 174.2 | -70.2 | 177.4 | -130 | 0 | 0 | 110.9 | F392 K396 L397 L398 | F392-E394 HydrophobicContact CD1-CG 4.2Å; F392-E394 HydrophobicContact CE1-CG 3.68Å; E394-K396 PolarHBondContact O-N 3.25Å; E394-L397 HydrophobicContact CB-CB 4.47Å; E394-L397 HydrophobicContact CB-CD1 4.09Å; E394-L397 HydrophobicContact CB-CG 4.01Å; E394-L397 PolarHBondContact O-N 3.39Å; E394-L397 VanDerWaalsContact O-N 3.16Å; E394-L398 PolarHBondContact O-N 3.43Å |
| 395 | I | 90 | Very high | 91.2 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.015 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.9 | -34.5 | 176.8 | -73.7 | 157.8 | 0 | 0 | 0 | 110.7 | G383 V393 L397 L398 I399 I419 V450 M464 | G383-I395 PolarHBondContact O-N 3.31Å; V393-I395 PolarHBondContact O-N 3.45Å; I395-L397 VanDerWaalsContact C-N 3.3Å; I395-L397 PolarHBondContact O-N 3.46Å; I395-L398 WeakPolarHBondContact O-CB 3.46Å; I395-L398 PolarHBondContact O-N 3.36Å; I395-L398 VanDerWaalsContact O-N 3.1Å; I395-I399 HydrophobicContact CG2-CD1 3.67Å; I395-I399 HydrophobicContact CG2-CG1 4.27Å; I395-I399 WeakPolarHBondContact O-CG1 3.47Å; I395-I399 PolarHBondContact O-N 3.38Å; I395-I419 HydrophobicContact CB-CD1 4.49Å; I395-I419 HydrophobicContact CD1-CD1 3.59Å; I395-I419 HydrophobicContact CD1-CG2 4.42Å; I395-I419 HydrophobicContact CG1-CD1 3.72Å; I395-I419 HydrophobicContact CG2-CD1 3.9Å; I395-V450 HydrophobicContact CG2-CG2 4.16Å; I395-M464 HydrophobicContact CD1-CE 3.79Å; I395-M464 HydrophobicContact CD1-SD 4.24Å |
| 396 | K | 88.3 | Confident | 91.2 | Very high | 110 Ų | 110 | 41.4 Ų | 41.4 | 48% | 0.478 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -55.6 | -44.4 | 176.5 | -173.5 | -175.4 | 174 | -170 | 0 | 112 | E394 L398 I399 E400 | E394-K396 PolarHBondContact O-N 3.25Å; K396-L398 VanDerWaalsContact C-N 3.29Å; K396-L398 PolarHBondContact O-N 3.1Å; K396-I399 PolarHBondContact O-N 3.31Å; K396-E400 WeakPolarHBondContact CE-OE1 3.4Å; K396-E400 WeakPolarHBondContact O-CG 3.47Å; K396-E400 PolarHBondContact O-N 3.49Å |
| 397 | L | 89.3 | Confident | 91.2 | Very high | 62 Ų | 62 | 40.5 Ų | 40.5 | 33% | 0.325 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.5 | -34.1 | 179.3 | -65.2 | 176.9 | 0 | 0 | 0 | 112 | E394 I395 C401 | E394-L397 HydrophobicContact CB-CB 4.47Å; E394-L397 HydrophobicContact CB-CD1 4.09Å; E394-L397 HydrophobicContact CB-CG 4.01Å; E394-L397 PolarHBondContact O-N 3.39Å; E394-L397 VanDerWaalsContact O-N 3.16Å; I395-L397 VanDerWaalsContact C-N 3.3Å; I395-L397 PolarHBondContact O-N 3.46Å; L397-C401 PolarHBondContact O-N 3.47Å; L397-C401 PolarHBondContact O-SG 2.94Å |
| 398 | L | 94 | Very high | 91.1 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.4 | -42.4 | 175.4 | -57.9 | -177.5 | 0 | 0 | 0 | 111.4 | I354 K355 F358 I376 V393 E394 I395 K396 E400 C401 | I354-L398 HydrophobicContact CG2-CD1 4.08Å; I354-L398 HydrophobicContact CG2-CD2 4.1Å; K355-L398 HydrophobicContact CG-CD2 4.33Å; F358-L398 HydrophobicContact CB-CD2 3.97Å; F358-L398 HydrophobicContact CD1-CB 3.71Å; F358-L398 HydrophobicContact CD1-CD2 4.46Å; F358-L398 WeakPolarHBondContact CD1-O 3.46Å; F358-L398 HydrophobicContact CD2-CB 4.35Å; F358-L398 HydrophobicContact CD2-CD1 4.23Å; F358-L398 HydrophobicContact CD2-CD2 3.81Å; F358-L398 HydrophobicContact CD2-CG 4.35Å; F358-L398 HydrophobicContact CE1-CB 3.87Å; F358-L398 HydrophobicContact CE2-CB 4.49Å; F358-L398 HydrophobicContact CE2-CD1 4Å; F358-L398 HydrophobicContact CE2-CD2 4.43Å; F358-L398 HydrophobicContact CG-CB 3.95Å; F358-L398 HydrophobicContact CG-CD2 3.82Å; F358-L398 HydrophobicContact CG-CG 4.34Å; F358-L398 HydrophobicContact CZ-CB 4.26Å; F358-L398 HydrophobicContact CZ-CD1 4.23Å; I376-L398 HydrophobicContact CD1-CD1 3.68Å; V393-L398 HydrophobicContact CG1-CD1 3.99Å; V393-L398 HydrophobicContact CG1-CD2 3.72Å; V393-L398 HydrophobicContact CG1-CG 3.88Å; E394-L398 PolarHBondContact O-N 3.43Å; I395-L398 WeakPolarHBondContact O-CB 3.46Å; I395-L398 PolarHBondContact O-N 3.36Å; I395-L398 VanDerWaalsContact O-N 3.1Å; K396-L398 VanDerWaalsContact C-N 3.29Å; K396-L398 PolarHBondContact O-N 3.1Å; L398-E400 VanDerWaalsContact C-N 3.33Å; L398-E400 PolarHBondContact O-N 3.4Å; L398-C401 WeakPolarHBondContact O-CB 3.42Å; L398-C401 PolarHBondContact O-N 3.48Å |
| 399 | I | 92.1 | Very high | 91.2 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.8 | -40.9 | 175.6 | -70.5 | 164.1 | 0 | 0 | 0 | 111.1 | I395 K396 C401 I402 N403 L417 V450 I457 L460 V462 | I395-I399 HydrophobicContact CG2-CD1 3.67Å; I395-I399 HydrophobicContact CG2-CG1 4.27Å; I395-I399 WeakPolarHBondContact O-CG1 3.47Å; I395-I399 PolarHBondContact O-N 3.38Å; K396-I399 PolarHBondContact O-N 3.31Å; I399-C401 PolarHBondContact O-N 3.24Å; I399-I402 VanDerWaalsContact O-CG1 3.28Å; I399-I402 WeakPolarHBondContact O-CG1 3.43Å; I399-I402 PolarHBondContact O-N 2.87Å; I399-N403 PolarHBondContact O-N 3.29Å; I399-L417 HydrophobicContact CD1-CD2 4.38Å; I399-L417 HydrophobicContact CG1-CD2 3.68Å; I399-V450 HydrophobicContact CD1-CG1 3.8Å; I399-V450 HydrophobicContact CD1-CG2 4.09Å; I399-I457 HydrophobicContact CG2-CD1 4.48Å; I399-I457 HydrophobicContact CG2-CG2 3.66Å; I399-L460 HydrophobicContact CB-CD2 4.46Å; I399-L460 HydrophobicContact CD1-CD2 3.77Å; I399-L460 HydrophobicContact CG1-CD2 3.99Å; I399-L460 HydrophobicContact CG2-CD2 3.61Å; I399-V462 HydrophobicContact CD1-CG2 4.03Å |
| 400 | E | 91.1 | Very high | 91.3 | Very high | 54 Ų | 54 | 42.9 Ų | 42.9 | 25% | 0.252 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -58.6 | -30.3 | 177.3 | -76.1 | 174.1 | -165.9 | 0 | 0 | 112.7 | K396 L398 I402 N403 K406 | K396-E400 WeakPolarHBondContact CE-OE1 3.4Å; K396-E400 WeakPolarHBondContact O-CG 3.47Å; K396-E400 PolarHBondContact O-N 3.49Å; L398-E400 VanDerWaalsContact C-N 3.33Å; L398-E400 PolarHBondContact O-N 3.4Å; E400-I402 VanDerWaalsContact C-N 3.25Å; E400-I402 PolarHBondContact O-N 3.37Å; E400-N403 VanDerWaalsContact O-CG 3.27Å; E400-N403 PolarHBondContact O-ND2 3.44Å; E400-N403 PolarHBondContact O-OD1 2.96Å; E400-K406 WeakPolarHBondContact O-CD 3.3Å; E400-K406 WeakPolarHBondContact O-CG 3.46Å; E400-K406 IonicContact OE2-NZ 3.79Å |
| 401 | C | 92.6 | Very high | 91.5 | Very high | 22 Ų | 22 | 47.2 Ų | 47.2 | 15% | 0.149 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.3 | -25.3 | 176.6 | -68 | 0 | 0 | 0 | 0 | 113.6 | F358 G362 L397 L398 I399 | F358-C401 HydrophobicContact CB-CB 4.11Å; G362-C401 WeakPolarHBondContact CA-O 3.36Å; L397-C401 PolarHBondContact O-N 3.47Å; L397-C401 PolarHBondContact O-SG 2.94Å; L398-C401 WeakPolarHBondContact O-CB 3.42Å; L398-C401 PolarHBondContact O-N 3.48Å; I399-C401 PolarHBondContact O-N 3.24Å |
| 402 | I | 92.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.5 | 13.8 | -173 | 61.1 | 166.5 | 0 | 0 | 0 | 112.5 | F358 I361 L372 I399 E400 L410 K415 L417 | F358-I402 HydrophobicContact CD1-CG2 4.43Å; I361-I402 HydrophobicContact CG2-CG2 4.45Å; L372-I402 HydrophobicContact CD2-CB 4.07Å; L372-I402 HydrophobicContact CD2-CD1 4.01Å; L372-I402 HydrophobicContact CD2-CG2 3.85Å; I399-I402 VanDerWaalsContact O-CG1 3.28Å; I399-I402 WeakPolarHBondContact O-CG1 3.43Å; I399-I402 PolarHBondContact O-N 2.87Å; E400-I402 VanDerWaalsContact C-N 3.25Å; E400-I402 PolarHBondContact O-N 3.37Å; I402-L410 HydrophobicContact CB-CD1 4.27Å; I402-K415 HydrophobicContact CD1-CB 4.43Å; I402-K415 WeakPolarHBondContact O-CD 3.24Å; I402-L417 HydrophobicContact CD1-CD1 3.67Å |
| 403 | N | 88.9 | Confident | 91.7 | Very high | 10 Ų | 10 | 46.8 Ų | 46.8 | 5% | 0.053 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -75.7 | 172.7 | 178 | 76.2 | 9.7 | 0 | 0 | 0 | 111.4 | I399 E400 E405 K406 C407 V456 | I399-N403 PolarHBondContact O-N 3.29Å; E400-N403 VanDerWaalsContact O-CG 3.27Å; E400-N403 PolarHBondContact O-ND2 3.44Å; E400-N403 PolarHBondContact O-OD1 2.96Å; N403-E405 PolarHBondContact O-N 2.99Å; N403-E405 PolarHBondContact OD1-N 3.28Å; N403-E405 VanDerWaalsContact OD1-N 3.09Å; N403-K406 PolarHBondContact O-N 3.32Å; N403-K406 PolarHBondContact OD1-N 3.34Å; N403-C407 CarbonylContact O-C 3.52Å; N403-C407 WeakPolarHBondContact O-CA 3.34Å; N403-C407 PolarHBondContact O-N 3.06Å; N403-V456 HydrophobicContact CB-CG1 4.25Å; N403-V456 WeakPolarHBondContact ND2-CG1 3.3Å |
| 404 | G | 85.9 | Confident | 92 | Very high | 20 Ų | 20 | 46.8 Ų | 46.8 | 21% | 0.206 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -21.4 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | P408 | G404-P408 WeakPolarHBondContact O-CA 3.5Š|
| 405 | E | 87.8 | Confident | 92.3 | Very high | 148 Ų | 148 | 42.6 Ų | 42.6 | 69% | 0.692 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -49.1 | 178.8 | -174.7 | -178 | 179 | 0 | 0 | 111.5 | N403 V456 | N403-E405 PolarHBondContact O-N 2.99Å; N403-E405 PolarHBondContact OD1-N 3.28Å; N403-E405 VanDerWaalsContact OD1-N 3.09Å; E405-V456 HydrophobicContact CB-CG1 4.16Å |
| 406 | K | 90.2 | Very high | 92.7 | Very high | 111 Ų | 111 | 42.4 Ų | 42.4 | 48% | 0.483 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -24.9 | -179 | -61.3 | -162.2 | -163 | 162.9 | 0 | 113 | E400 N403 | E400-K406 WeakPolarHBondContact O-CD 3.3Å; E400-K406 WeakPolarHBondContact O-CG 3.46Å; E400-K406 IonicContact OE2-NZ 3.79Å; N403-K406 PolarHBondContact O-N 3.32Å; N403-K406 PolarHBondContact OD1-N 3.34Å |
| 407 | C | 93.9 | Very high | 93.1 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.014 | 19% | 0.193 | C | C | . | . | trans | -131.5 | 78.5 | 176.1 | -165.6 | 0 | 0 | 0 | 0 | 111.6 | G362 N403 S409 L410 | G362-C407 VanDerWaalsContact O-CB 3.3Å; G362-C407 WeakPolarHBondContact O-CB 3.43Å; G362-C407 PolarHBondContact O-SG 3.26Å; N403-C407 CarbonylContact O-C 3.52Å; N403-C407 WeakPolarHBondContact O-CA 3.34Å; N403-C407 PolarHBondContact O-N 3.06Å; C407-S409 PolarHBondContact O-N 3.41Å; C407-S409 VanDerWaalsContact O-N 3.12Å; C407-L410 HydrophobicContact CB-CB 4.45Å; C407-L410 HydrophobicContact CB-CD1 4.05Å; C407-L410 HydrophobicContact CB-CG 4.45Å; C407-L410 PolarHBondContact O-N 3.12Å; C407-L410 VanDerWaalsContact SG-CD1 3.53Å | ||
| 408 | P | 94.1 | Very high | 93.4 | Very high | 85 Ų | 85 | 34.3 Ų | 34.3 | 55% | 0.552 | 18% | 0.178 | S | C | * | . | G | 310 helix | trans | -58.6 | -27.7 | -178.4 | -27.5 | 36 | 0 | 0 | 0 | 114.6 | G404 L410 I411 | G404-P408 WeakPolarHBondContact O-CA 3.5Å; P408-L410 PolarHBondContact O-N 3.41Å; P408-I411 HydrophobicContact CB-CD1 4.14Å; P408-I411 WeakPolarHBondContact O-CB 3.5Å; P408-I411 WeakPolarHBondContact O-CD1 3.23Å; P408-I411 VanDerWaalsContact O-CG1 3.29Å; P408-I411 WeakPolarHBondContact O-CG1 3.47Å; P408-I411 PolarHBondContact O-N 3.31Å |
| 409 | S | 96.6 | Very high | 93.3 | Very high | 23 Ų | 23 | 34.3 Ų | 34.3 | 16% | 0.161 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -69.3 | -8.1 | 178.6 | 67.6 | 0 | 0 | 0 | 0 | 114.3 | H366 C407 K413 | H366-S409 WeakPolarHBondContact CB-OG 3.47Å; H366-S409 PolarHBondContact N-OG 2.59Å; C407-S409 PolarHBondContact O-N 3.41Å; C407-S409 VanDerWaalsContact O-N 3.12Å; S409-K413 WeakPolarHBondContact O-CD 3.37Å; S409-K413 PolarHBondContact O-NZ 2.74Å |
| 410 | L | 95.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -104.2 | 3.9 | 174.4 | -72.2 | 175.2 | 0 | 0 | 0 | 114.4 | H366 L372 I402 C407 P408 E412 K413 K415 | H366-L410 HydrophobicContact CB-CD2 3.53Å; H366-L410 HydrophobicContact CB-CG 3.83Å; L372-L410 HydrophobicContact CB-CD1 4.42Å; L372-L410 HydrophobicContact CB-CD2 4.03Å; L372-L410 HydrophobicContact CD2-CD1 3.73Å; I402-L410 HydrophobicContact CB-CD1 4.27Å; C407-L410 HydrophobicContact CB-CB 4.45Å; C407-L410 HydrophobicContact CB-CD1 4.05Å; C407-L410 HydrophobicContact CB-CG 4.45Å; C407-L410 PolarHBondContact O-N 3.12Å; C407-L410 VanDerWaalsContact SG-CD1 3.53Å; P408-L410 PolarHBondContact O-N 3.41Å; L410-E412 PolarHBondContact O-N 3.43Å; L410-K413 PolarHBondContact O-N 3.01Å; L410-K415 HydrophobicContact CB-CD 4.32Å; L410-K415 HydrophobicContact CD1-CG 4.41Å; L410-K415 PolarHBondContact O-NZ 3.26Å |
| 411 | I | 93.4 | Very high | 92.8 | Very high | 92 Ų | 92 | 31.7 Ų | 31.7 | 47% | 0.472 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 136.7 | 173.6 | -63.1 | 169.3 | 0 | 0 | 0 | 108.9 | P408 K413 | P408-I411 HydrophobicContact CB-CD1 4.14Å; P408-I411 WeakPolarHBondContact O-CB 3.5Å; P408-I411 WeakPolarHBondContact O-CD1 3.23Å; P408-I411 VanDerWaalsContact O-CG1 3.29Å; P408-I411 WeakPolarHBondContact O-CG1 3.47Å; P408-I411 PolarHBondContact O-N 3.31Å; I411-K413 PolarHBondContact O-N 2.54Å |
| 412 | E | 92.8 | Very high | 91.8 | Very high | 104 Ų | 104 | 32 Ų | 32 | 49% | 0.486 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | 11 | -177.4 | -40 | -145.6 | 122.3 | 0 | 0 | 116.4 | Y295 L410 D459 R532 | Y295-E412 WeakPolarHBondContact CD1-O 3.39Å; Y295-E412 VanDerWaalsContact CE1-O 3.28Å; Y295-E412 WeakPolarHBondContact CE1-O 3.34Å; L410-E412 PolarHBondContact O-N 3.43Å; E412-D459 WeakPolarHBondContact CA-OD2 3.47Å; E412-D459 PolarHBondContact N-OD2 2.99Å; E412-R532 IonicContact OE1-NH1 3.43Å; E412-R532 IonicContact OE1-NH2 3.54Å; E412-R532 PolarHBondContact OE1-NH2 2.91Å |
| 413 | K | 95.9 | Very high | 90.1 | Very high | 38 Ų | 38 | 32.4 Ų | 32.4 | 17% | 0.165 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -112.5 | 138.4 | 178.7 | -66.8 | 174.1 | 179.8 | -179.2 | 0 | 110.9 | H366 S367 N369 D370 S409 L410 I411 K415 D459 | H366-K413 PolarHBondContact O-NZ 3.4Å; S367-K413 VanDerWaalsContact C-NZ 3.29Å; S367-K413 PolarHBondContact O-NZ 3.07Å; N369-K413 WeakPolarHBondContact O-CD 3.19Å; N369-K413 WeakPolarHBondContact O-CE 3.47Å; N369-K413 PolarHBondContact O-NZ 3.46Å; D370-K413 WeakPolarHBondContact O-CB 3.4Å; S409-K413 WeakPolarHBondContact O-CD 3.37Å; S409-K413 PolarHBondContact O-NZ 2.74Å; L410-K413 PolarHBondContact O-N 3.01Å; I411-K413 PolarHBondContact O-N 2.54Å; K413-K415 PolarHBondContact O-N 2.79Å; K413-K415 PolarHBondContact O-NZ 2.93Å; K413-D459 WeakPolarHBondContact O-CB 3.48Å |
| 414 | P | 96.9 | Very high | 88.5 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | trans | -65.7 | 128.5 | 179.8 | 25.9 | -31.9 | 0 | 0 | 0 | 110.9 | Y295 M297 D370 S371 L372 M416 D459 L531 V535 | Y295-P414 HydrophobicContact CD1-CG 4.4Å; Y295-P414 HydrophobicContact CD2-CB 4.25Å; Y295-P414 HydrophobicContact CD2-CG 4.16Å; Y295-P414 HydrophobicContact CE2-CB 4.27Å; Y295-P414 HydrophobicContact CG-CG 4.04Å; M297-P414 HydrophobicContact SD-CG 4.16Å; D370-P414 WeakPolarHBondContact O-CD 3.4Å; S371-P414 WeakPolarHBondContact CA-O 3.43Å; S371-P414 WeakPolarHBondContact CB-O 3.46Å; L372-P414 PolarHBondContact N-O 3.29Å; L372-P414 VanDerWaalsContact N-O 3.08Å; P414-M416 HydrophobicContact CB-CE 4.46Å; P414-D459 CarbonylContact C-O 3.58Å; P414-D459 WeakPolarHBondContact CA-O 3.44Å; P414-L531 HydrophobicContact CB-CD2 4.04Å; P414-V535 HydrophobicContact CB-CG2 3.69Å; P414-V535 HydrophobicContact CG-CG2 4.1Å | ||
| 415 | K | 96.9 | Very high | 86.4 | Confident | 5 Ų | 5 | 37.6 Ų | 37.6 | 2% | 0.022 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 118.3 | 173.1 | -65.9 | 155.6 | -73.4 | -72.9 | 0 | 107 | I402 L410 K413 A458 D459 L460 L461 | I402-K415 HydrophobicContact CD1-CB 4.43Å; I402-K415 WeakPolarHBondContact O-CD 3.24Å; L410-K415 HydrophobicContact CB-CD 4.32Å; L410-K415 HydrophobicContact CD1-CG 4.41Å; L410-K415 PolarHBondContact O-NZ 3.26Å; K413-K415 PolarHBondContact O-N 2.79Å; K413-K415 PolarHBondContact O-NZ 2.93Å; K415-A458 WeakPolarHBondContact CE-O 3.39Å; K415-A458 PolarHBondContact NZ-O 3.27Å; K415-A458 VanDerWaalsContact NZ-O 3.17Å; K415-D459 WeakPolarHBondContact CE-O 3.49Å; K415-D459 PolarHBondContact N-O 3.48Å; K415-L460 HydrophobicContact CB-CD1 3.74Å; K415-L460 CarbonylContact O-C 3.12Å; K415-L460 WeakPolarHBondContact O-CA 3.28Å; K415-L460 WeakPolarHBondContact O-CD1 3.38Å; K415-L461 PolarHBondContact O-N 3.16Å |
| 416 | M | 97.3 | Very high | 83.9 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 113.9 | -169.5 | -65 | 172.8 | -81.5 | 0 | 0 | 110.2 | Y341 L372 V373 C374 P414 F418 L461 L500 V535 F537 | Y341-M416 WeakPolarHBondContact OH-CE 3.25Å; L372-M416 PolarHBondContact O-N 3.32Å; V373-M416 CarbonylContact C-O 3.57Å; V373-M416 VanDerWaalsContact CA-O 3.3Å; V373-M416 WeakPolarHBondContact CA-O 3.45Å; V373-M416 HydrophobicContact CG2-CB 4.23Å; V373-M416 HydrophobicContact CG2-CE 3.74Å; C374-M416 PolarHBondContact N-O 3.04Å; P414-M416 HydrophobicContact CB-CE 4.46Å; M416-F418 HydrophobicContact CB-CE2 4.04Å; M416-F418 HydrophobicContact CB-CZ 4.26Å; M416-L461 CarbonylContact C-O 3.58Å; M416-L461 WeakPolarHBondContact CA-O 3.39Å; M416-L461 HydrophobicContact CG-CB 4.35Å; M416-L500 HydrophobicContact CG-CD2 4.13Å; M416-L500 HydrophobicContact SD-CD2 3.3Å; M416-L500 WeakPolarHBondContact SD-CD2 3.31Å; M416-V535 HydrophobicContact SD-CG1 4.08Å; M416-F537 HydrophobicContact CE-CE1 4.33Å; M416-F537 HydrophobicContact CE-CZ 4.13Å; M416-F537 HydrophobicContact SD-CZ 4.01Å |
| 417 | L | 96.7 | Very high | 81.5 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 121.2 | 178.7 | -86.4 | 61.7 | 0 | 0 | 0 | 109.3 | F358 C374 I399 I402 L460 L461 V462 G463 | F358-L417 HydrophobicContact CE1-CD2 4.43Å; C374-L417 HydrophobicContact CB-CD1 4.17Å; C374-L417 HydrophobicContact CB-CG 4.1Å; C374-L417 CarbonylContact O-C 3.28Å; C374-L417 VanDerWaalsContact O-CA 3.24Å; C374-L417 WeakPolarHBondContact O-CA 3.35Å; I399-L417 HydrophobicContact CD1-CD2 4.38Å; I399-L417 HydrophobicContact CG1-CD2 3.68Å; I402-L417 HydrophobicContact CD1-CD1 3.67Å; L417-L460 HydrophobicContact CD1-CD1 4.05Å; L417-L461 PolarHBondContact N-O 3.34Å; L417-V462 HydrophobicContact CB-CG1 4.44Å; L417-V462 HydrophobicContact CB-CG2 4.4Å; L417-V462 CarbonylContact O-C 3.54Å; L417-V462 WeakPolarHBondContact O-CA 3.44Å; L417-G463 PolarHBondContact O-N 3.1Å |
| 418 | F | 96.3 | Very high | 79 | Confident | 1 Ų | 1 | 34 Ų | 34 | 0% | 0.004 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 114.4 | 173.9 | -58.9 | -71.1 | 0 | 0 | 0 | 109.3 | F336 V373 C374 C375 I376 M416 L461 L486 L500 L504 | F336-F418 HydrophobicContact CE1-CE2 4.39Å; F336-F418 HydrophobicContact CZ-CD2 4.02Å; F336-F418 AromaticContact CZ-CE2 3.7Å; F336-F418 HydrophobicContact CZ-CE2 3.7Å; V373-F418 HydrophobicContact CG1-CD2 4.06Å; V373-F418 HydrophobicContact CG1-CE2 4.13Å; C374-F418 PolarHBondContact O-N 3.14Å; C375-F418 CarbonylContact C-O 3.58Å; C375-F418 VanDerWaalsContact CA-O 3.26Å; C375-F418 WeakPolarHBondContact CA-O 3.45Å; I376-F418 PolarHBondContact N-O 3.1Å; M416-F418 HydrophobicContact CB-CE2 4.04Å; M416-F418 HydrophobicContact CB-CZ 4.26Å; F418-L461 HydrophobicContact CE1-CD2 3.98Å; F418-L461 HydrophobicContact CZ-CD2 4.37Å; F418-L486 HydrophobicContact CB-CD2 4.24Å; F418-L486 HydrophobicContact CD1-CD2 3.68Å; F418-L486 HydrophobicContact CD2-CD2 4.36Å; F418-L486 HydrophobicContact CE1-CD1 4.25Å; F418-L486 HydrophobicContact CE1-CD2 4.09Å; F418-L486 HydrophobicContact CG-CD2 3.83Å; F418-L500 HydrophobicContact CZ-CD1 4.39Å; F418-L500 HydrophobicContact CZ-CD2 4.28Å; F418-L504 HydrophobicContact CE1-CD1 4.44Å; F418-L504 HydrophobicContact CE1-CD2 4.09Å |
| 419 | I | 92.4 | Very high | 76.4 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 114.2 | -170.1 | -56.9 | 179.3 | 0 | 0 | 0 | 109.4 | V385 I395 A421 V462 G463 M464 S465 | V385-I419 HydrophobicContact CG1-CG2 3.88Å; I395-I419 HydrophobicContact CB-CD1 4.49Å; I395-I419 HydrophobicContact CD1-CD1 3.59Å; I395-I419 HydrophobicContact CD1-CG2 4.42Å; I395-I419 HydrophobicContact CG1-CD1 3.72Å; I395-I419 HydrophobicContact CG2-CD1 3.9Å; I419-A421 HydrophobicContact CG2-CB 4.06Å; I419-V462 HydrophobicContact CD1-CG1 4.19Å; I419-G463 PolarHBondContact N-O 3.32Å; I419-M464 HydrophobicContact CB-CE 4.22Å; I419-M464 HydrophobicContact CB-SD 3.71Å; I419-M464 HydrophobicContact CD1-SD 3.82Å; I419-M464 HydrophobicContact CG1-SD 4.17Å; I419-M464 HydrophobicContact CG2-CE 4.03Å; I419-M464 HydrophobicContact CG2-SD 4.18Å; I419-S465 PolarHBondContact O-N 3.1Å |
| 420 | Q | 89.2 | Confident | 73.4 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 87 | 171.9 | 177.2 | 58.5 | 39.2 | 0 | 0 | 108.9 | R322 I376 L377 S378 S465 S472 T480 I483 | R322-Q420 PolarHBondContact NH2-O 3.25Å; I376-Q420 PolarHBondContact O-N 2.86Å; L377-Q420 HydrophobicContact CD2-CB 3.59Å; L377-Q420 HydrophobicContact CD2-CG 4.22Å; S378-Q420 PolarHBondContact N-O 3.16Å; S378-Q420 VanDerWaalsContact N-O 3.11Å; Q420-S465 PolarHBondContact OE1-OG 3.26Å; Q420-S472 PolarHBondContact NE2-OG 3.16Å; Q420-T480 HydrophobicContact CG-CG2 3.84Å; Q420-T480 PolarHBondContact OE1-OG1 3.48Å; Q420-I483 HydrophobicContact CB-CD1 4.15Å; Q420-I483 HydrophobicContact CB-CG1 3.95Å; Q420-I483 HydrophobicContact CG-CG1 4.14Å |
| 421 | A | 82.8 | Confident | 71 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -149 | 149.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | S378 V385 I419 S465 | S378-A421 WeakPolarHBondContact O-CA 3.34Å; S378-A421 WeakPolarHBondContact O-CB 3.37Å; V385-A421 HydrophobicContact CG1-CB 3.91Å; I419-A421 HydrophobicContact CG2-CB 4.06Å; A421-S465 PolarHBondContact O-OG 2.94Å |
| 422 | C | 71 | Confident | 68.1 | Low | 27 Ų | 27 | 44.1 Ų | 44.1 | 18% | 0.182 | 23% | 0.228 | C | C | . | . | trans | -59.6 | 143.6 | 170.9 | -59.9 | 0 | 0 | 0 | 0 | 109.5 | G380 M381 | G380-C422 CarbonylContact C-O 3.51Å; G380-C422 WeakPolarHBondContact CA-O 3.48Å; M381-C422 PolarHBondContact N-O 2.85Å | ||
| 423 | Q | 56.8 | Low | 65.2 | Low | 10 Ų | 10 | 45.4 Ų | 45.4 | 5% | 0.047 | 25% | 0.245 | C | C | . | . | trans | -112.2 | 9 | 173.7 | -66 | -62.8 | -67.3 | 0 | 0 | 111.9 | M381 E382 G383 M464 T466 D469 H470 | M381-Q423 PolarHBondContact O-NE2 3.39Å; M381-Q423 PolarHBondContact O-OE1 3.37Å; E382-Q423 WeakPolarHBondContact CA-O 3.33Å; E382-Q423 WeakPolarHBondContact CB-O 3.22Å; E382-Q423 PolarHBondContact N-O 2.86Å; G383-Q423 VanDerWaalsContact N-OE1 3.09Å; Q423-M464 HydrophobicContact CG-CE 3.65Å; Q423-M464 VanDerWaalsContact NE2-CE 3.28Å; Q423-T466 HydrophobicContact CB-CG2 4.18Å; Q423-T466 HydrophobicContact CG-CG2 4.25Å; Q423-D469 WeakPolarHBondContact O-CA 3.26Å; Q423-D469 PolarHBondContact O-N 3.09Å; Q423-H470 PolarHBondContact N-O 2.86Å; Q423-H470 VanDerWaalsContact N-O 3.12Å | ||
| 424 | G | 55.5 | Low | 62.2 | Low | 15 Ų | 15 | 50.2 Ų | 50.2 | 16% | 0.155 | 27% | 0.273 | C | S | . | . | trans | 167.9 | -163.3 | 171 | 0 | 0 | 0 | 0 | 0 | 112 | D469 H470 | G424-D469 CarbonylContact C-O 3.59Å; G424-D469 VanDerWaalsContact C-O 3.28Å; G424-D469 VanDerWaalsContact CA-C 3.45Å; G424-D469 WeakPolarHBondContact CA-O 3.46Å; G424-H470 PolarHBondContact N-O 3.37Å | ||
| 425 | C | 41.8 | Very low | 59.5 | Low | 125 Ų | 125 | 53.7 Ų | 53.7 | 85% | 0.845 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -107.2 | -2.5 | -171.5 | -56.3 | 0 | 0 | 0 | 0 | 114.6 | D469 | C425-D469 PolarHBondContact N-O 3.35Å; C425-D469 VanDerWaalsContact N-O 3.14Å |
| 426 | K | 36 | Very low | 56.5 | Low | 86 Ų | 86 | 59.6 Ų | 59.6 | 37% | 0.374 | 34% | 0.339 | S | S | . | . | B | Isolated β-bridge | trans | -82.5 | 144.4 | -176.5 | -57.6 | -178.2 | -171.5 | 155.8 | 0 | 111.6 | S444 D469 H470 V471 | K426-S444 PolarHBondContact NZ-OG 3.21Å; K426-D469 WeakPolarHBondContact CA-O 3.38Å; K426-D469 VanDerWaalsContact CB-O 3.23Å; K426-D469 WeakPolarHBondContact CB-O 3.36Å; K426-D469 HydrophobicContact CD-CB 3.89Å; K426-D469 HydrophobicContact CG-CB 4.31Å; K426-D469 PolarHBondContact N-O 2.73Å; K426-D469 IonicContact NZ-OD2 2.77Å; K426-D469 PolarHBondContact NZ-OD2 3.46Å; K426-H470 CarbonylContact O-C 3.36Å; K426-H470 WeakPolarHBondContact O-CA 3.42Å; K426-V471 PolarHBondContact O-N 2.94Å |
| 427 | Q | 40.8 | Very low | 53.5 | Low | 73 Ų | 73 | 65.1 Ų | 65.1 | 34% | 0.341 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -96.9 | 140.1 | 174 | -63.2 | 179.5 | 6.3 | 0 | 0 | 109.3 | Y429 K521 | Q427-Y429 HydrophobicContact CB-CE2 4.13Å; Q427-Y429 WeakPolarHBondContact O-CD2 3.45Å; Q427-Y429 WeakPolarHBondContact O-CE2 3.28Å; Q427-K521 VanDerWaalsContact NE2-NZ 3.12Å; Q427-K521 VanDerWaalsContact OE1-NZ 3.12Å |
| 428 | Q | 40.5 | Very low | 50.4 | Low | 26 Ų | 26 | 69 Ų | 69 | 12% | 0.121 | 39% | 0.386 | C | S | . | . | B | Isolated β-bridge | trans | -93 | 147.2 | 174.7 | -51.7 | 177 | -86.2 | 0 | 0 | 110 | H470 K521 K522 | Q428-H470 HydrophobicContact CG-CB 3.91Å; Q428-H470 WeakPolarHBondContact CG-CD2 3.42Å; Q428-K521 CarbonylContact O-C 3.59Å; Q428-K521 VanDerWaalsContact O-CA 3.31Å; Q428-K521 WeakPolarHBondContact O-CA 3.5Å; Q428-K522 HydrophobicContact CB-CB 4.14Å; Q428-K522 WeakPolarHBondContact CB-O 3.43Å; Q428-K522 PolarHBondContact O-N 3.47Å |
| 429 | Y | 40.2 | Very low | 47.6 | Very low | 97 Ų | 97 | 71 Ų | 71 | 38% | 0.38 | 40% | 0.395 | S | S | . | . | trans | -123 | 152.8 | -176.7 | -63.3 | -89.5 | 0 | 0 | 0 | 111.6 | Q427 L520 | Q427-Y429 HydrophobicContact CB-CE2 4.13Å; Q427-Y429 WeakPolarHBondContact O-CD2 3.45Å; Q427-Y429 WeakPolarHBondContact O-CE2 3.28Å; Y429-L520 WeakPolarHBondContact CA-O 3.45Å; Y429-L520 HydrophobicContact CD1-CB 4.3Å; Y429-L520 WeakPolarHBondContact CD1-O 3.29Å; Y429-L520 HydrophobicContact CE1-CB 4.36Å | ||
| 430 | P | 33.1 | Very low | 44.7 | Very low | 44 Ų | 44 | 75 Ų | 75 | 29% | 0.286 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 133.3 | -179.9 | 26.3 | -31.9 | 0 | 0 | 0 | 113 | L520 K522 | P430-L520 WeakPolarHBondContact CD-O 3.45Å; P430-K522 HydrophobicContact CB-CD 4.31Å; P430-K522 HydrophobicContact CB-CG 3.85Å; P430-K522 HydrophobicContact CG-CG 4.42Å |
| 431 | V | 43.7 | Very low | 41.9 | Very low | 102 Ų | 102 | 78 Ų | 78 | 62% | 0.618 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -95 | 130.3 | 169.6 | -172.7 | 0 | 0 | 0 | 0 | 109.1 | ||
| 432 | K | 32.8 | Very low | 39.3 | Very low | 170 Ų | 170 | 82 Ų | 82 | 74% | 0.739 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -83.1 | 148.9 | -179 | -72.7 | -179.8 | -178.1 | 171 | 0 | 112 | D434 | K432-D434 VanDerWaalsContact C-N 3.35Å; K432-D434 PolarHBondContact O-N 3.44Å |
| 433 | P | 32.2 | Very low | 37.1 | Very low | 130 Ų | 130 | 86.9 Ų | 86.9 | 84% | 0.844 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -76 | -14.4 | -174.4 | 10.1 | -0.9 | 0 | 0 | 0 | 115.2 | G435 | P433-G435 PolarHBondContact O-N 2.63Š|
| 434 | D | 33.6 | Very low | 35.5 | Very low | 139 Ų | 139 | 89.2 Ų | 89.2 | 74% | 0.743 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -95.1 | 76.3 | 176 | -68.6 | -29.2 | 0 | 0 | 0 | 110.1 | K432 I436 | K432-D434 VanDerWaalsContact C-N 3.35Å; K432-D434 PolarHBondContact O-N 3.44Å; D434-I436 WeakPolarHBondContact O-CG1 3.31Å; D434-I436 PolarHBondContact O-N 3.18Å |
| 435 | G | 40.8 | Very low | 34.1 | Very low | 74 Ų | 74 | 92.4 Ų | 92.4 | 76% | 0.763 | 53% | 0.528 | S | S | * | . | S | Bend | trans | 43.3 | 14.4 | 152.3 | 0 | 0 | 0 | 0 | 0 | 120.9 | P433 | P433-G435 PolarHBondContact O-N 2.63Š|
| 436 | I | 34.1 | Very low | 33.3 | Very low | 129 Ų | 129 | 93.9 Ų | 93.9 | 66% | 0.662 | 53% | 0.528 | S | S | * | . | trans | -105.2 | 95.4 | 176.3 | -62.3 | 168.8 | 0 | 0 | 0 | 105.2 | D434 D438 | D434-I436 WeakPolarHBondContact O-CG1 3.31Å; D434-I436 PolarHBondContact O-N 3.18Å; I436-D438 PolarHBondContact O-N 2.89Å | ||
| 437 | E | 34 | Very low | 32.8 | Very low | 116 Ų | 116 | 91.2 Ų | 91.2 | 54% | 0.542 | 52% | 0.522 | S | S | . | . | trans | -67.8 | 112.3 | 177 | -70.6 | 178.1 | 169.2 | 0 | 0 | 109.2 | V72 E439 | V72-E437 HydrophobicContact CG2-CB 4.16Å; E437-E439 PolarHBondContact O-N 3.49Å | ||
| 438 | D | 30.3 | Very low | 32.6 | Very low | 84 Ų | 84 | 96.5 Ų | 96.5 | 45% | 0.449 | 54% | 0.543 | S | S | . | . | trans | -77.1 | 96 | 165.2 | -159.3 | -14.3 | 0 | 0 | 0 | 106.8 | I436 T440 | I436-D438 PolarHBondContact O-N 2.89Å; D438-T440 PolarHBondContact O-N 2.87Å; D438-T440 PolarHBondContact OD1-OG1 3.44Å; D438-T440 VanDerWaalsContact OD1-OG1 3.08Å | ||
| 439 | E | 39.1 | Very low | 32.9 | Very low | 41 Ų | 41 | 98.5 Ų | 98.5 | 19% | 0.192 | 56% | 0.557 | C | S | . | * | trans | -73.2 | 45.2 | -179.3 | -83 | -160.9 | -178.4 | 0 | 0 | 113.4 | P71 V72 E437 | P71-E439 VanDerWaalsContact CD-CD 3.5Å; P71-E439 WeakPolarHBondContact CD-OE2 3.48Å; P71-E439 WeakPolarHBondContact CG-OE1 3.25Å; P71-E439 WeakPolarHBondContact CG-OE2 3.29Å; V72-E439 HydrophobicContact CG2-CG 4.33Å; E437-E439 PolarHBondContact O-N 3.49Å | ||
| 440 | T | 31.1 | Very low | 33.4 | Very low | 85 Ų | 85 | 95.4 Ų | 95.4 | 52% | 0.521 | 55% | 0.548 | S | S | . | . | trans | -109.4 | 15.5 | 175.8 | 50.2 | 0 | 0 | 0 | 0 | 114.2 | D438 | D438-T440 PolarHBondContact O-N 2.87Å; D438-T440 PolarHBondContact OD1-OG1 3.44Å; D438-T440 VanDerWaalsContact OD1-OG1 3.08Å | ||
| 441 | T | 29.9 | Very low | 34.4 | Very low | 65 Ų | 65 | 97.2 Ų | 97.2 | 40% | 0.399 | 56% | 0.555 | S | S | . | * | trans | -117.3 | 81.8 | 166.5 | 34.6 | 0 | 0 | 0 | 0 | 111.3 | V443 | T441-V443 VanDerWaalsContact C-N 3.33Å; T441-V443 PolarHBondContact O-N 3.42Å | ||
| 442 | Q | 27.5 | Very low | 34.9 | Very low | 85 Ų | 85 | 93.8 Ų | 93.8 | 40% | 0.397 | 53% | 0.534 | S | S | . | . | trans | -62.1 | 98.5 | 158.4 | -76.2 | 174.2 | 12.3 | 0 | 0 | 108.7 | R181 S444 | R181-Q442 VanDerWaalsContact CZ-OE1 3.27Å; Q442-S444 PolarHBondContact O-N 2.96Å; Q442-S444 VanDerWaalsContact O-N 3.13Å | ||
| 443 | V | 25 | Very low | 35.9 | Very low | 129 Ų | 129 | 95.6 Ų | 95.6 | 78% | 0.782 | 54% | 0.536 | S | S | * | . | trans | -72.9 | 97.6 | 165 | -176.4 | 0 | 0 | 0 | 0 | 107.1 | T441 A445 | T441-V443 VanDerWaalsContact C-N 3.33Å; T441-V443 PolarHBondContact O-N 3.42Å; V443-A445 PolarHBondContact O-N 3.06Å | ||
| 444 | S | 23.7 | Very low | 36.8 | Very low | 58 Ų | 58 | 91.8 Ų | 91.8 | 41% | 0.406 | 51% | 0.512 | S | S | . | . | trans | -74 | 104.4 | 158.6 | 42.8 | 0 | 0 | 0 | 0 | 107.8 | K426 Q442 D446 D469 | K426-S444 PolarHBondContact NZ-OG 3.21Å; Q442-S444 PolarHBondContact O-N 2.96Å; Q442-S444 VanDerWaalsContact O-N 3.13Å; S444-D446 PolarHBondContact O-N 2.85Å; S444-D469 PolarHBondContact OG-OD2 3.04Å | ||
| 445 | A | 26.7 | Very low | 37.8 | Very low | 83 Ų | 83 | 90.7 Ų | 90.7 | 69% | 0.686 | 51% | 0.513 | S | S | * | . | trans | -79.6 | 96 | 157.8 | 0 | 0 | 0 | 0 | 0 | 107 | V443 | V443-A445 PolarHBondContact O-N 3.06Š| ||
| 446 | D | 23.8 | Very low | 38.6 | Very low | 156 Ų | 156 | 90 Ų | 90 | 83% | 0.834 | 49% | 0.494 | S | S | * | . | trans | -153.2 | 46.5 | 144.5 | -86.9 | -26.4 | 0 | 0 | 0 | 108.5 | S444 | S444-D446 PolarHBondContact O-N 2.85Š| ||
| 447 | A | 27.1 | Very low | 40.2 | Very low | 30 Ų | 30 | 84.6 Ų | 84.6 | 25% | 0.248 | 47% | 0.466 | C | S | . | . | trans | -80.7 | 127.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | E382 V449 P468 | E382-A447 WeakPolarHBondContact OE1-CA 3.48Å; A447-V449 PolarHBondContact O-N 3.14Å; A447-P468 HydrophobicContact CB-CB 3.09Å; A447-P468 HydrophobicContact CB-CG 3.27Å | ||
| 448 | K | 35.6 | Very low | 42.5 | Very low | 183 Ų | 183 | 80.4 Ų | 80.4 | 80% | 0.796 | 45% | 0.451 | S | S | * | . | trans | -71.7 | 83.9 | 159.9 | -86.5 | -176 | 179.6 | 171.5 | 0 | 108 | E382 V450 | E382-K448 PolarHBondContact OE1-N 3.3Å; K448-V450 PolarHBondContact O-N 3.26Å | ||
| 449 | V | 46.2 | Very low | 45.4 | Very low | 69 Ų | 69 | 76.5 Ų | 76.5 | 42% | 0.418 | 43% | 0.43 | S | S | . | . | trans | -47.3 | 133 | 150.7 | -178.9 | 0 | 0 | 0 | 0 | 105.5 | A447 D451 A528 | A447-V449 PolarHBondContact O-N 3.14Å; V449-D451 PolarHBondContact O-N 3.38Å; V449-A528 HydrophobicContact CG1-CB 4.19Å | ||
| 450 | V | 51 | Low | 48 | Very low | 31 Ų | 31 | 74.6 Ų | 74.6 | 19% | 0.188 | 42% | 0.421 | C | S | . | . | trans | -42.8 | 118.3 | 174 | 177.4 | 0 | 0 | 0 | 0 | 106.5 | I395 I399 K448 L452 | I395-V450 HydrophobicContact CG2-CG2 4.16Å; I399-V450 HydrophobicContact CD1-CG1 3.8Å; I399-V450 HydrophobicContact CD1-CG2 4.09Å; K448-V450 PolarHBondContact O-N 3.26Å; V450-L452 HydrophobicContact CB-CD2 4.2Å; V450-L452 HydrophobicContact CB-CG 4.44Å; V450-L452 HydrophobicContact CG1-CD2 3.68Å; V450-L452 HydrophobicContact CG1-CG 4.34Å; V450-L452 WeakPolarHBondContact O-CG 3.49Å; V450-L452 PolarHBondContact O-N 3.17Å | ||
| 451 | D | 54.3 | Low | 51 | Low | 82 Ų | 82 | 70.6 Ų | 70.6 | 44% | 0.439 | 40% | 0.396 | S | S | . | . | trans | -69.6 | 86.8 | -176.8 | -171.7 | -6.3 | 0 | 0 | 0 | 108.1 | V449 R453 | V449-D451 PolarHBondContact O-N 3.38Å; D451-R453 PolarHBondContact O-N 2.98Å; D451-R453 WeakPolarHBondContact OD1-CB 3.37Å; D451-R453 VanDerWaalsContact OD1-CG 3.23Å; D451-R453 WeakPolarHBondContact OD1-CG 3.46Å; D451-R453 IonicContact OD1-CZ 2.74Å; D451-R453 PolarHBondContact OD1-N 3.36Å; D451-R453 IonicContact OD1-NE 3.53Å; D451-R453 PolarHBondContact OD1-NE 2.68Å; D451-R453 IonicContact OD1-NH2 2.74Å; D451-R453 IonicContact OD2-CZ 2.84Å; D451-R453 IonicContact OD2-NE 3.6Å; D451-R453 PolarHBondContact OD2-NE 3.13Å; D451-R453 IonicContact OD2-NH2 3.41Å; D451-R453 PolarHBondContact OD2-NH2 2.97Å | ||
| 452 | L | 54.9 | Low | 53.9 | Low | 31 Ų | 31 | 67.6 Ų | 67.6 | 16% | 0.162 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | 4.8 | -178.2 | -64.1 | -179.3 | 0 | 0 | 0 | 112 | V450 S454 I457 L460 A528 | V450-L452 HydrophobicContact CB-CD2 4.2Å; V450-L452 HydrophobicContact CB-CG 4.44Å; V450-L452 HydrophobicContact CG1-CD2 3.68Å; V450-L452 HydrophobicContact CG1-CG 4.34Å; V450-L452 WeakPolarHBondContact O-CG 3.49Å; V450-L452 PolarHBondContact O-N 3.17Å; L452-S454 PolarHBondContact O-N 3.45Å; L452-I457 HydrophobicContact CD2-CG2 4.03Å; L452-L460 HydrophobicContact CD2-CD2 3.73Å; L452-A528 HydrophobicContact CD1-CB 3.84Å |
| 453 | R | 52.4 | Low | 56.8 | Low | 208 Ų | 208 | 63.6 Ų | 63.6 | 79% | 0.785 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -6.1 | -179.3 | -61.2 | 177.6 | -69.1 | -176.8 | -0.6 | 113.3 | D451 | D451-R453 PolarHBondContact O-N 2.98Å; D451-R453 WeakPolarHBondContact OD1-CB 3.37Å; D451-R453 VanDerWaalsContact OD1-CG 3.23Å; D451-R453 WeakPolarHBondContact OD1-CG 3.46Å; D451-R453 IonicContact OD1-CZ 2.74Å; D451-R453 PolarHBondContact OD1-N 3.36Å; D451-R453 IonicContact OD1-NE 3.53Å; D451-R453 PolarHBondContact OD1-NE 2.68Å; D451-R453 IonicContact OD1-NH2 2.74Å; D451-R453 IonicContact OD2-CZ 2.84Å; D451-R453 IonicContact OD2-NE 3.6Å; D451-R453 PolarHBondContact OD2-NE 3.13Å; D451-R453 IonicContact OD2-NH2 3.41Å; D451-R453 PolarHBondContact OD2-NH2 2.97Å |
| 454 | S | 52.4 | Low | 59.6 | Low | 49 Ų | 49 | 58.5 Ų | 58.5 | 34% | 0.343 | 33% | 0.328 | S | S | . | . | trans | -81.2 | 123.5 | 176.2 | -177.3 | 0 | 0 | 0 | 0 | 111.7 | L452 V456 I457 | L452-S454 PolarHBondContact O-N 3.45Å; S454-V456 PolarHBondContact O-N 3.44Å; S454-V456 VanDerWaalsContact O-N 3.08Å; S454-V456 PolarHBondContact OG-N 3.34Å; S454-I457 PolarHBondContact O-N 3.03Å | ||
| 455 | P | 53.2 | Low | 61.7 | Low | 117 Ų | 117 | 55.8 Ų | 55.8 | 76% | 0.76 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -58.4 | -22.3 | 175.4 | -22.8 | 32.4 | 0 | 0 | 0 | 113.9 | I457 A458 | P455-I457 PolarHBondContact O-N 2.97Å; P455-A458 PolarHBondContact O-N 3.09Å |
| 456 | V | 57.3 | Low | 63.3 | Low | 60 Ų | 60 | 51.9 Ų | 51.9 | 36% | 0.364 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -64.4 | -22.9 | 175.9 | -175.4 | 0 | 0 | 0 | 0 | 111.3 | N403 E405 S454 | N403-V456 HydrophobicContact CB-CG1 4.25Å; N403-V456 WeakPolarHBondContact ND2-CG1 3.3Å; E405-V456 HydrophobicContact CB-CG1 4.16Å; S454-V456 PolarHBondContact O-N 3.44Å; S454-V456 VanDerWaalsContact O-N 3.08Å; S454-V456 PolarHBondContact OG-N 3.34Å |
| 457 | I | 69.2 | Low | 64.6 | Low | 15 Ų | 15 | 45.8 Ų | 45.8 | 8% | 0.077 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -106.6 | 43.3 | -179.2 | -43.7 | 177.2 | 0 | 0 | 0 | 109.6 | I399 L452 S454 P455 L460 S530 | I399-I457 HydrophobicContact CG2-CD1 4.48Å; I399-I457 HydrophobicContact CG2-CG2 3.66Å; L452-I457 HydrophobicContact CD2-CG2 4.03Å; S454-I457 PolarHBondContact O-N 3.03Å; P455-I457 PolarHBondContact O-N 2.97Å; I457-L460 HydrophobicContact CG2-CB 4.03Å; I457-L460 HydrophobicContact CG2-CD2 3.36Å; I457-L460 HydrophobicContact CG2-CG 4.31Å; I457-S530 WeakPolarHBondContact O-CB 3.45Å; I457-S530 PolarHBondContact O-OG 3.31Å |
| 458 | A | 82.1 | Confident | 65.5 | Low | 27 Ų | 27 | 45.8 Ų | 45.8 | 22% | 0.223 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 155.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K415 P455 L460 | K415-A458 WeakPolarHBondContact CE-O 3.39Å; K415-A458 PolarHBondContact NZ-O 3.27Å; K415-A458 VanDerWaalsContact NZ-O 3.17Å; P455-A458 PolarHBondContact O-N 3.09Å; A458-L460 VanDerWaalsContact C-N 3.27Å; A458-L460 PolarHBondContact O-N 3.34Å |
| 459 | D | 91.1 | Very high | 66 | Low | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 33 | 177.8 | -40.2 | -65.5 | 0 | 0 | 0 | 113.3 | Y295 E412 K413 P414 K415 S530 R532 | Y295-D459 HydrophobicContact CE1-CB 4.27Å; Y295-D459 WeakPolarHBondContact OH-CB 3.46Å; Y295-D459 PolarHBondContact OH-OD1 2.99Å; E412-D459 WeakPolarHBondContact CA-OD2 3.47Å; E412-D459 PolarHBondContact N-OD2 2.99Å; K413-D459 WeakPolarHBondContact O-CB 3.48Å; P414-D459 CarbonylContact C-O 3.58Å; P414-D459 WeakPolarHBondContact CA-O 3.44Å; K415-D459 WeakPolarHBondContact CE-O 3.49Å; K415-D459 PolarHBondContact N-O 3.48Å; D459-S530 PolarHBondContact N-O 2.86Å; D459-R532 IonicContact OD1-CZ 2.69Å; D459-R532 IonicContact OD1-NE 3.22Å; D459-R532 PolarHBondContact OD1-NE 3.5Å; D459-R532 IonicContact OD1-NH2 3.54Å; D459-R532 PolarHBondContact OD1-NH2 3.21Å; D459-R532 IonicContact OD2-CZ 2.67Å; D459-R532 IonicContact OD2-NE 2.76Å; D459-R532 IonicContact OD2-NH2 3.74Å; D459-R532 PolarHBondContact OD2-NH2 3.32Å |
| 460 | L | 92.8 | Very high | 66 | Low | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 142.1 | 176.6 | -176.1 | 73.1 | 0 | 0 | 0 | 110.6 | I399 K415 L417 L452 I457 A458 V462 F529 S530 | I399-L460 HydrophobicContact CB-CD2 4.46Å; I399-L460 HydrophobicContact CD1-CD2 3.77Å; I399-L460 HydrophobicContact CG1-CD2 3.99Å; I399-L460 HydrophobicContact CG2-CD2 3.61Å; K415-L460 HydrophobicContact CB-CD1 3.74Å; K415-L460 CarbonylContact O-C 3.12Å; K415-L460 WeakPolarHBondContact O-CA 3.28Å; K415-L460 WeakPolarHBondContact O-CD1 3.38Å; L417-L460 HydrophobicContact CD1-CD1 4.05Å; L452-L460 HydrophobicContact CD2-CD2 3.73Å; I457-L460 HydrophobicContact CG2-CB 4.03Å; I457-L460 HydrophobicContact CG2-CD2 3.36Å; I457-L460 HydrophobicContact CG2-CG 4.31Å; A458-L460 VanDerWaalsContact C-N 3.27Å; A458-L460 PolarHBondContact O-N 3.34Å; L460-V462 HydrophobicContact CD2-CG2 3.8Å; L460-V462 HydrophobicContact CG-CG2 4.01Å; L460-F529 CarbonylContact O-C 3.57Å; L460-F529 WeakPolarHBondContact O-CA 3.22Å; L460-F529 WeakPolarHBondContact O-CB 3.43Å; L460-S530 PolarHBondContact N-OG 2.99Å; L460-S530 PolarHBondContact O-N 3.36Å; L460-S530 PolarHBondContact O-OG 3.31Å |
| 461 | L | 94.4 | Very high | 65.7 | Low | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 131.3 | 165 | -179.6 | 148.7 | 0 | 0 | 0 | 108.9 | K415 M416 L417 F418 L500 V501 L504 F529 L531 | K415-L461 PolarHBondContact O-N 3.16Å; M416-L461 CarbonylContact C-O 3.58Å; M416-L461 WeakPolarHBondContact CA-O 3.39Å; M416-L461 HydrophobicContact CG-CB 4.35Å; L417-L461 PolarHBondContact N-O 3.34Å; F418-L461 HydrophobicContact CE1-CD2 3.98Å; F418-L461 HydrophobicContact CZ-CD2 4.37Å; L461-L500 HydrophobicContact CD1-CD2 4.01Å; L461-L500 HydrophobicContact CD1-CG 4.31Å; L461-V501 HydrophobicContact CD1-CG2 4.35Å; L461-L504 HydrophobicContact CD1-CD1 3.76Å; L461-L504 HydrophobicContact CD2-CD1 3.83Å; L461-L504 HydrophobicContact CG-CD1 4.31Å; L461-F529 HydrophobicContact CB-CB 4.14Å; L461-F529 HydrophobicContact CD1-CB 4.39Å; L461-F529 HydrophobicContact CG-CB 4.22Å; L461-L531 HydrophobicContact CB-CD1 4.07Å; L461-L531 HydrophobicContact CB-CD2 4.41Å; L461-L531 HydrophobicContact CB-CG 4.22Å; L461-L531 HydrophobicContact CD1-CD1 3.66Å; L461-L531 HydrophobicContact CG-CD1 4.5Å |
| 462 | V | 91.4 | Very high | 65.4 | Low | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.018 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 108.1 | 173.8 | -173.7 | 0 | 0 | 0 | 0 | 108 | I399 L417 I419 L460 M464 P527 A528 | I399-V462 HydrophobicContact CD1-CG2 4.03Å; L417-V462 HydrophobicContact CB-CG1 4.44Å; L417-V462 HydrophobicContact CB-CG2 4.4Å; L417-V462 CarbonylContact O-C 3.54Å; L417-V462 WeakPolarHBondContact O-CA 3.44Å; I419-V462 HydrophobicContact CD1-CG1 4.19Å; L460-V462 HydrophobicContact CD2-CG2 3.8Å; L460-V462 HydrophobicContact CG-CG2 4.01Å; V462-M464 HydrophobicContact CG1-CG 4.08Å; V462-M464 HydrophobicContact CG1-SD 3.64Å; V462-P527 CarbonylContact O-C 3.58Å; V462-P527 WeakPolarHBondContact O-CA 3.19Å; V462-A528 PolarHBondContact N-O 3.2Å; V462-A528 PolarHBondContact O-N 2.97Å |
| 463 | G | 87.4 | Confident | 65.4 | Low | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 102.1 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | L417 I419 Y482 | L417-G463 PolarHBondContact O-N 3.1Å; I419-G463 PolarHBondContact N-O 3.32Å; G463-Y482 VanDerWaalsContact CA-OH 3.31Å; G463-Y482 WeakPolarHBondContact CA-OH 3.31Å; G463-Y482 PolarHBondContact O-OH 3.29Å |
| 464 | M | 83.8 | Confident | 65.6 | Low | 23 Ų | 23 | 27.2 Ų | 27.2 | 11% | 0.113 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 136.8 | 175.7 | -58.2 | -60.9 | -70.3 | 0 | 0 | 110.4 | I395 I419 Q423 V462 T466 P525 Q526 | I395-M464 HydrophobicContact CD1-CE 3.79Å; I395-M464 HydrophobicContact CD1-SD 4.24Å; I419-M464 HydrophobicContact CB-CE 4.22Å; I419-M464 HydrophobicContact CB-SD 3.71Å; I419-M464 HydrophobicContact CD1-SD 3.82Å; I419-M464 HydrophobicContact CG1-SD 4.17Å; I419-M464 HydrophobicContact CG2-CE 4.03Å; I419-M464 HydrophobicContact CG2-SD 4.18Å; Q423-M464 HydrophobicContact CG-CE 3.65Å; Q423-M464 VanDerWaalsContact NE2-CE 3.28Å; V462-M464 HydrophobicContact CG1-CG 4.08Å; V462-M464 HydrophobicContact CG1-SD 3.64Å; M464-T466 PolarHBondContact O-N 3.29Å; M464-P525 WeakPolarHBondContact O-CA 3.44Å; M464-P525 WeakPolarHBondContact O-CB 3.46Å; M464-Q526 PolarHBondContact N-O 3.46Å; M464-Q526 PolarHBondContact O-N 3.21Å |
| 465 | S | 69.3 | Low | 65.4 | Low | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -66.3 | -22.1 | -178.4 | 64.2 | 0 | 0 | 0 | 0 | 114.7 | I419 Q420 A421 Q523 P525 | I419-S465 PolarHBondContact O-N 3.1Å; Q420-S465 PolarHBondContact OE1-OG 3.26Å; A421-S465 PolarHBondContact O-OG 2.94Å; S465-Q523 PolarHBondContact O-NE2 3.35Å; S465-P525 WeakPolarHBondContact O-CA 3.47Å |
| 466 | T | 58.6 | Low | 65.2 | Low | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -147.5 | 153.4 | 178.3 | -166.8 | 0 | 0 | 0 | 0 | 110.4 | Q423 M464 H470 M524 | Q423-T466 HydrophobicContact CB-CG2 4.18Å; Q423-T466 HydrophobicContact CG-CG2 4.25Å; M464-T466 PolarHBondContact O-N 3.29Å; T466-H470 WeakPolarHBondContact CG2-O 3.31Å; T466-H470 WeakPolarHBondContact OG1-CB 3.39Å; T466-M524 CarbonylContact C-O 3.52Å; T466-M524 VanDerWaalsContact CA-O 3.26Å; T466-M524 WeakPolarHBondContact CA-O 3.47Å |
| 467 | V | 52 | Low | 64.8 | Low | 29 Ų | 29 | 33.2 Ų | 33.2 | 18% | 0.176 | 16% | 0.163 | C | C | . | . | trans | -59.4 | 155.9 | 169.6 | -66.8 | 0 | 0 | 0 | 0 | 110.1 | H470 M524 Q526 | V467-H470 HydrophobicContact CG2-CB 4.14Å; V467-H470 WeakPolarHBondContact CG2-ND1 3.36Å; V467-H470 PolarHBondContact O-N 2.96Å; V467-M524 HydrophobicContact CG1-CB 4.25Å; V467-M524 HydrophobicContact CG1-CG 4.21Å; V467-M524 PolarHBondContact N-O 2.66Å; V467-Q526 HydrophobicContact CG1-CB 4.03Å | ||
| 468 | P | 46.2 | Very low | 64.3 | Low | 29 Ų | 29 | 35.6 Ų | 35.6 | 19% | 0.188 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 153.2 | 174 | -28.6 | 36.3 | 0 | 0 | 0 | 113.6 | E382 A447 H470 | E382-P468 HydrophobicContact CG-CB 4.41Å; A447-P468 HydrophobicContact CB-CB 3.09Å; A447-P468 HydrophobicContact CB-CG 3.27Å; P468-H470 PolarHBondContact O-N 3.35Å; P468-H470 PolarHBondContact O-ND1 3.03Å |
| 469 | D | 46.8 | Very low | 63.7 | Low | 34 Ų | 34 | 34.3 Ų | 34.3 | 18% | 0.182 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | -6.8 | -174.2 | -70.3 | -25.9 | 0 | 0 | 0 | 117 | Q423 G424 C425 K426 S444 | Q423-D469 WeakPolarHBondContact O-CA 3.26Å; Q423-D469 PolarHBondContact O-N 3.09Å; G424-D469 CarbonylContact C-O 3.59Å; G424-D469 VanDerWaalsContact C-O 3.28Å; G424-D469 VanDerWaalsContact CA-C 3.45Å; G424-D469 WeakPolarHBondContact CA-O 3.46Å; C425-D469 PolarHBondContact N-O 3.35Å; C425-D469 VanDerWaalsContact N-O 3.14Å; K426-D469 WeakPolarHBondContact CA-O 3.38Å; K426-D469 VanDerWaalsContact CB-O 3.23Å; K426-D469 WeakPolarHBondContact CB-O 3.36Å; K426-D469 HydrophobicContact CD-CB 3.89Å; K426-D469 HydrophobicContact CG-CB 4.31Å; K426-D469 PolarHBondContact N-O 2.73Å; K426-D469 IonicContact NZ-OD2 2.77Å; K426-D469 PolarHBondContact NZ-OD2 3.46Å; S444-D469 PolarHBondContact OG-OD2 3.04Å |
| 470 | H | 45.8 | Very low | 63.2 | Low | 24 Ų | 24 | 34.2 Ų | 34.2 | 11% | 0.111 | 17% | 0.171 | C | C | . | . | B | Isolated β-bridge | trans | -111.8 | 155.2 | -168.5 | -63.5 | 83.2 | 0 | 0 | 0 | 115 | Q423 G424 K426 Q428 T466 V467 P468 | Q423-H470 PolarHBondContact N-O 2.86Å; Q423-H470 VanDerWaalsContact N-O 3.12Å; G424-H470 PolarHBondContact N-O 3.37Å; K426-H470 CarbonylContact O-C 3.36Å; K426-H470 WeakPolarHBondContact O-CA 3.42Å; Q428-H470 HydrophobicContact CG-CB 3.91Å; Q428-H470 WeakPolarHBondContact CG-CD2 3.42Å; T466-H470 WeakPolarHBondContact CG2-O 3.31Å; T466-H470 WeakPolarHBondContact OG1-CB 3.39Å; V467-H470 HydrophobicContact CG2-CB 4.14Å; V467-H470 WeakPolarHBondContact CG2-ND1 3.36Å; V467-H470 PolarHBondContact O-N 2.96Å; P468-H470 PolarHBondContact O-N 3.35Å; P468-H470 PolarHBondContact O-ND1 3.03Å |
| 471 | V | 44 | Very low | 62.7 | Low | 40 Ų | 40 | 36 Ų | 36 | 24% | 0.242 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -80.8 | 144.5 | 176.2 | -179.2 | 0 | 0 | 0 | 0 | 110.1 | K426 | K426-V471 PolarHBondContact O-N 2.94Š|
| 472 | S | 48 | Very low | 62.4 | Low | 15 Ų | 15 | 36.1 Ų | 36.1 | 11% | 0.105 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -101.5 | 134.1 | 169.1 | 65.9 | 0 | 0 | 0 | 0 | 110.5 | Q420 | Q420-S472 PolarHBondContact NE2-OG 3.16Š|
| 473 | F | 55.1 | Low | 62.4 | Low | 31 Ų | 31 | 36 Ų | 36 | 14% | 0.136 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -85.3 | 149 | -177 | -65.1 | -80.6 | 0 | 0 | 0 | 112.6 | W481 K521 K522 Q523 | F473-W481 HydrophobicContact CB-CD2 4.1Å; F473-W481 HydrophobicContact CB-CE3 4.06Å; F473-W481 HydrophobicContact CB-CH2 4.14Å; F473-W481 HydrophobicContact CB-CZ2 4.23Å; F473-W481 HydrophobicContact CB-CZ3 4.08Å; F473-W481 HydrophobicContact CD2-CE3 4.29Å; F473-W481 HydrophobicContact CD2-CH2 4.22Å; F473-W481 AromaticContact CD2-CZ3 3.81Å; F473-W481 HydrophobicContact CD2-CZ3 3.81Å; F473-W481 HydrophobicContact CG-CH2 4.13Å; F473-W481 HydrophobicContact CG-CZ3 4.1Å; F473-K521 HydrophobicContact CE1-CB 3.93Å; F473-K521 HydrophobicContact CE1-CD 3.39Å; F473-K521 HydrophobicContact CE1-CG 4.27Å; F473-K521 HydrophobicContact CE2-CB 3.99Å; F473-K521 HydrophobicContact CZ-CB 3.47Å; F473-K521 VanDerWaalsContact CZ-CB 3.47Å; F473-K521 HydrophobicContact CZ-CD 3.54Å; F473-K521 HydrophobicContact CZ-CG 4.03Å; F473-K522 VanDerWaalsContact CE2-O 3.29Å; F473-K522 WeakPolarHBondContact CE2-O 3.4Å; F473-Q523 HydrophobicContact CD2-CB 4.07Å |
| 474 | R | 57.2 | Low | 62.5 | Low | 70 Ų | 70 | 37.8 Ų | 37.8 | 26% | 0.264 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 139.2 | 176.1 | -170.7 | 179.2 | -51.4 | 173.2 | 10.4 | 110.8 | R322 E323 T480 | R322-R474 PolarHBondContact O-NH1 3.31Å; E323-R474 WeakPolarHBondContact O-CD 3.43Å; E323-R474 PolarHBondContact O-NH1 3.33Å; R474-T480 HydrophobicContact CB-CG2 3.81Å; R474-T480 HydrophobicContact CG-CG2 3.6Å |
| 475 | D | 48.5 | Very low | 63 | Low | 32 Ų | 32 | 36.9 Ų | 36.9 | 17% | 0.171 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 134.5 | 162.7 | -179.1 | -95 | 0 | 0 | 0 | 110.1 | F477 S478 G479 | D475-F477 PolarHBondContact O-N 3Å; D475-F477 WeakPolarHBondContact OD1-CA 3.3Å; D475-F477 PolarHBondContact OD1-N 3.17Å; D475-S478 WeakPolarHBondContact CB-OG 3.43Å; D475-S478 WeakPolarHBondContact OD1-CB 3.48Å; D475-S478 PolarHBondContact OD1-N 3.04Å; D475-S478 PolarHBondContact OD1-OG 2.99Å; D475-G479 PolarHBondContact N-O 2.69Å; D475-G479 PolarHBondContact O-N 3.24Å; D475-G479 VanDerWaalsContact O-N 3.08Å |
| 476 | K | 49.1 | Very low | 64.2 | Low | 139 Ų | 139 | 36.9 Ų | 36.9 | 60% | 0.604 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69 | -20.1 | -173.7 | -64.7 | -175 | -179.9 | -177.7 | 0 | 113.2 | E323 G324 | E323-K476 HydrophobicContact CB-CD 4.02Å; E323-K476 HydrophobicContact CB-CG 3.94Å; G324-K476 WeakPolarHBondContact CA-O 3.37Å |
| 477 | F | 47.6 | Very low | 66 | Low | 181 Ų | 181 | 36.8 Ų | 36.8 | 79% | 0.794 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.4 | -25.5 | -173.1 | -59.1 | -78 | 0 | 0 | 0 | 113 | D475 | D475-F477 PolarHBondContact O-N 3Å; D475-F477 WeakPolarHBondContact OD1-CA 3.3Å; D475-F477 PolarHBondContact OD1-N 3.17Å |
| 478 | S | 60.3 | Low | 68.1 | Low | 65 Ų | 65 | 41.6 Ų | 41.6 | 46% | 0.455 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | -5.8 | -176.4 | 56.1 | 0 | 0 | 0 | 0 | 114.6 | D475 Q484 | D475-S478 WeakPolarHBondContact CB-OG 3.43Å; D475-S478 WeakPolarHBondContact OD1-CB 3.48Å; D475-S478 PolarHBondContact OD1-N 3.04Å; D475-S478 PolarHBondContact OD1-OG 2.99Å; S478-Q484 WeakPolarHBondContact O-CG 3.12Å |
| 479 | G | 69.3 | Low | 70.5 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 91.9 | -166 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D328 D475 | D328-G479 VanDerWaalsContact OD1-CA 3.32Å; D328-G479 WeakPolarHBondContact OD1-CA 3.36Å; D475-G479 PolarHBondContact N-O 2.69Å; D475-G479 PolarHBondContact O-N 3.24Å; D475-G479 VanDerWaalsContact O-N 3.08Å |
| 480 | T | 79.1 | Confident | 72.9 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 142.8 | 179.7 | 61.8 | 0 | 0 | 0 | 0 | 111.7 | D328 Q420 R474 Y482 I483 Q484 | D328-T480 VanDerWaalsContact CG-N 3.3Å; D328-T480 VanDerWaalsContact CG-OG1 3.31Å; D328-T480 PolarHBondContact OD1-N 3.44Å; D328-T480 WeakPolarHBondContact OD2-CB 3.42Å; D328-T480 WeakPolarHBondContact OD2-CG2 3.25Å; D328-T480 PolarHBondContact OD2-N 3.22Å; D328-T480 PolarHBondContact OD2-OG1 3Å; Q420-T480 HydrophobicContact CG-CG2 3.84Å; Q420-T480 PolarHBondContact OE1-OG1 3.48Å; R474-T480 HydrophobicContact CB-CG2 3.81Å; R474-T480 HydrophobicContact CG-CG2 3.6Å; T480-Y482 PolarHBondContact O-N 3.34Å; T480-I483 PolarHBondContact O-N 2.75Å; T480-I483 WeakPolarHBondContact OG1-CB 3.27Å; T480-I483 WeakPolarHBondContact OG1-CG1 3.32Å; T480-Q484 WeakPolarHBondContact O-CB 3.26Å; T480-Q484 VanDerWaalsContact O-CG 3.22Å; T480-Q484 WeakPolarHBondContact O-CG 3.43Å; T480-Q484 PolarHBondContact O-N 3.18Å |
| 481 | W | 82.8 | Confident | 75.3 | Confident | 38 Ų | 38 | 39 Ų | 39 | 14% | 0.144 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -54.6 | -41.7 | -178.9 | -67.6 | -6.7 | 0 | 0 | 0 | 112.8 | F473 S485 V511 M514 D516 Q523 | F473-W481 HydrophobicContact CB-CD2 4.1Å; F473-W481 HydrophobicContact CB-CE3 4.06Å; F473-W481 HydrophobicContact CB-CH2 4.14Å; F473-W481 HydrophobicContact CB-CZ2 4.23Å; F473-W481 HydrophobicContact CB-CZ3 4.08Å; F473-W481 HydrophobicContact CD2-CE3 4.29Å; F473-W481 HydrophobicContact CD2-CH2 4.22Å; F473-W481 AromaticContact CD2-CZ3 3.81Å; F473-W481 HydrophobicContact CD2-CZ3 3.81Å; F473-W481 HydrophobicContact CG-CH2 4.13Å; F473-W481 HydrophobicContact CG-CZ3 4.1Å; W481-S485 WeakPolarHBondContact O-CB 3.04Å; W481-S485 PolarHBondContact O-N 3.45Å; W481-V511 HydrophobicContact CB-CG1 4.31Å; W481-M514 HydrophobicContact CB-SD 3.52Å; W481-M514 VanDerWaalsContact CB-SD 3.52Å; W481-M514 HydrophobicContact CD2-CB 3.83Å; W481-M514 HydrophobicContact CD2-CG 4.42Å; W481-M514 HydrophobicContact CD2-SD 3.79Å; W481-M514 HydrophobicContact CE3-CB 3.63Å; W481-M514 HydrophobicContact CE3-SD 4.34Å; W481-M514 HydrophobicContact CG-CB 4.48Å; W481-M514 HydrophobicContact CG-SD 3.41Å; W481-M514 HydrophobicContact CH2-CB 4.26Å; W481-M514 HydrophobicContact CZ2-CB 4.39Å; W481-M514 HydrophobicContact CZ3-CB 3.86Å; W481-D516 HydrophobicContact CH2-CB 4.38Å; W481-Q523 HydrophobicContact CE3-CB 4.08Å; W481-Q523 HydrophobicContact CZ3-CB 4.26Å |
| 482 | Y | 88.1 | Confident | 77.8 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 1% | 0.012 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.6 | -52.6 | -179.4 | 172.7 | -115.9 | 0 | 0 | 0 | 112.8 | G463 T480 S485 L486 V507 P525 | G463-Y482 VanDerWaalsContact CA-OH 3.31Å; G463-Y482 WeakPolarHBondContact CA-OH 3.31Å; G463-Y482 PolarHBondContact O-OH 3.29Å; T480-Y482 PolarHBondContact O-N 3.34Å; Y482-S485 PolarHBondContact O-N 2.92Å; Y482-L486 VanDerWaalsContact O-CB 3.31Å; Y482-L486 WeakPolarHBondContact O-CB 3.12Å; Y482-L486 PolarHBondContact O-N 2.68Å; Y482-V507 HydrophobicContact CD2-CG1 3.73Å; Y482-V507 HydrophobicContact CE2-CG1 3.86Å; Y482-P525 HydrophobicContact CD2-CB 3.75Å; Y482-P525 HydrophobicContact CD2-CG 3.8Å; Y482-P525 HydrophobicContact CE2-CB 3.89Å; Y482-P525 HydrophobicContact CE2-CG 4.39Å |
| 483 | I | 91.9 | Very high | 80.1 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.6 | -42.4 | -177 | -63.6 | -59.1 | 0 | 0 | 0 | 111.2 | D328 L332 L377 Q420 T480 S485 L486 C487 | D328-I483 HydrophobicContact CB-CB 4.04Å; D328-I483 HydrophobicContact CB-CG1 4.32Å; D328-I483 HydrophobicContact CB-CG2 3.71Å; L332-I483 HydrophobicContact CD1-CD1 4.21Å; L332-I483 HydrophobicContact CD1-CG2 3.87Å; L332-I483 HydrophobicContact CD2-CD1 4.39Å; L332-I483 HydrophobicContact CD2-CG2 3.95Å; L332-I483 HydrophobicContact CG-CG2 3.62Å; L377-I483 HydrophobicContact CD2-CD1 4.11Å; L377-I483 HydrophobicContact CD2-CG1 3.97Å; Q420-I483 HydrophobicContact CB-CD1 4.15Å; Q420-I483 HydrophobicContact CB-CG1 3.95Å; Q420-I483 HydrophobicContact CG-CG1 4.14Å; T480-I483 PolarHBondContact O-N 2.75Å; T480-I483 WeakPolarHBondContact OG1-CB 3.27Å; T480-I483 WeakPolarHBondContact OG1-CG1 3.32Å; I483-S485 VanDerWaalsContact C-N 3.33Å; I483-S485 PolarHBondContact O-N 3.19Å; I483-L486 PolarHBondContact O-N 2.99Å; I483-C487 WeakPolarHBondContact O-CB 3.45Å; I483-C487 PolarHBondContact O-N 3.1Å; I483-C487 PolarHBondContact O-SG 2.86Å; I483-C487 VanDerWaalsContact O-SG 3.38Å |
| 484 | Q | 89.4 | Confident | 82.1 | Confident | 39 Ų | 39 | 40.6 Ų | 40.6 | 18% | 0.182 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.8 | -42.7 | 177.2 | -63.5 | -57.4 | -45.7 | 0 | 0 | 111.5 | D328 S478 T480 K488 | D328-Q484 PolarHBondContact OD1-NE2 3.02Å; S478-Q484 WeakPolarHBondContact O-CG 3.12Å; T480-Q484 WeakPolarHBondContact O-CB 3.26Å; T480-Q484 VanDerWaalsContact O-CG 3.22Å; T480-Q484 WeakPolarHBondContact O-CG 3.43Å; T480-Q484 PolarHBondContact O-N 3.18Å; Q484-K488 VanDerWaalsContact O-CB 3.28Å; Q484-K488 WeakPolarHBondContact O-CB 3.32Å; Q484-K488 PolarHBondContact O-N 3.08Å |
| 485 | S | 93.1 | Very high | 83.9 | Confident | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.8 | -43.6 | 174.6 | -176 | 0 | 0 | 0 | 0 | 111.9 | W481 Y482 I483 K488 N489 D510 | W481-S485 WeakPolarHBondContact O-CB 3.04Å; W481-S485 PolarHBondContact O-N 3.45Å; Y482-S485 PolarHBondContact O-N 2.92Å; I483-S485 VanDerWaalsContact C-N 3.33Å; I483-S485 PolarHBondContact O-N 3.19Å; S485-K488 PolarHBondContact O-N 3.47Å; S485-N489 WeakPolarHBondContact O-CB 3.42Å; S485-N489 PolarHBondContact O-N 2.96Å; S485-N489 PolarHBondContact O-ND2 2.9Å; S485-N489 PolarHBondContact OG-ND2 2.94Å; S485-D510 VanDerWaalsContact OG-CB 3.25Å; S485-D510 WeakPolarHBondContact OG-CB 3.46Å |
| 486 | L | 95.7 | Very high | 86.1 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.1 | -54.2 | 176.1 | 174.2 | 62.3 | 0 | 0 | 0 | 111.3 | F418 Y482 I483 K488 N489 L490 L504 V507 | F418-L486 HydrophobicContact CB-CD2 4.24Å; F418-L486 HydrophobicContact CD1-CD2 3.68Å; F418-L486 HydrophobicContact CD2-CD2 4.36Å; F418-L486 HydrophobicContact CE1-CD1 4.25Å; F418-L486 HydrophobicContact CE1-CD2 4.09Å; F418-L486 HydrophobicContact CG-CD2 3.83Å; Y482-L486 VanDerWaalsContact O-CB 3.31Å; Y482-L486 WeakPolarHBondContact O-CB 3.12Å; Y482-L486 PolarHBondContact O-N 2.68Å; I483-L486 PolarHBondContact O-N 2.99Å; L486-K488 PolarHBondContact O-N 3.21Å; L486-N489 PolarHBondContact O-N 3.2Å; L486-L490 HydrophobicContact CD1-CD1 3.92Å; L486-L490 HydrophobicContact CD1-CG 4.15Å; L486-L490 HydrophobicContact CG-CD1 3.99Å; L486-L490 WeakPolarHBondContact O-CG 3.49Å; L486-L490 PolarHBondContact O-N 3.43Å; L486-L504 HydrophobicContact CD1-CD2 3.67Å; L486-V507 HydrophobicContact CB-CG2 4.38Å; L486-V507 HydrophobicContact CD1-CG2 4.36Å |
| 487 | C | 96.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.2 | -44.1 | -178.7 | -71.4 | 0 | 0 | 0 | 0 | 112 | A331 V335 I483 L490 I491 I547 | A331-C487 HydrophobicContact CB-CB 4.41Å; V335-C487 HydrophobicContact CG2-CB 3.79Å; I483-C487 WeakPolarHBondContact O-CB 3.45Å; I483-C487 PolarHBondContact O-N 3.1Å; I483-C487 PolarHBondContact O-SG 2.86Å; I483-C487 VanDerWaalsContact O-SG 3.38Å; C487-L490 PolarHBondContact O-N 3.25Å; C487-I491 WeakPolarHBondContact O-CG1 3.22Å; C487-I491 PolarHBondContact O-N 2.59Å; C487-I547 HydrophobicContact CB-CD1 3.57Å |
| 488 | K | 95.5 | Very high | 90.5 | Very high | 129 Ų | 129 | 41.6 Ų | 41.6 | 56% | 0.561 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -60.7 | -46.4 | 176.7 | -176.8 | -176.2 | 174.7 | -171.2 | 0 | 112 | Q484 S485 L486 I491 E492 | Q484-K488 VanDerWaalsContact O-CB 3.28Å; Q484-K488 WeakPolarHBondContact O-CB 3.32Å; Q484-K488 PolarHBondContact O-N 3.08Å; S485-K488 PolarHBondContact O-N 3.47Å; L486-K488 PolarHBondContact O-N 3.21Å; K488-I491 WeakPolarHBondContact O-CB 3.28Å; K488-I491 PolarHBondContact O-N 3.33Å; K488-E492 WeakPolarHBondContact O-CB 3.46Å; K488-E492 PolarHBondContact O-N 2.95Å |
| 489 | N | 96.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -70.7 | -33.7 | -178.8 | -77.4 | -73 | 0 | 0 | 0 | 112.2 | S485 L486 E492 F493 I503 K506 V507 D510 | S485-N489 WeakPolarHBondContact O-CB 3.42Å; S485-N489 PolarHBondContact O-N 2.96Å; S485-N489 PolarHBondContact O-ND2 2.9Å; S485-N489 PolarHBondContact OG-ND2 2.94Å; L486-N489 PolarHBondContact O-N 3.2Å; N489-E492 PolarHBondContact O-N 2.71Å; N489-F493 HydrophobicContact CB-CD2 4.16Å; N489-F493 WeakPolarHBondContact O-CB 3.48Å; N489-F493 WeakPolarHBondContact O-CD2 3.49Å; N489-F493 PolarHBondContact O-N 3.45Å; N489-F493 VanDerWaalsContact OD1-CE2 3.24Å; N489-F493 WeakPolarHBondContact OD1-CE2 3.5Å; N489-I503 HydrophobicContact CB-CG2 3.94Å; N489-K506 WeakPolarHBondContact OD1-CG 3.5Å; N489-V507 HydrophobicContact CB-CG2 4.04Å; N489-D510 PolarHBondContact ND2-OD2 2.93Å |
| 490 | L | 97.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.5 | -46.4 | 170.6 | -73.7 | 169.3 | 0 | 0 | 0 | 111.2 | V335 F336 L486 C487 E492 V494 L500 I503 F537 | V335-L490 HydrophobicContact CG1-CB 3.93Å; V335-L490 HydrophobicContact CG1-CD1 3.87Å; F336-L490 HydrophobicContact CZ-CD1 4.24Å; L486-L490 HydrophobicContact CD1-CD1 3.92Å; L486-L490 HydrophobicContact CD1-CG 4.15Å; L486-L490 HydrophobicContact CG-CD1 3.99Å; L486-L490 WeakPolarHBondContact O-CG 3.49Å; L486-L490 PolarHBondContact O-N 3.43Å; C487-L490 PolarHBondContact O-N 3.25Å; L490-E492 VanDerWaalsContact C-N 3.33Å; L490-E492 PolarHBondContact O-N 2.77Å; L490-V494 HydrophobicContact CD2-CG2 4.23Å; L490-V494 WeakPolarHBondContact O-CB 3.39Å; L490-V494 WeakPolarHBondContact O-CG2 3.46Å; L490-V494 PolarHBondContact O-N 3.23Å; L490-L500 HydrophobicContact CD2-CD1 4.16Å; L490-I503 HydrophobicContact CD2-CD1 4.29Å; L490-I503 HydrophobicContact CD2-CG2 4.2Å; L490-I503 HydrophobicContact CG-CG2 4.45Å; L490-F537 HydrophobicContact CD2-CD2 4.46Å; L490-F537 HydrophobicContact CD2-CE2 4.15Å |
| 491 | I | 97 | Very high | 94.3 | Very high | 32 Ų | 32 | 41.8 Ų | 41.8 | 16% | 0.164 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.8 | -44.6 | 176 | -74.5 | 163.7 | 0 | 0 | 0 | 111.9 | V335 W338 C487 K488 P495 P544 P545 I547 | V335-I491 HydrophobicContact CG2-CD1 3.99Å; V335-I491 HydrophobicContact CG2-CG1 4.12Å; W338-I491 HydrophobicContact CZ3-CG1 4.3Å; C487-I491 WeakPolarHBondContact O-CG1 3.22Å; C487-I491 PolarHBondContact O-N 2.59Å; K488-I491 WeakPolarHBondContact O-CB 3.28Å; K488-I491 PolarHBondContact O-N 3.33Å; I491-P495 WeakPolarHBondContact O-CD 3.27Å; I491-P495 WeakPolarHBondContact O-CG 3.46Å; I491-P544 HydrophobicContact CG2-CB 3.71Å; I491-P545 HydrophobicContact CD1-CG 4.02Å; I491-P545 HydrophobicContact CG1-CG 4.22Å; I491-I547 HydrophobicContact CD1-CD1 3.36Å; I491-I547 HydrophobicContact CD1-CG1 3.69Å |
| 492 | E | 95.8 | Very high | 94.9 | Very high | 88 Ų | 88 | 42.6 Ų | 42.6 | 41% | 0.411 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -73.5 | -40.2 | -174.1 | -174.9 | 174.5 | 165.4 | 0 | 0 | 112.8 | K488 N489 L490 | K488-E492 WeakPolarHBondContact O-CB 3.46Å; K488-E492 PolarHBondContact O-N 2.95Å; N489-E492 PolarHBondContact O-N 2.71Å; L490-E492 VanDerWaalsContact C-N 3.33Å; L490-E492 PolarHBondContact O-N 2.77Å |
| 493 | F | 96.7 | Very high | 95.3 | Very high | 31 Ų | 31 | 42.5 Ų | 42.5 | 14% | 0.136 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -105.8 | -19.8 | -165.9 | -70 | -71.7 | 0 | 0 | 0 | 114.8 | N489 R496 R497 V498 I503 K506 | N489-F493 HydrophobicContact CB-CD2 4.16Å; N489-F493 WeakPolarHBondContact O-CB 3.48Å; N489-F493 WeakPolarHBondContact O-CD2 3.49Å; N489-F493 PolarHBondContact O-N 3.45Å; N489-F493 VanDerWaalsContact OD1-CE2 3.24Å; N489-F493 WeakPolarHBondContact OD1-CE2 3.5Å; F493-R496 CarbonylContact O-C 3.58Å; F493-R496 WeakPolarHBondContact O-CA 3.48Å; F493-R496 WeakPolarHBondContact O-CB 3.41Å; F493-R496 PolarHBondContact O-N 3.38Å; F493-R496 VanDerWaalsContact O-N 3.08Å; F493-R497 PolarHBondContact O-N 3.47Å; F493-V498 HydrophobicContact CB-CB 4.04Å; F493-V498 HydrophobicContact CB-CG2 4.22Å; F493-V498 HydrophobicContact CD1-CG2 4.02Å; F493-V498 PolarHBondContact O-N 2.72Å; F493-I503 HydrophobicContact CB-CD1 3.95Å; F493-I503 HydrophobicContact CB-CG1 3.77Å; F493-K506 HydrophobicContact CE2-CG 3.9Å; F493-K506 HydrophobicContact CZ-CG 4.4Å |
| 494 | V | 95.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -60.4 | -44.2 | 172.2 | 168.5 | 0 | 0 | 0 | 0 | 112.2 | W338 L339 L490 R496 R497 I503 F537 | W338-V494 HydrophobicContact CH2-CB 4.2Å; W338-V494 HydrophobicContact CH2-CG1 4.29Å; W338-V494 HydrophobicContact CZ3-CB 4.41Å; L339-V494 HydrophobicContact CD2-CB 4.3Å; L339-V494 HydrophobicContact CD2-CG1 3.81Å; L339-V494 HydrophobicContact CD2-CG2 4.01Å; L490-V494 HydrophobicContact CD2-CG2 4.23Å; L490-V494 WeakPolarHBondContact O-CB 3.39Å; L490-V494 WeakPolarHBondContact O-CG2 3.46Å; L490-V494 PolarHBondContact O-N 3.23Å; V494-R496 PolarHBondContact O-N 2.98Å; V494-R497 PolarHBondContact O-N 3.24Å; V494-I503 HydrophobicContact CG2-CD1 4.21Å; V494-F537 HydrophobicContact CG1-CB 3.76Å; V494-F537 HydrophobicContact CG2-CB 3.99Å; V494-F537 HydrophobicContact CG2-CD2 3.98Å; V494-F537 HydrophobicContact CG2-CG 4.32Å |
| 495 | P | 95.6 | Very high | 95.5 | Very high | 53 Ų | 53 | 44.6 Ų | 44.6 | 34% | 0.344 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -60 | -22.2 | 175.2 | -25.1 | 36.9 | 0 | 0 | 0 | 113.6 | W338 I491 V539 | W338-P495 HydrophobicContact CH2-CG 4.15Å; W338-P495 HydrophobicContact CZ2-CG 4.39Å; I491-P495 WeakPolarHBondContact O-CD 3.27Å; I491-P495 WeakPolarHBondContact O-CG 3.46Å; P495-V539 HydrophobicContact CB-CG1 4.33Å |
| 496 | R | 95.4 | Very high | 95.5 | Very high | 165 Ų | 165 | 47.7 Ų | 47.7 | 62% | 0.623 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -92.1 | 2.9 | 178.4 | -56.3 | 175.2 | 64.6 | 176.4 | 1.3 | 112.9 | F493 V494 V498 | F493-R496 CarbonylContact O-C 3.58Å; F493-R496 WeakPolarHBondContact O-CA 3.48Å; F493-R496 WeakPolarHBondContact O-CB 3.41Å; F493-R496 PolarHBondContact O-N 3.38Å; F493-R496 VanDerWaalsContact O-N 3.08Å; V494-R496 PolarHBondContact O-N 2.98Å; R496-V498 HydrophobicContact CB-CG2 4.1Å; R496-V498 PolarHBondContact O-N 3.47Å |
| 497 | R | 93.8 | Very high | 95.2 | Very high | 183 Ų | 183 | 47.7 Ų | 47.7 | 69% | 0.691 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 33.9 | -179.8 | -57.5 | -172.5 | 173.7 | -144 | -0.5 | 114.1 | F493 V494 V536 V539 | F493-R497 PolarHBondContact O-N 3.47Å; V494-R497 PolarHBondContact O-N 3.24Å; R497-V536 HydrophobicContact CB-CG1 4.08Å; R497-V539 HydrophobicContact CG-CG2 4.12Å |
| 498 | V | 95.2 | Very high | 94.8 | Very high | 41 Ų | 41 | 48.9 Ų | 48.9 | 25% | 0.248 | 23% | 0.234 | C | C | . | . | trans | -77.4 | 140.1 | 174.4 | 178.4 | 0 | 0 | 0 | 0 | 108.8 | F493 R496 I503 | F493-V498 HydrophobicContact CB-CB 4.04Å; F493-V498 HydrophobicContact CB-CG2 4.22Å; F493-V498 HydrophobicContact CD1-CG2 4.02Å; F493-V498 PolarHBondContact O-N 2.72Å; R496-V498 HydrophobicContact CB-CG2 4.1Å; R496-V498 PolarHBondContact O-N 3.47Å; V498-I503 HydrophobicContact CB-CG1 4.26Å; V498-I503 HydrophobicContact CG1-CG1 3.94Å | ||
| 499 | D | 95.3 | Very high | 94.3 | Very high | 30 Ų | 30 | 48.6 Ų | 48.6 | 16% | 0.16 | 23% | 0.233 | C | C | . | . | trans | -70.6 | 154.5 | 179 | 76.3 | 90.7 | 0 | 0 | 0 | 112.1 | V501 S502 I503 R534 V535 V536 | D499-V501 VanDerWaalsContact C-N 3.31Å; D499-V501 PolarHBondContact O-N 3.31Å; D499-V501 WeakPolarHBondContact OD1-CA 3.1Å; D499-V501 WeakPolarHBondContact OD1-CB 3.03Å; D499-V501 PolarHBondContact OD1-N 3.43Å; D499-S502 WeakPolarHBondContact O-CB 3.25Å; D499-S502 PolarHBondContact O-N 3.46Å; D499-S502 PolarHBondContact OD1-N 3.24Å; D499-S502 VanDerWaalsContact OD2-CB 3.22Å; D499-S502 WeakPolarHBondContact OD2-CB 3.05Å; D499-S502 PolarHBondContact OD2-OG 3.27Å; D499-I503 WeakPolarHBondContact O-CG1 3.37Å; D499-I503 PolarHBondContact O-N 2.69Å; D499-R534 HydrophobicContact CB-CB 4.12Å; D499-V535 CarbonylContact C-O 3.51Å; D499-V535 WeakPolarHBondContact CA-O 3.49Å; D499-V536 HydrophobicContact CB-CG2 3.99Å | ||
| 500 | L | 96.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.4 | -35.4 | -175.6 | 178.8 | 58.6 | 0 | 0 | 0 | 113.5 | M416 F418 L461 L490 I503 L504 V535 F537 | M416-L500 HydrophobicContact CG-CD2 4.13Å; M416-L500 HydrophobicContact SD-CD2 3.3Å; M416-L500 WeakPolarHBondContact SD-CD2 3.31Å; F418-L500 HydrophobicContact CZ-CD1 4.39Å; F418-L500 HydrophobicContact CZ-CD2 4.28Å; L461-L500 HydrophobicContact CD1-CD2 4.01Å; L461-L500 HydrophobicContact CD1-CG 4.31Å; L490-L500 HydrophobicContact CD2-CD1 4.16Å; L500-I503 WeakPolarHBondContact O-CB 3.47Å; L500-I503 PolarHBondContact O-N 2.99Å; L500-L504 HydrophobicContact CD1-CD1 4.26Å; L500-L504 HydrophobicContact CD1-CG 4.06Å; L500-L504 HydrophobicContact CG-CD1 4.11Å; L500-L504 HydrophobicContact CG-CG 4.36Å; L500-L504 VanDerWaalsContact O-CG 3.28Å; L500-L504 WeakPolarHBondContact O-CG 3.49Å; L500-L504 PolarHBondContact O-N 3.47Å; L500-V535 HydrophobicContact CB-CB 4Å; L500-V535 HydrophobicContact CB-CG1 4.26Å; L500-V535 HydrophobicContact CD2-CB 4.45Å; L500-V535 HydrophobicContact CD2-CG1 4.28Å; L500-V535 PolarHBondContact N-O 2.88Å; L500-F537 HydrophobicContact CB-CE2 4.36Å; L500-F537 HydrophobicContact CD1-CE2 4.21Å; L500-F537 HydrophobicContact CD2-CE2 4.33Å |
| 501 | V | 95.8 | Very high | 93.1 | Very high | 40 Ų | 40 | 49.8 Ų | 49.8 | 24% | 0.242 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.3 | -40.1 | -179.4 | 178.2 | 0 | 0 | 0 | 0 | 109.9 | L461 D499 L504 T505 F529 L531 | L461-V501 HydrophobicContact CD1-CG2 4.35Å; D499-V501 VanDerWaalsContact C-N 3.31Å; D499-V501 PolarHBondContact O-N 3.31Å; D499-V501 WeakPolarHBondContact OD1-CA 3.1Å; D499-V501 WeakPolarHBondContact OD1-CB 3.03Å; D499-V501 PolarHBondContact OD1-N 3.43Å; V501-L504 PolarHBondContact O-N 2.93Å; V501-T505 PolarHBondContact O-N 3.3Å; V501-T505 PolarHBondContact O-OG1 2.81Å; V501-F529 HydrophobicContact CG1-CE1 3.93Å; V501-F529 HydrophobicContact CG1-CZ 4.15Å; V501-F529 HydrophobicContact CG2-CD1 4.44Å; V501-F529 HydrophobicContact CG2-CE1 4.28Å; V501-F529 HydrophobicContact CG2-CZ 4.45Å; V501-L531 HydrophobicContact CG2-CD1 4.22Å |
| 502 | S | 95.4 | Very high | 92.3 | Very high | 55 Ų | 55 | 50.2 Ų | 50.2 | 39% | 0.385 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62 | -41.6 | 171.1 | -65.8 | 0 | 0 | 0 | 0 | 112.2 | D499 T505 K506 | D499-S502 WeakPolarHBondContact O-CB 3.25Å; D499-S502 PolarHBondContact O-N 3.46Å; D499-S502 PolarHBondContact OD1-N 3.24Å; D499-S502 VanDerWaalsContact OD2-CB 3.22Å; D499-S502 WeakPolarHBondContact OD2-CB 3.05Å; D499-S502 PolarHBondContact OD2-OG 3.27Å; S502-T505 WeakPolarHBondContact O-CB 3.48Å; S502-T505 PolarHBondContact O-N 3.35Å; S502-K506 PolarHBondContact O-N 3.19Å; S502-K506 VanDerWaalsContact O-N 3.1Å |
| 503 | I | 96.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60 | -46.7 | 174 | -68.7 | 173.8 | 0 | 0 | 0 | 110.7 | N489 L490 F493 V494 V498 D499 L500 T505 K506 V507 | N489-I503 HydrophobicContact CB-CG2 3.94Å; L490-I503 HydrophobicContact CD2-CD1 4.29Å; L490-I503 HydrophobicContact CD2-CG2 4.2Å; L490-I503 HydrophobicContact CG-CG2 4.45Å; F493-I503 HydrophobicContact CB-CD1 3.95Å; F493-I503 HydrophobicContact CB-CG1 3.77Å; V494-I503 HydrophobicContact CG2-CD1 4.21Å; V498-I503 HydrophobicContact CB-CG1 4.26Å; V498-I503 HydrophobicContact CG1-CG1 3.94Å; D499-I503 WeakPolarHBondContact O-CG1 3.37Å; D499-I503 PolarHBondContact O-N 2.69Å; L500-I503 WeakPolarHBondContact O-CB 3.47Å; L500-I503 PolarHBondContact O-N 2.99Å; I503-T505 VanDerWaalsContact C-N 3.27Å; I503-T505 PolarHBondContact O-N 2.87Å; I503-K506 WeakPolarHBondContact O-CA 3.33Å; I503-K506 WeakPolarHBondContact O-CB 3.48Å; I503-K506 PolarHBondContact O-N 2.99Å; I503-K506 VanDerWaalsContact O-N 3.08Å; I503-V507 WeakPolarHBondContact O-CG2 3.37Å; I503-V507 PolarHBondContact O-N 3.17Å |
| 504 | L | 94.6 | Very high | 90.2 | Very high | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.4 | -29.9 | 178.1 | -67.9 | 173.3 | 0 | 0 | 0 | 112.7 | F418 L461 L486 L500 V501 K506 V507 N508 P527 | F418-L504 HydrophobicContact CE1-CD1 4.44Å; F418-L504 HydrophobicContact CE1-CD2 4.09Å; L461-L504 HydrophobicContact CD1-CD1 3.76Å; L461-L504 HydrophobicContact CD2-CD1 3.83Å; L461-L504 HydrophobicContact CG-CD1 4.31Å; L486-L504 HydrophobicContact CD1-CD2 3.67Å; L500-L504 HydrophobicContact CD1-CD1 4.26Å; L500-L504 HydrophobicContact CD1-CG 4.06Å; L500-L504 HydrophobicContact CG-CD1 4.11Å; L500-L504 HydrophobicContact CG-CG 4.36Å; L500-L504 VanDerWaalsContact O-CG 3.28Å; L500-L504 WeakPolarHBondContact O-CG 3.49Å; L500-L504 PolarHBondContact O-N 3.47Å; V501-L504 PolarHBondContact O-N 2.93Å; L504-K506 VanDerWaalsContact C-N 3.3Å; L504-K506 PolarHBondContact O-N 2.88Å; L504-V507 WeakPolarHBondContact O-CB 3.46Å; L504-V507 PolarHBondContact O-N 2.88Å; L504-N508 PolarHBondContact O-N 3.02Å; L504-N508 PolarHBondContact O-OD1 3.17Å; L504-P527 HydrophobicContact CB-CG 4.45Å; L504-P527 HydrophobicContact CD1-CB 4.1Å |
| 505 | T | 91.3 | Very high | 88.8 | Confident | 82 Ų | 82 | 53 Ų | 53 | 50% | 0.503 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.5 | -39.9 | 171.5 | -57.1 | 0 | 0 | 0 | 0 | 110.8 | V501 S502 I503 N508 F509 | V501-T505 PolarHBondContact O-N 3.3Å; V501-T505 PolarHBondContact O-OG1 2.81Å; S502-T505 WeakPolarHBondContact O-CB 3.48Å; S502-T505 PolarHBondContact O-N 3.35Å; I503-T505 VanDerWaalsContact C-N 3.27Å; I503-T505 PolarHBondContact O-N 2.87Å; T505-N508 WeakPolarHBondContact O-CB 3.47Å; T505-N508 PolarHBondContact O-N 3.39Å; T505-F509 PolarHBondContact O-N 2.8Å; T505-F509 VanDerWaalsContact O-N 3.09Å |
| 506 | K | 92.6 | Very high | 87.3 | Confident | 68 Ų | 68 | 51.9 Ų | 51.9 | 30% | 0.296 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.5 | -37.1 | 172.6 | -179.1 | 57.2 | 174.7 | 146.7 | 0 | 112.2 | N489 F493 S502 I503 L504 N508 F509 D510 | N489-K506 WeakPolarHBondContact OD1-CG 3.5Å; F493-K506 HydrophobicContact CE2-CG 3.9Å; F493-K506 HydrophobicContact CZ-CG 4.4Å; S502-K506 PolarHBondContact O-N 3.19Å; S502-K506 VanDerWaalsContact O-N 3.1Å; I503-K506 WeakPolarHBondContact O-CA 3.33Å; I503-K506 WeakPolarHBondContact O-CB 3.48Å; I503-K506 PolarHBondContact O-N 2.99Å; I503-K506 VanDerWaalsContact O-N 3.08Å; L504-K506 VanDerWaalsContact C-N 3.3Å; L504-K506 PolarHBondContact O-N 2.88Å; K506-N508 VanDerWaalsContact C-N 3.32Å; K506-N508 PolarHBondContact O-N 3.46Å; K506-F509 HydrophobicContact CD-CB 4.49Å; K506-F509 HydrophobicContact CD-CD1 4.23Å; K506-F509 VanDerWaalsContact NZ-CD1 3.26Å; K506-F509 WeakPolarHBondContact O-CB 3.31Å; K506-F509 PolarHBondContact O-N 3.31Å; K506-D510 WeakPolarHBondContact CE-OD1 3.27Å; K506-D510 IonicContact NZ-OD1 3.64Å; K506-D510 PolarHBondContact NZ-OD1 2.94Å; K506-D510 PolarHBondContact O-N 3.03Å |
| 507 | V | 91.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.3 | -43.5 | 171.6 | 175 | 0 | 0 | 0 | 0 | 111.1 | Y482 L486 N489 I503 L504 F509 D510 V511 | Y482-V507 HydrophobicContact CD2-CG1 3.73Å; Y482-V507 HydrophobicContact CE2-CG1 3.86Å; L486-V507 HydrophobicContact CB-CG2 4.38Å; L486-V507 HydrophobicContact CD1-CG2 4.36Å; N489-V507 HydrophobicContact CB-CG2 4.04Å; I503-V507 WeakPolarHBondContact O-CG2 3.37Å; I503-V507 PolarHBondContact O-N 3.17Å; L504-V507 WeakPolarHBondContact O-CB 3.46Å; L504-V507 PolarHBondContact O-N 2.88Å; V507-F509 VanDerWaalsContact C-N 3.32Å; V507-F509 PolarHBondContact O-N 3.48Å; V507-D510 PolarHBondContact O-N 3.12Å; V507-V511 HydrophobicContact CG1-CG2 4.11Å; V507-V511 WeakPolarHBondContact O-CB 3.29Å; V507-V511 VanDerWaalsContact O-CG2 3.29Å; V507-V511 WeakPolarHBondContact O-CG2 3.23Å; V507-V511 PolarHBondContact O-N 3.11Å |
| 508 | N | 87.2 | Confident | 82.5 | Confident | 24 Ų | 24 | 48.7 Ų | 48.7 | 13% | 0.128 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.9 | -44.8 | 175.2 | -68.4 | -5.5 | 0 | 0 | 0 | 111.4 | L504 T505 K506 S512 M524 P525 | L504-N508 PolarHBondContact O-N 3.02Å; L504-N508 PolarHBondContact O-OD1 3.17Å; T505-N508 WeakPolarHBondContact O-CB 3.47Å; T505-N508 PolarHBondContact O-N 3.39Å; K506-N508 VanDerWaalsContact C-N 3.32Å; K506-N508 PolarHBondContact O-N 3.46Å; N508-S512 WeakPolarHBondContact O-CB 3.31Å; N508-S512 PolarHBondContact O-N 3.45Å; N508-S512 PolarHBondContact O-OG 2.95Å; N508-M524 HydrophobicContact CB-CE 4.05Å; N508-M524 HydrophobicContact CB-SD 4.39Å; N508-P525 WeakPolarHBondContact OD1-CB 3.4Å; N508-P525 PolarHBondContact OD1-O 3.21Å |
| 509 | F | 85.6 | Confident | 80.6 | Confident | 123 Ų | 123 | 56 Ų | 56 | 54% | 0.539 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61 | -46.2 | 176.4 | 174.9 | -87.9 | 0 | 0 | 0 | 112.2 | T505 K506 V507 S512 S513 | T505-F509 PolarHBondContact O-N 2.8Å; T505-F509 VanDerWaalsContact O-N 3.09Å; K506-F509 HydrophobicContact CD-CB 4.49Å; K506-F509 HydrophobicContact CD-CD1 4.23Å; K506-F509 VanDerWaalsContact NZ-CD1 3.26Å; K506-F509 WeakPolarHBondContact O-CB 3.31Å; K506-F509 PolarHBondContact O-N 3.31Å; V507-F509 VanDerWaalsContact C-N 3.32Å; V507-F509 PolarHBondContact O-N 3.48Å; F509-S512 PolarHBondContact O-OG 2.93Å; F509-S512 VanDerWaalsContact O-OG 3.07Å; F509-S513 VanDerWaalsContact O-CB 3.26Å; F509-S513 WeakPolarHBondContact O-CB 3.25Å; F509-S513 PolarHBondContact O-N 2.9Å; F509-S513 PolarHBondContact O-OG 2.68Å |
| 510 | D | 85.6 | Confident | 78.4 | Confident | 26 Ų | 26 | 59.3 Ų | 59.3 | 14% | 0.139 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.2 | -49.8 | -178.6 | -75.1 | -10.3 | 0 | 0 | 0 | 111.1 | S485 N489 K506 V507 S513 M514 | S485-D510 VanDerWaalsContact OG-CB 3.25Å; S485-D510 WeakPolarHBondContact OG-CB 3.46Å; N489-D510 PolarHBondContact ND2-OD2 2.93Å; K506-D510 WeakPolarHBondContact CE-OD1 3.27Å; K506-D510 IonicContact NZ-OD1 3.64Å; K506-D510 PolarHBondContact NZ-OD1 2.94Å; K506-D510 PolarHBondContact O-N 3.03Å; V507-D510 PolarHBondContact O-N 3.12Å; D510-S513 WeakPolarHBondContact O-CB 3.39Å; D510-S513 PolarHBondContact O-N 3.23Å; D510-S513 VanDerWaalsContact O-N 3.15Å; D510-M514 WeakPolarHBondContact O-CG 3.38Å; D510-M514 PolarHBondContact O-N 2.77Å; D510-M514 VanDerWaalsContact O-N 3.13Å |
| 511 | V | 81.8 | Confident | 76.5 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.1 | -40.3 | -177.4 | -180 | 0 | 0 | 0 | 0 | 111.5 | W481 V507 S513 M514 Q523 P525 | W481-V511 HydrophobicContact CB-CG1 4.31Å; V507-V511 HydrophobicContact CG1-CG2 4.11Å; V507-V511 WeakPolarHBondContact O-CB 3.29Å; V507-V511 VanDerWaalsContact O-CG2 3.29Å; V507-V511 WeakPolarHBondContact O-CG2 3.23Å; V507-V511 PolarHBondContact O-N 3.11Å; V511-S513 PolarHBondContact O-N 2.72Å; V511-M514 PolarHBondContact O-N 3.24Å; V511-Q523 CarbonylContact C-O 3.45Å; V511-Q523 HydrophobicContact CG1-CB 3.66Å; V511-Q523 HydrophobicContact CG1-CG 3.63Å; V511-P525 HydrophobicContact CB-CG 3.63Å; V511-P525 HydrophobicContact CG1-CG 3.68Å; V511-P525 HydrophobicContact CG2-CG 3.84Å |
| 512 | S | 80.3 | Confident | 75.4 | Confident | 41 Ų | 41 | 61.7 Ų | 61.7 | 29% | 0.287 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.2 | -22.3 | 174.1 | 62.9 | 0 | 0 | 0 | 0 | 113.1 | N508 F509 K522 Q523 | N508-S512 WeakPolarHBondContact O-CB 3.31Å; N508-S512 PolarHBondContact O-N 3.45Å; N508-S512 PolarHBondContact O-OG 2.95Å; F509-S512 PolarHBondContact O-OG 2.93Å; F509-S512 VanDerWaalsContact O-OG 3.07Å; S512-K522 VanDerWaalsContact O-CD 3.32Å; S512-K522 WeakPolarHBondContact O-CD 3.3Å; S512-K522 WeakPolarHBondContact O-CE 3.46Å; S512-K522 PolarHBondContact O-NZ 3.29Å; S512-Q523 VanDerWaalsContact CA-O 3.22Å; S512-Q523 WeakPolarHBondContact CA-O 3.42Å; S512-Q523 PolarHBondContact N-O 3.43Å |
| 513 | S | 75.8 | Confident | 74.3 | Confident | 63 Ų | 63 | 59.1 Ų | 59.1 | 44% | 0.441 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -81.9 | -23.9 | 174.7 | -62.7 | 0 | 0 | 0 | 0 | 112.8 | F509 D510 V511 K522 | F509-S513 VanDerWaalsContact O-CB 3.26Å; F509-S513 WeakPolarHBondContact O-CB 3.25Å; F509-S513 PolarHBondContact O-N 2.9Å; F509-S513 PolarHBondContact O-OG 2.68Å; D510-S513 WeakPolarHBondContact O-CB 3.39Å; D510-S513 PolarHBondContact O-N 3.23Å; D510-S513 VanDerWaalsContact O-N 3.15Å; V511-S513 PolarHBondContact O-N 2.72Å; S513-K522 VanDerWaalsContact C-NZ 3.29Å; S513-K522 PolarHBondContact O-NZ 2.79Å |
| 514 | M | 74.4 | Confident | 73.8 | Confident | 64 Ų | 64 | 62.5 Ų | 62.5 | 32% | 0.315 | 31% | 0.306 | S | S | . | . | trans | -66.6 | 154.8 | 175.9 | -67 | 178.1 | -164.2 | 0 | 0 | 111.7 | W481 D510 V511 K522 | W481-M514 HydrophobicContact CB-SD 3.52Å; W481-M514 VanDerWaalsContact CB-SD 3.52Å; W481-M514 HydrophobicContact CD2-CB 3.83Å; W481-M514 HydrophobicContact CD2-CG 4.42Å; W481-M514 HydrophobicContact CD2-SD 3.79Å; W481-M514 HydrophobicContact CE3-CB 3.63Å; W481-M514 HydrophobicContact CE3-SD 4.34Å; W481-M514 HydrophobicContact CG-CB 4.48Å; W481-M514 HydrophobicContact CG-SD 3.41Å; W481-M514 HydrophobicContact CH2-CB 4.26Å; W481-M514 HydrophobicContact CZ2-CB 4.39Å; W481-M514 HydrophobicContact CZ3-CB 3.86Å; D510-M514 WeakPolarHBondContact O-CG 3.38Å; D510-M514 PolarHBondContact O-N 2.77Å; D510-M514 VanDerWaalsContact O-N 3.13Å; V511-M514 PolarHBondContact O-N 3.24Å; M514-K522 WeakPolarHBondContact O-CD 3.17Å; M514-K522 PolarHBondContact O-NZ 3.34Å | ||
| 515 | T | 66.2 | Low | 73.3 | Confident | 53 Ų | 53 | 62.5 Ų | 62.5 | 33% | 0.325 | 31% | 0.306 | S | S | . | . | trans | -143 | 152.8 | 173.9 | 60 | 0 | 0 | 0 | 0 | 110 | K521 K522 | T515-K521 WeakPolarHBondContact CA-O 3.45Å; T515-K522 HydrophobicContact CG2-CD 3.89Å; T515-K522 VanDerWaalsContact CG2-CE 3.46Å; T515-K522 VanDerWaalsContact CG2-NZ 3.34Å | ||
| 516 | D | 62.7 | Low | 72.7 | Confident | 29 Ų | 29 | 61.7 Ų | 61.7 | 16% | 0.155 | 30% | 0.297 | C | S | . | . | trans | -70.6 | 173.5 | 172.2 | 76.4 | -37.6 | 0 | 0 | 0 | 111 | W481 S518 R519 L520 K521 | W481-D516 HydrophobicContact CH2-CB 4.38Å; D516-S518 PolarHBondContact O-N 2.99Å; D516-S518 VanDerWaalsContact O-N 3.12Å; D516-S518 PolarHBondContact OD1-OG 3.35Å; D516-S518 WeakPolarHBondContact OD2-CB 3.41Å; D516-S518 PolarHBondContact OD2-OG 2.93Å; D516-R519 WeakPolarHBondContact O-CA 3.35Å; D516-R519 PolarHBondContact O-N 3.38Å; D516-R519 PolarHBondContact OD1-N 3.47Å; D516-R519 VanDerWaalsContact OD1-N 3.17Å; D516-L520 PolarHBondContact OD1-N 2.9Å; D516-L520 VanDerWaalsContact OD1-N 3.09Å; D516-K521 HydrophobicContact CB-CB 4.07Å; D516-K521 HydrophobicContact CB-CG 4.48Å; D516-K521 PolarHBondContact N-O 3.41Å; D516-K521 PolarHBondContact OD1-N 2.91Å | ||
| 517 | Y | 45.6 | Very low | 72.4 | Confident | 218 Ų | 218 | 60 Ų | 60 | 86% | 0.855 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -28 | -179.9 | -67.8 | -79.6 | 0 | 0 | 0 | 113.1 | R519 | Y517-R519 VanDerWaalsContact C-N 3.29Š|
| 518 | S | 42.6 | Very low | 72.2 | Confident | 62 Ų | 62 | 61 Ų | 61 | 43% | 0.434 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -11.6 | 175.5 | 77.1 | 0 | 0 | 0 | 0 | 113.7 | D516 L520 | D516-S518 PolarHBondContact O-N 2.99Å; D516-S518 VanDerWaalsContact O-N 3.12Å; D516-S518 PolarHBondContact OD1-OG 3.35Å; D516-S518 WeakPolarHBondContact OD2-CB 3.41Å; D516-S518 PolarHBondContact OD2-OG 2.93Å; S518-L520 PolarHBondContact O-N 3.23Å; S518-L520 PolarHBondContact OG-N 3.1Å |
| 519 | R | 55.4 | Low | 72.3 | Confident | 194 Ų | 194 | 64.5 Ų | 64.5 | 73% | 0.732 | 32% | 0.316 | S | S | * | . | S | Bend | trans | 60.4 | 12.4 | -172.2 | -59.2 | -173.1 | 178.5 | -169.7 | -0.2 | 115.1 | D516 Y517 | D516-R519 WeakPolarHBondContact O-CA 3.35Å; D516-R519 PolarHBondContact O-N 3.38Å; D516-R519 PolarHBondContact OD1-N 3.47Å; D516-R519 VanDerWaalsContact OD1-N 3.17Å; Y517-R519 VanDerWaalsContact C-N 3.29Å |
| 520 | L | 50.5 | Low | 72.5 | Confident | 100 Ų | 100 | 59.9 Ų | 59.9 | 52% | 0.524 | 30% | 0.299 | S | S | . | . | trans | -97.6 | -20.4 | -177.6 | -63.8 | 173.5 | 0 | 0 | 0 | 111.7 | Y429 P430 D516 S518 | Y429-L520 WeakPolarHBondContact CA-O 3.45Å; Y429-L520 HydrophobicContact CD1-CB 4.3Å; Y429-L520 WeakPolarHBondContact CD1-O 3.29Å; Y429-L520 HydrophobicContact CE1-CB 4.36Å; P430-L520 WeakPolarHBondContact CD-O 3.45Å; D516-L520 PolarHBondContact OD1-N 2.9Å; D516-L520 VanDerWaalsContact OD1-N 3.09Å; S518-L520 PolarHBondContact O-N 3.23Å; S518-L520 PolarHBondContact OG-N 3.1Å | ||
| 521 | K | 56.1 | Low | 72.8 | Confident | 53 Ų | 53 | 60 Ų | 60 | 23% | 0.23 | 30% | 0.299 | C | S | . | . | trans | -104.2 | 137.3 | -175.2 | -52.3 | -174.7 | -168.8 | -167.7 | 0 | 112.4 | Q427 Q428 F473 T515 D516 | Q427-K521 VanDerWaalsContact NE2-NZ 3.12Å; Q427-K521 VanDerWaalsContact OE1-NZ 3.12Å; Q428-K521 CarbonylContact O-C 3.59Å; Q428-K521 VanDerWaalsContact O-CA 3.31Å; Q428-K521 WeakPolarHBondContact O-CA 3.5Å; F473-K521 HydrophobicContact CE1-CB 3.93Å; F473-K521 HydrophobicContact CE1-CD 3.39Å; F473-K521 HydrophobicContact CE1-CG 4.27Å; F473-K521 HydrophobicContact CE2-CB 3.99Å; F473-K521 HydrophobicContact CZ-CB 3.47Å; F473-K521 VanDerWaalsContact CZ-CB 3.47Å; F473-K521 HydrophobicContact CZ-CD 3.54Å; F473-K521 HydrophobicContact CZ-CG 4.03Å; T515-K521 WeakPolarHBondContact CA-O 3.45Å; D516-K521 HydrophobicContact CB-CB 4.07Å; D516-K521 HydrophobicContact CB-CG 4.48Å; D516-K521 PolarHBondContact N-O 3.41Å; D516-K521 PolarHBondContact OD1-N 2.91Å | ||
| 522 | K | 71.4 | Confident | 73.2 | Confident | 37 Ų | 37 | 66.5 Ų | 66.5 | 16% | 0.161 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -120.4 | 163.4 | 175.4 | -72.6 | -58.7 | -165.4 | 168.3 | 0 | 110.5 | Q428 P430 F473 S512 S513 M514 T515 | Q428-K522 HydrophobicContact CB-CB 4.14Å; Q428-K522 WeakPolarHBondContact CB-O 3.43Å; Q428-K522 PolarHBondContact O-N 3.47Å; P430-K522 HydrophobicContact CB-CD 4.31Å; P430-K522 HydrophobicContact CB-CG 3.85Å; P430-K522 HydrophobicContact CG-CG 4.42Å; F473-K522 VanDerWaalsContact CE2-O 3.29Å; F473-K522 WeakPolarHBondContact CE2-O 3.4Å; S512-K522 VanDerWaalsContact O-CD 3.32Å; S512-K522 WeakPolarHBondContact O-CD 3.3Å; S512-K522 WeakPolarHBondContact O-CE 3.46Å; S512-K522 PolarHBondContact O-NZ 3.29Å; S513-K522 VanDerWaalsContact C-NZ 3.29Å; S513-K522 PolarHBondContact O-NZ 2.79Å; M514-K522 WeakPolarHBondContact O-CD 3.17Å; M514-K522 PolarHBondContact O-NZ 3.34Å; T515-K522 HydrophobicContact CG2-CD 3.89Å; T515-K522 VanDerWaalsContact CG2-CE 3.46Å; T515-K522 VanDerWaalsContact CG2-NZ 3.34Å |
| 523 | Q | 73.9 | Confident | 73.9 | Confident | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | trans | -137 | 136.8 | 171.3 | -178 | 177.4 | -35.5 | 0 | 0 | 109.1 | S465 F473 W481 V511 S512 | S465-Q523 PolarHBondContact O-NE2 3.35Å; F473-Q523 HydrophobicContact CD2-CB 4.07Å; W481-Q523 HydrophobicContact CE3-CB 4.08Å; W481-Q523 HydrophobicContact CZ3-CB 4.26Å; V511-Q523 CarbonylContact C-O 3.45Å; V511-Q523 HydrophobicContact CG1-CB 3.66Å; V511-Q523 HydrophobicContact CG1-CG 3.63Å; S512-Q523 VanDerWaalsContact CA-O 3.22Å; S512-Q523 WeakPolarHBondContact CA-O 3.42Å; S512-Q523 PolarHBondContact N-O 3.43Å | ||
| 524 | M | 85.3 | Confident | 74.8 | Confident | 72 Ų | 72 | 70 Ų | 70 | 36% | 0.355 | 32% | 0.323 | S | S | . | . | trans | -124.5 | 106.9 | 175 | -172.9 | 61.5 | 175.3 | 0 | 0 | 109.3 | T466 V467 N508 | T466-M524 CarbonylContact C-O 3.52Å; T466-M524 VanDerWaalsContact CA-O 3.26Å; T466-M524 WeakPolarHBondContact CA-O 3.47Å; V467-M524 HydrophobicContact CG1-CB 4.25Å; V467-M524 HydrophobicContact CG1-CG 4.21Å; V467-M524 PolarHBondContact N-O 2.66Å; N508-M524 HydrophobicContact CB-CE 4.05Å; N508-M524 HydrophobicContact CB-SD 4.39Å | ||
| 525 | P | 83.8 | Confident | 75.9 | Confident | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.013 | 31% | 0.308 | C | S | . | . | trans | -66.4 | 155 | 170.8 | -13.2 | 27.3 | 0 | 0 | 0 | 111.3 | M464 S465 Y482 N508 V511 | M464-P525 WeakPolarHBondContact O-CA 3.44Å; M464-P525 WeakPolarHBondContact O-CB 3.46Å; S465-P525 WeakPolarHBondContact O-CA 3.47Å; Y482-P525 HydrophobicContact CD2-CB 3.75Å; Y482-P525 HydrophobicContact CD2-CG 3.8Å; Y482-P525 HydrophobicContact CE2-CB 3.89Å; Y482-P525 HydrophobicContact CE2-CG 4.39Å; N508-P525 WeakPolarHBondContact OD1-CB 3.4Å; N508-P525 PolarHBondContact OD1-O 3.21Å; V511-P525 HydrophobicContact CB-CG 3.63Å; V511-P525 HydrophobicContact CG1-CG 3.68Å; V511-P525 HydrophobicContact CG2-CG 3.84Å | ||
| 526 | Q | 79.4 | Confident | 77.3 | Confident | 65 Ų | 65 | 65.6 Ų | 65.6 | 30% | 0.304 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 102.2 | -179.4 | -172.8 | 177.7 | -19.9 | 0 | 0 | 110.6 | M464 V467 | M464-Q526 PolarHBondContact N-O 3.46Å; M464-Q526 PolarHBondContact O-N 3.21Å; V467-Q526 HydrophobicContact CG1-CB 4.03Å |
| 527 | P | 85.3 | Confident | 78.9 | Confident | 33 Ų | 33 | 64.3 Ų | 64.3 | 21% | 0.214 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 138.6 | 167.2 | 30.4 | -31.9 | 0 | 0 | 0 | 110.7 | V462 L504 | V462-P527 CarbonylContact O-C 3.58Å; V462-P527 WeakPolarHBondContact O-CA 3.19Å; L504-P527 HydrophobicContact CB-CG 4.45Å; L504-P527 HydrophobicContact CD1-CB 4.1Å |
| 528 | A | 86.6 | Confident | 81.2 | Confident | 20 Ų | 20 | 56.3 Ų | 56.3 | 17% | 0.165 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 136.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | V449 L452 V462 | V449-A528 HydrophobicContact CG1-CB 4.19Å; L452-A528 HydrophobicContact CD1-CB 3.84Å; V462-A528 PolarHBondContact N-O 3.2Å; V462-A528 PolarHBondContact O-N 2.97Å |
| 529 | F | 90 | Very high | 83.6 | Confident | 99 Ų | 99 | 56.3 Ų | 56.3 | 43% | 0.434 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 154.9 | -174.8 | 59.1 | -94.5 | 0 | 0 | 0 | 113.8 | L460 L461 V501 L531 | L460-F529 CarbonylContact O-C 3.57Å; L460-F529 WeakPolarHBondContact O-CA 3.22Å; L460-F529 WeakPolarHBondContact O-CB 3.43Å; L461-F529 HydrophobicContact CB-CB 4.14Å; L461-F529 HydrophobicContact CD1-CB 4.39Å; L461-F529 HydrophobicContact CG-CB 4.22Å; V501-F529 HydrophobicContact CG1-CE1 3.93Å; V501-F529 HydrophobicContact CG1-CZ 4.15Å; V501-F529 HydrophobicContact CG2-CD1 4.44Å; V501-F529 HydrophobicContact CG2-CE1 4.28Å; V501-F529 HydrophobicContact CG2-CZ 4.45Å; F529-L531 HydrophobicContact CB-CD1 4.38Å; F529-L531 HydrophobicContact CB-CG 4.13Å; F529-L531 HydrophobicContact CD2-CB 4.24Å |
| 530 | S | 90.2 | Very high | 85.3 | Confident | 26 Ų | 26 | 48.2 Ų | 48.2 | 18% | 0.182 | 24% | 0.237 | C | C | . | . | trans | -124.1 | 26 | 170.8 | 58.9 | 0 | 0 | 0 | 0 | 110.6 | I457 D459 L460 | I457-S530 WeakPolarHBondContact O-CB 3.45Å; I457-S530 PolarHBondContact O-OG 3.31Å; D459-S530 PolarHBondContact N-O 2.86Å; L460-S530 PolarHBondContact N-OG 2.99Å; L460-S530 PolarHBondContact O-N 3.36Å; L460-S530 PolarHBondContact O-OG 3.31Å | ||
| 531 | L | 91.5 | Very high | 87.2 | Confident | 27 Ų | 27 | 53.3 Ų | 53.3 | 14% | 0.141 | 26% | 0.258 | C | S | . | . | trans | -59.4 | 137.5 | 173.7 | -65.2 | 174.9 | 0 | 0 | 0 | 110.2 | Y295 P414 L461 V501 F529 V535 | Y295-L531 HydrophobicContact CE2-CB 4.41Å; Y295-L531 HydrophobicContact CE2-CD2 3.91Å; P414-L531 HydrophobicContact CB-CD2 4.04Å; L461-L531 HydrophobicContact CB-CD1 4.07Å; L461-L531 HydrophobicContact CB-CD2 4.41Å; L461-L531 HydrophobicContact CB-CG 4.22Å; L461-L531 HydrophobicContact CD1-CD1 3.66Å; L461-L531 HydrophobicContact CG-CD1 4.5Å; V501-L531 HydrophobicContact CG2-CD1 4.22Å; F529-L531 HydrophobicContact CB-CD1 4.38Å; F529-L531 HydrophobicContact CB-CG 4.13Å; F529-L531 HydrophobicContact CD2-CB 4.24Å; L531-V535 HydrophobicContact CD1-CG2 3.96Å; L531-V535 HydrophobicContact CD2-CG2 4.09Å | ||
| 532 | R | 90.8 | Very high | 88.9 | Confident | 137 Ų | 137 | 58.2 Ų | 58.2 | 52% | 0.517 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -104.8 | -9.7 | -179.5 | -61.8 | -177.6 | -69.6 | 157.6 | -2.1 | 113.1 | Y295 E412 D459 | Y295-R532 PolarHBondContact OH-N 3.06Å; E412-R532 IonicContact OE1-NH1 3.43Å; E412-R532 IonicContact OE1-NH2 3.54Å; E412-R532 PolarHBondContact OE1-NH2 2.91Å; D459-R532 IonicContact OD1-CZ 2.69Å; D459-R532 IonicContact OD1-NE 3.22Å; D459-R532 PolarHBondContact OD1-NE 3.5Å; D459-R532 IonicContact OD1-NH2 3.54Å; D459-R532 PolarHBondContact OD1-NH2 3.21Å; D459-R532 IonicContact OD2-CZ 2.67Å; D459-R532 IonicContact OD2-NE 2.76Å; D459-R532 IonicContact OD2-NH2 3.74Å; D459-R532 PolarHBondContact OD2-NH2 3.32Å |
| 533 | K | 93.7 | Very high | 89.8 | Confident | 79 Ų | 79 | 61.8 Ų | 61.8 | 34% | 0.343 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -142.9 | 164.1 | -178.8 | -62.1 | 179 | -173.5 | 171.5 | 0 | 109.1 | F293 Y295 | F293-K533 HydrophobicContact CB-CD 4.29Å; F293-K533 HydrophobicContact CB-CG 4.15Å; F293-K533 CarbonylContact O-C 3.5Å; F293-K533 WeakPolarHBondContact O-CA 3.33Å; F293-K533 VanDerWaalsContact O-CB 3.28Å; F293-K533 WeakPolarHBondContact O-CB 3.31Å; Y295-K533 HydrophobicContact CD1-CB 4.23Å; Y295-K533 HydrophobicContact CD1-CD 4.16Å; Y295-K533 HydrophobicContact CD2-CB 3.63Å; Y295-K533 HydrophobicContact CE1-CB 4.2Å; Y295-K533 HydrophobicContact CE1-CD 4.31Å; Y295-K533 HydrophobicContact CE1-CG 4.46Å; Y295-K533 HydrophobicContact CE2-CB 3.61Å; Y295-K533 WeakPolarHBondContact CE2-O 3.48Å; Y295-K533 HydrophobicContact CG-CB 3.96Å; Y295-K533 HydrophobicContact CG-CD 4.48Å |
| 534 | R | 95.6 | Very high | 90.7 | Very high | 98 Ų | 98 | 64.6 Ų | 64.6 | 37% | 0.37 | 33% | 0.325 | S | S | . | . | B | Isolated β-bridge | trans | -74 | 138.5 | 174.4 | -57.3 | -176.2 | -58.3 | -178.1 | 3.5 | 110.1 | F293 D294 Y295 D499 V536 | F293-R534 PolarHBondContact O-N 3.39Å; D294-R534 WeakPolarHBondContact CA-O 3.24Å; D294-R534 WeakPolarHBondContact OD1-CB 3.33Å; D294-R534 IonicContact OD1-CZ 3.17Å; D294-R534 IonicContact OD1-NE 2.74Å; D294-R534 PolarHBondContact OD1-NE 2.84Å; D294-R534 IonicContact OD1-NH2 2.77Å; D294-R534 PolarHBondContact OD1-NH2 2.68Å; D294-R534 IonicContact OD2-NH2 3.33Å; D294-R534 PolarHBondContact OD2-NH2 3.2Å; Y295-R534 PolarHBondContact N-O 3.02Å; D499-R534 HydrophobicContact CB-CB 4.12Å; R534-V536 HydrophobicContact CB-CG2 4.25Å |
| 535 | V | 96.8 | Very high | 91 | Very high | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | trans | -94.5 | 101.6 | 170 | -179.1 | 0 | 0 | 0 | 0 | 107.3 | Y295 M297 P414 M416 D499 L500 L531 F537 | Y295-V535 HydrophobicContact CD2-CG2 3.6Å; Y295-V535 HydrophobicContact CE2-CG2 3.91Å; M297-V535 HydrophobicContact CE-CG1 4.24Å; P414-V535 HydrophobicContact CB-CG2 3.69Å; P414-V535 HydrophobicContact CG-CG2 4.1Å; M416-V535 HydrophobicContact SD-CG1 4.08Å; D499-V535 CarbonylContact C-O 3.51Å; D499-V535 WeakPolarHBondContact CA-O 3.49Å; L500-V535 HydrophobicContact CB-CB 4Å; L500-V535 HydrophobicContact CB-CG1 4.26Å; L500-V535 HydrophobicContact CD2-CB 4.45Å; L500-V535 HydrophobicContact CD2-CG1 4.28Å; L500-V535 PolarHBondContact N-O 2.88Å; L531-V535 HydrophobicContact CD1-CG2 3.96Å; L531-V535 HydrophobicContact CD2-CG2 4.09Å; V535-F537 HydrophobicContact CG1-CE2 4.25Å; V535-F537 HydrophobicContact CG1-CZ 4.15Å | ||
| 536 | V | 96.5 | Very high | 91.1 | Very high | 24 Ų | 24 | 71.2 Ų | 71.2 | 15% | 0.145 | 35% | 0.354 | C | S | . | . | trans | -111.1 | 115.2 | 174.1 | -177.3 | 0 | 0 | 0 | 0 | 107.6 | R497 D499 R534 | R497-V536 HydrophobicContact CB-CG1 4.08Å; D499-V536 HydrophobicContact CB-CG2 3.99Å; R534-V536 HydrophobicContact CB-CG2 4.25Å | ||
| 537 | F | 95.7 | Very high | 91 | Very high | 3 Ų | 3 | 70.3 Ų | 70.3 | 1% | 0.013 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -72 | 137.2 | 175.8 | -66.7 | -77.6 | 0 | 0 | 0 | 110.1 | M297 L339 Y341 M416 L490 V494 L500 V535 | M297-F537 HydrophobicContact CE-CD1 3.67Å; M297-F537 HydrophobicContact CE-CE1 3.62Å; L339-F537 HydrophobicContact CD2-CB 4.28Å; L339-F537 HydrophobicContact CD2-CG 4.37Å; Y341-F537 AromaticContact CE2-CE1 3.98Å; Y341-F537 HydrophobicContact CE2-CE1 3.98Å; Y341-F537 WeakPolarHBondContact OH-CE1 3.25Å; M416-F537 HydrophobicContact CE-CE1 4.33Å; M416-F537 HydrophobicContact CE-CZ 4.13Å; M416-F537 HydrophobicContact SD-CZ 4.01Å; L490-F537 HydrophobicContact CD2-CD2 4.46Å; L490-F537 HydrophobicContact CD2-CE2 4.15Å; V494-F537 HydrophobicContact CG1-CB 3.76Å; V494-F537 HydrophobicContact CG2-CB 3.99Å; V494-F537 HydrophobicContact CG2-CD2 3.98Å; V494-F537 HydrophobicContact CG2-CG 4.32Å; L500-F537 HydrophobicContact CB-CE2 4.36Å; L500-F537 HydrophobicContact CD1-CE2 4.21Å; L500-F537 HydrophobicContact CD2-CE2 4.33Å; V535-F537 HydrophobicContact CG1-CE2 4.25Å; V535-F537 HydrophobicContact CG1-CZ 4.15Å |
| 538 | P | 93.9 | Very high | 89.6 | Confident | 49 Ų | 49 | 72.3 Ų | 72.3 | 32% | 0.318 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 148.6 | 167.4 | -19.3 | 32 | 0 | 0 | 0 | 110.2 | M297 R301 P540 | M297-P538 HydrophobicContact CB-CG 4.25Å; M297-P538 WeakPolarHBondContact O-CD 3.27Å; M297-P538 WeakPolarHBondContact O-CG 3.48Å; R301-P538 VanDerWaalsContact NH2-CD 3.32Å; R301-P538 VanDerWaalsContact NH2-CG 3.28Å; P538-P540 WeakPolarHBondContact O-CD 3.39Å |
| 539 | V | 93.5 | Very high | 87.2 | Confident | 62 Ų | 62 | 75 Ų | 75 | 38% | 0.376 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -68 | 118.2 | 174.5 | -174.3 | 0 | 0 | 0 | 0 | 108.4 | P495 R497 | P495-V539 HydrophobicContact CB-CG1 4.33Å; R497-V539 HydrophobicContact CG-CG2 4.12Å |
| 540 | P | 91.4 | Very high | 84.5 | Confident | 25 Ų | 25 | 74.9 Ų | 74.9 | 16% | 0.162 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 147 | 177.3 | -22.4 | 36.1 | 0 | 0 | 0 | 111.6 | W338 L339 P538 K542 | W338-P540 HydrophobicContact CD2-CB 4.38Å; W338-P540 HydrophobicContact CD2-CG 3.88Å; W338-P540 HydrophobicContact CE3-CG 4.38Å; W338-P540 HydrophobicContact CG-CB 4.42Å; W338-P540 HydrophobicContact CG-CG 4.31Å; W338-P540 HydrophobicContact CH2-CG 4.31Å; W338-P540 HydrophobicContact CZ2-CB 4.33Å; W338-P540 HydrophobicContact CZ2-CG 3.78Å; W338-P540 WeakPolarHBondContact O-CB 3.5Å; W338-P540 WeakPolarHBondContact O-CG 3.48Å; L339-P540 HydrophobicContact CD2-CG 4.16Å; P538-P540 WeakPolarHBondContact O-CD 3.39Å; P540-K542 VanDerWaalsContact C-N 3.32Å |
| 541 | E | 89.7 | Confident | 81.6 | Confident | 206 Ų | 206 | 79.7 Ų | 79.7 | 96% | 0.963 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -69.6 | -31.9 | 177.4 | -63.3 | -176.8 | 171.4 | 0 | 0 | 112.4 | ||
| 542 | K | 91 | Very high | 78.7 | Confident | 157 Ų | 157 | 87.2 Ų | 87.2 | 68% | 0.683 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -71 | 146.2 | 177.1 | -67.5 | 179.4 | -176.3 | 173.2 | 0 | 110 | W338 P540 | W338-K542 PolarHBondContact NE1-O 3.35Å; P540-K542 VanDerWaalsContact C-N 3.32Å |
| 543 | P | 91.9 | Very high | 75.9 | Confident | 111 Ų | 111 | 87.6 Ų | 87.6 | 72% | 0.721 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -61 | 149.6 | 174.3 | 27.2 | -34.7 | 0 | 0 | 0 | 110.8 | W338 | W338-P543 PolarHBondContact NE1-O 3.09Š|
| 544 | P | 91.8 | Very high | 72.9 | Confident | 60 Ų | 60 | 90.8 Ų | 90.8 | 39% | 0.39 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 144.3 | 179 | -16.8 | 27.2 | 0 | 0 | 0 | 112.6 | W338 I491 | W338-P544 HydrophobicContact CH2-CB 4.23Å; W338-P544 HydrophobicContact CH2-CG 4.37Å; W338-P544 HydrophobicContact CZ2-CB 3.81Å; W338-P544 HydrophobicContact CZ2-CG 3.75Å; I491-P544 HydrophobicContact CG2-CB 3.71Å |
| 545 | P | 91.5 | Very high | 69.8 | Low | 28 Ų | 28 | 94.8 Ų | 94.8 | 18% | 0.182 | 54% | 0.543 | C | S | . | . | P | Polyproline II helix | trans | -67 | 155.5 | 177.5 | 25.7 | -31.4 | 0 | 0 | 0 | 111.7 | E334 V335 W338 I491 | E334-P545 HydrophobicContact CB-CB 4.08Å; E334-P545 HydrophobicContact CB-CG 4.35Å; V335-P545 HydrophobicContact CG2-CG 4.36Å; W338-P545 HydrophobicContact CB-CG 4.12Å; W338-P545 VanDerWaalsContact CG-CD 3.49Å; W338-P545 HydrophobicContact CG-CG 4.32Å; I491-P545 HydrophobicContact CD1-CG 4.02Å; I491-P545 HydrophobicContact CG1-CG 4.22Å |
| 546 | K | 85.8 | Confident | 68.4 | Low | 185 Ų | 185 | 99.5 Ų | 99.5 | 80% | 0.804 | 57% | 0.57 | S | S | * | * | trans | -103.2 | 95.1 | 177.6 | -69.9 | -175.1 | -178.6 | 179.1 | 0 | 109.8 | ||||
| 547 | I | 77.1 | Confident | 66.9 | Low | 47 Ų | 47 | 103.5 Ų | 103.5 | 24% | 0.241 | 59% | 0.592 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -87.7 | 134.5 | 178.6 | -47 | 177.7 | 0 | 0 | 0 | 109.4 | A331 V335 C487 I491 | A331-I547 HydrophobicContact CB-CD1 4.16Å; A331-I547 HydrophobicContact CB-CG2 3.66Å; V335-I547 HydrophobicContact CG2-CD1 3.41Å; V335-I547 VanDerWaalsContact CG2-CD1 3.41Å; C487-I547 HydrophobicContact CB-CD1 3.57Å; I491-I547 HydrophobicContact CD1-CD1 3.36Å; I491-I547 HydrophobicContact CD1-CG1 3.69Å |
| 548 | G | 56.5 | Low | 65.4 | Low | 75 Ų | 75 | 109.1 Ų | 109.1 | 77% | 0.773 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 87.1 | 13.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | S550 | G548-S550 PolarHBondContact O-N 2.97Š|
| 549 | A | 36.2 | Very low | 63.7 | Low | 77 Ų | 77 | 112.6 Ų | 112.6 | 64% | 0.636 | 64% | 0.643 | S | S | * | * | trans | -80.3 | 103.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110 | T551 | A549-T551 PolarHBondContact O-N 3.22Å; A549-T551 VanDerWaalsContact O-N 3.13Å | ||
| 550 | S | 34.1 | Very low | 61.8 | Low | 96 Ų | 96 | 115.8 Ų | 115.8 | 67% | 0.671 | 66% | 0.659 | S | S | * | * | trans | -59.7 | 118.2 | 164.2 | 75.1 | 0 | 0 | 0 | 0 | 108 | G548 K552 | G548-S550 PolarHBondContact O-N 2.97Å; S550-K552 VanDerWaalsContact C-N 3.26Å; S550-K552 PolarHBondContact O-N 3.48Å | ||
| 551 | T | 29.3 | Very low | 59.8 | Low | 127 Ų | 127 | 121.8 Ų | 121.8 | 78% | 0.779 | 69% | 0.692 | S | S | * | * | trans | -62.3 | 94.1 | 161 | 45.1 | 0 | 0 | 0 | 0 | 107.5 | A549 D553 | A549-T551 PolarHBondContact O-N 3.22Å; A549-T551 VanDerWaalsContact O-N 3.13Å; T551-D553 PolarHBondContact O-N 2.6Å; T551-D553 VanDerWaalsContact O-N 3.08Å | ||
| 552 | K | 30.9 | Very low | 57.7 | Low | 185 Ų | 185 | 115.8 Ų | 115.8 | 80% | 0.804 | 67% | 0.673 | S | S | * | * | trans | -73.8 | 81 | 159.1 | -77.8 | -173 | 176.1 | -178.1 | 0 | 107.2 | S550 | S550-K552 VanDerWaalsContact C-N 3.26Å; S550-K552 PolarHBondContact O-N 3.48Å | ||
| 553 | D | 30.8 | Very low | 55.1 | Low | 145 Ų | 145 | 112.6 Ų | 112.6 | 78% | 0.775 | 67% | 0.672 | S | S | * | * | trans | -124.1 | 94.9 | 159.9 | -75.7 | -41.7 | 0 | 0 | 0 | 107.1 | T551 | T551-D553 PolarHBondContact O-N 2.6Å; T551-D553 VanDerWaalsContact O-N 3.08Å | ||
| 554 | N | 30.4 | Very low | 52.1 | Low | 145 Ų | 145 | 112.8 Ų | 112.8 | 78% | 0.775 | 67% | 0.668 | S | S | * | * | trans | -77.3 | 147.8 | 161.9 | -120.4 | 49.1 | 0 | 0 | 0 | 107.7 | ||||
| 555 | P | 30.7 | Very low | 48.5 | Very low | 183 Ų | 183 | 117.5 Ų | 117.5 | 100% | 1.188 | 69% | 0.694 | S | S | * | * | -101.6 | 0 | 102.4 | -18 | 32.3 | 0 | 0 | 0 | 112.7 |
Retrieved 555 of 555 residues in 197.6 ms
(Link to these results)