| 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 | 38.7 | Very low | 53 | Low | 131 Ų | 131 | 71.5 Ų | 71.5 | 65% | 0.645 | 36% | 0.363 | S | S | * | . | 0 | -12.8 | 0 | -69.7 | 179.3 | -167.1 | 0 | 0 | 111.8 | E3 H4 E73 | M1-E3 PolarHBondContact O-N 3.47Å; M1-H4 PolarHBondContact O-N 3.17Å; M1-E73 PolarHBondContact N-O 2.97Å | |||
| 2 | A | 33.9 | Very low | 55.2 | Low | 9 Ų | 9 | 66.7 Ų | 66.7 | 7% | 0.074 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -60.3 | -31.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y72 E73 R74 | A2-Y72 WeakPolarHBondContact CB-O 3.38Å; A2-E73 PolarHBondContact N-O 3.3Å; A2-R74 VanDerWaalsContact CB-O 3.31Å; A2-R74 WeakPolarHBondContact CB-O 3.31Å |
| 3 | E | 42.3 | Very low | 57.3 | Low | 55 Ų | 55 | 62.7 Ų | 62.7 | 26% | 0.257 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -89.7 | 2.9 | 176.4 | -61.9 | 162.3 | 172.9 | 0 | 0 | 113.4 | M1 Y633 R643 | M1-E3 PolarHBondContact O-N 3.47Å; E3-Y633 WeakPolarHBondContact OE1-CE2 3.07Å; E3-Y633 PolarHBondContact OE1-OH 3.27Å; E3-R643 IonicContact OE2-CZ 2.64Å; E3-R643 IonicContact OE2-NE 3.66Å; E3-R643 IonicContact OE2-NH2 3.39Å; E3-R643 PolarHBondContact OE2-NH2 3.41Å |
| 4 | H | 42 | Very low | 59.2 | Low | 104 Ų | 104 | 58.2 Ų | 58.2 | 48% | 0.481 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -100.8 | 4 | 179 | -86.3 | -62.7 | 0 | 0 | 0 | 112.9 | M1 S6 R699 | M1-H4 PolarHBondContact O-N 3.17Å; H4-S6 PolarHBondContact O-N 3.34Å; H4-R699 PolarHBondContact CE1-NH1 3.19Å; H4-R699 PolarHBondContact NE2-NH1 3.14Å |
| 5 | E | 47.8 | Very low | 60.6 | Low | 30 Ų | 30 | 54.7 Ų | 54.7 | 14% | 0.14 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -61.9 | 123.4 | 163.4 | -72.1 | -164.5 | 141 | 0 | 0 | 107.2 | F9 R32 R37 | E5-F9 HydrophobicContact CB-CB 4.22Å; E5-F9 HydrophobicContact CB-CD2 4.44Å; E5-R32 IonicContact OE2-CZ 3.43Å; E5-R32 IonicContact OE2-NH1 3.03Å; E5-R32 PolarHBondContact OE2-NH1 3.21Å; E5-R32 IonicContact OE2-NH2 3.78Å; E5-R32 PolarHBondContact OE2-NH2 3.33Å; E5-R37 IonicContact OE1-CZ 2.83Å; E5-R37 VanDerWaalsContact OE1-CZ 3.31Å; E5-R37 IonicContact OE1-NE 2.93Å; E5-R37 PolarHBondContact OE1-NE 3.13Å; E5-R37 IonicContact OE1-NH2 3.78Å; E5-R37 PolarHBondContact OE1-NH2 3.13Å |
| 6 | S | 46.2 | Very low | 61.6 | Low | 44 Ų | 44 | 52.4 Ų | 52.4 | 31% | 0.308 | 27% | 0.27 | S | S | . | . | trans | -52.6 | 152 | 177.3 | 45.1 | 0 | 0 | 0 | 0 | 109.5 | H4 E8 F9 | H4-S6 PolarHBondContact O-N 3.34Å; S6-E8 PolarHBondContact O-N 3.17Å; S6-E8 PolarHBondContact OG-OE2 3.14Å; S6-F9 PolarHBondContact O-N 2.88Å; S6-F9 WeakPolarHBondContact OG-CD2 3.46Å; S6-F9 VanDerWaalsContact OG-CE2 3.23Å; S6-F9 WeakPolarHBondContact OG-CE2 3.41Å | ||
| 7 | L | 55.3 | Low | 62.6 | Low | 169 Ų | 169 | 49.8 Ų | 49.8 | 89% | 0.885 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -46.6 | -19.6 | 170.6 | -75.1 | 157.1 | 0 | 0 | 0 | 112.7 | F9 | L7-F9 VanDerWaalsContact C-N 3.32Å; L7-F9 PolarHBondContact O-N 3.07Å |
| 8 | E | 56.7 | Low | 63 | Low | 131 Ų | 131 | 50.2 Ų | 50.2 | 61% | 0.612 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -64.7 | -21.3 | 174.8 | -57 | 173.4 | 140.9 | 0 | 0 | 115.6 | S6 | S6-E8 PolarHBondContact O-N 3.17Å; S6-E8 PolarHBondContact OG-OE2 3.14Å |
| 9 | F | 66.4 | Low | 63.7 | Low | 59 Ų | 59 | 51.7 Ų | 51.7 | 26% | 0.259 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -107.2 | 6.7 | -177.2 | -63 | -74.7 | 0 | 0 | 0 | 113.6 | E5 S6 L7 R32 K35 | E5-F9 HydrophobicContact CB-CB 4.22Å; E5-F9 HydrophobicContact CB-CD2 4.44Å; S6-F9 PolarHBondContact O-N 2.88Å; S6-F9 WeakPolarHBondContact OG-CD2 3.46Å; S6-F9 VanDerWaalsContact OG-CE2 3.23Å; S6-F9 WeakPolarHBondContact OG-CE2 3.41Å; L7-F9 VanDerWaalsContact C-N 3.32Å; L7-F9 PolarHBondContact O-N 3.07Å; F9-R32 WeakPolarHBondContact O-CG 3.46Å; F9-R32 PolarHBondContact O-NH1 3.5Å; F9-R32 VanDerWaalsContact O-NH1 3.17Å; F9-K35 HydrophobicContact CD1-CB 3.67Å; F9-K35 HydrophobicContact CD1-CD 4.38Å; F9-K35 HydrophobicContact CD1-CG 3.95Å; F9-K35 HydrophobicContact CE1-CB 4.08Å; F9-K35 HydrophobicContact CE1-CD 4.37Å; F9-K35 HydrophobicContact CE1-CG 4.39Å |
| 10 | G | 74.9 | Confident | 64.4 | Low | 16 Ų | 16 | 50.8 Ų | 50.8 | 17% | 0.165 | 26% | 0.264 | C | S | . | . | trans | 70.9 | -178.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | N28 | G10-N28 WeakPolarHBondContact CA-OD1 3.4Š| ||
| 11 | K | 79.1 | Confident | 65.4 | Low | 38 Ų | 38 | 50.2 Ų | 50.2 | 17% | 0.165 | 26% | 0.264 | C | S | . | . | trans | -84.3 | 128.4 | -175.1 | -63.5 | -175.5 | -179.5 | 177.9 | 0 | 111.3 | L16 L17 D18 N28 R32 F693 | K11-L16 VanDerWaalsContact CD-O 3.26Å; K11-L16 WeakPolarHBondContact CD-O 3.48Å; K11-L16 WeakPolarHBondContact CE-O 3.24Å; K11-L16 PolarHBondContact NZ-O 2.65Å; K11-L17 HydrophobicContact CD-CD2 4.23Å; K11-D18 IonicContact NZ-OD1 3.44Å; K11-D18 PolarHBondContact NZ-OD1 3.35Å; K11-D18 IonicContact NZ-OD2 2.99Å; K11-D18 PolarHBondContact NZ-OD2 3.14Å; K11-N28 PolarHBondContact N-OD1 2.97Å; K11-N28 PolarHBondContact O-ND2 3.48Å; K11-R32 WeakPolarHBondContact O-CD 3.1Å; K11-F693 HydrophobicContact CD-CE2 4.42Å; K11-F693 HydrophobicContact CD-CZ 3.89Å; K11-F693 HydrophobicContact CG-CZ 4.42Å | ||
| 12 | A | 79.3 | Confident | 67.5 | Low | 14 Ų | 14 | 44.8 Ų | 44.8 | 12% | 0.116 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -73.6 | -22.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | T40 Y41 P76 | A12-T40 WeakPolarHBondContact O-CG2 2.92Å; A12-Y41 PolarHBondContact O-N 2.8Å; A12-P76 HydrophobicContact CB-CG 3.73Å; A12-P76 VanDerWaalsContact O-CG 3.26Å; A12-P76 WeakPolarHBondContact O-CG 3.3Å |
| 13 | D | 82.9 | Confident | 70 | Confident | 15 Ų | 15 | 51.6 Ų | 51.6 | 8% | 0.08 | 27% | 0.268 | C | S | . | . | B | Isolated β-bridge | trans | -127.5 | 127.7 | 173.9 | -168.7 | -21.2 | 0 | 0 | 0 | 109.6 | V15 L16 Y41 I42 G43 | D13-V15 VanDerWaalsContact C-N 3.26Å; D13-V15 PolarHBondContact O-N 2.83Å; D13-V15 WeakPolarHBondContact OD1-CB 3.47Å; D13-V15 WeakPolarHBondContact OD1-CG2 3.36Å; D13-V15 PolarHBondContact OD1-N 2.64Å; D13-L16 HydrophobicContact CB-CD1 4.12Å; D13-L16 HydrophobicContact CB-CG 4.16Å; D13-L16 WeakPolarHBondContact O-CB 3.26Å; D13-L16 PolarHBondContact O-N 3.03Å; D13-L16 VanDerWaalsContact O-N 3.15Å; D13-Y41 CarbonylContact C-O 3.31Å; D13-Y41 WeakPolarHBondContact CA-O 3.49Å; D13-I42 WeakPolarHBondContact OD1-CA 3.02Å; D13-G43 PolarHBondContact OD1-N 3.04Å; D13-G43 PolarHBondContact OD2-N 3.24Å |
| 14 | F | 83.5 | Confident | 72.1 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -70.1 | -21.2 | 179.4 | -71.1 | -66.9 | 0 | 0 | 0 | 113.3 | L16 L17 F25 N28 L29 T40 Y41 I42 V47 V624 | F14-L16 PolarHBondContact O-N 3.14Å; F14-L17 HydrophobicContact CB-CD1 4.27Å; F14-L17 HydrophobicContact CD1-CD1 3.7Å; F14-L17 HydrophobicContact CD1-CG 4.21Å; F14-L17 HydrophobicContact CG-CD1 4.48Å; F14-L17 WeakPolarHBondContact O-CB 3.25Å; F14-L17 WeakPolarHBondContact O-CG 3.2Å; F14-L17 PolarHBondContact O-N 3.38Å; F14-L17 VanDerWaalsContact O-N 3.09Å; F14-F25 HydrophobicContact CB-CD2 4.39Å; F14-F25 HydrophobicContact CB-CE2 3.88Å; F14-F25 AromaticContact CD1-CD2 3.61Å; F14-F25 HydrophobicContact CD1-CD2 3.61Å; F14-F25 AromaticContact CD1-CE2 3.46Å; F14-F25 HydrophobicContact CD1-CE2 3.46Å; F14-F25 VanDerWaalsContact CD1-CE2 3.46Å; F14-F25 HydrophobicContact CD1-CG 4.25Å; F14-F25 AromaticContact CD1-CZ 3.97Å; F14-F25 HydrophobicContact CD1-CZ 3.97Å; F14-F25 AromaticContact CD2-CE2 3.67Å; F14-F25 HydrophobicContact CD2-CE2 3.67Å; F14-F25 AromaticContact CD2-CZ 3.71Å; F14-F25 HydrophobicContact CD2-CZ 3.71Å; F14-F25 HydrophobicContact CE1-CD1 4.15Å; F14-F25 AromaticContact CE1-CD2 3.87Å; F14-F25 HydrophobicContact CE1-CD2 3.87Å; F14-F25 AromaticContact CE1-CE1 4Å; F14-F25 HydrophobicContact CE1-CE1 4Å; F14-F25 AromaticContact CE1-CE2 3.74Å; F14-F25 HydrophobicContact CE1-CE2 3.74Å; F14-F25 HydrophobicContact CE1-CG 4.08Å; F14-F25 AromaticContact CE1-CZ 3.8Å; F14-F25 HydrophobicContact CE1-CZ 3.8Å; F14-F25 HydrophobicContact CE2-CE1 4.15Å; F14-F25 AromaticContact CE2-CE2 3.94Å; F14-F25 HydrophobicContact CE2-CE2 3.94Å; F14-F25 AromaticContact CE2-CZ 3.52Å; F14-F25 HydrophobicContact CE2-CZ 3.52Å; F14-F25 AromaticContact CG-CD2 4Å; F14-F25 HydrophobicContact CG-CD2 4Å; F14-F25 AromaticContact CG-CE2 3.41Å; F14-F25 HydrophobicContact CG-CE2 3.41Å; F14-F25 VanDerWaalsContact CG-CE2 3.41Å; F14-F25 AromaticContact CG-CZ 3.92Å; F14-F25 HydrophobicContact CG-CZ 3.92Å; F14-F25 HydrophobicContact CZ-CD1 4.34Å; F14-F25 HydrophobicContact CZ-CD2 4.49Å; F14-F25 AromaticContact CZ-CE1 3.78Å; F14-F25 HydrophobicContact CZ-CE1 3.78Å; F14-F25 AromaticContact CZ-CE2 3.97Å; F14-F25 HydrophobicContact CZ-CE2 3.97Å; F14-F25 AromaticContact CZ-CZ 3.57Å; F14-F25 HydrophobicContact CZ-CZ 3.57Å; F14-N28 HydrophobicContact CE1-CB 4.19Å; F14-N28 WeakPolarHBondContact CE1-ND2 3.36Å; F14-L29 HydrophobicContact CE2-CD1 4.45Å; F14-L29 HydrophobicContact CZ-CB 4.38Å; F14-L29 HydrophobicContact CZ-CD1 3.84Å; F14-T40 HydrophobicContact CD1-CG2 4.45Å; F14-T40 HydrophobicContact CD2-CG2 3.56Å; F14-T40 HydrophobicContact CE1-CG2 4.28Å; F14-T40 HydrophobicContact CE2-CG2 3.33Å; F14-T40 HydrophobicContact CG-CG2 4.15Å; F14-T40 HydrophobicContact CZ-CG2 3.72Å; F14-Y41 WeakPolarHBondContact CD2-O 3.32Å; F14-Y41 PolarHBondContact N-O 2.84Å; F14-I42 HydrophobicContact CB-CG1 4Å; F14-I42 HydrophobicContact CD2-CD1 4.19Å; F14-I42 HydrophobicContact CD2-CG1 3.59Å; F14-I42 HydrophobicContact CG-CG1 4.24Å; F14-V47 HydrophobicContact CD2-CG2 4.38Å; F14-V47 HydrophobicContact CE2-CB 4.26Å; F14-V47 HydrophobicContact CE2-CG2 4.06Å; F14-V624 HydrophobicContact CB-CG2 3.84Å |
| 15 | V | 80.4 | Confident | 74.3 | Confident | 6 Ų | 6 | 47 Ų | 47 | 4% | 0.036 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -61.8 | -24.9 | 172 | -179.7 | 0 | 0 | 0 | 0 | 110.7 | D13 L17 I42 R627 A632 P689 | D13-V15 VanDerWaalsContact C-N 3.26Å; D13-V15 PolarHBondContact O-N 2.83Å; D13-V15 WeakPolarHBondContact OD1-CB 3.47Å; D13-V15 WeakPolarHBondContact OD1-CG2 3.36Å; D13-V15 PolarHBondContact OD1-N 2.64Å; V15-L17 VanDerWaalsContact C-N 3.34Å; V15-I42 HydrophobicContact CG2-CG2 4.22Å; V15-R627 HydrophobicContact CG2-CB 4.12Å; V15-A632 HydrophobicContact CG1-CB 3.84Å; V15-A632 WeakPolarHBondContact CG1-O 3.3Å; V15-P689 VanDerWaalsContact O-CG 3.24Å; V15-P689 WeakPolarHBondContact O-CG 3.24Å |
| 16 | L | 76.1 | Confident | 76.2 | Confident | 18 Ų | 18 | 46.4 Ų | 46.4 | 9% | 0.094 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -86.9 | 5.1 | 178.2 | -54.4 | 176.6 | 0 | 0 | 0 | 113.9 | K11 D13 F14 P689 L692 F693 | K11-L16 VanDerWaalsContact CD-O 3.26Å; K11-L16 WeakPolarHBondContact CD-O 3.48Å; K11-L16 WeakPolarHBondContact CE-O 3.24Å; K11-L16 PolarHBondContact NZ-O 2.65Å; D13-L16 HydrophobicContact CB-CD1 4.12Å; D13-L16 HydrophobicContact CB-CG 4.16Å; D13-L16 WeakPolarHBondContact O-CB 3.26Å; D13-L16 PolarHBondContact O-N 3.03Å; D13-L16 VanDerWaalsContact O-N 3.15Å; F14-L16 PolarHBondContact O-N 3.14Å; L16-P689 HydrophobicContact CB-CB 4.23Å; L16-P689 HydrophobicContact CD2-CB 4.06Å; L16-P689 HydrophobicContact CD2-CG 4.36Å; L16-L692 HydrophobicContact CD1-CD2 4.28Å; L16-L692 HydrophobicContact CD2-CD2 3.78Å; L16-F693 HydrophobicContact CB-CE2 4.15Å; L16-F693 HydrophobicContact CB-CZ 3.85Å; L16-F693 VanDerWaalsContact O-CE2 3.24Å; L16-F693 WeakPolarHBondContact O-CE2 3.3Å |
| 17 | L | 78 | Confident | 78.2 | Confident | 7 Ų | 7 | 47.1 Ų | 47.1 | 4% | 0.037 | 25% | 0.253 | C | S | . | . | trans | -61.6 | 148.5 | 173.5 | -76.2 | 172.6 | 0 | 0 | 0 | 111.6 | K11 F14 V15 F25 N28 R628 | K11-L17 HydrophobicContact CD-CD2 4.23Å; F14-L17 HydrophobicContact CB-CD1 4.27Å; F14-L17 HydrophobicContact CD1-CD1 3.7Å; F14-L17 HydrophobicContact CD1-CG 4.21Å; F14-L17 HydrophobicContact CG-CD1 4.48Å; F14-L17 WeakPolarHBondContact O-CB 3.25Å; F14-L17 WeakPolarHBondContact O-CG 3.2Å; F14-L17 PolarHBondContact O-N 3.38Å; F14-L17 VanDerWaalsContact O-N 3.09Å; V15-L17 VanDerWaalsContact C-N 3.34Å; L17-F25 HydrophobicContact CD1-CB 4.34Å; L17-F25 HydrophobicContact CD1-CD2 4.01Å; L17-N28 HydrophobicContact CD2-CB 4.16Å; L17-R628 PolarHBondContact O-NH1 2.83Å | ||
| 18 | D | 70 | Confident | 79.9 | Confident | 57 Ų | 57 | 39.8 Ų | 39.8 | 31% | 0.305 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -73.8 | -49 | -177.3 | -68.1 | -50.5 | 0 | 0 | 0 | 110.3 | K11 R628 | K11-D18 IonicContact NZ-OD1 3.44Å; K11-D18 PolarHBondContact NZ-OD1 3.35Å; K11-D18 IonicContact NZ-OD2 2.99Å; K11-D18 PolarHBondContact NZ-OD2 3.14Å; D18-R628 PolarHBondContact O-NH1 3.28Å; D18-R628 PolarHBondContact O-NH2 3.02Å |
| 19 | N | 77.6 | Confident | 81.4 | Confident | 80 Ų | 80 | 33.6 Ų | 33.6 | 43% | 0.428 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -118.4 | 140.5 | 169.5 | -52.1 | -47.5 | 0 | 0 | 0 | 110.7 | S21 E24 | N19-S21 PolarHBondContact O-N 3.12Å; N19-E24 WeakPolarHBondContact CA-OE2 3.29Å; N19-E24 WeakPolarHBondContact CB-OE1 3.23Å; N19-E24 PolarHBondContact N-OE2 3.02Å; N19-E24 PolarHBondContact ND2-OE1 2.92Å; N19-E24 VanDerWaalsContact O-OE2 3.04Å |
| 20 | V | 76.9 | Confident | 82.5 | Confident | 32 Ų | 32 | 35 Ų | 35 | 19% | 0.194 | 19% | 0.192 | C | C | . | . | trans | -87.1 | 66.5 | 173.9 | -168.3 | 0 | 0 | 0 | 0 | 108.7 | L621 V624 R625 R628 | V20-L621 HydrophobicContact CG1-CD1 3.51Å; V20-L621 HydrophobicContact CG1-CG 4.1Å; V20-V624 HydrophobicContact CG1-CB 4.21Å; V20-V624 HydrophobicContact CG1-CG1 3.78Å; V20-V624 HydrophobicContact CG2-CG1 3.87Å; V20-R625 HydrophobicContact CG1-CG 3.91Å; V20-R628 VanDerWaalsContact CG2-CD 3.5Å; V20-R628 VanDerWaalsContact CG2-NH1 3.27Å | ||
| 21 | S | 84.3 | Confident | 83.2 | Confident | 39 Ų | 39 | 37.1 Ų | 37.1 | 27% | 0.273 | 20% | 0.199 | S | C | . | . | trans | -104.3 | 152.8 | 171.1 | 75.9 | 0 | 0 | 0 | 0 | 110.2 | N19 E23 E24 F25 | N19-S21 PolarHBondContact O-N 3.12Å; S21-E23 PolarHBondContact O-N 3.05Å; S21-E24 PolarHBondContact OG-N 3.44Å; S21-F25 WeakPolarHBondContact O-CB 3.06Å; S21-F25 PolarHBondContact O-N 3.25Å | ||
| 22 | M | 83.9 | Confident | 83.7 | Confident | 18 Ų | 18 | 35.5 Ų | 35.5 | 9% | 0.089 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.9 | -35.8 | 176.7 | -163.9 | 62.5 | 161.7 | 0 | 0 | 111.4 | M26 R612 V615 E616 | M22-M26 WeakPolarHBondContact O-CB 3.45Å; M22-M26 WeakPolarHBondContact O-CG 3.45Å; M22-M26 PolarHBondContact O-N 3.27Å; M22-M26 VanDerWaalsContact O-N 3.08Å; M22-R612 HydrophobicContact CE-CB 4.16Å; M22-R612 HydrophobicContact CE-CG 3.31Å; M22-R612 WeakPolarHBondContact CE-O 3.43Å; M22-R612 HydrophobicContact CG-CG 3.89Å; M22-R612 HydrophobicContact SD-CG 4.46Å; M22-V615 HydrophobicContact CE-CB 3.61Å; M22-V615 HydrophobicContact CE-CG1 3.59Å; M22-V615 HydrophobicContact SD-CB 4.33Å; M22-V615 HydrophobicContact SD-CG1 3.67Å; M22-E616 HydrophobicContact CE-CB 4.37Å; M22-E616 HydrophobicContact CE-CG 3.57Å |
| 23 | E | 86.9 | Confident | 84.1 | Confident | 152 Ų | 152 | 35.5 Ų | 35.5 | 71% | 0.71 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -66.9 | -47.9 | -178.8 | -65.2 | 178.1 | 179.2 | 0 | 0 | 112.5 | S21 F25 M26 A27 | S21-E23 PolarHBondContact O-N 3.05Å; E23-F25 VanDerWaalsContact C-N 3.33Å; E23-F25 PolarHBondContact O-N 3.09Å; E23-M26 PolarHBondContact O-N 3.21Å; E23-A27 WeakPolarHBondContact O-CB 3.38Å; E23-A27 PolarHBondContact O-N 3.23Å |
| 24 | E | 85.4 | Confident | 84.4 | Confident | 61 Ų | 61 | 40.5 Ų | 40.5 | 29% | 0.285 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.3 | -38.3 | 178.1 | -76 | -175 | -158 | 0 | 0 | 111.7 | N19 S21 M26 A27 N28 | N19-E24 WeakPolarHBondContact CA-OE2 3.29Å; N19-E24 WeakPolarHBondContact CB-OE1 3.23Å; N19-E24 PolarHBondContact N-OE2 3.02Å; N19-E24 PolarHBondContact ND2-OE1 2.92Å; N19-E24 VanDerWaalsContact O-OE2 3.04Å; S21-E24 PolarHBondContact OG-N 3.44Å; E24-M26 VanDerWaalsContact C-N 3.35Å; E24-M26 PolarHBondContact O-N 2.91Å; E24-A27 PolarHBondContact O-N 3.48Å; E24-N28 WeakPolarHBondContact O-CB 3.47Å; E24-N28 PolarHBondContact O-N 3.49Å |
| 25 | F | 87.8 | Confident | 84.5 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.7 | -47.7 | 176.5 | -168.2 | -79.5 | 0 | 0 | 0 | 111.1 | F14 L17 S21 E23 N28 L29 I42 V615 L620 V624 | F14-F25 HydrophobicContact CB-CD2 4.39Å; F14-F25 HydrophobicContact CB-CE2 3.88Å; F14-F25 AromaticContact CD1-CD2 3.61Å; F14-F25 HydrophobicContact CD1-CD2 3.61Å; F14-F25 AromaticContact CD1-CE2 3.46Å; F14-F25 HydrophobicContact CD1-CE2 3.46Å; F14-F25 VanDerWaalsContact CD1-CE2 3.46Å; F14-F25 HydrophobicContact CD1-CG 4.25Å; F14-F25 AromaticContact CD1-CZ 3.97Å; F14-F25 HydrophobicContact CD1-CZ 3.97Å; F14-F25 AromaticContact CD2-CE2 3.67Å; F14-F25 HydrophobicContact CD2-CE2 3.67Å; F14-F25 AromaticContact CD2-CZ 3.71Å; F14-F25 HydrophobicContact CD2-CZ 3.71Å; F14-F25 HydrophobicContact CE1-CD1 4.15Å; F14-F25 AromaticContact CE1-CD2 3.87Å; F14-F25 HydrophobicContact CE1-CD2 3.87Å; F14-F25 AromaticContact CE1-CE1 4Å; F14-F25 HydrophobicContact CE1-CE1 4Å; F14-F25 AromaticContact CE1-CE2 3.74Å; F14-F25 HydrophobicContact CE1-CE2 3.74Å; F14-F25 HydrophobicContact CE1-CG 4.08Å; F14-F25 AromaticContact CE1-CZ 3.8Å; F14-F25 HydrophobicContact CE1-CZ 3.8Å; F14-F25 HydrophobicContact CE2-CE1 4.15Å; F14-F25 AromaticContact CE2-CE2 3.94Å; F14-F25 HydrophobicContact CE2-CE2 3.94Å; F14-F25 AromaticContact CE2-CZ 3.52Å; F14-F25 HydrophobicContact CE2-CZ 3.52Å; F14-F25 AromaticContact CG-CD2 4Å; F14-F25 HydrophobicContact CG-CD2 4Å; F14-F25 AromaticContact CG-CE2 3.41Å; F14-F25 HydrophobicContact CG-CE2 3.41Å; F14-F25 VanDerWaalsContact CG-CE2 3.41Å; F14-F25 AromaticContact CG-CZ 3.92Å; F14-F25 HydrophobicContact CG-CZ 3.92Å; F14-F25 HydrophobicContact CZ-CD1 4.34Å; F14-F25 HydrophobicContact CZ-CD2 4.49Å; F14-F25 AromaticContact CZ-CE1 3.78Å; F14-F25 HydrophobicContact CZ-CE1 3.78Å; F14-F25 AromaticContact CZ-CE2 3.97Å; F14-F25 HydrophobicContact CZ-CE2 3.97Å; F14-F25 AromaticContact CZ-CZ 3.57Å; F14-F25 HydrophobicContact CZ-CZ 3.57Å; L17-F25 HydrophobicContact CD1-CB 4.34Å; L17-F25 HydrophobicContact CD1-CD2 4.01Å; S21-F25 WeakPolarHBondContact O-CB 3.06Å; S21-F25 PolarHBondContact O-N 3.25Å; E23-F25 VanDerWaalsContact C-N 3.33Å; E23-F25 PolarHBondContact O-N 3.09Å; F25-N28 PolarHBondContact O-N 2.84Å; F25-L29 WeakPolarHBondContact O-CB 3.38Å; F25-L29 PolarHBondContact O-N 3.11Å; F25-I42 HydrophobicContact CZ-CD1 4.46Å; F25-V615 HydrophobicContact CD1-CG1 3.76Å; F25-V615 HydrophobicContact CD1-CG2 3.89Å; F25-V615 HydrophobicContact CE1-CB 4.37Å; F25-V615 HydrophobicContact CE1-CG1 3.76Å; F25-V615 HydrophobicContact CE1-CG2 3.59Å; F25-V615 HydrophobicContact CG-CG1 4.4Å; F25-V615 HydrophobicContact CZ-CG1 4.37Å; F25-L620 HydrophobicContact CE1-CD1 4.24Å; F25-L620 HydrophobicContact CE2-CB 4.42Å; F25-L620 HydrophobicContact CZ-CB 3.95Å; F25-L620 HydrophobicContact CZ-CD1 3.98Å; F25-V624 HydrophobicContact CE2-CG2 4.08Å |
| 26 | M | 89.2 | Confident | 84.6 | Confident | 17 Ų | 17 | 46.4 Ų | 46.4 | 8% | 0.084 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.8 | -39.9 | -179.7 | -70 | -62.2 | -61.4 | 0 | 0 | 112.5 | M22 E23 E24 N28 L29 K30 F606 P608 C611 R612 V615 | M22-M26 WeakPolarHBondContact O-CB 3.45Å; M22-M26 WeakPolarHBondContact O-CG 3.45Å; M22-M26 PolarHBondContact O-N 3.27Å; M22-M26 VanDerWaalsContact O-N 3.08Å; E23-M26 PolarHBondContact O-N 3.21Å; E24-M26 VanDerWaalsContact C-N 3.35Å; E24-M26 PolarHBondContact O-N 2.91Å; M26-N28 VanDerWaalsContact C-N 3.35Å; M26-N28 PolarHBondContact O-N 3.33Å; M26-L29 PolarHBondContact O-N 2.99Å; M26-K30 WeakPolarHBondContact O-CB 3.4Å; M26-K30 PolarHBondContact O-N 2.94Å; M26-F606 HydrophobicContact CE-CE1 4Å; M26-F606 HydrophobicContact CE-CZ 4.04Å; M26-P608 HydrophobicContact CE-CB 4.42Å; M26-P608 WeakPolarHBondContact CE-O 3.26Å; M26-C611 HydrophobicContact CE-CB 3.33Å; M26-C611 HydrophobicContact SD-CB 4.2Å; M26-R612 HydrophobicContact CE-CB 4.28Å; M26-R612 HydrophobicContact SD-CB 4.42Å; M26-V615 HydrophobicContact SD-CG2 3.82Å |
| 27 | A | 88.6 | Confident | 85.1 | Confident | 60 Ų | 60 | 50.7 Ų | 50.7 | 50% | 0.496 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | E23 E24 K30 L31 | E23-A27 WeakPolarHBondContact O-CB 3.38Å; E23-A27 PolarHBondContact O-N 3.23Å; E24-A27 PolarHBondContact O-N 3.48Å; A27-K30 PolarHBondContact O-N 3.32Å; A27-L31 WeakPolarHBondContact O-CB 3.41Å; A27-L31 PolarHBondContact O-N 2.92Å |
| 28 | N | 89.1 | Confident | 85.8 | Confident | 14 Ų | 14 | 50.7 Ų | 50.7 | 8% | 0.075 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.3 | -42.6 | 176.8 | -171.6 | 54.4 | 0 | 0 | 0 | 112.1 | G10 K11 F14 L17 E24 F25 M26 K30 L31 R32 | G10-N28 WeakPolarHBondContact CA-OD1 3.4Å; K11-N28 PolarHBondContact N-OD1 2.97Å; K11-N28 PolarHBondContact O-ND2 3.48Å; F14-N28 HydrophobicContact CE1-CB 4.19Å; F14-N28 WeakPolarHBondContact CE1-ND2 3.36Å; L17-N28 HydrophobicContact CD2-CB 4.16Å; E24-N28 WeakPolarHBondContact O-CB 3.47Å; E24-N28 PolarHBondContact O-N 3.49Å; F25-N28 PolarHBondContact O-N 2.84Å; M26-N28 VanDerWaalsContact C-N 3.35Å; M26-N28 PolarHBondContact O-N 3.33Å; N28-K30 VanDerWaalsContact C-N 3.34Å; N28-K30 PolarHBondContact O-N 3.33Å; N28-L31 PolarHBondContact O-N 3.18Å; N28-R32 WeakPolarHBondContact O-CB 3.45Å; N28-R32 VanDerWaalsContact O-CG 3.32Å; N28-R32 WeakPolarHBondContact O-CG 3.44Å; N28-R32 PolarHBondContact O-N 3.38Å |
| 29 | L | 89.4 | Confident | 86.8 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.6 | -43.6 | 177.4 | -166.7 | 74.8 | 0 | 0 | 0 | 111.3 | F14 F25 M26 F33 V47 V49 I595 F606 | F14-L29 HydrophobicContact CE2-CD1 4.45Å; F14-L29 HydrophobicContact CZ-CB 4.38Å; F14-L29 HydrophobicContact CZ-CD1 3.84Å; F25-L29 WeakPolarHBondContact O-CB 3.38Å; F25-L29 PolarHBondContact O-N 3.11Å; M26-L29 PolarHBondContact O-N 2.99Å; L29-F33 WeakPolarHBondContact O-CB 3.31Å; L29-F33 PolarHBondContact O-N 2.85Å; L29-V47 HydrophobicContact CD1-CG1 4.27Å; L29-V49 HydrophobicContact CD1-CG2 3.63Å; L29-V49 HydrophobicContact CD2-CG2 4.37Å; L29-V49 HydrophobicContact CG-CG2 4.07Å; L29-I595 HydrophobicContact CD1-CD1 4.47Å; L29-I595 HydrophobicContact CD2-CD1 3.85Å; L29-F606 HydrophobicContact CB-CZ 4.5Å; L29-F606 HydrophobicContact CD2-CE2 4.17Å; L29-F606 HydrophobicContact CD2-CZ 4.03Å; L29-F606 HydrophobicContact CG-CE2 4.31Å; L29-F606 HydrophobicContact CG-CZ 4.33Å |
| 30 | K | 89.9 | Confident | 87.4 | Confident | 89 Ų | 89 | 44.6 Ų | 44.6 | 39% | 0.387 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.3 | -49.5 | 177.1 | -177.2 | 177.3 | 173.1 | -179.6 | 0 | 111.9 | M26 A27 N28 R32 F33 E34 F606 | M26-K30 WeakPolarHBondContact O-CB 3.4Å; M26-K30 PolarHBondContact O-N 2.94Å; A27-K30 PolarHBondContact O-N 3.32Å; N28-K30 VanDerWaalsContact C-N 3.34Å; N28-K30 PolarHBondContact O-N 3.33Å; K30-R32 VanDerWaalsContact C-N 3.3Å; K30-R32 PolarHBondContact O-N 3.1Å; K30-F33 PolarHBondContact O-N 3.04Å; K30-E34 WeakPolarHBondContact CE-OE1 3.46Å; K30-E34 HydrophobicContact CG-CG 4.48Å; K30-E34 IonicContact NZ-OE1 2.66Å; K30-E34 WeakPolarHBondContact O-CG 3.48Å; K30-E34 PolarHBondContact O-N 3.2Å; K30-F606 HydrophobicContact CB-CD1 4Å; K30-F606 HydrophobicContact CB-CE1 3.82Å; K30-F606 HydrophobicContact CB-CZ 4.19Å; K30-F606 HydrophobicContact CD-CD1 4.11Å; K30-F606 HydrophobicContact CD-CE1 4.5Å; K30-F606 HydrophobicContact CG-CD1 3.86Å; K30-F606 HydrophobicContact CG-CE1 4.2Å; K30-F606 HydrophobicContact CG-CG 4.26Å |
| 31 | L | 89.3 | Confident | 88 | Confident | 61 Ų | 61 | 43.2 Ų | 43.2 | 32% | 0.319 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58.2 | -43.5 | 179.4 | -179.1 | 65.8 | 0 | 0 | 0 | 111.6 | A27 N28 K35 | A27-L31 WeakPolarHBondContact O-CB 3.41Å; A27-L31 PolarHBondContact O-N 2.92Å; N28-L31 PolarHBondContact O-N 3.18Å; L31-K35 VanDerWaalsContact O-CG 3.3Å; L31-K35 WeakPolarHBondContact O-CG 3.34Å; L31-K35 PolarHBondContact O-N 3.3Å |
| 32 | R | 88.9 | Confident | 88.1 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 1% | 0.011 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.6 | -44.4 | 177.1 | -74.2 | -175.4 | 72.9 | 71.7 | -0.8 | 112 | E5 F9 K11 N28 K30 K35 G36 R37 Y39 T40 | E5-R32 IonicContact OE2-CZ 3.43Å; E5-R32 IonicContact OE2-NH1 3.03Å; E5-R32 PolarHBondContact OE2-NH1 3.21Å; E5-R32 IonicContact OE2-NH2 3.78Å; E5-R32 PolarHBondContact OE2-NH2 3.33Å; F9-R32 WeakPolarHBondContact O-CG 3.46Å; F9-R32 PolarHBondContact O-NH1 3.5Å; F9-R32 VanDerWaalsContact O-NH1 3.17Å; K11-R32 WeakPolarHBondContact O-CD 3.1Å; N28-R32 WeakPolarHBondContact O-CB 3.45Å; N28-R32 VanDerWaalsContact O-CG 3.32Å; N28-R32 WeakPolarHBondContact O-CG 3.44Å; N28-R32 PolarHBondContact O-N 3.38Å; K30-R32 VanDerWaalsContact C-N 3.3Å; K30-R32 PolarHBondContact O-N 3.1Å; R32-K35 PolarHBondContact O-N 2.9Å; R32-G36 PolarHBondContact O-N 3.17Å; R32-R37 CarbonylContact C-O 3.5Å; R32-R37 VanDerWaalsContact C-O 3.31Å; R32-R37 HydrophobicContact CB-CB 4.3Å; R32-R37 WeakPolarHBondContact O-CA 3.36Å; R32-R37 PolarHBondContact O-N 2.74Å; R32-R37 VanDerWaalsContact O-O 3.14Å; R32-Y39 PolarHBondContact NE-O 3Å; R32-Y39 PolarHBondContact NH2-O 3.38Å; R32-T40 WeakPolarHBondContact CD-OG1 3.43Å; R32-T40 PolarHBondContact NE-OG1 3.34Å |
| 33 | F | 88.6 | Confident | 87.8 | Confident | 15 Ų | 15 | 40.7 Ų | 40.7 | 7% | 0.066 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.5 | -46.4 | 178.5 | -176.2 | -103.4 | 0 | 0 | 0 | 112.1 | L29 K30 K35 G36 V49 P597 P603 F606 | L29-F33 WeakPolarHBondContact O-CB 3.31Å; L29-F33 PolarHBondContact O-N 2.85Å; K30-F33 PolarHBondContact O-N 3.04Å; F33-K35 VanDerWaalsContact C-N 3.25Å; F33-K35 PolarHBondContact O-N 2.93Å; F33-G36 WeakPolarHBondContact O-CA 3.08Å; F33-G36 PolarHBondContact O-N 3.07Å; F33-V49 HydrophobicContact CD2-CB 4.12Å; F33-V49 HydrophobicContact CD2-CG1 3.5Å; F33-V49 HydrophobicContact CE2-CG1 3.76Å; F33-V49 HydrophobicContact CG-CG1 4.36Å; F33-P597 HydrophobicContact CE1-CB 4.24Å; F33-P597 HydrophobicContact CE2-CB 4.11Å; F33-P597 HydrophobicContact CE2-CG 3.94Å; F33-P597 HydrophobicContact CZ-CB 3.89Å; F33-P597 HydrophobicContact CZ-CG 3.79Å; F33-P603 WeakPolarHBondContact CZ-O 3.48Å; F33-F606 HydrophobicContact CB-CD2 4.27Å; F33-F606 HydrophobicContact CD1-CB 4.07Å; F33-F606 AromaticContact CD1-CD2 3.87Å; F33-F606 HydrophobicContact CD1-CD2 3.87Å; F33-F606 HydrophobicContact CD1-CG 4.4Å; F33-F606 HydrophobicContact CE1-CB 4.31Å; F33-F606 HydrophobicContact CE1-CD2 4.46Å; F33-F606 HydrophobicContact CG-CD2 4.1Å |
| 34 | E | 87.6 | Confident | 87.4 | Confident | 119 Ų | 119 | 35.4 Ų | 35.4 | 56% | 0.556 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -59.7 | -35 | 177.2 | -73.9 | 177 | 178 | 0 | 0 | 112.5 | K30 G36 | K30-E34 WeakPolarHBondContact CE-OE1 3.46Å; K30-E34 HydrophobicContact CG-CG 4.48Å; K30-E34 IonicContact NZ-OE1 2.66Å; K30-E34 WeakPolarHBondContact O-CG 3.48Å; K30-E34 PolarHBondContact O-N 3.2Å; E34-G36 PolarHBondContact O-N 3.47Å |
| 35 | K | 86 | Confident | 87.5 | Confident | 113 Ų | 113 | 32.5 Ų | 32.5 | 49% | 0.491 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 3.1 | 175.4 | -60.7 | -67.3 | -177.1 | -179.1 | 0 | 113.9 | F9 L31 R32 F33 | F9-K35 HydrophobicContact CD1-CB 3.67Å; F9-K35 HydrophobicContact CD1-CD 4.38Å; F9-K35 HydrophobicContact CD1-CG 3.95Å; F9-K35 HydrophobicContact CE1-CB 4.08Å; F9-K35 HydrophobicContact CE1-CD 4.37Å; F9-K35 HydrophobicContact CE1-CG 4.39Å; L31-K35 VanDerWaalsContact O-CG 3.3Å; L31-K35 WeakPolarHBondContact O-CG 3.34Å; L31-K35 PolarHBondContact O-N 3.3Å; R32-K35 PolarHBondContact O-N 2.9Å; F33-K35 VanDerWaalsContact C-N 3.25Å; F33-K35 PolarHBondContact O-N 2.93Å |
| 36 | G | 83.6 | Confident | 87.7 | Confident | 18 Ų | 18 | 32.4 Ų | 32.4 | 19% | 0.186 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | 17 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | R32 F33 E34 M55 | R32-G36 PolarHBondContact O-N 3.17Å; F33-G36 WeakPolarHBondContact O-CA 3.08Å; F33-G36 PolarHBondContact O-N 3.07Å; E34-G36 PolarHBondContact O-N 3.47Å; G36-M55 WeakPolarHBondContact O-CE 3.31Å |
| 37 | R | 87.1 | Confident | 87.8 | Confident | 108 Ų | 108 | 31.6 Ų | 31.6 | 41% | 0.408 | 16% | 0.158 | S | C | . | . | trans | -96.2 | 103.9 | 172.5 | -65.2 | -59 | -162.8 | -159.6 | -7 | 109.6 | E5 R32 | E5-R37 IonicContact OE1-CZ 2.83Å; E5-R37 VanDerWaalsContact OE1-CZ 3.31Å; E5-R37 IonicContact OE1-NE 2.93Å; E5-R37 PolarHBondContact OE1-NE 3.13Å; E5-R37 IonicContact OE1-NH2 3.78Å; E5-R37 PolarHBondContact OE1-NH2 3.13Å; R32-R37 CarbonylContact C-O 3.5Å; R32-R37 VanDerWaalsContact C-O 3.31Å; R32-R37 HydrophobicContact CB-CB 4.3Å; R32-R37 WeakPolarHBondContact O-CA 3.36Å; R32-R37 PolarHBondContact O-N 2.74Å; R32-R37 VanDerWaalsContact O-O 3.14Å | ||
| 38 | I | 90.8 | Very high | 88 | Confident | 7 Ų | 7 | 29.2 Ų | 29.2 | 4% | 0.036 | 14% | 0.138 | C | C | . | . | trans | -88 | -15.5 | -174.9 | 63.6 | 172 | 0 | 0 | 0 | 115.1 | V49 P51 I57 | I38-V49 WeakPolarHBondContact CB-O 3.36Å; I38-V49 PolarHBondContact O-N 2.95Å; I38-P51 HydrophobicContact CD1-CG 4.15Å; I38-P51 HydrophobicContact CG2-CB 3.86Å; I38-P51 HydrophobicContact CG2-CG 4.21Å; I38-I57 HydrophobicContact CD1-CD1 3.7Å; I38-I57 HydrophobicContact CG1-CD1 4.14Å | ||
| 39 | Y | 92.2 | Very high | 88.2 | Confident | 7 Ų | 7 | 28.7 Ų | 28.7 | 3% | 0.027 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 138.5 | -175.6 | -65.5 | -59.1 | 0 | 0 | 0 | 111.4 | R32 V46 V47 S48 I57 Y58 P76 H77 L78 | R32-Y39 PolarHBondContact NE-O 3Å; R32-Y39 PolarHBondContact NH2-O 3.38Å; Y39-V46 HydrophobicContact CD1-CG1 3.74Å; Y39-V46 HydrophobicContact CE1-CG1 4.36Å; Y39-V47 WeakPolarHBondContact CA-O 3.22Å; Y39-S48 WeakPolarHBondContact CE1-OG 3.4Å; Y39-I57 HydrophobicContact CE2-CD1 3.91Å; Y39-Y58 HydrophobicContact CE2-CE1 4.43Å; Y39-Y58 WeakPolarHBondContact OH-CE1 3.41Å; Y39-Y58 PolarHBondContact OH-OH 3.09Å; Y39-P76 VanDerWaalsContact CB-O 3.23Å; Y39-P76 WeakPolarHBondContact CB-O 3.37Å; Y39-P76 WeakPolarHBondContact O-CB 3.31Å; Y39-H77 AromaticContact CD2-CD2 3.62Å; Y39-H77 AromaticContact CE2-CD2 3.57Å; Y39-H77 AromaticContact CE2-NE2 3.65Å; Y39-L78 HydrophobicContact CE1-CB 4.1Å; Y39-L78 HydrophobicContact CE2-CB 4.48Å |
| 40 | T | 90.7 | Very high | 88.3 | Confident | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.012 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 143.2 | 175.7 | -47.1 | 0 | 0 | 0 | 0 | 109 | A12 F14 R32 V47 | A12-T40 WeakPolarHBondContact O-CG2 2.92Å; F14-T40 HydrophobicContact CD1-CG2 4.45Å; F14-T40 HydrophobicContact CD2-CG2 3.56Å; F14-T40 HydrophobicContact CE1-CG2 4.28Å; F14-T40 HydrophobicContact CE2-CG2 3.33Å; F14-T40 HydrophobicContact CG-CG2 4.15Å; F14-T40 HydrophobicContact CZ-CG2 3.72Å; R32-T40 WeakPolarHBondContact CD-OG1 3.43Å; R32-T40 PolarHBondContact NE-OG1 3.34Å; T40-V47 PolarHBondContact N-O 3.06Å; T40-V47 PolarHBondContact O-N 2.84Å |
| 41 | Y | 88.7 | Confident | 88.1 | Confident | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.008 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 155 | 177.3 | -67.2 | -48.3 | 0 | 0 | 0 | 112.6 | A12 D13 F14 V45 V46 L71 P76 H77 A80 | A12-Y41 PolarHBondContact O-N 2.8Å; D13-Y41 CarbonylContact C-O 3.31Å; D13-Y41 WeakPolarHBondContact CA-O 3.49Å; F14-Y41 WeakPolarHBondContact CD2-O 3.32Å; F14-Y41 PolarHBondContact N-O 2.84Å; Y41-V45 CarbonylContact C-O 3.55Å; Y41-V45 WeakPolarHBondContact CA-O 3.47Å; Y41-V46 HydrophobicContact CD1-CG2 3.48Å; Y41-V46 VanDerWaalsContact CD1-CG2 3.48Å; Y41-V46 HydrophobicContact CE1-CG2 3.34Å; Y41-L71 HydrophobicContact CE1-CD1 4.18Å; Y41-L71 HydrophobicContact CE1-CG 4.34Å; Y41-L71 WeakPolarHBondContact CE2-O 3.27Å; Y41-L71 PolarHBondContact OH-O 2.8Å; Y41-P76 HydrophobicContact CD1-CB 4.19Å; Y41-P76 HydrophobicContact CD2-CB 3.87Å; Y41-P76 HydrophobicContact CD2-CG 3.65Å; Y41-P76 HydrophobicContact CE1-CB 4.14Å; Y41-P76 VanDerWaalsContact CE2-CA 3.48Å; Y41-P76 HydrophobicContact CE2-CB 3.84Å; Y41-P76 HydrophobicContact CE2-CG 3.84Å; Y41-P76 HydrophobicContact CG-CB 4.04Å; Y41-P76 HydrophobicContact CG-CG 4.15Å; Y41-P76 VanDerWaalsContact CZ-CA 3.41Å; Y41-H77 PolarHBondContact OH-N 2.9Å; Y41-A80 WeakPolarHBondContact OH-CB 3.16Å |
| 42 | I | 86.3 | Confident | 88 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 81.7 | 157.5 | -55.5 | 170.9 | 0 | 0 | 0 | 105.2 | D13 F14 V15 F25 E44 V45 V47 L620 V624 R627 | D13-I42 WeakPolarHBondContact OD1-CA 3.02Å; F14-I42 HydrophobicContact CB-CG1 4Å; F14-I42 HydrophobicContact CD2-CD1 4.19Å; F14-I42 HydrophobicContact CD2-CG1 3.59Å; F14-I42 HydrophobicContact CG-CG1 4.24Å; V15-I42 HydrophobicContact CG2-CG2 4.22Å; F25-I42 HydrophobicContact CZ-CD1 4.46Å; I42-E44 PolarHBondContact O-N 2.75Å; I42-V45 HydrophobicContact CB-CB 4.21Å; I42-V45 PolarHBondContact N-O 3.16Å; I42-V45 PolarHBondContact O-N 3.11Å; I42-V47 HydrophobicContact CD1-CG2 3.58Å; I42-V47 HydrophobicContact CG1-CG2 3.95Å; I42-L620 HydrophobicContact CD1-CB 4.03Å; I42-L620 HydrophobicContact CD1-CD2 3.83Å; I42-L620 HydrophobicContact CD1-CG 4.36Å; I42-V624 HydrophobicContact CD1-CG2 4.23Å; I42-V624 HydrophobicContact CG1-CG2 4.21Å; I42-V624 HydrophobicContact CG2-CG2 3.68Å; I42-R627 PolarHBondContact O-NE 3.25Å |
| 43 | G | 78.5 | Confident | 87.8 | Confident | 5 Ų | 5 | 32.6 Ų | 32.6 | 5% | 0.052 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | -109.6 | -167 | 0 | 0 | 0 | 0 | 0 | 112.4 | D13 | D13-G43 PolarHBondContact OD1-N 3.04Å; D13-G43 PolarHBondContact OD2-N 3.24Å |
| 44 | E | 78 | Confident | 87.5 | Confident | 40 Ų | 40 | 36.7 Ų | 36.7 | 19% | 0.187 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 3.1 | -179.8 | -64.7 | 172.1 | -167.7 | 0 | 0 | 113.7 | I42 L71 I81 Q420 R634 | I42-E44 PolarHBondContact O-N 2.75Å; E44-L71 HydrophobicContact CB-CD2 4.37Å; E44-L71 HydrophobicContact CG-CD2 4.1Å; E44-I81 WeakPolarHBondContact O-CD1 3.33Å; E44-Q420 PolarHBondContact OE2-NE2 3.22Å; E44-R634 IonicContact OE1-NH2 3.47Å; E44-R634 PolarHBondContact OE1-NH2 2.79Å; E44-R634 VanDerWaalsContact OE1-NH2 3.17Å |
| 45 | V | 87.3 | Confident | 87.1 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 137.7 | 176.2 | -178.3 | 0 | 0 | 0 | 0 | 109.9 | Y41 I42 F413 Y591 R593 | Y41-V45 CarbonylContact C-O 3.55Å; Y41-V45 WeakPolarHBondContact CA-O 3.47Å; I42-V45 HydrophobicContact CB-CB 4.21Å; I42-V45 PolarHBondContact N-O 3.16Å; I42-V45 PolarHBondContact O-N 3.11Å; V45-F413 HydrophobicContact CG2-CE2 4.29Å; V45-F413 HydrophobicContact CG2-CZ 4.22Å; V45-Y591 HydrophobicContact CG2-CD2 4.48Å; V45-R593 HydrophobicContact CG1-CG 3.73Å |
| 46 | V | 91.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 127.2 | 172.2 | 167.6 | 0 | 0 | 0 | 0 | 110.5 | Y39 Y41 I81 Y591 V592 R593 | Y39-V46 HydrophobicContact CD1-CG1 3.74Å; Y39-V46 HydrophobicContact CE1-CG1 4.36Å; Y41-V46 HydrophobicContact CD1-CG2 3.48Å; Y41-V46 VanDerWaalsContact CD1-CG2 3.48Å; Y41-V46 HydrophobicContact CE1-CG2 3.34Å; V46-I81 HydrophobicContact CB-CG1 4.16Å; V46-I81 HydrophobicContact CG2-CD1 3.95Å; V46-I81 HydrophobicContact CG2-CG1 3.31Å; V46-Y591 PolarHBondContact N-O 3.43Å; V46-V592 CarbonylContact O-C 3.58Å; V46-V592 WeakPolarHBondContact O-CA 3.5Å; V46-R593 PolarHBondContact O-N 3.4Å |
| 47 | V | 92.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 128.1 | 164.9 | -176.6 | 0 | 0 | 0 | 0 | 108.6 | F14 L29 Y39 T40 I42 R593 I595 L620 | F14-V47 HydrophobicContact CD2-CG2 4.38Å; F14-V47 HydrophobicContact CE2-CB 4.26Å; F14-V47 HydrophobicContact CE2-CG2 4.06Å; L29-V47 HydrophobicContact CD1-CG1 4.27Å; Y39-V47 WeakPolarHBondContact CA-O 3.22Å; T40-V47 PolarHBondContact N-O 3.06Å; T40-V47 PolarHBondContact O-N 2.84Å; I42-V47 HydrophobicContact CD1-CG2 3.58Å; I42-V47 HydrophobicContact CG1-CG2 3.95Å; V47-R593 CarbonylContact C-O 3.57Å; V47-R593 VanDerWaalsContact CA-O 3.3Å; V47-R593 WeakPolarHBondContact CA-O 3.24Å; V47-I595 HydrophobicContact CG1-CD1 3.46Å; V47-I595 VanDerWaalsContact CG1-CD1 3.46Å; V47-I595 HydrophobicContact CG1-CG1 4.08Å; V47-L620 HydrophobicContact CG1-CD1 4.37Å; V47-L620 HydrophobicContact CG2-CD1 4.14Å; V47-L620 HydrophobicContact CG2-CD2 4.33Å |
| 48 | S | 92.9 | Very high | 86.8 | Confident | 9 Ų | 9 | 33.1 Ų | 33.1 | 6% | 0.063 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 115.5 | -177.6 | 177.1 | 0 | 0 | 0 | 0 | 110.2 | Y39 R593 C594 I595 | Y39-S48 WeakPolarHBondContact CE1-OG 3.4Å; S48-R593 PolarHBondContact N-O 2.8Å; S48-C594 CarbonylContact O-C 3.56Å; S48-C594 VanDerWaalsContact O-CA 3.28Å; S48-C594 WeakPolarHBondContact O-CA 3.12Å; S48-I595 PolarHBondContact O-N 3.1Å |
| 49 | V | 92.3 | Very high | 86.5 | Confident | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.018 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 129.8 | 174.8 | -172.4 | 0 | 0 | 0 | 0 | 110 | L29 F33 I38 P51 I595 P597 | L29-V49 HydrophobicContact CD1-CG2 3.63Å; L29-V49 HydrophobicContact CD2-CG2 4.37Å; L29-V49 HydrophobicContact CG-CG2 4.07Å; F33-V49 HydrophobicContact CD2-CB 4.12Å; F33-V49 HydrophobicContact CD2-CG1 3.5Å; F33-V49 HydrophobicContact CE2-CG1 3.76Å; F33-V49 HydrophobicContact CG-CG1 4.36Å; I38-V49 WeakPolarHBondContact CB-O 3.36Å; I38-V49 PolarHBondContact O-N 2.95Å; V49-P51 VanDerWaalsContact O-CD 3.24Å; V49-P51 WeakPolarHBondContact O-CD 3.29Å; V49-I595 WeakPolarHBondContact CA-O 3.41Å; V49-I595 HydrophobicContact CG2-CB 4.39Å; V49-P597 HydrophobicContact CG1-CB 3.89Å; V49-P597 HydrophobicContact CG1-CG 4.03Å |
| 50 | N | 90.6 | Very high | 86 | Confident | 31 Ų | 31 | 45 Ų | 45 | 17% | 0.166 | 23% | 0.225 | C | C | . | . | trans | -67.5 | 116.9 | -178.8 | -172.8 | -6.6 | 0 | 0 | 0 | 111.7 | Y52 G105 I595 P597 | N50-Y52 VanDerWaalsContact C-N 3.33Å; N50-Y52 VanDerWaalsContact ND2-CE1 3.33Å; N50-Y52 WeakPolarHBondContact ND2-CE1 3.41Å; N50-Y52 PolarHBondContact O-N 3.24Å; N50-Y52 PolarHBondContact OD1-N 3.07Å; N50-G105 PolarHBondContact ND2-O 3.02Å; N50-I595 PolarHBondContact N-O 3.13Å; N50-P597 WeakPolarHBondContact O-CD 3.34Å; N50-P597 WeakPolarHBondContact O-CG 3.03Å | ||
| 51 | P | 87.4 | Confident | 85.7 | Confident | 18 Ų | 18 | 50 Ų | 50 | 12% | 0.117 | 25% | 0.252 | C | S | . | . | trans | -76.1 | -13.1 | -180 | 28.9 | -33.4 | 0 | 0 | 0 | 114.9 | I38 V49 R53 M55 P603 | I38-P51 HydrophobicContact CD1-CG 4.15Å; I38-P51 HydrophobicContact CG2-CB 3.86Å; I38-P51 HydrophobicContact CG2-CG 4.21Å; V49-P51 VanDerWaalsContact O-CD 3.24Å; V49-P51 WeakPolarHBondContact O-CD 3.29Å; P51-R53 HydrophobicContact CB-CG 4.17Å; P51-R53 PolarHBondContact O-N 2.66Å; P51-M55 HydrophobicContact CB-CG 4.21Å; P51-M55 HydrophobicContact CG-CG 4.23Å; P51-P603 WeakPolarHBondContact O-CA 3.24Å; P51-P603 VanDerWaalsContact O-CB 3.31Å; P51-P603 WeakPolarHBondContact O-CB 3.41Å | ||
| 52 | Y | 86.2 | Confident | 85.5 | Confident | 55 Ų | 55 | 50.8 Ų | 50.8 | 22% | 0.216 | 26% | 0.257 | C | S | . | . | S | Bend | trans | 51.7 | 17.8 | -170.8 | -62.6 | -65.6 | 0 | 0 | 0 | 115.5 | N50 K596 P597 N598 K601 S602 | N50-Y52 VanDerWaalsContact C-N 3.33Å; N50-Y52 VanDerWaalsContact ND2-CE1 3.33Å; N50-Y52 WeakPolarHBondContact ND2-CE1 3.41Å; N50-Y52 PolarHBondContact O-N 3.24Å; N50-Y52 PolarHBondContact OD1-N 3.07Å; Y52-K596 WeakPolarHBondContact OH-CE 3.41Å; Y52-K596 WeakPolarHBondContact OH-CG 3.32Å; Y52-P597 HydrophobicContact CD2-CG 4.03Å; Y52-P597 HydrophobicContact CE2-CG 3.69Å; Y52-N598 PolarHBondContact OH-O 3.23Å; Y52-K601 HydrophobicContact CD1-CB 3.97Å; Y52-K601 HydrophobicContact CD1-CG 4.42Å; Y52-K601 HydrophobicContact CE1-CB 3.9Å; Y52-K601 HydrophobicContact CE1-CG 3.91Å; Y52-K601 HydrophobicContact CG-CB 4.4Å; Y52-S602 WeakPolarHBondContact CD2-O 3.4Å |
| 53 | R | 85.8 | Confident | 85.4 | Confident | 132 Ų | 132 | 51.7 Ų | 51.7 | 50% | 0.498 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -143.4 | 151.7 | 174 | 66.6 | 178.7 | -178 | -178.5 | -1.3 | 110.6 | P51 M55 P603 | P51-R53 HydrophobicContact CB-CG 4.17Å; P51-R53 PolarHBondContact O-N 2.66Å; R53-M55 HydrophobicContact CG-CG 4.31Å; R53-M55 HydrophobicContact CG-SD 4.02Å; R53-M55 PolarHBondContact NE-SD 2.98Å; R53-M55 PolarHBondContact O-N 3.14Å; R53-P603 HydrophobicContact CB-CB 4.36Å; R53-P603 HydrophobicContact CG-CB 4.41Å |
| 54 | A | 80.7 | Confident | 85.6 | Confident | 101 Ų | 101 | 58.3 Ų | 58.3 | 84% | 0.835 | 29% | 0.292 | S | S | * | . | trans | -67.5 | 124.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 55 | M | 80.8 | Confident | 85.9 | Confident | 39 Ų | 39 | 61.1 Ų | 61.1 | 19% | 0.192 | 31% | 0.305 | C | S | . | . | trans | -110.6 | 140 | 178.9 | -67.9 | -71.3 | -74.1 | 0 | 0 | 109.4 | G36 P51 R53 I57 | G36-M55 WeakPolarHBondContact O-CE 3.31Å; P51-M55 HydrophobicContact CB-CG 4.21Å; P51-M55 HydrophobicContact CG-CG 4.23Å; R53-M55 HydrophobicContact CG-CG 4.31Å; R53-M55 HydrophobicContact CG-SD 4.02Å; R53-M55 PolarHBondContact NE-SD 2.98Å; R53-M55 PolarHBondContact O-N 3.14Å; M55-I57 HydrophobicContact CB-CD1 4.01Å; M55-I57 HydrophobicContact CB-CG1 3.89Å; M55-I57 HydrophobicContact CB-CG2 4.33Å; M55-I57 PolarHBondContact O-N 3.13Å | ||
| 56 | N | 81.1 | Confident | 85.7 | Confident | 162 Ų | 162 | 61.9 Ų | 61.9 | 87% | 0.866 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | 34.7 | 178.7 | -67.2 | -14.9 | 0 | 0 | 0 | 113.3 | ||
| 57 | I | 84.1 | Confident | 85.2 | Confident | 35 Ų | 35 | 66.8 Ų | 66.8 | 18% | 0.179 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -10.5 | -178.2 | 62.3 | -178 | 0 | 0 | 0 | 112.9 | I38 Y39 M55 T62 H77 | I38-I57 HydrophobicContact CD1-CD1 3.7Å; I38-I57 HydrophobicContact CG1-CD1 4.14Å; Y39-I57 HydrophobicContact CE2-CD1 3.91Å; M55-I57 HydrophobicContact CB-CD1 4.01Å; M55-I57 HydrophobicContact CB-CG1 3.89Å; M55-I57 HydrophobicContact CB-CG2 4.33Å; M55-I57 PolarHBondContact O-N 3.13Å; I57-T62 WeakPolarHBondContact O-CB 3.42Å; I57-T62 WeakPolarHBondContact O-CG2 3.44Å; I57-T62 PolarHBondContact O-OG1 3.37Å; I57-H77 PolarHBondContact O-NE2 3Å |
| 58 | Y | 84.6 | Confident | 84.2 | Confident | 47 Ų | 47 | 68.9 Ų | 68.9 | 18% | 0.184 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -104.2 | 27.4 | -178.5 | -50.4 | -72.1 | 0 | 0 | 0 | 112.7 | Y39 H77 F79 Y114 | Y39-Y58 HydrophobicContact CE2-CE1 4.43Å; Y39-Y58 WeakPolarHBondContact OH-CE1 3.41Å; Y39-Y58 PolarHBondContact OH-OH 3.09Å; Y58-H77 AromaticContact CD1-CE1 3.98Å; Y58-F79 HydrophobicContact CD1-CE1 4.18Å; Y58-F79 HydrophobicContact CD1-CE2 4.4Å; Y58-F79 AromaticContact CD1-CZ 3.77Å; Y58-F79 HydrophobicContact CD1-CZ 3.77Å; Y58-F79 HydrophobicContact CG-CZ 4.48Å; Y58-Y114 AromaticContact CD1-CD1 3.55Å; Y58-Y114 HydrophobicContact CD1-CD1 3.55Å; Y58-Y114 HydrophobicContact CD1-CD2 4.05Å; Y58-Y114 AromaticContact CD1-CE1 3.86Å; Y58-Y114 HydrophobicContact CD1-CE1 3.86Å; Y58-Y114 HydrophobicContact CD1-CE2 4.35Å; Y58-Y114 AromaticContact CD1-CG 3.67Å; Y58-Y114 HydrophobicContact CD1-CG 3.67Å; Y58-Y114 HydrophobicContact CD2-CD1 4.07Å; Y58-Y114 HydrophobicContact CD2-CD2 4.47Å; Y58-Y114 AromaticContact CD2-CE1 3.47Å; Y58-Y114 HydrophobicContact CD2-CE1 3.47Å; Y58-Y114 VanDerWaalsContact CD2-CE1 3.47Å; Y58-Y114 AromaticContact CD2-CE2 3.96Å; Y58-Y114 HydrophobicContact CD2-CE2 3.96Å; Y58-Y114 AromaticContact CD2-CZ 3.42Å; Y58-Y114 VanDerWaalsContact CD2-CZ 3.42Å; Y58-Y114 AromaticContact CE1-CD1 3.99Å; Y58-Y114 HydrophobicContact CE1-CD1 3.99Å; Y58-Y114 AromaticContact CE1-CD2 3.58Å; Y58-Y114 HydrophobicContact CE1-CD2 3.58Å; Y58-Y114 HydrophobicContact CE1-CE1 4.28Å; Y58-Y114 AromaticContact CE1-CE2 3.93Å; Y58-Y114 HydrophobicContact CE1-CE2 3.93Å; Y58-Y114 AromaticContact CE1-CG 3.64Å; Y58-Y114 HydrophobicContact CE1-CG 3.64Å; Y58-Y114 HydrophobicContact CE2-CD1 4.45Å; Y58-Y114 HydrophobicContact CE2-CD2 4.04Å; Y58-Y114 AromaticContact CE2-CE1 3.92Å; Y58-Y114 HydrophobicContact CE2-CE1 3.92Å; Y58-Y114 AromaticContact CE2-CE2 3.49Å; Y58-Y114 HydrophobicContact CE2-CE2 3.49Å; Y58-Y114 VanDerWaalsContact CE2-CE2 3.49Å; Y58-Y114 AromaticContact CE2-CZ 3.42Å; Y58-Y114 VanDerWaalsContact CE2-CZ 3.42Å; Y58-Y114 AromaticContact CG-CD1 3.58Å; Y58-Y114 HydrophobicContact CG-CD1 3.58Å; Y58-Y114 HydrophobicContact CG-CD2 4.45Å; Y58-Y114 AromaticContact CG-CE1 3.41Å; Y58-Y114 HydrophobicContact CG-CE1 3.41Å; Y58-Y114 VanDerWaalsContact CG-CE1 3.41Å; Y58-Y114 HydrophobicContact CG-CE2 4.34Å; Y58-Y114 HydrophobicContact CG-CG 4.12Å; Y58-Y114 AromaticContact CG-CZ 3.85Å; Y58-Y114 AromaticContact CZ-CD2 3.55Å; Y58-Y114 AromaticContact CZ-CE2 3.45Å; Y58-Y114 VanDerWaalsContact CZ-CE2 3.45Å; Y58-Y114 AromaticContact CZ-CZ 3.85Å |
| 59 | S | 84.1 | Confident | 83.2 | Confident | 44 Ų | 44 | 74.3 Ų | 74.3 | 31% | 0.308 | 37% | 0.37 | S | S | . | . | trans | -71.5 | 159.4 | 179 | 75.3 | 0 | 0 | 0 | 0 | 112 | D61 T62 V63 | S59-D61 VanDerWaalsContact C-N 3.25Å; S59-D61 PolarHBondContact O-N 3.35Å; S59-T62 WeakPolarHBondContact O-CB 3.24Å; S59-T62 PolarHBondContact O-N 2.78Å; S59-T62 VanDerWaalsContact O-N 3.11Å; S59-T62 PolarHBondContact OG-N 3.16Å; S59-T62 PolarHBondContact OG-OG1 2.87Å; S59-V63 PolarHBondContact O-N 3.45Å | ||
| 60 | R | 81.3 | Confident | 82.1 | Confident | 219 Ų | 219 | 78.4 Ų | 78.4 | 83% | 0.826 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -59.4 | -37.5 | 173.9 | -74.3 | -170.9 | -179.3 | 178.3 | 1 | 112.1 | T62 V63 E64 | R60-T62 PolarHBondContact O-N 3.22Å; R60-V63 WeakPolarHBondContact O-CB 3.39Å; R60-V63 PolarHBondContact O-N 3.19Å; R60-E64 PolarHBondContact O-N 3.13Å; R60-E64 VanDerWaalsContact O-N 3.1Å |
| 61 | D | 84.9 | Confident | 80.9 | Confident | 109 Ų | 109 | 77.8 Ų | 77.8 | 58% | 0.583 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -60.1 | -38.5 | 176.5 | -56.1 | -15 | 0 | 0 | 0 | 111.1 | S59 E64 Q65 | S59-D61 VanDerWaalsContact C-N 3.25Å; S59-D61 PolarHBondContact O-N 3.35Å; D61-E64 PolarHBondContact O-N 3.37Å; D61-Q65 VanDerWaalsContact O-CG 3.26Å; D61-Q65 WeakPolarHBondContact O-CG 3.13Å; D61-Q65 PolarHBondContact O-N 3.01Å |
| 62 | T | 84 | Confident | 80 | Confident | 18 Ų | 18 | 80.9 Ų | 80.9 | 11% | 0.11 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -66.2 | -40.1 | 175.2 | -43.9 | 0 | 0 | 0 | 0 | 111.1 | I57 S59 R60 E64 Q65 Y66 F79 | I57-T62 WeakPolarHBondContact O-CB 3.42Å; I57-T62 WeakPolarHBondContact O-CG2 3.44Å; I57-T62 PolarHBondContact O-OG1 3.37Å; S59-T62 WeakPolarHBondContact O-CB 3.24Å; S59-T62 PolarHBondContact O-N 2.78Å; S59-T62 VanDerWaalsContact O-N 3.11Å; S59-T62 PolarHBondContact OG-N 3.16Å; S59-T62 PolarHBondContact OG-OG1 2.87Å; R60-T62 PolarHBondContact O-N 3.22Å; T62-E64 VanDerWaalsContact C-N 3.31Å; T62-E64 PolarHBondContact O-N 3.16Å; T62-Q65 PolarHBondContact O-N 3.04Å; T62-Y66 HydrophobicContact CG2-CD2 3.74Å; T62-Y66 HydrophobicContact CG2-CE2 3.62Å; T62-Y66 VanDerWaalsContact O-CD2 3.25Å; T62-Y66 WeakPolarHBondContact O-CD2 3.46Å; T62-Y66 PolarHBondContact O-N 3.19Å; T62-F79 HydrophobicContact CG2-CD2 4.25Å; T62-F79 HydrophobicContact CG2-CE2 4.39Å |
| 63 | V | 84.8 | Confident | 79.1 | Confident | 18 Ų | 18 | 80.5 Ų | 80.5 | 11% | 0.109 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -56.3 | -46.9 | 174.4 | 177.2 | 0 | 0 | 0 | 0 | 110.8 | S59 R60 Q65 Y66 K67 F79 Y118 A121 I122 | S59-V63 PolarHBondContact O-N 3.45Å; R60-V63 WeakPolarHBondContact O-CB 3.39Å; R60-V63 PolarHBondContact O-N 3.19Å; V63-Q65 VanDerWaalsContact C-N 3.35Å; V63-Q65 PolarHBondContact O-N 3.34Å; V63-Y66 PolarHBondContact O-N 3.45Å; V63-K67 WeakPolarHBondContact O-CB 3.32Å; V63-K67 PolarHBondContact O-N 3.41Å; V63-F79 HydrophobicContact CG2-CD2 4.34Å; V63-F79 HydrophobicContact CG2-CE2 3.82Å; V63-F79 HydrophobicContact CG2-CZ 4.17Å; V63-Y118 HydrophobicContact CB-CD2 4.35Å; V63-Y118 HydrophobicContact CB-CE2 4.35Å; V63-Y118 HydrophobicContact CG1-CD2 3.83Å; V63-Y118 HydrophobicContact CG1-CE2 3.74Å; V63-Y118 HydrophobicContact CG2-CD2 4.16Å; V63-A121 HydrophobicContact CG1-CB 3.88Å; V63-I122 HydrophobicContact CG1-CG2 4.37Å |
| 64 | E | 83.7 | Confident | 78.5 | Confident | 145 Ų | 145 | 77.2 Ų | 77.2 | 68% | 0.678 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -65.7 | -35 | 178.7 | -67.6 | -175.4 | 179.9 | 0 | 0 | 113.2 | R60 D61 T62 Y66 | R60-E64 PolarHBondContact O-N 3.13Å; R60-E64 VanDerWaalsContact O-N 3.1Å; D61-E64 PolarHBondContact O-N 3.37Å; T62-E64 VanDerWaalsContact C-N 3.31Å; T62-E64 PolarHBondContact O-N 3.16Å; E64-Y66 VanDerWaalsContact C-N 3.3Å; E64-Y66 PolarHBondContact O-N 3.37Å |
| 65 | Q | 82.4 | Confident | 78.5 | Confident | 99 Ų | 99 | 74.1 Ų | 74.1 | 46% | 0.463 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.4 | -30.9 | 178 | -75.1 | 173.9 | 22.1 | 0 | 0 | 113.7 | D61 T62 V63 R69 R74 | D61-Q65 VanDerWaalsContact O-CG 3.26Å; D61-Q65 WeakPolarHBondContact O-CG 3.13Å; D61-Q65 PolarHBondContact O-N 3.01Å; T62-Q65 PolarHBondContact O-N 3.04Å; V63-Q65 VanDerWaalsContact C-N 3.35Å; V63-Q65 PolarHBondContact O-N 3.34Å; Q65-R69 WeakPolarHBondContact O-CG 3.17Å; Q65-R74 PolarHBondContact O-NE 3.19Å; Q65-R74 VanDerWaalsContact O-NE 3.12Å |
| 66 | Y | 83.4 | Confident | 78.8 | Confident | 15 Ų | 15 | 72.7 Ų | 72.7 | 6% | 0.059 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -92.9 | -23.6 | -179.6 | -79.1 | -97 | 0 | 0 | 0 | 112.8 | T62 V63 E64 G68 R69 R74 P75 H77 F79 A80 | T62-Y66 HydrophobicContact CG2-CD2 3.74Å; T62-Y66 HydrophobicContact CG2-CE2 3.62Å; T62-Y66 VanDerWaalsContact O-CD2 3.25Å; T62-Y66 WeakPolarHBondContact O-CD2 3.46Å; T62-Y66 PolarHBondContact O-N 3.19Å; V63-Y66 PolarHBondContact O-N 3.45Å; E64-Y66 VanDerWaalsContact C-N 3.3Å; E64-Y66 PolarHBondContact O-N 3.37Å; Y66-G68 PolarHBondContact O-N 2.85Å; Y66-R69 PolarHBondContact O-N 3.5Å; Y66-R74 HydrophobicContact CD1-CB 3.88Å; Y66-R74 HydrophobicContact CD1-CG 4.26Å; Y66-R74 HydrophobicContact CE1-CB 3.4Å; Y66-R74 VanDerWaalsContact CE1-CB 3.4Å; Y66-R74 HydrophobicContact CE1-CG 4.21Å; Y66-P75 WeakPolarHBondContact CE1-O 3.49Å; Y66-P75 WeakPolarHBondContact OH-CG 3.49Å; Y66-P75 PolarHBondContact OH-O 3.08Å; Y66-H77 HydrophobicContact CD1-CB 4.27Å; Y66-H77 HydrophobicContact CE1-CB 3.45Å; Y66-H77 VanDerWaalsContact CE1-CB 3.45Å; Y66-H77 HydrophobicContact CE2-CB 4.3Å; Y66-H77 VanDerWaalsContact CZ-CB 3.46Å; Y66-H77 WeakPolarHBondContact OH-CB 3.49Å; Y66-F79 HydrophobicContact CD1-CB 4.46Å; Y66-F79 HydrophobicContact CG-CB 4.21Å; Y66-A80 HydrophobicContact CD1-CB 3.92Å; Y66-A80 HydrophobicContact CE1-CB 4.09Å |
| 67 | K | 81.6 | Confident | 79.2 | Confident | 104 Ų | 104 | 65.3 Ų | 65.3 | 45% | 0.452 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 122.8 | 178.6 | -172.2 | 174.8 | -175.2 | 170.8 | 0 | 112.2 | V63 R69 Y118 I122 | V63-K67 WeakPolarHBondContact O-CB 3.32Å; V63-K67 PolarHBondContact O-N 3.41Å; K67-R69 VanDerWaalsContact C-N 3.27Å; K67-R69 PolarHBondContact O-N 2.87Å; K67-Y118 WeakPolarHBondContact CA-OH 3.27Å; K67-Y118 PolarHBondContact N-OH 3.42Å; K67-I122 HydrophobicContact CD-CG2 4.48Å; K67-I122 HydrophobicContact CG-CG2 4.36Å |
| 68 | G | 71.3 | Confident | 79.5 | Confident | 44 Ų | 44 | 63.7 Ų | 63.7 | 45% | 0.454 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | 2.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y66 D83 K87 | Y66-G68 PolarHBondContact O-N 2.85Å; G68-D83 PolarHBondContact N-OD1 2.97Å; G68-D83 PolarHBondContact N-OD2 2.89Å; G68-K87 PolarHBondContact O-NZ 3.44Å |
| 69 | R | 73 | Confident | 79.8 | Confident | 122 Ų | 122 | 61.6 Ų | 61.6 | 46% | 0.46 | 29% | 0.292 | S | S | . | . | trans | -97.3 | 142.9 | -174.7 | -60.1 | -65.4 | 179.4 | 175.4 | -0.8 | 113.3 | Q65 Y66 K67 E73 R74 D83 K87 | Q65-R69 WeakPolarHBondContact O-CG 3.17Å; Y66-R69 PolarHBondContact O-N 3.5Å; K67-R69 VanDerWaalsContact C-N 3.27Å; K67-R69 PolarHBondContact O-N 2.87Å; R69-E73 WeakPolarHBondContact CA-OE2 3.34Å; R69-E73 HydrophobicContact CB-CB 4.36Å; R69-E73 WeakPolarHBondContact CB-OE2 3.48Å; R69-E73 WeakPolarHBondContact CD-OE2 3.47Å; R69-R74 HydrophobicContact CB-CG 4.3Å; R69-R74 HydrophobicContact CG-CG 4.43Å; R69-D83 PolarHBondContact N-OD2 3.41Å; R69-K87 VanDerWaalsContact N-NZ 3.15Å; R69-K87 PolarHBondContact O-NZ 3.38Å | ||
| 70 | E | 68.4 | Low | 80 | Confident | 90 Ų | 90 | 59.8 Ų | 59.8 | 42% | 0.421 | 28% | 0.28 | S | S | . | . | trans | -67.7 | 153.5 | 177.6 | -66 | -69.1 | 154.6 | 0 | 0 | 111.9 | Y72 E73 R91 | E70-Y72 PolarHBondContact O-N 3.42Å; E70-E73 HydrophobicContact CB-CG 4.04Å; E70-E73 PolarHBondContact N-OE2 2.79Å; E70-E73 WeakPolarHBondContact O-CB 3.43Å; E70-E73 PolarHBondContact O-N 2.71Å; E70-R91 IonicContact OE1-NH1 3.76Å | ||
| 71 | L | 65.9 | Low | 80.4 | Confident | 17 Ų | 17 | 49.4 Ų | 49.4 | 9% | 0.089 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -32.9 | -170.8 | -165.7 | 75.4 | 0 | 0 | 0 | 114.2 | Y41 E44 A80 I81 A84 | Y41-L71 HydrophobicContact CE1-CD1 4.18Å; Y41-L71 HydrophobicContact CE1-CG 4.34Å; Y41-L71 WeakPolarHBondContact CE2-O 3.27Å; Y41-L71 PolarHBondContact OH-O 2.8Å; E44-L71 HydrophobicContact CB-CD2 4.37Å; E44-L71 HydrophobicContact CG-CD2 4.1Å; L71-A80 HydrophobicContact CD1-CB 3.84Å; L71-I81 HydrophobicContact CD1-CD1 3.73Å; L71-I81 HydrophobicContact CD1-CG1 4.34Å; L71-A84 HydrophobicContact CD1-CB 4.48Å |
| 72 | Y | 68 | Low | 80.6 | Confident | 83 Ų | 83 | 44.2 Ų | 44.2 | 33% | 0.325 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | 0.3 | -178.1 | -55.1 | -75.2 | 0 | 0 | 0 | 114.4 | A2 E70 | A2-Y72 WeakPolarHBondContact CB-O 3.38Å; E70-Y72 PolarHBondContact O-N 3.42Å |
| 73 | E | 66.8 | Low | 80.7 | Confident | 48 Ų | 48 | 43.5 Ų | 43.5 | 22% | 0.224 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -41.1 | 178.4 | -76.5 | 177.5 | -174.1 | 0 | 0 | 111.9 | M1 A2 R69 E70 R639 | M1-E73 PolarHBondContact N-O 2.97Å; A2-E73 PolarHBondContact N-O 3.3Å; R69-E73 WeakPolarHBondContact CA-OE2 3.34Å; R69-E73 HydrophobicContact CB-CB 4.36Å; R69-E73 WeakPolarHBondContact CB-OE2 3.48Å; R69-E73 WeakPolarHBondContact CD-OE2 3.47Å; E70-E73 HydrophobicContact CB-CG 4.04Å; E70-E73 PolarHBondContact N-OE2 2.79Å; E70-E73 WeakPolarHBondContact O-CB 3.43Å; E70-E73 PolarHBondContact O-N 2.71Å; E73-R639 IonicContact OE1-CZ 3.43Å; E73-R639 IonicContact OE1-NH1 2.83Å; E73-R639 IonicContact OE1-NH2 3.12Å; E73-R639 PolarHBondContact OE1-NH2 3.43Å |
| 74 | R | 73.9 | Confident | 80.7 | Confident | 62 Ų | 62 | 43.6 Ų | 43.6 | 23% | 0.234 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -112.1 | 153.6 | -173.2 | -64.5 | -58.2 | -168.2 | -172 | 0.7 | 110.9 | A2 Q65 Y66 R69 | A2-R74 VanDerWaalsContact CB-O 3.31Å; A2-R74 WeakPolarHBondContact CB-O 3.31Å; Q65-R74 PolarHBondContact O-NE 3.19Å; Q65-R74 VanDerWaalsContact O-NE 3.12Å; Y66-R74 HydrophobicContact CD1-CB 3.88Å; Y66-R74 HydrophobicContact CD1-CG 4.26Å; Y66-R74 HydrophobicContact CE1-CB 3.4Å; Y66-R74 VanDerWaalsContact CE1-CB 3.4Å; Y66-R74 HydrophobicContact CE1-CG 4.21Å; R69-R74 HydrophobicContact CB-CG 4.3Å; R69-R74 HydrophobicContact CG-CG 4.43Å |
| 75 | P | 80.4 | Confident | 80.9 | Confident | 36 Ų | 36 | 36.7 Ų | 36.7 | 23% | 0.234 | 18% | 0.179 | C | C | . | . | trans | -60 | 158.1 | 179.6 | 24.8 | -31.7 | 0 | 0 | 0 | 111.3 | Y66 H77 | Y66-P75 WeakPolarHBondContact CE1-O 3.49Å; Y66-P75 WeakPolarHBondContact OH-CG 3.49Å; Y66-P75 PolarHBondContact OH-O 3.08Å; P75-H77 PolarHBondContact O-N 3.15Å | ||
| 76 | P | 87.1 | Confident | 81 | Confident | 9 Ų | 9 | 32.9 Ų | 32.9 | 6% | 0.058 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -51.5 | 125.5 | -175.7 | -24.1 | 31 | 0 | 0 | 0 | 112.8 | A12 Y39 Y41 | A12-P76 HydrophobicContact CB-CG 3.73Å; A12-P76 VanDerWaalsContact O-CG 3.26Å; A12-P76 WeakPolarHBondContact O-CG 3.3Å; Y39-P76 VanDerWaalsContact CB-O 3.23Å; Y39-P76 WeakPolarHBondContact CB-O 3.37Å; Y39-P76 WeakPolarHBondContact O-CB 3.31Å; Y41-P76 HydrophobicContact CD1-CB 4.19Å; Y41-P76 HydrophobicContact CD2-CB 3.87Å; Y41-P76 HydrophobicContact CD2-CG 3.65Å; Y41-P76 HydrophobicContact CE1-CB 4.14Å; Y41-P76 VanDerWaalsContact CE2-CA 3.48Å; Y41-P76 HydrophobicContact CE2-CB 3.84Å; Y41-P76 HydrophobicContact CE2-CG 3.84Å; Y41-P76 HydrophobicContact CG-CB 4.04Å; Y41-P76 HydrophobicContact CG-CG 4.15Å; Y41-P76 VanDerWaalsContact CZ-CA 3.41Å |
| 77 | H | 90.1 | Very high | 81 | Confident | 8 Ų | 8 | 33.2 Ų | 33.2 | 4% | 0.037 | 16% | 0.162 | C | C | . | . | trans | -156.9 | 151 | 178.4 | -157.6 | -96 | 0 | 0 | 0 | 111.5 | Y39 Y41 I57 Y58 Y66 P75 F79 A80 | Y39-H77 AromaticContact CD2-CD2 3.62Å; Y39-H77 AromaticContact CE2-CD2 3.57Å; Y39-H77 AromaticContact CE2-NE2 3.65Å; Y41-H77 PolarHBondContact OH-N 2.9Å; I57-H77 PolarHBondContact O-NE2 3Å; Y58-H77 AromaticContact CD1-CE1 3.98Å; Y66-H77 HydrophobicContact CD1-CB 4.27Å; Y66-H77 HydrophobicContact CE1-CB 3.45Å; Y66-H77 VanDerWaalsContact CE1-CB 3.45Å; Y66-H77 HydrophobicContact CE2-CB 4.3Å; Y66-H77 VanDerWaalsContact CZ-CB 3.46Å; Y66-H77 WeakPolarHBondContact OH-CB 3.49Å; P75-H77 PolarHBondContact O-N 3.15Å; H77-F79 VanDerWaalsContact C-N 3.26Å; H77-F79 AromaticContact CE1-CD2 3.36Å; H77-F79 WeakPolarHBondContact CE1-CD2 3.44Å; H77-F79 AromaticContact CE1-CE2 3.64Å; H77-F79 AromaticContact CE1-CG 3.56Å; H77-F79 WeakPolarHBondContact ND1-CB 3.29Å; H77-F79 AromaticContact ND1-CD1 3.98Å; H77-F79 AromaticContact ND1-CD2 3.42Å; H77-F79 WeakPolarHBondContact ND1-CD2 3.2Å; H77-F79 AromaticContact ND1-CG 3.3Å; H77-F79 VanDerWaalsContact ND1-CG 3.3Å; H77-F79 WeakPolarHBondContact ND1-CG 3.21Å; H77-F79 PolarHBondContact ND1-N 2.66Å; H77-F79 VanDerWaalsContact ND1-N 3.18Å; H77-F79 PolarHBondContact O-N 2.75Å; H77-A80 WeakPolarHBondContact O-CB 3.49Å; H77-A80 PolarHBondContact O-N 2.9Å; H77-A80 VanDerWaalsContact O-N 3.1Å | ||
| 78 | L | 90.6 | Very high | 80.9 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.2 | -37.3 | 176.8 | -166.4 | 70.2 | 0 | 0 | 0 | 112.8 | Y39 A80 I81 A82 A111 I115 V592 | Y39-L78 HydrophobicContact CE1-CB 4.1Å; Y39-L78 HydrophobicContact CE2-CB 4.48Å; L78-A80 PolarHBondContact O-N 3.3Å; L78-I81 PolarHBondContact O-N 3.24Å; L78-I81 VanDerWaalsContact O-N 3.14Å; L78-A82 PolarHBondContact O-N 3.07Å; L78-A82 VanDerWaalsContact O-N 3.13Å; L78-A111 HydrophobicContact CD1-CB 4.38Å; L78-A111 HydrophobicContact CD2-CB 3.96Å; L78-A111 WeakPolarHBondContact CD2-O 3.44Å; L78-I115 HydrophobicContact CD1-CD1 3.82Å; L78-I115 HydrophobicContact CD1-CG1 4.04Å; L78-I115 HydrophobicContact CD2-CD1 4.18Å; L78-I115 HydrophobicContact CD2-CG1 3.75Å; L78-I115 HydrophobicContact CG-CD1 4.02Å; L78-I115 HydrophobicContact CG-CG1 3.65Å; L78-V592 HydrophobicContact CD1-CB 4.37Å; L78-V592 HydrophobicContact CD1-CG1 3.74Å; L78-V592 HydrophobicContact CD1-CG2 3.67Å |
| 79 | F | 90.6 | Very high | 81.5 | Confident | 4 Ų | 4 | 26.6 Ų | 26.6 | 2% | 0.018 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.1 | -28.8 | 176.5 | -64.6 | -16.7 | 0 | 0 | 0 | 113.2 | Y58 T62 V63 Y66 H77 I81 A82 D83 Y118 | Y58-F79 HydrophobicContact CD1-CE1 4.18Å; Y58-F79 HydrophobicContact CD1-CE2 4.4Å; Y58-F79 AromaticContact CD1-CZ 3.77Å; Y58-F79 HydrophobicContact CD1-CZ 3.77Å; Y58-F79 HydrophobicContact CG-CZ 4.48Å; T62-F79 HydrophobicContact CG2-CD2 4.25Å; T62-F79 HydrophobicContact CG2-CE2 4.39Å; V63-F79 HydrophobicContact CG2-CD2 4.34Å; V63-F79 HydrophobicContact CG2-CE2 3.82Å; V63-F79 HydrophobicContact CG2-CZ 4.17Å; Y66-F79 HydrophobicContact CD1-CB 4.46Å; Y66-F79 HydrophobicContact CG-CB 4.21Å; H77-F79 VanDerWaalsContact C-N 3.26Å; H77-F79 AromaticContact CE1-CD2 3.36Å; H77-F79 WeakPolarHBondContact CE1-CD2 3.44Å; H77-F79 AromaticContact CE1-CE2 3.64Å; H77-F79 AromaticContact CE1-CG 3.56Å; H77-F79 WeakPolarHBondContact ND1-CB 3.29Å; H77-F79 AromaticContact ND1-CD1 3.98Å; H77-F79 AromaticContact ND1-CD2 3.42Å; H77-F79 WeakPolarHBondContact ND1-CD2 3.2Å; H77-F79 AromaticContact ND1-CG 3.3Å; H77-F79 VanDerWaalsContact ND1-CG 3.3Å; H77-F79 WeakPolarHBondContact ND1-CG 3.21Å; H77-F79 PolarHBondContact ND1-N 2.66Å; H77-F79 VanDerWaalsContact ND1-N 3.18Å; H77-F79 PolarHBondContact O-N 2.75Å; F79-I81 VanDerWaalsContact C-N 3.34Å; F79-A82 PolarHBondContact O-N 3.27Å; F79-D83 VanDerWaalsContact O-CB 3.29Å; F79-D83 WeakPolarHBondContact O-CB 3.12Å; F79-D83 PolarHBondContact O-N 2.8Å; F79-Y118 HydrophobicContact CB-CD2 3.56Å; F79-Y118 HydrophobicContact CB-CE2 3.65Å; F79-Y118 HydrophobicContact CB-CG 4.19Å; F79-Y118 AromaticContact CD1-CD2 3.52Å; F79-Y118 HydrophobicContact CD1-CD2 3.52Å; F79-Y118 HydrophobicContact CD1-CE2 4.47Å; F79-Y118 AromaticContact CD1-CG 3.77Å; F79-Y118 HydrophobicContact CD1-CG 3.77Å; F79-Y118 AromaticContact CD2-CD2 3.88Å; F79-Y118 HydrophobicContact CD2-CD2 3.88Å; F79-Y118 HydrophobicContact CD2-CE2 4.3Å; F79-Y118 HydrophobicContact CE1-CD2 4.13Å; F79-Y118 HydrophobicContact CE1-CG 4.38Å; F79-Y118 HydrophobicContact CE2-CD2 4.45Å; F79-Y118 AromaticContact CG-CD2 3.37Å; F79-Y118 HydrophobicContact CG-CD2 3.37Å; F79-Y118 AromaticContact CG-CE2 3.92Å; F79-Y118 HydrophobicContact CG-CE2 3.92Å; F79-Y118 HydrophobicContact CG-CG 4.06Å |
| 80 | A | 87.9 | Confident | 81.7 | Confident | 6 Ų | 6 | 25.3 Ų | 25.3 | 5% | 0.05 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.6 | -36.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y41 Y66 L71 H77 L78 A84 | Y41-A80 WeakPolarHBondContact OH-CB 3.16Å; Y66-A80 HydrophobicContact CD1-CB 3.92Å; Y66-A80 HydrophobicContact CE1-CB 4.09Å; L71-A80 HydrophobicContact CD1-CB 3.84Å; H77-A80 WeakPolarHBondContact O-CB 3.49Å; H77-A80 PolarHBondContact O-N 2.9Å; H77-A80 VanDerWaalsContact O-N 3.1Å; L78-A80 PolarHBondContact O-N 3.3Å; A80-A84 VanDerWaalsContact O-CB 3.3Å; A80-A84 WeakPolarHBondContact O-CB 3.34Å; A80-A84 PolarHBondContact O-N 3.47Å |
| 81 | I | 89.3 | Confident | 82.1 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -69.7 | -43.6 | 174.1 | -66.5 | -66.9 | 0 | 0 | 0 | 110.9 | E44 V46 L71 L78 F79 D83 A84 A85 I98 Y590 | E44-I81 WeakPolarHBondContact O-CD1 3.33Å; V46-I81 HydrophobicContact CB-CG1 4.16Å; V46-I81 HydrophobicContact CG2-CD1 3.95Å; V46-I81 HydrophobicContact CG2-CG1 3.31Å; L71-I81 HydrophobicContact CD1-CD1 3.73Å; L71-I81 HydrophobicContact CD1-CG1 4.34Å; L78-I81 PolarHBondContact O-N 3.24Å; L78-I81 VanDerWaalsContact O-N 3.14Å; F79-I81 VanDerWaalsContact C-N 3.34Å; I81-D83 VanDerWaalsContact C-N 3.32Å; I81-D83 PolarHBondContact O-N 2.92Å; I81-A84 PolarHBondContact O-N 3Å; I81-A85 WeakPolarHBondContact O-CB 3.44Å; I81-A85 PolarHBondContact O-N 3.04Å; I81-I98 HydrophobicContact CG2-CG2 4.42Å; I81-Y590 HydrophobicContact CD1-CD1 4.44Å; I81-Y590 HydrophobicContact CG2-CD1 4.32Å; I81-Y590 HydrophobicContact CG2-CG 4.23Å |
| 82 | A | 89.4 | Confident | 82.4 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.2 | -39.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | L78 F79 Y86 I115 Y118 | L78-A82 PolarHBondContact O-N 3.07Å; L78-A82 VanDerWaalsContact O-N 3.13Å; F79-A82 PolarHBondContact O-N 3.27Å; A82-Y86 WeakPolarHBondContact O-CB 3.35Å; A82-Y86 PolarHBondContact O-N 3.01Å; A82-I115 HydrophobicContact CB-CG2 4.23Å; A82-Y118 HydrophobicContact CB-CD1 3.41Å; A82-Y118 VanDerWaalsContact CB-CD1 3.41Å; A82-Y118 HydrophobicContact CB-CE1 4.04Å; A82-Y118 HydrophobicContact CB-CG 4.05Å |
| 83 | D | 87.4 | Confident | 82.8 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.2 | -38.4 | 174.8 | -161.3 | 59.7 | 0 | 0 | 0 | 112.5 | G68 R69 F79 I81 K87 Y118 | G68-D83 PolarHBondContact N-OD1 2.97Å; G68-D83 PolarHBondContact N-OD2 2.89Å; R69-D83 PolarHBondContact N-OD2 3.41Å; F79-D83 VanDerWaalsContact O-CB 3.29Å; F79-D83 WeakPolarHBondContact O-CB 3.12Å; F79-D83 PolarHBondContact O-N 2.8Å; I81-D83 VanDerWaalsContact C-N 3.32Å; I81-D83 PolarHBondContact O-N 2.92Å; D83-K87 VanDerWaalsContact CG-CE 3.47Å; D83-K87 WeakPolarHBondContact O-CB 3.24Å; D83-K87 WeakPolarHBondContact O-CG 3.48Å; D83-K87 PolarHBondContact O-N 3.44Å; D83-K87 WeakPolarHBondContact OD2-CE 3.29Å; D83-K87 IonicContact OD2-NZ 3.53Å; D83-K87 PolarHBondContact OD2-NZ 3.07Å; D83-Y118 HydrophobicContact CB-CE1 3.76Å; D83-Y118 VanDerWaalsContact CB-OH 3.28Å; D83-Y118 WeakPolarHBondContact CB-OH 3.5Å; D83-Y118 PolarHBondContact OD1-OH 2.8Å |
| 84 | A | 84.1 | Confident | 83.3 | Confident | 19 Ų | 19 | 38.9 Ų | 38.9 | 16% | 0.157 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64 | -47.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L71 A80 I81 K87 A88 Y590 | L71-A84 HydrophobicContact CD1-CB 4.48Å; A80-A84 VanDerWaalsContact O-CB 3.3Å; A80-A84 WeakPolarHBondContact O-CB 3.34Å; A80-A84 PolarHBondContact O-N 3.47Å; I81-A84 PolarHBondContact O-N 3Å; A84-K87 PolarHBondContact O-N 3.09Å; A84-A88 WeakPolarHBondContact O-CB 3.21Å; A84-A88 PolarHBondContact O-N 3.41Å; A84-Y590 HydrophobicContact CB-CE1 3.93Å |
| 85 | A | 86.9 | Confident | 84 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.5 | -48.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | I81 K87 A88 M89 T96 I98 Y590 | I81-A85 WeakPolarHBondContact O-CB 3.44Å; I81-A85 PolarHBondContact O-N 3.04Å; A85-K87 VanDerWaalsContact C-N 3.32Å; A85-K87 PolarHBondContact O-N 2.75Å; A85-A88 PolarHBondContact O-N 3.29Å; A85-M89 WeakPolarHBondContact O-CB 3.37Å; A85-M89 PolarHBondContact O-N 3.15Å; A85-T96 WeakPolarHBondContact O-CG2 3.28Å; A85-I98 HydrophobicContact CB-CD1 3.97Å; A85-I98 HydrophobicContact CB-CG1 4.11Å; A85-Y590 VanDerWaalsContact CA-CE2 3.48Å; A85-Y590 HydrophobicContact CB-CD2 3.69Å; A85-Y590 HydrophobicContact CB-CE2 3.74Å; A85-Y590 HydrophobicContact CB-CG 4.38Å |
| 86 | Y | 85.4 | Confident | 84.4 | Confident | 19 Ų | 19 | 36.8 Ų | 36.8 | 8% | 0.075 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.2 | -38.7 | 177.6 | -177 | -99.6 | 0 | 0 | 0 | 112.8 | A82 M89 K90 I122 F170 G174 I381 | A82-Y86 WeakPolarHBondContact O-CB 3.35Å; A82-Y86 PolarHBondContact O-N 3.01Å; Y86-M89 HydrophobicContact CD2-CE 3.51Å; Y86-M89 HydrophobicContact CE2-CE 3.55Å; Y86-M89 HydrophobicContact CG-CE 4.39Å; Y86-K90 HydrophobicContact CE1-CD 3.97Å; Y86-K90 WeakPolarHBondContact O-CB 3.45Å; Y86-K90 PolarHBondContact O-N 3.46Å; Y86-I122 HydrophobicContact CD1-CD1 3.57Å; Y86-I122 HydrophobicContact CD2-CD1 3.66Å; Y86-I122 HydrophobicContact CD2-CG1 4.49Å; Y86-I122 HydrophobicContact CE1-CD1 4.07Å; Y86-I122 HydrophobicContact CE2-CD1 4.15Å; Y86-I122 HydrophobicContact CG-CD1 3.35Å; Y86-I122 HydrophobicContact CG-CG1 4.48Å; Y86-F170 HydrophobicContact CE2-CD1 4.39Å; Y86-F170 HydrophobicContact CE2-CE1 4.17Å; Y86-G174 PolarHBondContact OH-O 2.64Å; Y86-I381 HydrophobicContact CD2-CD1 4.14Å |
| 87 | K | 82.1 | Confident | 84.5 | Confident | 23 Ų | 23 | 36.3 Ų | 36.3 | 10% | 0.1 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -70.4 | -40.8 | 175.6 | -81.8 | -179.7 | -133.5 | 163.2 | 0 | 113.6 | G68 R69 D83 A84 A85 M89 K90 R91 | G68-K87 PolarHBondContact O-NZ 3.44Å; R69-K87 VanDerWaalsContact N-NZ 3.15Å; R69-K87 PolarHBondContact O-NZ 3.38Å; D83-K87 VanDerWaalsContact CG-CE 3.47Å; D83-K87 WeakPolarHBondContact O-CB 3.24Å; D83-K87 WeakPolarHBondContact O-CG 3.48Å; D83-K87 PolarHBondContact O-N 3.44Å; D83-K87 WeakPolarHBondContact OD2-CE 3.29Å; D83-K87 IonicContact OD2-NZ 3.53Å; D83-K87 PolarHBondContact OD2-NZ 3.07Å; A84-K87 PolarHBondContact O-N 3.09Å; A85-K87 VanDerWaalsContact C-N 3.32Å; A85-K87 PolarHBondContact O-N 2.75Å; K87-M89 VanDerWaalsContact C-N 3.25Å; K87-M89 PolarHBondContact O-N 2.85Å; K87-K90 PolarHBondContact O-N 3.33Å; K87-R91 VanDerWaalsContact O-CB 3.26Å; K87-R91 WeakPolarHBondContact O-CB 3.15Å; K87-R91 PolarHBondContact O-N 2.95Å |
| 88 | A | 80.1 | Confident | 84.6 | Confident | 6 Ų | 6 | 36 Ų | 36 | 5% | 0.05 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.8 | -44.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | A84 A85 R92 T96 Y590 | A84-A88 WeakPolarHBondContact O-CB 3.21Å; A84-A88 PolarHBondContact O-N 3.41Å; A85-A88 PolarHBondContact O-N 3.29Å; A88-R92 WeakPolarHBondContact O-CA 3.45Å; A88-R92 WeakPolarHBondContact O-CB 3.44Å; A88-R92 PolarHBondContact O-N 3.06Å; A88-T96 HydrophobicContact CB-CG2 3.86Å; A88-Y590 HydrophobicContact CB-CE2 4.48Å; A88-Y590 VanDerWaalsContact CB-OH 3.31Å; A88-Y590 WeakPolarHBondContact CB-OH 3.25Å |
| 89 | M | 83.4 | Confident | 84.5 | Confident | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.015 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56.7 | -58.1 | 170.9 | 177.1 | -87.4 | -77.1 | 0 | 0 | 112 | A85 Y86 K87 R91 N93 K94 T96 F170 T379 I381 | A85-M89 WeakPolarHBondContact O-CB 3.37Å; A85-M89 PolarHBondContact O-N 3.15Å; Y86-M89 HydrophobicContact CD2-CE 3.51Å; Y86-M89 HydrophobicContact CE2-CE 3.55Å; Y86-M89 HydrophobicContact CG-CE 4.39Å; K87-M89 VanDerWaalsContact C-N 3.25Å; K87-M89 PolarHBondContact O-N 2.85Å; M89-R91 PolarHBondContact O-N 3.22Å; M89-N93 VanDerWaalsContact O-CA 3.26Å; M89-N93 WeakPolarHBondContact O-CA 3.35Å; M89-N93 PolarHBondContact O-N 2.93Å; M89-K94 VanDerWaalsContact CA-O 3.32Å; M89-K94 WeakPolarHBondContact CA-O 3.42Å; M89-T96 HydrophobicContact CB-CG2 4.25Å; M89-F170 HydrophobicContact CE-CB 3.88Å; M89-F170 HydrophobicContact CE-CD1 3.76Å; M89-F170 HydrophobicContact CE-CD2 3.78Å; M89-F170 HydrophobicContact CE-CE1 4.24Å; M89-F170 HydrophobicContact CE-CE2 4.28Å; M89-F170 HydrophobicContact CE-CG 3.51Å; M89-F170 HydrophobicContact CE-CZ 4.49Å; M89-F170 HydrophobicContact SD-CB 4.21Å; M89-F170 HydrophobicContact SD-CG 4.45Å; M89-T379 HydrophobicContact CG-CG2 4.25Å; M89-T379 WeakPolarHBondContact CG-OG1 3.02Å; M89-T379 PolarHBondContact SD-OG1 3.43Å; M89-I381 HydrophobicContact CB-CG1 4.39Å; M89-I381 HydrophobicContact CE-CD1 3.82Å; M89-I381 HydrophobicContact CE-CG1 4.24Å; M89-I381 HydrophobicContact CG-CG1 4.37Å |
| 90 | K | 77.9 | Confident | 84.4 | Confident | 95 Ų | 95 | 36.2 Ų | 36.2 | 41% | 0.413 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -68.5 | -35.2 | -172.9 | -175.4 | 168.1 | -174.8 | 155.9 | 0 | 115.1 | Y86 K87 K173 | Y86-K90 HydrophobicContact CE1-CD 3.97Å; Y86-K90 WeakPolarHBondContact O-CB 3.45Å; Y86-K90 PolarHBondContact O-N 3.46Å; K87-K90 PolarHBondContact O-N 3.33Å; K90-K173 PolarHBondContact NZ-O 2.93Å |
| 91 | R | 76.3 | Confident | 84.3 | Confident | 166 Ų | 166 | 36 Ų | 36 | 63% | 0.626 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -93.5 | -32.8 | -174.9 | -66.3 | -179 | 177.7 | 167 | -1.5 | 112.9 | E70 K87 M89 | E70-R91 IonicContact OE1-NH1 3.76Å; K87-R91 VanDerWaalsContact O-CB 3.26Å; K87-R91 WeakPolarHBondContact O-CB 3.15Å; K87-R91 PolarHBondContact O-N 2.95Å; M89-R91 PolarHBondContact O-N 3.22Å |
| 92 | R | 72.5 | Confident | 84 | Confident | 151 Ų | 151 | 36 Ų | 36 | 57% | 0.57 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -105.6 | -6.1 | -174.6 | -52.9 | 177.3 | 176 | 169 | -1.5 | 112.8 | A88 K94 E588 | A88-R92 WeakPolarHBondContact O-CA 3.45Å; A88-R92 WeakPolarHBondContact O-CB 3.44Å; A88-R92 PolarHBondContact O-N 3.06Å; R92-K94 HydrophobicContact CB-CB 4.42Å; R92-K94 HydrophobicContact CB-CD 4.29Å; R92-K94 HydrophobicContact CB-CG 4.02Å; R92-K94 PolarHBondContact O-N 2.89Å; R92-E588 IonicContact NH1-OE1 2.85Å; R92-E588 PolarHBondContact NH1-OE1 2.97Å; R92-E588 IonicContact NH1-OE2 3.18Å |
| 93 | N | 76.2 | Confident | 83.4 | Confident | 93 Ų | 93 | 37.2 Ų | 37.2 | 50% | 0.497 | 17% | 0.166 | S | C | . | . | trans | 49.9 | 40.9 | -172.7 | -67.1 | -21.5 | 0 | 0 | 0 | 112 | M89 | M89-N93 VanDerWaalsContact O-CA 3.26Å; M89-N93 WeakPolarHBondContact O-CA 3.35Å; M89-N93 PolarHBondContact O-N 2.93Å | ||
| 94 | K | 79 | Confident | 82.6 | Confident | 112 Ų | 112 | 38.3 Ų | 38.3 | 49% | 0.487 | 17% | 0.174 | S | C | . | . | trans | -108.9 | 137.2 | 177.7 | -71.8 | -171.1 | 175.2 | -168.5 | 0 | 109.9 | M89 R92 | M89-K94 VanDerWaalsContact CA-O 3.32Å; M89-K94 WeakPolarHBondContact CA-O 3.42Å; R92-K94 HydrophobicContact CB-CB 4.42Å; R92-K94 HydrophobicContact CB-CD 4.29Å; R92-K94 HydrophobicContact CB-CG 4.02Å; R92-K94 PolarHBondContact O-N 2.89Å | ||
| 95 | D | 87.2 | Confident | 82.1 | Confident | 54 Ų | 54 | 38 Ų | 38 | 29% | 0.289 | 17% | 0.172 | S | C | . | . | trans | -66.1 | 138.8 | 170.3 | -63.1 | -29.2 | 0 | 0 | 0 | 109.4 | T379 V380 K587 E588 | D95-T379 WeakPolarHBondContact OD1-CA 3.28Å; D95-V380 WeakPolarHBondContact CA-O 3.42Å; D95-V380 PolarHBondContact OD1-N 2.87Å; D95-K587 HydrophobicContact CB-CB 4.29Å; D95-K587 HydrophobicContact CB-CD 3.96Å; D95-K587 HydrophobicContact CB-CG 3.71Å; D95-K587 CarbonylContact O-C 3.55Å; D95-K587 WeakPolarHBondContact O-CA 3.44Å; D95-E588 PolarHBondContact O-N 3.43Å | ||
| 96 | T | 88.9 | Confident | 81.9 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 153.9 | -178.3 | 62.5 | 0 | 0 | 0 | 0 | 110.1 | A85 A88 M89 V380 I381 G382 E588 Y590 | A85-T96 WeakPolarHBondContact O-CG2 3.28Å; A88-T96 HydrophobicContact CB-CG2 3.86Å; M89-T96 HydrophobicContact CB-CG2 4.25Å; T96-V380 PolarHBondContact N-O 2.87Å; T96-I381 CarbonylContact O-C 3.54Å; T96-I381 WeakPolarHBondContact O-CA 3.39Å; T96-I381 WeakPolarHBondContact OG1-CG1 3.4Å; T96-G382 PolarHBondContact O-N 2.98Å; T96-E588 CarbonylContact C-O 3.53Å; T96-E588 VanDerWaalsContact CA-O 3.28Å; T96-E588 WeakPolarHBondContact CA-O 3.5Å; T96-E588 HydrophobicContact CG2-CB 4.35Å; T96-Y590 HydrophobicContact CG2-CE2 4.1Å |
| 97 | C | 90.1 | Very high | 81.8 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 135 | 175.1 | -178.7 | 0 | 0 | 0 | 0 | 110.3 | G382 L584 K587 E588 P589 Y590 | C97-G382 CarbonylContact C-O 3.36Å; C97-G382 VanDerWaalsContact CA-O 3.27Å; C97-G382 WeakPolarHBondContact CA-O 3.24Å; C97-L584 HydrophobicContact CB-CD2 4.22Å; C97-L584 WeakPolarHBondContact SG-CD2 3.48Å; C97-K587 HydrophobicContact CB-CB 4.07Å; C97-K587 HydrophobicContact CB-CD 4.21Å; C97-E588 PolarHBondContact N-O 2.98Å; C97-P589 CarbonylContact O-C 3.56Å; C97-P589 WeakPolarHBondContact O-CA 3.36Å; C97-Y590 PolarHBondContact O-N 3.47Å |
| 98 | I | 91.2 | Very high | 81.9 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 113.8 | 173.1 | -55.5 | 168.9 | 0 | 0 | 0 | 108.3 | I81 A85 I100 I115 I381 G382 V383 L384 Y590 V592 | I81-I98 HydrophobicContact CG2-CG2 4.42Å; A85-I98 HydrophobicContact CB-CD1 3.97Å; A85-I98 HydrophobicContact CB-CG1 4.11Å; I98-I100 HydrophobicContact CG2-CG1 4.34Å; I98-I115 HydrophobicContact CD1-CG2 3.66Å; I98-I115 HydrophobicContact CG2-CD1 3.89Å; I98-I381 HydrophobicContact CD1-CG2 4.49Å; I98-G382 PolarHBondContact N-O 3.16Å; I98-V383 WeakPolarHBondContact O-CA 2.87Å; I98-L384 PolarHBondContact O-N 3.33Å; I98-Y590 CarbonylContact C-O 3.54Å; I98-Y590 WeakPolarHBondContact CA-O 3.43Å; I98-V592 HydrophobicContact CG2-CG2 4.05Å |
| 99 | V | 88.7 | Confident | 81.8 | Confident | 9 Ų | 9 | 39.2 Ų | 39.2 | 6% | 0.055 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 116.4 | 179.5 | -178.4 | 0 | 0 | 0 | 0 | 109.8 | L384 L584 Y590 Y591 V592 | V99-L384 HydrophobicContact CG1-CD2 4.13Å; V99-L384 HydrophobicContact CG2-CB 4.35Å; V99-L384 HydrophobicContact CG2-CD2 4.25Å; V99-L584 HydrophobicContact CG2-CD2 4.43Å; V99-Y590 PolarHBondContact N-O 3.04Å; V99-Y591 HydrophobicContact CB-CD1 3.76Å; V99-Y591 HydrophobicContact CB-CE1 3.88Å; V99-Y591 HydrophobicContact CG1-CD1 4.19Å; V99-Y591 HydrophobicContact CG1-CE1 4.25Å; V99-Y591 HydrophobicContact CG2-CD1 4.39Å; V99-Y591 HydrophobicContact CG2-CE1 4.04Å; V99-Y591 WeakPolarHBondContact O-CA 3.41Å; V99-V592 PolarHBondContact O-N 3Å |
| 100 | I | 89.4 | Confident | 81.9 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 124.6 | 178.6 | -49.3 | 175.4 | 0 | 0 | 0 | 108.3 | I98 K108 A111 I115 V383 L384 I386 V592 | I98-I100 HydrophobicContact CG2-CG1 4.34Å; I100-K108 HydrophobicContact CG2-CB 3.87Å; I100-K108 HydrophobicContact CG2-CG 4.04Å; I100-A111 HydrophobicContact CD1-CB 4.46Å; I100-A111 HydrophobicContact CG2-CB 4.41Å; I100-I115 HydrophobicContact CD1-CD1 3.81Å; I100-I115 HydrophobicContact CG1-CD1 4.37Å; I100-V383 HydrophobicContact CD1-CG1 4.12Å; I100-L384 PolarHBondContact N-O 3.44Å; I100-I386 PolarHBondContact O-N 3.37Å; I100-V592 WeakPolarHBondContact CA-O 3.26Å; I100-V592 HydrophobicContact CG1-CB 4.23Å; I100-V592 HydrophobicContact CG2-CB 4.37Å; I100-V592 HydrophobicContact CG2-CG1 4.44Å |
| 101 | S | 85.6 | Confident | 82.3 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 158.1 | -177.6 | 57.2 | 0 | 0 | 0 | 0 | 111.2 | V592 R593 C594 | S101-V592 PolarHBondContact N-O 2.8Å; S101-R593 WeakPolarHBondContact OG-CD 3.24Å; S101-R593 PolarHBondContact OG-NH1 3.14Å; S101-C594 PolarHBondContact O-N 3.26Å |
| 102 | G | 82.1 | Confident | 82.8 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 151.9 | 164.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K108 G388 C594 | G102-K108 PolarHBondContact O-NZ 3.02Å; G102-G388 WeakPolarHBondContact O-CA 3.36Å; G102-G388 PolarHBondContact O-N 2.84Å; G102-C594 WeakPolarHBondContact CA-O 3.24Å |
| 103 | E | 76.4 | Confident | 83.2 | Confident | 25 Ų | 25 | 27.6 Ų | 27.6 | 12% | 0.117 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -57.3 | 160.7 | 175.7 | -103.2 | -175.8 | -155.8 | 0 | 0 | 112.6 | G105 A106 K108 R610 Y617 | E103-G105 PolarHBondContact O-N 2.95Å; E103-A106 VanDerWaalsContact O-CB 3.27Å; E103-A106 WeakPolarHBondContact O-CB 3.32Å; E103-A106 PolarHBondContact O-N 3.24Å; E103-K108 PolarHBondContact O-NZ 2.83Å; E103-R610 IonicContact OE2-CZ 3.13Å; E103-R610 IonicContact OE2-NE 3.57Å; E103-R610 IonicContact OE2-NH2 2.74Å; E103-R610 PolarHBondContact OE2-NH2 3.48Å; E103-Y617 WeakPolarHBondContact CB-OH 3.31Å; E103-Y617 HydrophobicContact CG-CE1 3.66Å; E103-Y617 WeakPolarHBondContact CG-OH 3.46Å; E103-Y617 PolarHBondContact N-OH 3.38Å; E103-Y617 WeakPolarHBondContact OE1-CE1 3.1Å |
| 104 | S | 71.4 | Confident | 83.8 | Confident | 26 Ų | 26 | 25.3 Ų | 25.3 | 18% | 0.182 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 131.8 | 170.1 | -170.6 | 0 | 0 | 0 | 0 | 110.4 | N156 S159 | S104-N156 WeakPolarHBondContact OG-CB 3.09Å; S104-N156 PolarHBondContact OG-ND2 3.18Å; S104-N156 VanDerWaalsContact OG-ND2 3.15Å; S104-S159 WeakPolarHBondContact OG-CB 3.29Å; S104-S159 PolarHBondContact OG-OG 3.34Å |
| 105 | G | 73.1 | Confident | 84.2 | Confident | 12 Ų | 12 | 20 Ų | 20 | 12% | 0.124 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87 | -0.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | N50 E103 G107 N156 | N50-G105 PolarHBondContact ND2-O 3.02Å; E103-G105 PolarHBondContact O-N 2.95Å; G105-G107 PolarHBondContact O-N 3.41Å; G105-N156 PolarHBondContact N-ND2 3.45Å |
| 106 | A | 81.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -74.4 | -4.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | E103 C594 K596 | E103-A106 VanDerWaalsContact O-CB 3.27Å; E103-A106 WeakPolarHBondContact O-CB 3.32Å; E103-A106 PolarHBondContact O-N 3.24Å; A106-C594 HydrophobicContact CB-CB 3.67Å; A106-K596 HydrophobicContact CB-CB 4.28Å |
| 107 | G | 83.6 | Confident | 83.5 | Confident | 21 Ų | 21 | 21.3 Ų | 21.3 | 22% | 0.216 | 11% | 0.112 | C | C | . | . | S | Bend | trans | 92.3 | 21.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | G105 T109 E110 A111 | G105-G107 PolarHBondContact O-N 3.41Å; G107-T109 PolarHBondContact O-N 3.06Å; G107-E110 PolarHBondContact O-N 3.34Å; G107-A111 PolarHBondContact O-N 3.3Å |
| 108 | K | 84.5 | Confident | 83.3 | Confident | 19 Ų | 19 | 21.3 Ų | 21.3 | 8% | 0.083 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -56 | -48.2 | 178.9 | -62.4 | -172.2 | -67.5 | -75 | 0 | 113.5 | I100 G102 E103 E110 A111 S112 D385 I386 C594 | I100-K108 HydrophobicContact CG2-CB 3.87Å; I100-K108 HydrophobicContact CG2-CG 4.04Å; G102-K108 PolarHBondContact O-NZ 3.02Å; E103-K108 PolarHBondContact O-NZ 2.83Å; K108-E110 VanDerWaalsContact C-N 3.33Å; K108-E110 PolarHBondContact O-N 3.36Å; K108-A111 WeakPolarHBondContact O-CB 3.44Å; K108-A111 PolarHBondContact O-N 3.28Å; K108-A111 VanDerWaalsContact O-N 3.16Å; K108-S112 PolarHBondContact O-N 3.39Å; K108-D385 WeakPolarHBondContact CB-OD1 3.44Å; K108-I386 VanDerWaalsContact CD-O 3.3Å; K108-I386 WeakPolarHBondContact CD-O 3.37Å; K108-I386 WeakPolarHBondContact CE-O 3.47Å; K108-C594 HydrophobicContact CG-CB 4.12Å |
| 109 | T | 79.4 | Confident | 82.7 | Confident | 34 Ų | 34 | 21.6 Ų | 21.6 | 21% | 0.209 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64 | -39.3 | -178.6 | -49.7 | 0 | 0 | 0 | 0 | 111.7 | G107 S112 K113 E146 | G107-T109 PolarHBondContact O-N 3.06Å; T109-S112 WeakPolarHBondContact O-CB 3.23Å; T109-S112 PolarHBondContact O-N 3.21Å; T109-K113 WeakPolarHBondContact O-CB 3.32Å; T109-K113 PolarHBondContact O-N 3.48Å; T109-E146 WeakPolarHBondContact CG2-OE1 3.49Å |
| 110 | E | 83.6 | Confident | 82.1 | Confident | 82 Ų | 82 | 22.1 Ų | 22.1 | 38% | 0.383 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -65 | -42.6 | 173.1 | -71.5 | -61.9 | 133.1 | 0 | 0 | 111.5 | G107 K108 S112 K113 Y114 | G107-E110 PolarHBondContact O-N 3.34Å; K108-E110 VanDerWaalsContact C-N 3.33Å; K108-E110 PolarHBondContact O-N 3.36Å; E110-S112 PolarHBondContact O-N 3.04Å; E110-K113 WeakPolarHBondContact O-CB 3.39Å; E110-K113 PolarHBondContact O-N 3.32Å; E110-Y114 HydrophobicContact CB-CD2 4.49Å; E110-Y114 HydrophobicContact CB-CE2 4.12Å; E110-Y114 WeakPolarHBondContact O-CD2 3.15Å; E110-Y114 PolarHBondContact O-N 3.22Å |
| 111 | A | 88.1 | Confident | 81.5 | Confident | 3 Ų | 3 | 24.7 Ų | 24.7 | 3% | 0.025 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.3 | -45.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L78 I100 G107 K108 K113 Y114 I115 | L78-A111 HydrophobicContact CD1-CB 4.38Å; L78-A111 HydrophobicContact CD2-CB 3.96Å; L78-A111 WeakPolarHBondContact CD2-O 3.44Å; I100-A111 HydrophobicContact CD1-CB 4.46Å; I100-A111 HydrophobicContact CG2-CB 4.41Å; G107-A111 PolarHBondContact O-N 3.3Å; K108-A111 WeakPolarHBondContact O-CB 3.44Å; K108-A111 PolarHBondContact O-N 3.28Å; K108-A111 VanDerWaalsContact O-N 3.16Å; A111-K113 VanDerWaalsContact C-N 3.29Å; A111-K113 PolarHBondContact O-N 3.49Å; A111-Y114 PolarHBondContact O-N 3.1Å; A111-I115 WeakPolarHBondContact O-CG1 3.43Å; A111-I115 PolarHBondContact O-N 3.25Å |
| 112 | S | 84.9 | Confident | 80.9 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -55.9 | -46 | 174.5 | -173.8 | 0 | 0 | 0 | 0 | 111.1 | K108 T109 E110 I115 M116 | K108-S112 PolarHBondContact O-N 3.39Å; T109-S112 WeakPolarHBondContact O-CB 3.23Å; T109-S112 PolarHBondContact O-N 3.21Å; E110-S112 PolarHBondContact O-N 3.04Å; S112-I115 PolarHBondContact O-N 3.29Å; S112-M116 WeakPolarHBondContact O-CE 3.44Å; S112-M116 WeakPolarHBondContact O-CG 3.47Å; S112-M116 PolarHBondContact O-N 3Å |
| 113 | K | 82.6 | Confident | 80.3 | Confident | 87 Ų | 87 | 25.5 Ų | 25.5 | 38% | 0.378 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -60.8 | -46.3 | 177.8 | -173.1 | -178.4 | -178.8 | -180 | 0 | 112.6 | T109 E110 A111 M116 Q117 | T109-K113 WeakPolarHBondContact O-CB 3.32Å; T109-K113 PolarHBondContact O-N 3.48Å; E110-K113 WeakPolarHBondContact O-CB 3.39Å; E110-K113 PolarHBondContact O-N 3.32Å; A111-K113 VanDerWaalsContact C-N 3.29Å; A111-K113 PolarHBondContact O-N 3.49Å; K113-M116 PolarHBondContact O-N 2.69Å; K113-Q117 WeakPolarHBondContact O-CB 3.49Å; K113-Q117 VanDerWaalsContact O-CG 3.26Å; K113-Q117 WeakPolarHBondContact O-CG 3.16Å; K113-Q117 PolarHBondContact O-N 3.32Å |
| 114 | Y | 86.9 | Confident | 79.4 | Confident | 44 Ų | 44 | 27.9 Ų | 27.9 | 17% | 0.173 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.8 | -36.9 | 177.8 | -69.4 | -55.1 | 0 | 0 | 0 | 112.6 | Y58 E110 A111 Q117 Y118 | Y58-Y114 AromaticContact CD1-CD1 3.55Å; Y58-Y114 HydrophobicContact CD1-CD1 3.55Å; Y58-Y114 HydrophobicContact CD1-CD2 4.05Å; Y58-Y114 AromaticContact CD1-CE1 3.86Å; Y58-Y114 HydrophobicContact CD1-CE1 3.86Å; Y58-Y114 HydrophobicContact CD1-CE2 4.35Å; Y58-Y114 AromaticContact CD1-CG 3.67Å; Y58-Y114 HydrophobicContact CD1-CG 3.67Å; Y58-Y114 HydrophobicContact CD2-CD1 4.07Å; Y58-Y114 HydrophobicContact CD2-CD2 4.47Å; Y58-Y114 AromaticContact CD2-CE1 3.47Å; Y58-Y114 HydrophobicContact CD2-CE1 3.47Å; Y58-Y114 VanDerWaalsContact CD2-CE1 3.47Å; Y58-Y114 AromaticContact CD2-CE2 3.96Å; Y58-Y114 HydrophobicContact CD2-CE2 3.96Å; Y58-Y114 AromaticContact CD2-CZ 3.42Å; Y58-Y114 VanDerWaalsContact CD2-CZ 3.42Å; Y58-Y114 AromaticContact CE1-CD1 3.99Å; Y58-Y114 HydrophobicContact CE1-CD1 3.99Å; Y58-Y114 AromaticContact CE1-CD2 3.58Å; Y58-Y114 HydrophobicContact CE1-CD2 3.58Å; Y58-Y114 HydrophobicContact CE1-CE1 4.28Å; Y58-Y114 AromaticContact CE1-CE2 3.93Å; Y58-Y114 HydrophobicContact CE1-CE2 3.93Å; Y58-Y114 AromaticContact CE1-CG 3.64Å; Y58-Y114 HydrophobicContact CE1-CG 3.64Å; Y58-Y114 HydrophobicContact CE2-CD1 4.45Å; Y58-Y114 HydrophobicContact CE2-CD2 4.04Å; Y58-Y114 AromaticContact CE2-CE1 3.92Å; Y58-Y114 HydrophobicContact CE2-CE1 3.92Å; Y58-Y114 AromaticContact CE2-CE2 3.49Å; Y58-Y114 HydrophobicContact CE2-CE2 3.49Å; Y58-Y114 VanDerWaalsContact CE2-CE2 3.49Å; Y58-Y114 AromaticContact CE2-CZ 3.42Å; Y58-Y114 VanDerWaalsContact CE2-CZ 3.42Å; Y58-Y114 AromaticContact CG-CD1 3.58Å; Y58-Y114 HydrophobicContact CG-CD1 3.58Å; Y58-Y114 HydrophobicContact CG-CD2 4.45Å; Y58-Y114 AromaticContact CG-CE1 3.41Å; Y58-Y114 HydrophobicContact CG-CE1 3.41Å; Y58-Y114 VanDerWaalsContact CG-CE1 3.41Å; Y58-Y114 HydrophobicContact CG-CE2 4.34Å; Y58-Y114 HydrophobicContact CG-CG 4.12Å; Y58-Y114 AromaticContact CG-CZ 3.85Å; Y58-Y114 AromaticContact CZ-CD2 3.55Å; Y58-Y114 AromaticContact CZ-CE2 3.45Å; Y58-Y114 VanDerWaalsContact CZ-CE2 3.45Å; Y58-Y114 AromaticContact CZ-CZ 3.85Å; E110-Y114 HydrophobicContact CB-CD2 4.49Å; E110-Y114 HydrophobicContact CB-CE2 4.12Å; E110-Y114 WeakPolarHBondContact O-CD2 3.15Å; E110-Y114 PolarHBondContact O-N 3.22Å; A111-Y114 PolarHBondContact O-N 3.1Å; Y114-Q117 PolarHBondContact O-N 2.89Å; Y114-Y118 WeakPolarHBondContact O-CB 3.3Å; Y114-Y118 PolarHBondContact O-N 3.41Å |
| 115 | I | 87.6 | Confident | 78.6 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.5 | -48.6 | 173 | -72.4 | 160.3 | 0 | 0 | 0 | 110.3 | L78 A82 I98 I100 A111 S112 Q117 Y118 I119 V383 V592 | L78-I115 HydrophobicContact CD1-CD1 3.82Å; L78-I115 HydrophobicContact CD1-CG1 4.04Å; L78-I115 HydrophobicContact CD2-CD1 4.18Å; L78-I115 HydrophobicContact CD2-CG1 3.75Å; L78-I115 HydrophobicContact CG-CD1 4.02Å; L78-I115 HydrophobicContact CG-CG1 3.65Å; A82-I115 HydrophobicContact CB-CG2 4.23Å; I98-I115 HydrophobicContact CD1-CG2 3.66Å; I98-I115 HydrophobicContact CG2-CD1 3.89Å; I100-I115 HydrophobicContact CD1-CD1 3.81Å; I100-I115 HydrophobicContact CG1-CD1 4.37Å; A111-I115 WeakPolarHBondContact O-CG1 3.43Å; A111-I115 PolarHBondContact O-N 3.25Å; S112-I115 PolarHBondContact O-N 3.29Å; I115-Q117 VanDerWaalsContact C-N 3.34Å; I115-Q117 PolarHBondContact O-N 3.39Å; I115-Y118 PolarHBondContact O-N 3.46Å; I115-I119 HydrophobicContact CG2-CD1 3.79Å; I115-I119 HydrophobicContact CG2-CG1 4.46Å; I115-I119 WeakPolarHBondContact O-CG1 3.4Å; I115-I119 PolarHBondContact O-N 2.88Å; I115-V383 HydrophobicContact CG2-CG2 4.41Å; I115-V592 HydrophobicContact CD1-CG2 4.37Å |
| 116 | M | 80.8 | Confident | 77.7 | Confident | 12 Ų | 12 | 37.6 Ų | 37.6 | 6% | 0.059 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.2 | -42.3 | 177.3 | -74.1 | -175.4 | -75.2 | 0 | 0 | 111.9 | S112 K113 Y118 I119 A120 L139 N142 M166 | S112-M116 WeakPolarHBondContact O-CE 3.44Å; S112-M116 WeakPolarHBondContact O-CG 3.47Å; S112-M116 PolarHBondContact O-N 3Å; K113-M116 PolarHBondContact O-N 2.69Å; M116-Y118 VanDerWaalsContact C-N 3.32Å; M116-Y118 PolarHBondContact O-N 2.88Å; M116-I119 PolarHBondContact O-N 3.29Å; M116-A120 WeakPolarHBondContact O-CB 3.41Å; M116-A120 PolarHBondContact O-N 3.4Å; M116-L139 HydrophobicContact CB-CD2 4.13Å; M116-N142 WeakPolarHBondContact CE-ND2 3.31Å; M116-M166 HydrophobicContact CE-CE 3.79Å; M116-M166 HydrophobicContact CG-CE 4.32Å; M116-M166 HydrophobicContact SD-CE 3.35Å; M116-M166 WeakPolarHBondContact SD-CE 3.48Å; M116-M166 HydrophobicContact SD-SD 4.01Å |
| 117 | Q | 81.5 | Confident | 76.4 | Confident | 71 Ų | 71 | 42.7 Ų | 42.7 | 33% | 0.332 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.9 | -39.1 | 175.8 | -75.8 | 176.5 | -0.2 | 0 | 0 | 112.4 | K113 Y114 I115 A120 A121 L139 | K113-Q117 WeakPolarHBondContact O-CB 3.49Å; K113-Q117 VanDerWaalsContact O-CG 3.26Å; K113-Q117 WeakPolarHBondContact O-CG 3.16Å; K113-Q117 PolarHBondContact O-N 3.32Å; Y114-Q117 PolarHBondContact O-N 2.89Å; I115-Q117 VanDerWaalsContact C-N 3.34Å; I115-Q117 PolarHBondContact O-N 3.39Å; Q117-A120 PolarHBondContact O-N 3.39Å; Q117-A121 WeakPolarHBondContact O-CB 3.48Å; Q117-A121 PolarHBondContact O-N 3.42Å; Q117-A121 VanDerWaalsContact O-N 3.11Å; Q117-L139 HydrophobicContact CG-CD2 4.28Å |
| 118 | Y | 85 | Confident | 75.1 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.1 | -51.1 | 176.7 | -177.4 | -92.2 | 0 | 0 | 0 | 111.6 | V63 K67 F79 A82 D83 Y114 I115 M116 A120 A121 I122 | V63-Y118 HydrophobicContact CB-CD2 4.35Å; V63-Y118 HydrophobicContact CB-CE2 4.35Å; V63-Y118 HydrophobicContact CG1-CD2 3.83Å; V63-Y118 HydrophobicContact CG1-CE2 3.74Å; V63-Y118 HydrophobicContact CG2-CD2 4.16Å; K67-Y118 WeakPolarHBondContact CA-OH 3.27Å; K67-Y118 PolarHBondContact N-OH 3.42Å; F79-Y118 HydrophobicContact CB-CD2 3.56Å; F79-Y118 HydrophobicContact CB-CE2 3.65Å; F79-Y118 HydrophobicContact CB-CG 4.19Å; F79-Y118 AromaticContact CD1-CD2 3.52Å; F79-Y118 HydrophobicContact CD1-CD2 3.52Å; F79-Y118 HydrophobicContact CD1-CE2 4.47Å; F79-Y118 AromaticContact CD1-CG 3.77Å; F79-Y118 HydrophobicContact CD1-CG 3.77Å; F79-Y118 AromaticContact CD2-CD2 3.88Å; F79-Y118 HydrophobicContact CD2-CD2 3.88Å; F79-Y118 HydrophobicContact CD2-CE2 4.3Å; F79-Y118 HydrophobicContact CE1-CD2 4.13Å; F79-Y118 HydrophobicContact CE1-CG 4.38Å; F79-Y118 HydrophobicContact CE2-CD2 4.45Å; F79-Y118 AromaticContact CG-CD2 3.37Å; F79-Y118 HydrophobicContact CG-CD2 3.37Å; F79-Y118 AromaticContact CG-CE2 3.92Å; F79-Y118 HydrophobicContact CG-CE2 3.92Å; F79-Y118 HydrophobicContact CG-CG 4.06Å; A82-Y118 HydrophobicContact CB-CD1 3.41Å; A82-Y118 VanDerWaalsContact CB-CD1 3.41Å; A82-Y118 HydrophobicContact CB-CE1 4.04Å; A82-Y118 HydrophobicContact CB-CG 4.05Å; D83-Y118 HydrophobicContact CB-CE1 3.76Å; D83-Y118 VanDerWaalsContact CB-OH 3.28Å; D83-Y118 WeakPolarHBondContact CB-OH 3.5Å; D83-Y118 PolarHBondContact OD1-OH 2.8Å; Y114-Y118 WeakPolarHBondContact O-CB 3.3Å; Y114-Y118 PolarHBondContact O-N 3.41Å; I115-Y118 PolarHBondContact O-N 3.46Å; M116-Y118 VanDerWaalsContact C-N 3.32Å; M116-Y118 PolarHBondContact O-N 2.88Å; Y118-A120 PolarHBondContact O-N 3.29Å; Y118-A121 PolarHBondContact O-N 2.82Å; Y118-I122 HydrophobicContact CD1-CD1 4.15Å; Y118-I122 HydrophobicContact CD1-CG2 4.16Å; Y118-I122 HydrophobicContact CE1-CD1 3.86Å; Y118-I122 HydrophobicContact CE1-CG2 3.64Å; Y118-I122 HydrophobicContact CE2-CG2 4.11Å; Y118-I122 WeakPolarHBondContact O-CG1 3.27Å; Y118-I122 PolarHBondContact O-N 2.85Å; Y118-I122 VanDerWaalsContact O-N 3.12Å |
| 119 | I | 80.4 | Confident | 74 | Confident | 6 Ų | 6 | 53.4 Ų | 53.4 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.3 | -38.2 | 177 | -68.8 | 172.3 | 0 | 0 | 0 | 110.5 | I115 M116 A121 I122 T123 F170 I381 | I115-I119 HydrophobicContact CG2-CD1 3.79Å; I115-I119 HydrophobicContact CG2-CG1 4.46Å; I115-I119 WeakPolarHBondContact O-CG1 3.4Å; I115-I119 PolarHBondContact O-N 2.88Å; M116-I119 PolarHBondContact O-N 3.29Å; I119-A121 VanDerWaalsContact C-N 3.32Å; I119-A121 PolarHBondContact O-N 3.34Å; I119-I122 VanDerWaalsContact O-CG1 3.22Å; I119-I122 WeakPolarHBondContact O-CG1 3.34Å; I119-T123 WeakPolarHBondContact O-CG2 3.27Å; I119-F170 HydrophobicContact CG2-CE1 4.15Å; I119-F170 HydrophobicContact CG2-CZ 3.58Å; I119-I381 HydrophobicContact CD1-CD1 4.48Å; I119-I381 HydrophobicContact CD1-CG2 4.16Å |
| 120 | A | 75.6 | Confident | 73.1 | Confident | 20 Ų | 20 | 58.4 Ų | 58.4 | 17% | 0.165 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -76.5 | -11.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | M116 Q117 Y118 T123 K135 | M116-A120 WeakPolarHBondContact O-CB 3.41Å; M116-A120 PolarHBondContact O-N 3.4Å; Q117-A120 PolarHBondContact O-N 3.39Å; Y118-A120 PolarHBondContact O-N 3.29Å; A120-T123 PolarHBondContact O-OG1 3.02Å; A120-K135 HydrophobicContact CB-CB 4.45Å; A120-K135 HydrophobicContact CB-CD 3.74Å; A120-K135 HydrophobicContact CB-CG 3.72Å |
| 121 | A | 75.8 | Confident | 72 | Confident | 53 Ų | 53 | 55.2 Ų | 55.2 | 44% | 0.438 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -98.8 | -22.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V63 Q117 Y118 I119 | V63-A121 HydrophobicContact CG1-CB 3.88Å; Q117-A121 WeakPolarHBondContact O-CB 3.48Å; Q117-A121 PolarHBondContact O-N 3.42Å; Q117-A121 VanDerWaalsContact O-N 3.11Å; Y118-A121 PolarHBondContact O-N 2.82Å; I119-A121 VanDerWaalsContact C-N 3.32Å; I119-A121 PolarHBondContact O-N 3.34Å |
| 122 | I | 74.4 | Confident | 70.9 | Confident | 6 Ų | 6 | 59.6 Ų | 59.6 | 3% | 0.031 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -84.6 | -20.1 | -179.9 | 59.4 | 178.9 | 0 | 0 | 0 | 113.8 | V63 K67 Y86 Y118 I119 | V63-I122 HydrophobicContact CG1-CG2 4.37Å; K67-I122 HydrophobicContact CD-CG2 4.48Å; K67-I122 HydrophobicContact CG-CG2 4.36Å; Y86-I122 HydrophobicContact CD1-CD1 3.57Å; Y86-I122 HydrophobicContact CD2-CD1 3.66Å; Y86-I122 HydrophobicContact CD2-CG1 4.49Å; Y86-I122 HydrophobicContact CE1-CD1 4.07Å; Y86-I122 HydrophobicContact CE2-CD1 4.15Å; Y86-I122 HydrophobicContact CG-CD1 3.35Å; Y86-I122 HydrophobicContact CG-CG1 4.48Å; Y118-I122 HydrophobicContact CD1-CD1 4.15Å; Y118-I122 HydrophobicContact CD1-CG2 4.16Å; Y118-I122 HydrophobicContact CE1-CD1 3.86Å; Y118-I122 HydrophobicContact CE1-CG2 3.64Å; Y118-I122 HydrophobicContact CE2-CG2 4.11Å; Y118-I122 WeakPolarHBondContact O-CG1 3.27Å; Y118-I122 PolarHBondContact O-N 2.85Å; Y118-I122 VanDerWaalsContact O-N 3.12Å; I119-I122 VanDerWaalsContact O-CG1 3.22Å; I119-I122 WeakPolarHBondContact O-CG1 3.34Å |
| 123 | T | 68.8 | Low | 70.2 | Confident | 15 Ų | 15 | 67.1 Ų | 67.1 | 9% | 0.092 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -70.2 | 150.6 | 179.8 | 44.2 | 0 | 0 | 0 | 0 | 112.2 | I119 A120 F170 P176 | I119-T123 WeakPolarHBondContact O-CG2 3.27Å; A120-T123 PolarHBondContact O-OG1 3.02Å; T123-F170 HydrophobicContact CG2-CE1 4.31Å; T123-P176 HydrophobicContact CG2-CG 4.25Å |
| 124 | N | 57.9 | Low | 69.6 | Low | 74 Ų | 74 | 63.7 Ų | 63.7 | 40% | 0.396 | 33% | 0.327 | S | S | . | . | trans | -68.7 | 145.3 | -159.8 | -78.9 | -41 | 0 | 0 | 0 | 114 | N126 D175 | N124-N126 VanDerWaalsContact C-N 3.27Å; N124-N126 PolarHBondContact O-N 2.8Å; N124-D175 PolarHBondContact N-OD1 3.27Å | ||
| 125 | P | 55.2 | Low | 68.6 | Low | 85 Ų | 85 | 64.6 Ų | 64.6 | 55% | 0.552 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -6.5 | -178.4 | -5.4 | 15.8 | 0 | 0 | 0 | 116.4 | R128 | P125-R128 VanDerWaalsContact O-CG 3.29Å; P125-R128 WeakPolarHBondContact O-CG 3.49Å |
| 126 | N | 52.7 | Low | 68 | Low | 157 Ų | 157 | 67.9 Ų | 67.9 | 84% | 0.84 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -15.1 | -168.6 | -77.5 | 7.5 | 0 | 0 | 0 | 114.5 | N124 | N124-N126 VanDerWaalsContact C-N 3.27Å; N124-N126 PolarHBondContact O-N 2.8Å |
| 127 | Q | 54.9 | Low | 67.8 | Low | 108 Ų | 108 | 68.1 Ų | 68.1 | 51% | 0.505 | 35% | 0.351 | S | S | . | . | trans | -122.4 | 57.5 | 177.7 | -73.7 | -176.3 | -16.6 | 0 | 0 | 111.6 | A129 | Q127-A129 PolarHBondContact O-N 3.32Š| ||
| 128 | R | 56.8 | Low | 67.4 | Low | 179 Ų | 179 | 65.4 Ų | 65.4 | 68% | 0.675 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -55.7 | -46 | -171.1 | -66 | -172.7 | -175.1 | 177.1 | -0.5 | 113.9 | P125 E132 | P125-R128 VanDerWaalsContact O-CG 3.29Å; P125-R128 WeakPolarHBondContact O-CG 3.49Å; R128-E132 WeakPolarHBondContact O-CA 3.34Å; R128-E132 WeakPolarHBondContact O-CB 3.04Å; R128-E132 PolarHBondContact O-N 3.03Å |
| 129 | A | 60.4 | Low | 67 | Low | 86 Ų | 86 | 67.6 Ų | 67.6 | 71% | 0.711 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -69.3 | -45 | -164.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q127 R133 | Q127-A129 PolarHBondContact O-N 3.32Å; A129-R133 WeakPolarHBondContact O-CB 3.46Å; A129-R133 PolarHBondContact O-N 3.08Å |
| 130 | E | 60.2 | Low | 67.1 | Low | 139 Ų | 139 | 71.7 Ų | 71.7 | 65% | 0.65 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -79.1 | -42.2 | -174.6 | -162 | 165.9 | -159.2 | 0 | 0 | 111.6 | R133 V134 | E130-R133 WeakPolarHBondContact O-CB 3.15Å; E130-R133 PolarHBondContact O-N 2.81Å; E130-V134 WeakPolarHBondContact O-CG2 3.4Å; E130-V134 PolarHBondContact O-N 3.5Å |
| 131 | V | 61.8 | Low | 67.5 | Low | 15 Ų | 15 | 70.8 Ų | 70.8 | 9% | 0.091 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 174.2 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | R133 K135 P176 | V131-R133 VanDerWaalsContact C-N 3.34Å; V131-K135 WeakPolarHBondContact O-CB 3.31Å; V131-K135 PolarHBondContact O-N 2.9Å; V131-P176 HydrophobicContact CB-CG 4.39Å; V131-P176 HydrophobicContact CG1-CG 3.68Å; V131-P176 HydrophobicContact CG2-CG 4.18Å |
| 132 | E | 65.3 | Low | 67.7 | Low | 94 Ų | 94 | 68.8 Ų | 68.8 | 44% | 0.439 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -71 | -30.2 | 177.1 | -166.3 | 153.6 | -153.5 | 0 | 0 | 112 | R128 N136 | R128-E132 WeakPolarHBondContact O-CA 3.34Å; R128-E132 WeakPolarHBondContact O-CB 3.04Å; R128-E132 PolarHBondContact O-N 3.03Å; E132-N136 VanDerWaalsContact O-CB 3.25Å; E132-N136 WeakPolarHBondContact O-CB 3.46Å; E132-N136 PolarHBondContact O-N 3.34Å; E132-N136 PolarHBondContact O-ND2 2.97Å |
| 133 | R | 70.1 | Confident | 68.3 | Low | 158 Ų | 158 | 70.4 Ų | 70.4 | 60% | 0.596 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -65.1 | -55.6 | 170.9 | -179.4 | -177.5 | 178.2 | 178.6 | 1.7 | 111.5 | A129 E130 V131 K135 N136 M137 | A129-R133 WeakPolarHBondContact O-CB 3.46Å; A129-R133 PolarHBondContact O-N 3.08Å; E130-R133 WeakPolarHBondContact O-CB 3.15Å; E130-R133 PolarHBondContact O-N 2.81Å; V131-R133 VanDerWaalsContact C-N 3.34Å; R133-K135 VanDerWaalsContact C-N 3.27Å; R133-K135 PolarHBondContact O-N 3.43Å; R133-N136 PolarHBondContact O-N 3.04Å; R133-M137 HydrophobicContact CG-CE 3.77Å; R133-M137 HydrophobicContact CG-SD 3.99Å; R133-M137 VanDerWaalsContact NE-CE 3.34Å; R133-M137 WeakPolarHBondContact O-CB 3.44Å; R133-M137 VanDerWaalsContact O-CG 3.28Å; R133-M137 WeakPolarHBondContact O-CG 3.42Å; R133-M137 PolarHBondContact O-N 2.78Å |
| 134 | V | 68.8 | Low | 69.2 | Low | 16 Ų | 16 | 69.7 Ų | 69.7 | 10% | 0.097 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.7 | -41.3 | 179.1 | 175.2 | 0 | 0 | 0 | 0 | 110.5 | E130 M137 L138 | E130-V134 WeakPolarHBondContact O-CG2 3.4Å; E130-V134 PolarHBondContact O-N 3.5Å; V134-M137 PolarHBondContact O-N 2.68Å; V134-L138 HydrophobicContact CG1-CD1 3.92Å; V134-L138 HydrophobicContact CG1-CG 4.43Å; V134-L138 WeakPolarHBondContact O-CB 3.39Å; V134-L138 WeakPolarHBondContact O-CG 3.2Å; V134-L138 PolarHBondContact O-N 2.59Å |
| 135 | K | 67.8 | Low | 70.5 | Confident | 62 Ų | 62 | 66.3 Ų | 66.3 | 27% | 0.27 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -57 | -53.9 | 173.1 | 171.1 | -170.7 | -176.5 | 173.3 | 0 | 112.8 | A120 V131 R133 M137 L138 L139 | A120-K135 HydrophobicContact CB-CB 4.45Å; A120-K135 HydrophobicContact CB-CD 3.74Å; A120-K135 HydrophobicContact CB-CG 3.72Å; V131-K135 WeakPolarHBondContact O-CB 3.31Å; V131-K135 PolarHBondContact O-N 2.9Å; R133-K135 VanDerWaalsContact C-N 3.27Å; R133-K135 PolarHBondContact O-N 3.43Å; K135-M137 VanDerWaalsContact C-N 3.26Å; K135-M137 PolarHBondContact O-N 3.08Å; K135-L138 PolarHBondContact O-N 3.03Å; K135-L139 HydrophobicContact CG-CD1 4.07Å; K135-L139 WeakPolarHBondContact O-CG 3.47Å; K135-L139 PolarHBondContact O-N 2.85Å |
| 136 | N | 73.1 | Confident | 71.9 | Confident | 70 Ų | 70 | 64.7 Ų | 64.7 | 37% | 0.374 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.1 | -35.1 | -177.7 | -75.5 | -24.7 | 0 | 0 | 0 | 110.7 | E132 R133 K140 | E132-N136 VanDerWaalsContact O-CB 3.25Å; E132-N136 WeakPolarHBondContact O-CB 3.46Å; E132-N136 PolarHBondContact O-N 3.34Å; E132-N136 PolarHBondContact O-ND2 2.97Å; R133-N136 PolarHBondContact O-N 3.04Å; N136-K140 WeakPolarHBondContact O-CB 3.5Å; N136-K140 WeakPolarHBondContact O-CG 3.12Å; N136-K140 PolarHBondContact O-N 3.33Å |
| 137 | M | 76.5 | Confident | 73.6 | Confident | 16 Ų | 16 | 57.3 Ų | 57.3 | 8% | 0.079 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.1 | -48.9 | 173.9 | -72.8 | 176.8 | 170.6 | 0 | 0 | 112.3 | R133 V134 K135 L139 K140 S141 I364 | R133-M137 HydrophobicContact CG-CE 3.77Å; R133-M137 HydrophobicContact CG-SD 3.99Å; R133-M137 VanDerWaalsContact NE-CE 3.34Å; R133-M137 WeakPolarHBondContact O-CB 3.44Å; R133-M137 VanDerWaalsContact O-CG 3.28Å; R133-M137 WeakPolarHBondContact O-CG 3.42Å; R133-M137 PolarHBondContact O-N 2.78Å; V134-M137 PolarHBondContact O-N 2.68Å; K135-M137 VanDerWaalsContact C-N 3.26Å; K135-M137 PolarHBondContact O-N 3.08Å; M137-L139 PolarHBondContact O-N 3.32Å; M137-K140 PolarHBondContact O-N 3.36Å; M137-S141 VanDerWaalsContact O-CB 3.27Å; M137-S141 WeakPolarHBondContact O-CB 3.23Å; M137-S141 PolarHBondContact O-N 2.82Å; M137-S141 PolarHBondContact O-OG 2.95Å; M137-I364 HydrophobicContact CE-CG2 4.08Å; M137-I364 HydrophobicContact SD-CG2 3.94Å |
| 138 | L | 74.3 | Confident | 75.1 | Confident | 15 Ų | 15 | 52.4 Ų | 52.4 | 8% | 0.079 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.5 | -36.9 | 178.5 | -74 | 169.4 | 0 | 0 | 0 | 113 | V134 K135 S141 N142 I168 I365 | V134-L138 HydrophobicContact CG1-CD1 3.92Å; V134-L138 HydrophobicContact CG1-CG 4.43Å; V134-L138 WeakPolarHBondContact O-CB 3.39Å; V134-L138 WeakPolarHBondContact O-CG 3.2Å; V134-L138 PolarHBondContact O-N 2.59Å; K135-L138 PolarHBondContact O-N 3.03Å; L138-S141 PolarHBondContact O-OG 2.92Å; L138-N142 PolarHBondContact O-ND2 3.44Å; L138-N142 VanDerWaalsContact O-ND2 3.14Å; L138-I168 HydrophobicContact CD1-CG1 4.43Å; L138-I365 HydrophobicContact CD2-CD1 3.86Å; L138-I365 HydrophobicContact CD2-CG2 4.33Å |
| 139 | L | 76.9 | Confident | 76.3 | Confident | 45 Ų | 45 | 43.9 Ų | 43.9 | 24% | 0.236 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -73.5 | -38.4 | 177.2 | -70.8 | 173.5 | 0 | 0 | 0 | 111.9 | M116 Q117 K135 M137 | M116-L139 HydrophobicContact CB-CD2 4.13Å; Q117-L139 HydrophobicContact CG-CD2 4.28Å; K135-L139 HydrophobicContact CG-CD1 4.07Å; K135-L139 WeakPolarHBondContact O-CG 3.47Å; K135-L139 PolarHBondContact O-N 2.85Å; M137-L139 PolarHBondContact O-N 3.32Å |
| 140 | K | 81.5 | Confident | 77.3 | Confident | 93 Ų | 93 | 39.8 Ų | 39.8 | 40% | 0.404 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -77.1 | -29.9 | 179.1 | -69.4 | -75.3 | 179.2 | 172.4 | 0 | 112.8 | N136 M137 N142 C143 A255 V258 | N136-K140 WeakPolarHBondContact O-CB 3.5Å; N136-K140 WeakPolarHBondContact O-CG 3.12Å; N136-K140 PolarHBondContact O-N 3.33Å; M137-K140 PolarHBondContact O-N 3.36Å; K140-N142 PolarHBondContact O-N 2.93Å; K140-C143 WeakPolarHBondContact O-CB 3.39Å; K140-C143 PolarHBondContact O-N 2.92Å; K140-A255 HydrophobicContact CB-CB 4.14Å; K140-A255 HydrophobicContact CD-CB 4.23Å; K140-V258 HydrophobicContact CG-CG1 4.42Å |
| 141 | S | 83.4 | Confident | 78.2 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.5 | -34.2 | 175.6 | 67.7 | 0 | 0 | 0 | 0 | 111.7 | M137 L138 C143 V144 L145 | M137-S141 VanDerWaalsContact O-CB 3.27Å; M137-S141 WeakPolarHBondContact O-CB 3.23Å; M137-S141 PolarHBondContact O-N 2.82Å; M137-S141 PolarHBondContact O-OG 2.95Å; L138-S141 PolarHBondContact O-OG 2.92Å; S141-C143 VanDerWaalsContact C-N 3.3Å; S141-C143 PolarHBondContact O-N 3.44Å; S141-V144 PolarHBondContact O-N 3.29Å; S141-V144 VanDerWaalsContact O-N 3.14Å; S141-L145 WeakPolarHBondContact O-CG 3.32Å; S141-L145 PolarHBondContact O-N 2.93Å |
| 142 | N | 81.9 | Confident | 78.9 | Confident | 11 Ų | 11 | 33.8 Ų | 33.8 | 6% | 0.059 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.9 | -40.6 | 173.5 | -65.4 | -44.5 | 0 | 0 | 0 | 112.6 | M116 L138 K140 V144 L145 E146 K164 | M116-N142 WeakPolarHBondContact CE-ND2 3.31Å; L138-N142 PolarHBondContact O-ND2 3.44Å; L138-N142 VanDerWaalsContact O-ND2 3.14Å; K140-N142 PolarHBondContact O-N 2.93Å; N142-V144 VanDerWaalsContact C-N 3.28Å; N142-V144 PolarHBondContact O-N 3.41Å; N142-L145 PolarHBondContact O-N 2.88Å; N142-E146 VanDerWaalsContact O-CB 3.31Å; N142-E146 WeakPolarHBondContact O-CB 3.42Å; N142-E146 WeakPolarHBondContact O-CG 3.45Å; N142-E146 PolarHBondContact O-N 2.96Å; N142-K164 PolarHBondContact OD1-NZ 2.87Å |
| 143 | C | 85.4 | Confident | 79.3 | Confident | 40 Ų | 40 | 29.7 Ų | 29.7 | 27% | 0.27 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -60.6 | -40.4 | 178.4 | -176.3 | 0 | 0 | 0 | 0 | 111.5 | K140 S141 A147 A255 | K140-C143 WeakPolarHBondContact O-CB 3.39Å; K140-C143 PolarHBondContact O-N 2.92Å; S141-C143 VanDerWaalsContact C-N 3.3Å; S141-C143 PolarHBondContact O-N 3.44Å; C143-A147 PolarHBondContact O-N 3.09Å; C143-A147 VanDerWaalsContact O-N 3.13Å; C143-A255 HydrophobicContact CB-CB 4.26Å |
| 144 | V | 88.1 | Confident | 79.2 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68.5 | -48.3 | 175.2 | -178.3 | 0 | 0 | 0 | 0 | 110.6 | S141 N142 E146 A147 F148 A255 M256 I259 I357 | S141-V144 PolarHBondContact O-N 3.29Å; S141-V144 VanDerWaalsContact O-N 3.14Å; N142-V144 VanDerWaalsContact C-N 3.28Å; N142-V144 PolarHBondContact O-N 3.41Å; V144-E146 VanDerWaalsContact C-N 3.27Å; V144-E146 PolarHBondContact O-N 2.73Å; V144-A147 PolarHBondContact O-N 2.93Å; V144-F148 HydrophobicContact CG1-CD2 4.16Å; V144-F148 HydrophobicContact CG1-CE2 4.29Å; V144-F148 WeakPolarHBondContact O-CD2 2.98Å; V144-F148 PolarHBondContact O-N 3.12Å; V144-A255 HydrophobicContact CG2-CB 3.89Å; V144-M256 HydrophobicContact CG1-CE 3.79Å; V144-M256 HydrophobicContact CG1-CG 4.46Å; V144-M256 HydrophobicContact CG2-CG 3.89Å; V144-I259 HydrophobicContact CG2-CD1 3.71Å; V144-I357 HydrophobicContact CG1-CG2 3.89Å |
| 145 | L | 86.2 | Confident | 79 | Confident | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.016 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64 | -33.2 | -179.3 | -63.3 | 174 | 0 | 0 | 0 | 112.4 | S141 N142 G149 F162 K164 I181 F354 V358 I361 | S141-L145 WeakPolarHBondContact O-CG 3.32Å; S141-L145 PolarHBondContact O-N 2.93Å; N142-L145 PolarHBondContact O-N 2.88Å; L145-G149 WeakPolarHBondContact O-CA 3.32Å; L145-G149 PolarHBondContact O-N 3.27Å; L145-F162 HydrophobicContact CB-CE2 4.5Å; L145-F162 HydrophobicContact CB-CZ 3.86Å; L145-K164 HydrophobicContact CD1-CD 4Å; L145-I181 HydrophobicContact CD1-CD1 4.19Å; L145-I181 HydrophobicContact CD1-CG2 4.31Å; L145-F354 HydrophobicContact CD2-CE2 3.84Å; L145-F354 HydrophobicContact CD2-CZ 3.87Å; L145-V358 HydrophobicContact CD2-CG2 3.67Å; L145-I361 HydrophobicContact CD2-CD1 4.28Å |
| 146 | E | 84.3 | Confident | 79.2 | Confident | 52 Ų | 52 | 28.8 Ų | 28.8 | 24% | 0.243 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.1 | -42.7 | 174.1 | -73.2 | -179.1 | -149.7 | 0 | 0 | 111.4 | T109 N142 V144 F148 G149 N150 N158 | T109-E146 WeakPolarHBondContact CG2-OE1 3.49Å; N142-E146 VanDerWaalsContact O-CB 3.31Å; N142-E146 WeakPolarHBondContact O-CB 3.42Å; N142-E146 WeakPolarHBondContact O-CG 3.45Å; N142-E146 PolarHBondContact O-N 2.96Å; V144-E146 VanDerWaalsContact C-N 3.27Å; V144-E146 PolarHBondContact O-N 2.73Å; E146-F148 VanDerWaalsContact C-N 3.31Å; E146-F148 PolarHBondContact O-N 3.38Å; E146-G149 PolarHBondContact O-N 2.94Å; E146-N150 WeakPolarHBondContact CG-ND2 3.26Å; E146-N150 WeakPolarHBondContact O-CA 3.36Å; E146-N150 WeakPolarHBondContact O-CB 3.34Å; E146-N150 PolarHBondContact O-N 3.05Å; E146-N158 PolarHBondContact OE2-ND2 3.17Å |
| 147 | A | 87.1 | Confident | 79.1 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.008 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.7 | -42 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | C143 V144 S205 V252 | C143-A147 PolarHBondContact O-N 3.09Å; C143-A147 VanDerWaalsContact O-N 3.13Å; V144-A147 PolarHBondContact O-N 2.93Å; A147-S205 WeakPolarHBondContact O-CB 3.08Å; A147-S205 PolarHBondContact O-N 2.93Å; A147-V252 HydrophobicContact CB-CG1 4.26Å; A147-V252 HydrophobicContact CB-CG2 3.68Å |
| 148 | F | 87.1 | Confident | 79.1 | Confident | 5 Ų | 5 | 30.1 Ų | 30.1 | 2% | 0.022 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -94.9 | -8.6 | -177.8 | -69.3 | -99 | 0 | 0 | 0 | 114.3 | V144 E146 K189 F203 M256 V269 L273 Y350 L353 F354 I357 | V144-F148 HydrophobicContact CG1-CD2 4.16Å; V144-F148 HydrophobicContact CG1-CE2 4.29Å; V144-F148 WeakPolarHBondContact O-CD2 2.98Å; V144-F148 PolarHBondContact O-N 3.12Å; E146-F148 VanDerWaalsContact C-N 3.31Å; E146-F148 PolarHBondContact O-N 3.38Å; F148-K189 PolarHBondContact O-NZ 2.95Å; F148-F203 WeakPolarHBondContact O-CD1 3.12Å; F148-M256 HydrophobicContact CD2-CE 4.48Å; F148-M256 HydrophobicContact CE2-CE 3.41Å; F148-M256 VanDerWaalsContact CE2-CE 3.41Å; F148-M256 HydrophobicContact CZ-CE 3.8Å; F148-V269 HydrophobicContact CE1-CG1 3.69Å; F148-V269 HydrophobicContact CZ-CG1 3.47Å; F148-V269 VanDerWaalsContact CZ-CG1 3.47Å; F148-L273 HydrophobicContact CE1-CD1 3.86Å; F148-L273 HydrophobicContact CE1-CD2 4.15Å; F148-L273 HydrophobicContact CE1-CG 4.32Å; F148-L273 HydrophobicContact CZ-CD1 4.14Å; F148-Y350 VanDerWaalsContact C-OH 3.25Å; F148-Y350 VanDerWaalsContact CA-OH 3.27Å; F148-Y350 WeakPolarHBondContact CA-OH 3.29Å; F148-Y350 HydrophobicContact CD1-CE2 4.49Å; F148-Y350 PolarHBondContact O-OH 3.49Å; F148-L353 HydrophobicContact CE1-CD2 4.13Å; F148-F354 HydrophobicContact CB-CD2 3.72Å; F148-F354 HydrophobicContact CB-CE2 4.1Å; F148-I357 HydrophobicContact CD1-CD1 3.87Å; F148-I357 HydrophobicContact CD2-CD1 4.2Å; F148-I357 HydrophobicContact CE1-CD1 3.82Å; F148-I357 HydrophobicContact CE2-CD1 4.19Å; F148-I357 HydrophobicContact CG-CD1 4.06Å; F148-I357 HydrophobicContact CZ-CD1 4Å |
| 149 | G | 81.8 | Confident | 79 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -122.9 | -14.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L145 E146 R161 | L145-G149 WeakPolarHBondContact O-CA 3.32Å; L145-G149 PolarHBondContact O-N 3.27Å; E146-G149 PolarHBondContact O-N 2.94Å; G149-R161 PolarHBondContact O-N 3.32Å; G149-R161 VanDerWaalsContact O-N 3.1Å |
| 150 | N | 81.7 | Confident | 78.9 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 151.2 | -179.3 | -60.2 | 15.6 | 0 | 0 | 0 | 111.7 | E146 N158 S159 S160 F203 H204 | E146-N150 WeakPolarHBondContact CG-ND2 3.26Å; E146-N150 WeakPolarHBondContact O-CA 3.36Å; E146-N150 WeakPolarHBondContact O-CB 3.34Å; E146-N150 PolarHBondContact O-N 3.05Å; N150-N158 WeakPolarHBondContact CB-OD1 3.36Å; N150-N158 PolarHBondContact ND2-OD1 3.39Å; N150-S159 VanDerWaalsContact CA-O 3.29Å; N150-S159 WeakPolarHBondContact CA-O 3.31Å; N150-S160 WeakPolarHBondContact OD1-CA 3.48Å; N150-F203 WeakPolarHBondContact O-CA 3.48Å; N150-F203 WeakPolarHBondContact O-CD1 3.45Å; N150-H204 PolarHBondContact O-CD2 3.39Å; N150-H204 VanDerWaalsContact O-CD2 3.27Å; N150-H204 PolarHBondContact O-N 3.18Å |
| 151 | A | 79.1 | Confident | 78.6 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 159.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | S159 R161 | A151-S159 PolarHBondContact N-O 3.24Å; A151-S159 VanDerWaalsContact N-O 3.11Å; A151-S159 VanDerWaalsContact O-CB 3.31Å; A151-S159 WeakPolarHBondContact O-CB 3.45Å; A151-S159 PolarHBondContact O-N 3.48Å; A151-R161 HydrophobicContact CB-CG 4.42Å |
| 152 | K | 77.3 | Confident | 78.3 | Confident | 27 Ų | 27 | 25 Ų | 25 | 12% | 0.117 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 126.6 | 169.9 | 175.4 | 172.9 | -176.3 | -179.6 | 0 | 109.8 | D157 R201 S241 | K152-D157 WeakPolarHBondContact CA-O 3.37Å; K152-D157 WeakPolarHBondContact CE-OD1 3.17Å; K152-R201 HydrophobicContact CB-CB 3.98Å; K152-R201 HydrophobicContact CB-CG 4.06Å; K152-R201 HydrophobicContact CD-CG 4.28Å; K152-R201 PolarHBondContact O-N 3.1Å; K152-S241 PolarHBondContact NZ-OG 3.43Å |
| 153 | T | 72.3 | Confident | 78 | Confident | 9 Ų | 9 | 24.4 Ų | 24.4 | 6% | 0.055 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 168.8 | 169 | 65.7 | 0 | 0 | 0 | 0 | 109.6 | R155 N156 E200 | T153-R155 PolarHBondContact O-N 3.06Å; T153-R155 PolarHBondContact OG1-N 3.4Å; T153-N156 PolarHBondContact N-O 3.05Å; T153-N156 PolarHBondContact O-N 2.93Å; T153-N156 VanDerWaalsContact O-O 3.11Å; T153-N156 PolarHBondContact OG1-N 3.36Å; T153-N156 PolarHBondContact OG1-O 2.88Å; T153-E200 WeakPolarHBondContact CA-OE1 3.42Å; T153-E200 WeakPolarHBondContact CB-OE1 3.32Å; T153-E200 WeakPolarHBondContact CG2-OE1 3.35Å |
| 154 | N | 68.9 | Low | 77.8 | Confident | 102 Ų | 102 | 23 Ų | 23 | 55% | 0.545 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -21.5 | 175.8 | -70.1 | -17.4 | 0 | 0 | 0 | 113 | E198 G199 | N154-E198 PolarHBondContact ND2-O 3.2Å; N154-E198 PolarHBondContact OD1-O 3.4Å; N154-G199 WeakPolarHBondContact OD1-CA 3.44Å; N154-G199 PolarHBondContact OD1-O 2.74Å; N154-G199 VanDerWaalsContact OD1-O 3.08Å |
| 155 | R | 64.6 | Low | 77.6 | Confident | 86 Ų | 86 | 23 Ų | 23 | 33% | 0.325 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -21.9 | -176.8 | -63 | -175.2 | -179.1 | 174.6 | 4.4 | 114.3 | T153 I391 K596 | T153-R155 PolarHBondContact O-N 3.06Å; T153-R155 PolarHBondContact OG1-N 3.4Å; R155-I391 PolarHBondContact NH2-O 3.32Å; R155-K596 PolarHBondContact O-NZ 2.72Å |
| 156 | N | 70.6 | Confident | 77.6 | Confident | 28 Ų | 28 | 22.9 Ų | 22.9 | 15% | 0.15 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 135.8 | -173.9 | -179.2 | 13.9 | 0 | 0 | 0 | 111.3 | S104 G105 T153 N158 S159 | S104-N156 WeakPolarHBondContact OG-CB 3.09Å; S104-N156 PolarHBondContact OG-ND2 3.18Å; S104-N156 VanDerWaalsContact OG-ND2 3.15Å; G105-N156 PolarHBondContact N-ND2 3.45Å; T153-N156 PolarHBondContact N-O 3.05Å; T153-N156 PolarHBondContact O-N 2.93Å; T153-N156 VanDerWaalsContact O-O 3.11Å; T153-N156 PolarHBondContact OG1-N 3.36Å; T153-N156 PolarHBondContact OG1-O 2.88Å; N156-N158 PolarHBondContact ND2-O 3.22Å; N156-N158 VanDerWaalsContact ND2-O 3.11Å; N156-N158 PolarHBondContact OD1-N 2.87Å; N156-N158 VanDerWaalsContact OD1-N 3.16Å; N156-S159 VanDerWaalsContact ND2-CA 3.31Å; N156-S159 WeakPolarHBondContact ND2-CA 3.11Å; N156-S159 PolarHBondContact ND2-N 3.14Å |
| 157 | D | 72.1 | Confident | 77.7 | Confident | 54 Ų | 54 | 21.4 Ų | 21.4 | 29% | 0.289 | 11% | 0.107 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | -28.8 | -178.6 | -65.8 | -23 | 0 | 0 | 0 | 113.3 | K152 H204 I243 K601 | K152-D157 WeakPolarHBondContact CA-O 3.37Å; K152-D157 WeakPolarHBondContact CE-OD1 3.17Å; D157-H204 PolarHBondContact O-CE1 3.32Å; D157-H204 PolarHBondContact O-NE2 3.01Å; D157-I243 HydrophobicContact CB-CD1 4.23Å; D157-K601 IonicContact OD1-NZ 3.2Å; D157-K601 PolarHBondContact OD1-NZ 2.93Å; D157-K601 IonicContact OD2-NZ 3.74Å; D157-K601 PolarHBondContact OD2-NZ 3.07Å |
| 158 | N | 75.5 | Confident | 77.6 | Confident | 61 Ų | 61 | 21.7 Ų | 21.7 | 33% | 0.326 | 11% | 0.108 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 66.3 | -180 | -168.6 | 19.5 | 0 | 0 | 0 | 109.1 | E146 N150 N156 H204 | E146-N158 PolarHBondContact OE2-ND2 3.17Å; N150-N158 WeakPolarHBondContact CB-OD1 3.36Å; N150-N158 PolarHBondContact ND2-OD1 3.39Å; N156-N158 PolarHBondContact ND2-O 3.22Å; N156-N158 VanDerWaalsContact ND2-O 3.11Å; N156-N158 PolarHBondContact OD1-N 2.87Å; N156-N158 VanDerWaalsContact OD1-N 3.16Å; N158-H204 PolarHBondContact OD1-NE2 3.06Å |
| 159 | S | 73.1 | Confident | 77.5 | Confident | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.007 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 116.2 | -178.9 | -173.8 | 0 | 0 | 0 | 0 | 110.4 | S104 N150 A151 N156 R161 | S104-S159 WeakPolarHBondContact OG-CB 3.29Å; S104-S159 PolarHBondContact OG-OG 3.34Å; N150-S159 VanDerWaalsContact CA-O 3.29Å; N150-S159 WeakPolarHBondContact CA-O 3.31Å; A151-S159 PolarHBondContact N-O 3.24Å; A151-S159 VanDerWaalsContact N-O 3.11Å; A151-S159 VanDerWaalsContact O-CB 3.31Å; A151-S159 WeakPolarHBondContact O-CB 3.45Å; A151-S159 PolarHBondContact O-N 3.48Å; N156-S159 VanDerWaalsContact ND2-CA 3.31Å; N156-S159 WeakPolarHBondContact ND2-CA 3.11Å; N156-S159 PolarHBondContact ND2-N 3.14Å; S159-R161 WeakPolarHBondContact O-CG 3.35Å; S159-R161 PolarHBondContact O-N 2.98Å |
| 160 | S | 74.6 | Confident | 77.3 | Confident | 23 Ų | 23 | 23.2 Ų | 23.2 | 16% | 0.161 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 129.1 | 165.5 | -176.5 | 0 | 0 | 0 | 0 | 110.3 | N150 F162 | N150-S160 WeakPolarHBondContact OD1-CA 3.48Å; S160-F162 PolarHBondContact OG-O 3.1Å |
| 161 | R | 75.3 | Confident | 77.2 | Confident | 11 Ų | 11 | 24.8 Ų | 24.8 | 4% | 0.042 | 13% | 0.125 | C | C | . | . | trans | -113.6 | 18.2 | 177.8 | -50.4 | -54.3 | -82.7 | 165.6 | -20.2 | 112.4 | G149 A151 S159 K188 E390 | G149-R161 PolarHBondContact O-N 3.32Å; G149-R161 VanDerWaalsContact O-N 3.1Å; A151-R161 HydrophobicContact CB-CG 4.42Å; S159-R161 WeakPolarHBondContact O-CG 3.35Å; S159-R161 PolarHBondContact O-N 2.98Å; R161-K188 HydrophobicContact CB-CD 4.48Å; R161-E390 IonicContact CZ-OE1 3.03Å; R161-E390 IonicContact NH1-OE1 3.32Å; R161-E390 PolarHBondContact NH1-OE1 3.41Å; R161-E390 IonicContact NH2-OE1 2.64Å | ||
| 162 | F | 76.4 | Confident | 76.8 | Confident | 9 Ų | 9 | 31 Ų | 31 | 4% | 0.039 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -139.2 | 150.6 | 174.2 | 68.5 | -73.9 | 0 | 0 | 0 | 109.9 | L145 S160 K164 F354 | L145-F162 HydrophobicContact CB-CE2 4.5Å; L145-F162 HydrophobicContact CB-CZ 3.86Å; S160-F162 PolarHBondContact OG-O 3.1Å; F162-K164 HydrophobicContact CD2-CB 4.24Å; F162-K164 HydrophobicContact CE2-CB 3.74Å; F162-K164 HydrophobicContact CE2-CD 4.35Å; F162-K164 HydrophobicContact CE2-CG 4.11Å; F162-F354 HydrophobicContact CD1-CZ 4.48Å; F162-F354 HydrophobicContact CD2-CE1 4.34Å; F162-F354 AromaticContact CD2-CZ 3.97Å; F162-F354 HydrophobicContact CD2-CZ 3.97Å; F162-F354 HydrophobicContact CE1-CZ 4.5Å; F162-F354 AromaticContact CE2-CZ 3.96Å; F162-F354 HydrophobicContact CE2-CZ 3.96Å; F162-F354 HydrophobicContact CG-CZ 4.24Å; F162-F354 HydrophobicContact CZ-CZ 4.25Å |
| 163 | G | 76.3 | Confident | 76.5 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 134.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y184 | G163-Y184 PolarHBondContact N-O 3.05Å; G163-Y184 PolarHBondContact O-N 3.18Å |
| 164 | K | 81.1 | Confident | 76.3 | Confident | 9 Ų | 9 | 35.6 Ų | 35.6 | 4% | 0.039 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 120.8 | 178.3 | -171.6 | -172.6 | 67.8 | -178.8 | 0 | 109.3 | N142 L145 F162 M166 I181 D385 | N142-K164 PolarHBondContact OD1-NZ 2.87Å; L145-K164 HydrophobicContact CD1-CD 4Å; F162-K164 HydrophobicContact CD2-CB 4.24Å; F162-K164 HydrophobicContact CE2-CB 3.74Å; F162-K164 HydrophobicContact CE2-CD 4.35Å; F162-K164 HydrophobicContact CE2-CG 4.11Å; K164-M166 HydrophobicContact CD-CG 3.93Å; K164-M166 HydrophobicContact CD-SD 3.77Å; K164-M166 VanDerWaalsContact CE-CE 3.48Å; K164-M166 WeakPolarHBondContact CE-SD 3.4Å; K164-M166 HydrophobicContact CG-CG 3.96Å; K164-M166 HydrophobicContact CG-SD 4.46Å; K164-M166 PolarHBondContact NZ-SD 3.25Å; K164-M166 VanDerWaalsContact NZ-SD 3.43Å; K164-I181 HydrophobicContact CG-CG2 4.04Å; K164-D385 PolarHBondContact N-O 3.45Å; K164-D385 PolarHBondContact O-N 3.27Å |
| 165 | Y | 85.3 | Confident | 76.6 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 124.8 | 169.5 | -176.3 | -114.4 | 0 | 0 | 0 | 108.9 | D167 I181 N182 Y184 V383 L384 N583 L584 K587 | Y165-D167 VanDerWaalsContact CE1-CG 3.4Å; Y165-D167 WeakPolarHBondContact CE1-OD1 3.41Å; Y165-D167 VanDerWaalsContact CE1-OD2 3.26Å; Y165-D167 WeakPolarHBondContact CE1-OD2 3.44Å; Y165-D167 PolarHBondContact OH-OD1 3.46Å; Y165-D167 VanDerWaalsContact OH-OD1 3.06Å; Y165-I181 CarbonylContact O-C 3.58Å; Y165-I181 WeakPolarHBondContact O-CA 3.18Å; Y165-N182 HydrophobicContact CD1-CB 4.29Å; Y165-N182 PolarHBondContact N-O 3.07Å; Y165-N182 PolarHBondContact O-N 2.68Å; Y165-Y184 HydrophobicContact CG-CE2 4.29Å; Y165-V383 WeakPolarHBondContact CA-O 3.44Å; Y165-L384 HydrophobicContact CD2-CB 3.78Å; Y165-L384 HydrophobicContact CD2-CD1 3.83Å; Y165-L384 HydrophobicContact CD2-CG 4.35Å; Y165-L384 HydrophobicContact CE2-CB 4.27Å; Y165-L384 HydrophobicContact CG-CD1 4.29Å; Y165-N583 WeakPolarHBondContact CE1-ND2 3.28Å; Y165-L584 HydrophobicContact CE2-CD2 4.1Å; Y165-K587 WeakPolarHBondContact OH-CE 3.48Å; Y165-K587 PolarHBondContact OH-NZ 3.25Å |
| 166 | M | 85.3 | Confident | 77 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 114.5 | 178.9 | -60.8 | 179 | -59.2 | 0 | 0 | 108.8 | M116 K164 H180 I181 G382 V383 | M116-M166 HydrophobicContact CE-CE 3.79Å; M116-M166 HydrophobicContact CG-CE 4.32Å; M116-M166 HydrophobicContact SD-CE 3.35Å; M116-M166 WeakPolarHBondContact SD-CE 3.48Å; M116-M166 HydrophobicContact SD-SD 4.01Å; K164-M166 HydrophobicContact CD-CG 3.93Å; K164-M166 HydrophobicContact CD-SD 3.77Å; K164-M166 VanDerWaalsContact CE-CE 3.48Å; K164-M166 WeakPolarHBondContact CE-SD 3.4Å; K164-M166 HydrophobicContact CG-CG 3.96Å; K164-M166 HydrophobicContact CG-SD 4.46Å; K164-M166 PolarHBondContact NZ-SD 3.25Å; K164-M166 VanDerWaalsContact NZ-SD 3.43Å; M166-H180 CarbonylContact C-O 3.57Å; M166-H180 WeakPolarHBondContact CA-O 3.49Å; M166-I181 HydrophobicContact CG-CG1 4.18Å; M166-I181 HydrophobicContact CG-CG2 4.31Å; M166-G382 CarbonylContact O-C 3.54Å; M166-G382 VanDerWaalsContact O-CA 3.31Å; M166-G382 WeakPolarHBondContact O-CA 3.47Å; M166-V383 HydrophobicContact CE-CB 4.15Å; M166-V383 HydrophobicContact CE-CG1 4.25Å; M166-V383 PolarHBondContact N-O 3.18Å; M166-V383 PolarHBondContact O-N 3.47Å |
| 167 | D | 86.2 | Confident | 77.2 | Confident | 21 Ų | 21 | 29 Ų | 29 | 11% | 0.112 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 128.2 | 167 | -76 | -32.5 | 0 | 0 | 0 | 108.8 | Y165 G179 H180 V380 K587 | Y165-D167 VanDerWaalsContact CE1-CG 3.4Å; Y165-D167 WeakPolarHBondContact CE1-OD1 3.41Å; Y165-D167 VanDerWaalsContact CE1-OD2 3.26Å; Y165-D167 WeakPolarHBondContact CE1-OD2 3.44Å; Y165-D167 PolarHBondContact OH-OD1 3.46Å; Y165-D167 VanDerWaalsContact OH-OD1 3.06Å; D167-G179 CarbonylContact O-C 3.52Å; D167-G179 WeakPolarHBondContact O-CA 3.44Å; D167-H180 HydrophobicContact CB-CB 4.33Å; D167-H180 PolarHBondContact N-O 3.01Å; D167-H180 PolarHBondContact O-N 3.11Å; D167-V380 HydrophobicContact CB-CG1 3.62Å; D167-V380 WeakPolarHBondContact OD1-CG1 3.31Å; D167-K587 IonicContact OD1-NZ 3.42Å |
| 168 | I | 84.7 | Confident | 77.5 | Confident | 7 Ų | 7 | 26.4 Ų | 26.4 | 4% | 0.036 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 118.4 | 171.9 | -54.2 | 172.6 | 0 | 0 | 0 | 106.8 | L138 F170 P176 V380 I381 | L138-I168 HydrophobicContact CD1-CG1 4.43Å; I168-F170 HydrophobicContact CB-CE2 3.81Å; I168-F170 HydrophobicContact CB-CZ 4.3Å; I168-F170 HydrophobicContact CG2-CD2 4.32Å; I168-F170 HydrophobicContact CG2-CE1 4.5Å; I168-F170 HydrophobicContact CG2-CE2 3.5Å; I168-F170 HydrophobicContact CG2-CZ 3.61Å; I168-F170 VanDerWaalsContact O-CD2 3.24Å; I168-F170 WeakPolarHBondContact O-CD2 3.33Å; I168-F170 WeakPolarHBondContact O-CE2 3.32Å; I168-P176 HydrophobicContact CG2-CB 4.25Å; I168-V380 WeakPolarHBondContact O-CA 3.31Å; I168-I381 PolarHBondContact N-O 2.95Å; I168-I381 PolarHBondContact O-N 2.94Å |
| 169 | N | 84.6 | Confident | 77.7 | Confident | 37 Ų | 37 | 23.6 Ų | 23.6 | 20% | 0.198 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 130.9 | -176.1 | -64.9 | -4.9 | 0 | 0 | 0 | 109.8 | P176 I177 G178 V380 | N169-P176 CarbonylContact O-C 3.58Å; N169-P176 WeakPolarHBondContact O-CA 3.32Å; N169-I177 PolarHBondContact O-N 3.4Å; N169-G178 PolarHBondContact N-O 2.93Å; N169-V380 WeakPolarHBondContact OD1-CG2 3.15Å |
| 170 | F | 79.4 | Confident | 78.3 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 141.3 | 179.5 | -66.6 | -93.1 | 0 | 0 | 0 | 111.8 | Y86 M89 I119 T123 I168 D175 P176 T379 I381 | Y86-F170 HydrophobicContact CE2-CD1 4.39Å; Y86-F170 HydrophobicContact CE2-CE1 4.17Å; M89-F170 HydrophobicContact CE-CB 3.88Å; M89-F170 HydrophobicContact CE-CD1 3.76Å; M89-F170 HydrophobicContact CE-CD2 3.78Å; M89-F170 HydrophobicContact CE-CE1 4.24Å; M89-F170 HydrophobicContact CE-CE2 4.28Å; M89-F170 HydrophobicContact CE-CG 3.51Å; M89-F170 HydrophobicContact CE-CZ 4.49Å; M89-F170 HydrophobicContact SD-CB 4.21Å; M89-F170 HydrophobicContact SD-CG 4.45Å; I119-F170 HydrophobicContact CG2-CE1 4.15Å; I119-F170 HydrophobicContact CG2-CZ 3.58Å; T123-F170 HydrophobicContact CG2-CE1 4.31Å; I168-F170 HydrophobicContact CB-CE2 3.81Å; I168-F170 HydrophobicContact CB-CZ 4.3Å; I168-F170 HydrophobicContact CG2-CD2 4.32Å; I168-F170 HydrophobicContact CG2-CE1 4.5Å; I168-F170 HydrophobicContact CG2-CE2 3.5Å; I168-F170 HydrophobicContact CG2-CZ 3.61Å; I168-F170 VanDerWaalsContact O-CD2 3.24Å; I168-F170 WeakPolarHBondContact O-CD2 3.33Å; I168-F170 WeakPolarHBondContact O-CE2 3.32Å; F170-D175 WeakPolarHBondContact CA-O 3.24Å; F170-P176 HydrophobicContact CD1-CB 4.24Å; F170-P176 HydrophobicContact CE1-CB 3.96Å; F170-P176 HydrophobicContact CZ-CB 4.48Å; F170-T379 PolarHBondContact N-O 2.94Å; F170-T379 PolarHBondContact O-N 2.64Å; F170-T379 VanDerWaalsContact O-N 3.16Å; F170-I381 HydrophobicContact CD2-CB 4.47Å; F170-I381 HydrophobicContact CD2-CD1 4.2Å; F170-I381 HydrophobicContact CD2-CG1 3.89Å; F170-I381 HydrophobicContact CE2-CB 3.78Å; F170-I381 HydrophobicContact CE2-CD1 3.56Å; F170-I381 HydrophobicContact CE2-CG1 3.47Å; F170-I381 VanDerWaalsContact CE2-CG1 3.47Å; F170-I381 HydrophobicContact CZ-CD1 3.88Å; F170-I381 HydrophobicContact CZ-CG1 4.29Å |
| 171 | D | 77.9 | Confident | 78.8 | Confident | 34 Ų | 34 | 25.4 Ų | 25.4 | 18% | 0.182 | 12% | 0.121 | C | C | . | . | trans | -57.4 | 153.2 | 162.1 | -177.7 | -20.8 | 0 | 0 | 0 | 109.5 | K173 G174 D175 I177 | D171-K173 HydrophobicContact CB-CB 4.41Å; D171-K173 PolarHBondContact O-N 3.01Å; D171-K173 VanDerWaalsContact O-N 3.14Å; D171-K173 PolarHBondContact OD1-N 3.25Å; D171-G174 WeakPolarHBondContact O-CA 3.5Å; D171-G174 PolarHBondContact O-N 3.39Å; D171-D175 PolarHBondContact N-O 3.49Å; D171-I177 HydrophobicContact CB-CD1 3.74Å; D171-I177 HydrophobicContact CB-CG1 3.96Å | ||
| 172 | F | 71.4 | Confident | 79.1 | Confident | 131 Ų | 131 | 26.8 Ų | 26.8 | 58% | 0.575 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -44.8 | -32.9 | 159.7 | -177.9 | -100.9 | 0 | 0 | 0 | 114.3 | G174 | F172-G174 PolarHBondContact O-N 3.19Š|
| 173 | K | 70.7 | Confident | 79.3 | Confident | 131 Ų | 131 | 28.2 Ų | 28.2 | 57% | 0.57 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -18.3 | 173.8 | -64.9 | 178.4 | -173.9 | 168.3 | 0 | 113.6 | K90 D171 | K90-K173 PolarHBondContact NZ-O 2.93Å; D171-K173 HydrophobicContact CB-CB 4.41Å; D171-K173 PolarHBondContact O-N 3.01Å; D171-K173 VanDerWaalsContact O-N 3.14Å; D171-K173 PolarHBondContact OD1-N 3.25Å |
| 174 | G | 69.2 | Low | 79.1 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | S | Bend | trans | 89.3 | 23.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y86 D171 F172 | Y86-G174 PolarHBondContact OH-O 2.64Å; D171-G174 WeakPolarHBondContact O-CA 3.5Å; D171-G174 PolarHBondContact O-N 3.39Å; F172-G174 PolarHBondContact O-N 3.19Å |
| 175 | D | 73.6 | Confident | 78.2 | Confident | 14 Ų | 14 | 29.9 Ų | 29.9 | 8% | 0.075 | 15% | 0.145 | C | C | . | . | trans | -100.6 | 142.2 | 174.3 | -66.8 | -45.9 | 0 | 0 | 0 | 110.3 | N124 F170 D171 I177 | N124-D175 PolarHBondContact N-OD1 3.27Å; F170-D175 WeakPolarHBondContact CA-O 3.24Å; D171-D175 PolarHBondContact N-O 3.49Å; D175-I177 PolarHBondContact O-N 3.32Å | ||
| 176 | P | 73.9 | Confident | 76.7 | Confident | 17 Ų | 17 | 30.7 Ų | 30.7 | 11% | 0.11 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 122 | -174.7 | 30.9 | -32.8 | 0 | 0 | 0 | 110 | T123 V131 I168 N169 F170 | T123-P176 HydrophobicContact CG2-CG 4.25Å; V131-P176 HydrophobicContact CB-CG 4.39Å; V131-P176 HydrophobicContact CG1-CG 3.68Å; V131-P176 HydrophobicContact CG2-CG 4.18Å; I168-P176 HydrophobicContact CG2-CB 4.25Å; N169-P176 CarbonylContact O-C 3.58Å; N169-P176 WeakPolarHBondContact O-CA 3.32Å; F170-P176 HydrophobicContact CD1-CB 4.24Å; F170-P176 HydrophobicContact CE1-CB 3.96Å; F170-P176 HydrophobicContact CZ-CB 4.48Å |
| 177 | I | 74.8 | Confident | 74.8 | Confident | 47 Ų | 47 | 32.1 Ų | 32.1 | 24% | 0.241 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | -34.4 | -178.8 | -48.2 | 174 | 0 | 0 | 0 | 110.3 | N169 D171 D175 V367 | N169-I177 PolarHBondContact O-N 3.4Å; D171-I177 HydrophobicContact CB-CD1 3.74Å; D171-I177 HydrophobicContact CB-CG1 3.96Å; D175-I177 PolarHBondContact O-N 3.32Å; I177-V367 HydrophobicContact CB-CG2 4.02Å; I177-V367 HydrophobicContact CG2-CB 4.2Å; I177-V367 HydrophobicContact CG2-CG1 3.6Å; I177-V367 HydrophobicContact CG2-CG2 3.47Å; I177-V367 VanDerWaalsContact CG2-CG2 3.47Å |
| 178 | G | 78.4 | Confident | 73 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174.2 | -157.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N169 I365 | N169-G178 PolarHBondContact N-O 2.93Å; G178-I365 WeakPolarHBondContact CA-O 3.47Å |
| 179 | G | 80.7 | Confident | 71.3 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.9 | 170.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113 | D167 I365 | D167-G179 CarbonylContact O-C 3.52Å; D167-G179 WeakPolarHBondContact O-CA 3.44Å; G179-I365 VanDerWaalsContact N-CG2 3.33Å; G179-I365 PolarHBondContact N-O 3.06Å; G179-I365 VanDerWaalsContact O-CG2 3.26Å; G179-I365 WeakPolarHBondContact O-CG2 3.34Å |
| 180 | H | 84.7 | Confident | 69.6 | Low | 61 Ų | 61 | 30.5 Ų | 30.5 | 28% | 0.282 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 131.8 | -176.7 | -168.3 | -88.7 | 0 | 0 | 0 | 110 | M166 D167 N182 N362 | M166-H180 CarbonylContact C-O 3.57Å; M166-H180 WeakPolarHBondContact CA-O 3.49Å; D167-H180 HydrophobicContact CB-CB 4.33Å; D167-H180 PolarHBondContact N-O 3.01Å; D167-H180 PolarHBondContact O-N 3.11Å; H180-N182 PolarHBondContact CE1-OD1 3.42Å; H180-N182 PolarHBondContact ND1-OD1 3.48Å; H180-N362 PolarHBondContact NE2-ND2 3.38Å |
| 181 | I | 84.8 | Confident | 68.7 | Low | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 115.4 | 178.9 | -52 | -176.9 | 0 | 0 | 0 | 108.8 | L145 K164 Y165 M166 V358 I361 N362 I365 | L145-I181 HydrophobicContact CD1-CD1 4.19Å; L145-I181 HydrophobicContact CD1-CG2 4.31Å; K164-I181 HydrophobicContact CG-CG2 4.04Å; Y165-I181 CarbonylContact O-C 3.58Å; Y165-I181 WeakPolarHBondContact O-CA 3.18Å; M166-I181 HydrophobicContact CG-CG1 4.18Å; M166-I181 HydrophobicContact CG-CG2 4.31Å; I181-V358 HydrophobicContact CB-CG1 4.36Å; I181-V358 HydrophobicContact CG2-CG1 4.37Å; I181-V358 WeakPolarHBondContact O-CG1 2.94Å; I181-I361 HydrophobicContact CD1-CG2 3.81Å; I181-N362 WeakPolarHBondContact CB-OD1 3.45Å; I181-N362 PolarHBondContact N-OD1 2.92Å; I181-N362 PolarHBondContact O-ND2 2.8Å; I181-I365 HydrophobicContact CD1-CD1 4.34Å |
| 182 | N | 82.4 | Confident | 68.2 | Low | 39 Ų | 39 | 31.3 Ų | 31.3 | 21% | 0.209 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 127.8 | 168.3 | -69.3 | -27.8 | 0 | 0 | 0 | 109.6 | Y165 H180 Y184 | Y165-N182 HydrophobicContact CD1-CB 4.29Å; Y165-N182 PolarHBondContact N-O 3.07Å; Y165-N182 PolarHBondContact O-N 2.68Å; H180-N182 PolarHBondContact CE1-OD1 3.42Å; H180-N182 PolarHBondContact ND1-OD1 3.48Å; N182-Y184 HydrophobicContact CB-CD2 4.47Å; N182-Y184 HydrophobicContact CB-CE2 3.69Å |
| 183 | N | 79.5 | Confident | 68.3 | Low | 40 Ų | 40 | 25.1 Ų | 25.1 | 21% | 0.214 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 129.9 | 172.2 | 53.2 | -18.8 | 0 | 0 | 0 | 109.8 | L186 F354 V358 | N183-L186 WeakPolarHBondContact ND2-CD1 3.06Å; N183-F354 HydrophobicContact CB-CE1 3.96Å; N183-V358 HydrophobicContact CB-CG2 4.49Å |
| 184 | Y | 72.6 | Confident | 68.4 | Low | 20 Ų | 20 | 20.3 Ų | 20.3 | 8% | 0.078 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 145.3 | 177.3 | -63.9 | -75.7 | 0 | 0 | 0 | 110.4 | G163 Y165 N182 M577 L580 | G163-Y184 PolarHBondContact N-O 3.05Å; G163-Y184 PolarHBondContact O-N 3.18Å; Y165-Y184 HydrophobicContact CG-CE2 4.29Å; N182-Y184 HydrophobicContact CB-CD2 4.47Å; N182-Y184 HydrophobicContact CB-CE2 3.69Å; Y184-M577 HydrophobicContact CD1-CE 3.9Å; Y184-M577 HydrophobicContact CG-CE 4.26Å; Y184-L580 HydrophobicContact CD1-CD2 4.5Å; Y184-L580 HydrophobicContact CD2-CD1 4.37Å; Y184-L580 HydrophobicContact CD2-CD2 4.21Å; Y184-L580 HydrophobicContact CE1-CB 4.04Å; Y184-L580 HydrophobicContact CE1-CD1 4.5Å; Y184-L580 HydrophobicContact CE2-CD1 3.63Å; Y184-L580 HydrophobicContact CE2-CD2 4.23Å; Y184-L580 HydrophobicContact CE2-CG 4.36Å; Y184-L580 HydrophobicContact CG-CD2 4.35Å |
| 185 | L | 62.3 | Low | 68.6 | Low | 23 Ų | 23 | 26.8 Ų | 26.8 | 12% | 0.12 | 13% | 0.133 | C | C | . | . | trans | 51.3 | 79.2 | -179 | -66 | 90.5 | 0 | 0 | 0 | 114.9 | Y387 C401 I402 F573 M577 | L185-Y387 HydrophobicContact CB-CE1 4.05Å; L185-Y387 HydrophobicContact CD1-CE1 3.76Å; L185-Y387 WeakPolarHBondContact CD1-OH 3.38Å; L185-Y387 HydrophobicContact CD2-CE1 4.07Å; L185-Y387 WeakPolarHBondContact CD2-OH 3.49Å; L185-Y387 HydrophobicContact CG-CE1 4.14Å; L185-Y387 WeakPolarHBondContact CG-OH 3.21Å; L185-C401 HydrophobicContact CD2-CB 4.22Å; L185-I402 HydrophobicContact CD2-CG1 4.48Å; L185-F573 HydrophobicContact CD1-CD2 4.12Å; L185-F573 HydrophobicContact CD1-CE2 3.35Å; L185-F573 HydrophobicContact CD1-CZ 4.19Å; L185-F573 HydrophobicContact CD2-CD2 3.9Å; L185-F573 HydrophobicContact CD2-CE2 3.31Å; L185-F573 HydrophobicContact CD2-CZ 3.63Å; L185-F573 HydrophobicContact CG-CD2 3.68Å; L185-F573 HydrophobicContact CG-CE2 3.25Å; L185-F573 HydrophobicContact CG-CZ 4.08Å; L185-M577 HydrophobicContact CD1-CE 3.73Å; L185-M577 HydrophobicContact CD1-SD 4.34Å | ||
| 186 | L | 53.1 | Low | 68.5 | Low | 17 Ų | 17 | 26.7 Ų | 26.7 | 9% | 0.089 | 13% | 0.132 | C | C | . | . | trans | -80.7 | -16.7 | 168.2 | -86.9 | 149.4 | 0 | 0 | 0 | 113.9 | N183 K188 K189 E351 F354 C355 | N183-L186 WeakPolarHBondContact ND2-CD1 3.06Å; L186-K188 VanDerWaalsContact C-N 3.27Å; L186-K188 PolarHBondContact O-N 3.27Å; L186-K188 VanDerWaalsContact O-N 3.17Å; L186-K189 HydrophobicContact CD2-CD 3.53Å; L186-K189 VanDerWaalsContact CD2-CE 3.46Å; L186-K189 HydrophobicContact CD2-CG 4.08Å; L186-K189 WeakPolarHBondContact O-CA 3.34Å; L186-K189 WeakPolarHBondContact O-CB 3.31Å; L186-K189 VanDerWaalsContact O-CG 3.31Å; L186-K189 WeakPolarHBondContact O-CG 3.11Å; L186-K189 PolarHBondContact O-N 3.4Å; L186-E351 HydrophobicContact CB-CG 4.1Å; L186-E351 HydrophobicContact CD1-CG 4.19Å; L186-E351 HydrophobicContact CD2-CG 4.27Å; L186-E351 HydrophobicContact CG-CG 4.43Å; L186-F354 HydrophobicContact CD1-CD1 4.28Å; L186-F354 HydrophobicContact CD2-CB 4.27Å; L186-F354 HydrophobicContact CD2-CD1 3.37Å; L186-F354 HydrophobicContact CD2-CE1 3.98Å; L186-F354 HydrophobicContact CD2-CG 4.07Å; L186-F354 HydrophobicContact CG-CD1 4.25Å; L186-C355 WeakPolarHBondContact CD1-SG 3.29Å | ||
| 187 | E | 45.8 | Very low | 68.2 | Low | 32 Ų | 32 | 30.1 Ų | 30.1 | 15% | 0.15 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.6 | -33.5 | -172.7 | -89.6 | -173.3 | 106.1 | 0 | 0 | 114.2 | K189 Q190 F397 A569 | E187-K189 PolarHBondContact O-N 3.32Å; E187-K189 VanDerWaalsContact O-N 3.16Å; E187-Q190 WeakPolarHBondContact O-CB 3.39Å; E187-Q190 PolarHBondContact O-N 3.38Å; E187-F397 WeakPolarHBondContact OE1-CE1 3.46Å; E187-A569 WeakPolarHBondContact OE1-CB 3.31Å |
| 188 | K | 48.5 | Very low | 67.9 | Low | 16 Ų | 16 | 36 Ų | 36 | 7% | 0.07 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64 | -22.2 | 174.4 | -160.5 | 176 | -145.7 | 171 | 0 | 112.8 | R161 L186 E390 I402 | R161-K188 HydrophobicContact CB-CD 4.48Å; L186-K188 VanDerWaalsContact C-N 3.27Å; L186-K188 PolarHBondContact O-N 3.27Å; L186-K188 VanDerWaalsContact O-N 3.17Å; K188-E390 IonicContact NZ-OE1 3.66Å; K188-E390 PolarHBondContact NZ-OE1 2.78Å; K188-E390 IonicContact NZ-OE2 2.94Å; K188-E390 PolarHBondContact NZ-OE2 3.42Å; K188-I402 HydrophobicContact CD-CD1 3.98Å |
| 189 | K | 48.7 | Very low | 67.5 | Low | 1 Ų | 1 | 37.5 Ų | 37.5 | 0% | 0.004 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -71.7 | -36.6 | 174.9 | -51.7 | -155.3 | -170.7 | 179.9 | 0 | 111.7 | F148 L186 E187 R192 V193 F203 Y350 | F148-K189 PolarHBondContact O-NZ 2.95Å; L186-K189 HydrophobicContact CD2-CD 3.53Å; L186-K189 VanDerWaalsContact CD2-CE 3.46Å; L186-K189 HydrophobicContact CD2-CG 4.08Å; L186-K189 WeakPolarHBondContact O-CA 3.34Å; L186-K189 WeakPolarHBondContact O-CB 3.31Å; L186-K189 VanDerWaalsContact O-CG 3.31Å; L186-K189 WeakPolarHBondContact O-CG 3.11Å; L186-K189 PolarHBondContact O-N 3.4Å; E187-K189 PolarHBondContact O-N 3.32Å; E187-K189 VanDerWaalsContact O-N 3.16Å; K189-R192 PolarHBondContact O-N 2.82Å; K189-V193 WeakPolarHBondContact O-CG2 3.06Å; K189-V193 PolarHBondContact O-N 3.04Å; K189-F203 HydrophobicContact CB-CE2 3.89Å; K189-F203 HydrophobicContact CB-CZ 3.5Å; K189-F203 HydrophobicContact CD-CE1 4.06Å; K189-F203 HydrophobicContact CD-CZ 3.75Å; K189-F203 HydrophobicContact CG-CE1 4.19Å; K189-F203 HydrophobicContact CG-CE2 4.41Å; K189-F203 HydrophobicContact CG-CZ 3.57Å; K189-Y350 HydrophobicContact CD-CE1 4.12Å |
| 190 | Q | 49.3 | Very low | 67.2 | Low | 14 Ų | 14 | 37.9 Ų | 37.9 | 7% | 0.065 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.8 | -48.8 | -176.3 | -66.5 | -179.1 | -4.7 | 0 | 0 | 111.4 | E187 R192 K347 E351 D527 | E187-Q190 WeakPolarHBondContact O-CB 3.39Å; E187-Q190 PolarHBondContact O-N 3.38Å; Q190-R192 VanDerWaalsContact C-N 3.34Å; Q190-R192 PolarHBondContact O-N 2.84Å; Q190-K347 VanDerWaalsContact C-CE 3.47Å; Q190-K347 HydrophobicContact CB-CB 4.01Å; Q190-K347 HydrophobicContact CB-CD 3.86Å; Q190-K347 HydrophobicContact CB-CG 3.68Å; Q190-K347 HydrophobicContact CG-CB 4.06Å; Q190-K347 HydrophobicContact CG-CG 4.3Å; Q190-K347 WeakPolarHBondContact O-CE 3.44Å; Q190-K347 WeakPolarHBondContact O-CG 3.33Å; Q190-E351 PolarHBondContact NE2-OE2 3.42Å; Q190-D527 PolarHBondContact NE2-OD2 3.23Å; Q190-D527 PolarHBondContact OE1-OD1 3.41Å |
| 191 | S | 59.8 | Low | 67 | Low | 33 Ų | 33 | 35.2 Ų | 35.2 | 23% | 0.231 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.9 | -36.8 | 177.4 | 58.4 | 0 | 0 | 0 | 0 | 112.3 | V193 I194 F195 E398 | S191-V193 PolarHBondContact O-N 2.81Å; S191-I194 PolarHBondContact O-N 2.64Å; S191-F195 PolarHBondContact O-N 3Å; S191-E398 WeakPolarHBondContact CB-OE1 3.37Å; S191-E398 PolarHBondContact OG-OE1 3.3Å |
| 192 | R | 69.1 | Low | 66.9 | Low | 18 Ų | 18 | 35.1 Ų | 35.1 | 7% | 0.068 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.1 | -27.6 | -178.6 | -172 | 168 | -66.1 | -94.5 | -8.6 | 115.1 | K189 Q190 I194 F195 Q196 E200 R201 S202 F203 | K189-R192 PolarHBondContact O-N 2.82Å; Q190-R192 VanDerWaalsContact C-N 3.34Å; Q190-R192 PolarHBondContact O-N 2.84Å; R192-I194 PolarHBondContact O-N 3.46Å; R192-F195 WeakPolarHBondContact CA-O 3.47Å; R192-Q196 HydrophobicContact CG-CG 4.46Å; R192-Q196 PolarHBondContact O-NE2 3.38Å; R192-E200 IonicContact CZ-OE2 3.75Å; R192-E200 IonicContact NH1-OE1 3.57Å; R192-E200 IonicContact NH1-OE2 2.65Å; R192-E200 PolarHBondContact NH1-OE2 2.79Å; R192-E200 IonicContact NH2-OE1 2.97Å; R192-E200 IonicContact NH2-OE2 2.72Å; R192-E200 PolarHBondContact NH2-OE2 3.47Å; R192-R201 PolarHBondContact NH1-O 3.23Å; R192-S202 PolarHBondContact O-OG 2.58Å; R192-F203 HydrophobicContact CB-CE2 4.31Å; R192-F203 HydrophobicContact CB-CZ 4.49Å; R192-F203 HydrophobicContact CG-CE2 4.49Å |
| 193 | V | 72.3 | Confident | 67 | Low | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.7 | -36.9 | 173.9 | 170.4 | 0 | 0 | 0 | 0 | 110.3 | K189 S191 F203 Y232 I276 Y350 | K189-V193 WeakPolarHBondContact O-CG2 3.06Å; K189-V193 PolarHBondContact O-N 3.04Å; S191-V193 PolarHBondContact O-N 2.81Å; V193-F203 HydrophobicContact CG2-CD2 4.18Å; V193-F203 HydrophobicContact CG2-CE2 3.93Å; V193-Y232 WeakPolarHBondContact O-CB 3.39Å; V193-I276 HydrophobicContact CG1-CG2 3.82Å; V193-Y350 HydrophobicContact CG2-CD1 3.75Å; V193-Y350 HydrophobicContact CG2-CD2 4.27Å; V193-Y350 HydrophobicContact CG2-CE1 4.39Å; V193-Y350 HydrophobicContact CG2-CG 3.69Å |
| 194 | I | 73.8 | Confident | 67.4 | Low | 29 Ų | 29 | 31.8 Ų | 31.8 | 15% | 0.149 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -99.9 | -40.9 | -172.1 | -47.9 | -165 | 0 | 0 | 0 | 112.2 | S191 R192 Y232 D343 K347 | S191-I194 PolarHBondContact O-N 2.64Å; R192-I194 PolarHBondContact O-N 3.46Å; I194-Y232 HydrophobicContact CB-CE1 4.28Å; I194-Y232 HydrophobicContact CG2-CD1 4.12Å; I194-Y232 HydrophobicContact CG2-CE1 3.63Å; I194-D343 VanDerWaalsContact CD1-CA 3.47Å; I194-D343 HydrophobicContact CD1-CB 3.24Å; I194-D343 VanDerWaalsContact CD1-O 3.28Å; I194-D343 WeakPolarHBondContact CD1-O 3.48Å; I194-K347 HydrophobicContact CD1-CD 3.61Å; I194-K347 HydrophobicContact CD1-CG 3.7Å; I194-K347 HydrophobicContact CG1-CD 4.31Å; I194-K347 HydrophobicContact CG1-CG 4Å |
| 195 | F | 72.5 | Confident | 68.1 | Low | 137 Ų | 137 | 31.1 Ų | 31.1 | 60% | 0.601 | 16% | 0.157 | S | C | * | . | trans | -127.2 | 133.5 | -169.3 | -178.6 | -97.8 | 0 | 0 | 0 | 111.5 | S191 R192 Q197 | S191-F195 PolarHBondContact O-N 3Å; R192-F195 WeakPolarHBondContact CA-O 3.47Å; F195-Q197 HydrophobicContact CE1-CG 4.22Å | ||
| 196 | Q | 71.2 | Confident | 69.3 | Low | 12 Ų | 12 | 30.1 Ų | 30.1 | 6% | 0.056 | 15% | 0.152 | C | C | . | . | trans | -130 | 143.7 | 172.7 | -53.2 | 86.5 | 31.6 | 0 | 0 | 110.2 | R192 Y232 | R192-Q196 HydrophobicContact CG-CG 4.46Å; R192-Q196 PolarHBondContact O-NE2 3.38Å; Q196-Y232 VanDerWaalsContact CD-O 3.29Å; Q196-Y232 PolarHBondContact NE2-O 3.25Å; Q196-Y232 PolarHBondContact OE1-O 3.2Å; Q196-Y232 VanDerWaalsContact OE1-O 3.07Å | ||
| 197 | Q | 67.9 | Low | 70.9 | Confident | 89 Ų | 89 | 29.4 Ų | 29.4 | 42% | 0.416 | 15% | 0.148 | S | C | . | . | trans | -73.5 | 156.7 | 170.8 | -69 | -178.8 | -17.4 | 0 | 0 | 110.6 | F195 G199 E200 | F195-Q197 HydrophobicContact CE1-CG 4.22Å; Q197-G199 PolarHBondContact O-N 3.32Å; Q197-E200 HydrophobicContact CB-CG 4.16Å; Q197-E200 WeakPolarHBondContact O-CB 3.4Å; Q197-E200 PolarHBondContact O-N 2.97Å | ||
| 198 | E | 68.2 | Low | 72.9 | Confident | 171 Ų | 171 | 28.5 Ų | 28.5 | 80% | 0.799 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 130.9 | 174 | -69 | -174.8 | 170 | 0 | 0 | 111.1 | N154 E200 | N154-E198 PolarHBondContact ND2-O 3.2Å; N154-E198 PolarHBondContact OD1-O 3.4Å; E198-E200 VanDerWaalsContact C-N 3.34Å |
| 199 | G | 70.5 | Confident | 74.7 | Confident | 32 Ų | 32 | 27.8 Ų | 27.8 | 33% | 0.33 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | -8.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | N154 Q197 I239 | N154-G199 WeakPolarHBondContact OD1-CA 3.44Å; N154-G199 PolarHBondContact OD1-O 2.74Å; N154-G199 VanDerWaalsContact OD1-O 3.08Å; Q197-G199 PolarHBondContact O-N 3.32Å; G199-I239 WeakPolarHBondContact O-CD1 3.46Å |
| 200 | E | 74.4 | Confident | 76.5 | Confident | 9 Ų | 9 | 27.7 Ų | 27.7 | 4% | 0.042 | 14% | 0.14 | C | C | . | . | trans | -98 | 161.7 | 176.7 | -55.8 | -159.8 | 132.1 | 0 | 0 | 113.4 | T153 R192 Q197 E198 G236 I239 | T153-E200 WeakPolarHBondContact CA-OE1 3.42Å; T153-E200 WeakPolarHBondContact CB-OE1 3.32Å; T153-E200 WeakPolarHBondContact CG2-OE1 3.35Å; R192-E200 IonicContact CZ-OE2 3.75Å; R192-E200 IonicContact NH1-OE1 3.57Å; R192-E200 IonicContact NH1-OE2 2.65Å; R192-E200 PolarHBondContact NH1-OE2 2.79Å; R192-E200 IonicContact NH2-OE1 2.97Å; R192-E200 IonicContact NH2-OE2 2.72Å; R192-E200 PolarHBondContact NH2-OE2 3.47Å; Q197-E200 HydrophobicContact CB-CG 4.16Å; Q197-E200 WeakPolarHBondContact O-CB 3.4Å; Q197-E200 PolarHBondContact O-N 2.97Å; E198-E200 VanDerWaalsContact C-N 3.34Å; E200-G236 WeakPolarHBondContact O-CA 3.43Å; E200-I239 WeakPolarHBondContact O-CD1 3.31Å | ||
| 201 | R | 79.5 | Confident | 78 | Confident | 4 Ų | 4 | 31.6 Ų | 31.6 | 2% | 0.015 | 16% | 0.157 | C | C | . | . | trans | -113.8 | 161.8 | 170.2 | -63.6 | -176.9 | 170 | -177.4 | -6.6 | 111.5 | K152 R192 Y207 I239 D245 | K152-R201 HydrophobicContact CB-CB 3.98Å; K152-R201 HydrophobicContact CB-CG 4.06Å; K152-R201 HydrophobicContact CD-CG 4.28Å; K152-R201 PolarHBondContact O-N 3.1Å; R192-R201 PolarHBondContact NH1-O 3.23Å; R201-Y207 HydrophobicContact CB-CE2 3.84Å; R201-Y207 HydrophobicContact CG-CE2 4.47Å; R201-I239 HydrophobicContact CG-CD1 4.37Å; R201-I239 PolarHBondContact NH2-O 3.33Å; R201-D245 IonicContact NH1-OD2 3.17Å | ||
| 202 | S | 82.8 | Confident | 79 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -72.2 | -172.7 | 162.4 | -163.4 | 0 | 0 | 0 | 0 | 110.6 | R192 Y207 | R192-S202 PolarHBondContact O-OG 2.58Å; S202-Y207 PolarHBondContact N-OH 3.49Å | ||
| 203 | F | 85.6 | Confident | 79.5 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.151 | C | C | . | . | B | Isolated β-bridge | trans | -60 | 145.6 | -179.8 | -67.5 | -72.9 | 0 | 0 | 0 | 113.1 | F148 N150 K189 R192 V193 S205 F206 Y207 Y350 | F148-F203 WeakPolarHBondContact O-CD1 3.12Å; N150-F203 WeakPolarHBondContact O-CA 3.48Å; N150-F203 WeakPolarHBondContact O-CD1 3.45Å; K189-F203 HydrophobicContact CB-CE2 3.89Å; K189-F203 HydrophobicContact CB-CZ 3.5Å; K189-F203 HydrophobicContact CD-CE1 4.06Å; K189-F203 HydrophobicContact CD-CZ 3.75Å; K189-F203 HydrophobicContact CG-CE1 4.19Å; K189-F203 HydrophobicContact CG-CE2 4.41Å; K189-F203 HydrophobicContact CG-CZ 3.57Å; R192-F203 HydrophobicContact CB-CE2 4.31Å; R192-F203 HydrophobicContact CB-CZ 4.49Å; R192-F203 HydrophobicContact CG-CE2 4.49Å; V193-F203 HydrophobicContact CG2-CD2 4.18Å; V193-F203 HydrophobicContact CG2-CE2 3.93Å; F203-S205 PolarHBondContact O-N 2.82Å; F203-F206 HydrophobicContact CB-CD2 4.12Å; F203-F206 HydrophobicContact CB-CE2 4.31Å; F203-F206 HydrophobicContact CD2-CE2 4.36Å; F203-F206 PolarHBondContact O-N 2.85Å; F203-Y207 VanDerWaalsContact O-CD2 3.24Å; F203-Y207 WeakPolarHBondContact O-CD2 3.39Å; F203-Y350 VanDerWaalsContact CB-OH 3.27Å; F203-Y350 WeakPolarHBondContact CB-OH 3.36Å; F203-Y350 HydrophobicContact CD2-CD1 4.4Å; F203-Y350 AromaticContact CD2-CE1 3.59Å; F203-Y350 HydrophobicContact CD2-CE1 3.59Å; F203-Y350 HydrophobicContact CD2-CE2 4.31Å; F203-Y350 AromaticContact CD2-CZ 3.54Å; F203-Y350 WeakPolarHBondContact CD2-OH 3.43Å; F203-Y350 HydrophobicContact CE2-CD1 4.27Å; F203-Y350 AromaticContact CE2-CE1 3.66Å; F203-Y350 HydrophobicContact CE2-CE1 3.66Å; F203-Y350 HydrophobicContact CG-CE1 4.07Å; F203-Y350 AromaticContact CG-CZ 3.74Å; F203-Y350 WeakPolarHBondContact CG-OH 3.47Å; F203-Y350 HydrophobicContact CZ-CE1 4.19Å |
| 204 | H | 86.8 | Confident | 80.1 | Confident | 10 Ų | 10 | 33.1 Ų | 33.1 | 5% | 0.046 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60 | -32.1 | -179.1 | -62.9 | -51.8 | 0 | 0 | 0 | 112.8 | N150 D157 N158 F206 Y207 Q208 | N150-H204 PolarHBondContact O-CD2 3.39Å; N150-H204 VanDerWaalsContact O-CD2 3.27Å; N150-H204 PolarHBondContact O-N 3.18Å; D157-H204 PolarHBondContact O-CE1 3.32Å; D157-H204 PolarHBondContact O-NE2 3.01Å; N158-H204 PolarHBondContact OD1-NE2 3.06Å; H204-F206 VanDerWaalsContact C-N 3.27Å; H204-F206 PolarHBondContact O-N 3.13Å; H204-Y207 PolarHBondContact O-N 3.07Å; H204-Y207 VanDerWaalsContact O-N 3.1Å; H204-Q208 HydrophobicContact CB-CG 4.5Å; H204-Q208 VanDerWaalsContact O-CB 3.32Å; H204-Q208 WeakPolarHBondContact O-CB 3.17Å; H204-Q208 VanDerWaalsContact O-CG 3.23Å; H204-Q208 WeakPolarHBondContact O-CG 3.49Å; H204-Q208 PolarHBondContact O-N 3.5Å |
| 205 | S | 88.5 | Confident | 80.5 | Confident | 6 Ų | 6 | 35.9 Ų | 35.9 | 4% | 0.042 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -50.3 | -41.8 | 178 | 55.8 | 0 | 0 | 0 | 0 | 113.6 | A147 F203 L209 Y350 | A147-S205 WeakPolarHBondContact O-CB 3.08Å; A147-S205 PolarHBondContact O-N 2.93Å; F203-S205 PolarHBondContact O-N 2.82Å; S205-L209 WeakPolarHBondContact O-CB 3.2Å; S205-L209 PolarHBondContact O-N 3.47Å; S205-Y350 PolarHBondContact OG-OH 3.19Å |
| 206 | F | 88 | Confident | 81 | Confident | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.009 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.4 | -47.4 | 177.9 | -64.5 | -67.4 | 0 | 0 | 0 | 112 | F203 H204 L209 L210 I233 L273 I276 L277 Y350 | F203-F206 HydrophobicContact CB-CD2 4.12Å; F203-F206 HydrophobicContact CB-CE2 4.31Å; F203-F206 HydrophobicContact CD2-CE2 4.36Å; F203-F206 PolarHBondContact O-N 2.85Å; H204-F206 VanDerWaalsContact C-N 3.27Å; H204-F206 PolarHBondContact O-N 3.13Å; F206-L209 PolarHBondContact O-N 2.99Å; F206-L210 WeakPolarHBondContact O-CD1 3.2Å; F206-L210 VanDerWaalsContact O-CG 3.24Å; F206-L210 WeakPolarHBondContact O-CG 3.38Å; F206-L210 PolarHBondContact O-N 3.18Å; F206-I233 HydrophobicContact CB-CG2 4.28Å; F206-I233 HydrophobicContact CG-CG2 4.47Å; F206-L273 HydrophobicContact CD1-CD2 4.31Å; F206-L273 HydrophobicContact CE1-CB 4.39Å; F206-L273 HydrophobicContact CE1-CD2 3.82Å; F206-L273 HydrophobicContact CZ-CD2 4.15Å; F206-I276 HydrophobicContact CE1-CB 4.29Å; F206-I276 HydrophobicContact CE1-CG2 4.03Å; F206-I276 HydrophobicContact CZ-CB 4.49Å; F206-I276 HydrophobicContact CZ-CG2 3.86Å; F206-L277 HydrophobicContact CD1-CD1 4.04Å; F206-L277 HydrophobicContact CD1-CD2 3.63Å; F206-L277 HydrophobicContact CD1-CG 3.72Å; F206-L277 HydrophobicContact CE1-CD2 4.08Å; F206-L277 HydrophobicContact CE1-CG 4.05Å; F206-L277 HydrophobicContact CG-CD2 4.21Å; F206-Y350 HydrophobicContact CE2-CD2 4.24Å; F206-Y350 AromaticContact CE2-CE2 3.86Å; F206-Y350 HydrophobicContact CE2-CE2 3.86Å; F206-Y350 AromaticContact CZ-CD2 3.83Å; F206-Y350 HydrophobicContact CZ-CD2 3.83Å; F206-Y350 AromaticContact CZ-CE2 3.82Å; F206-Y350 HydrophobicContact CZ-CE2 3.82Å |
| 207 | Y | 86.7 | Confident | 81.6 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -70.4 | -37.4 | -179 | -58.3 | -85.9 | 0 | 0 | 0 | 112.3 | R201 S202 F203 H204 L209 L210 K211 G236 | R201-Y207 HydrophobicContact CB-CE2 3.84Å; R201-Y207 HydrophobicContact CG-CE2 4.47Å; S202-Y207 PolarHBondContact N-OH 3.49Å; F203-Y207 VanDerWaalsContact O-CD2 3.24Å; F203-Y207 WeakPolarHBondContact O-CD2 3.39Å; H204-Y207 PolarHBondContact O-N 3.07Å; H204-Y207 VanDerWaalsContact O-N 3.1Å; Y207-L209 VanDerWaalsContact C-N 3.35Å; Y207-L210 PolarHBondContact O-N 3.28Å; Y207-K211 PolarHBondContact O-N 2.65Å; Y207-G236 WeakPolarHBondContact OH-CA 3.4Å |
| 208 | Q | 87.4 | Confident | 82.3 | Confident | 13 Ų | 13 | 30.3 Ų | 30.3 | 6% | 0.061 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.3 | -42.4 | 174.2 | -73.3 | 172.6 | -0.4 | 0 | 0 | 110.8 | H204 G212 D248 F249 | H204-Q208 HydrophobicContact CB-CG 4.5Å; H204-Q208 VanDerWaalsContact O-CB 3.32Å; H204-Q208 WeakPolarHBondContact O-CB 3.17Å; H204-Q208 VanDerWaalsContact O-CG 3.23Å; H204-Q208 WeakPolarHBondContact O-CG 3.49Å; H204-Q208 PolarHBondContact O-N 3.5Å; Q208-G212 WeakPolarHBondContact O-CA 3.36Å; Q208-G212 PolarHBondContact O-N 2.83Å; Q208-D248 HydrophobicContact CG-CB 4.21Å; Q208-F249 HydrophobicContact CB-CB 4.06Å; Q208-F249 HydrophobicContact CB-CD2 4.16Å; Q208-F249 VanDerWaalsContact O-CD2 3.32Å; Q208-F249 WeakPolarHBondContact O-CD2 3.48Å |
| 209 | L | 86.8 | Confident | 83 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.9 | -46.9 | 175.5 | -176.7 | 62.5 | 0 | 0 | 0 | 111.7 | S205 F206 Y207 G213 L217 L221 I223 F249 Y270 L273 | S205-L209 WeakPolarHBondContact O-CB 3.2Å; S205-L209 PolarHBondContact O-N 3.47Å; F206-L209 PolarHBondContact O-N 2.99Å; Y207-L209 VanDerWaalsContact C-N 3.35Å; L209-G213 WeakPolarHBondContact O-CA 3.49Å; L209-G213 PolarHBondContact O-N 3.33Å; L209-L217 HydrophobicContact CD1-CD2 4.2Å; L209-L221 HydrophobicContact CD1-CD1 4.26Å; L209-L221 HydrophobicContact CD2-CD1 4.43Å; L209-I223 HydrophobicContact CD2-CD1 3.91Å; L209-I223 HydrophobicContact CG-CD1 4.46Å; L209-F249 HydrophobicContact CD1-CE2 4.13Å; L209-Y270 HydrophobicContact CD1-CD1 3.83Å; L209-Y270 HydrophobicContact CD1-CE1 4.36Å; L209-Y270 HydrophobicContact CD1-CG 4.02Å; L209-L273 HydrophobicContact CD2-CB 3.97Å; L209-L273 HydrophobicContact CD2-CD1 4.4Å |
| 210 | L | 85 | Confident | 83.7 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.8 | -44.8 | -177 | -71.7 | 161.8 | 0 | 0 | 0 | 113.6 | F206 Y207 I223 Q224 P227 Y230 I233 | F206-L210 WeakPolarHBondContact O-CD1 3.2Å; F206-L210 VanDerWaalsContact O-CG 3.24Å; F206-L210 WeakPolarHBondContact O-CG 3.38Å; F206-L210 PolarHBondContact O-N 3.18Å; Y207-L210 PolarHBondContact O-N 3.28Å; L210-I223 HydrophobicContact CD2-CG2 3.24Å; L210-I223 HydrophobicContact CG-CG2 4.43Å; L210-Q224 WeakPolarHBondContact CD2-O 3.33Å; L210-P227 HydrophobicContact CD1-CB 4.35Å; L210-P227 HydrophobicContact CD1-CG 4.43Å; L210-Y230 HydrophobicContact CD2-CD2 4.4Å; L210-Y230 HydrophobicContact CD2-CE2 3.88Å; L210-I233 HydrophobicContact CD1-CD1 3.21Å |
| 211 | K | 82.3 | Confident | 84 | Confident | 95 Ų | 95 | 33 Ų | 33 | 41% | 0.413 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -94.7 | -27.2 | -175.2 | -67.6 | -178.6 | -177.9 | 171.1 | 0 | 113.9 | Y207 D245 | Y207-K211 PolarHBondContact O-N 2.65Å; K211-D245 HydrophobicContact CB-CB 4.25Å; K211-D245 HydrophobicContact CD-CB 3.99Å; K211-D245 WeakPolarHBondContact CD-OD2 3.4Å; K211-D245 IonicContact NZ-OD2 3.87Å; K211-D245 PolarHBondContact NZ-OD2 2.92Å |
| 212 | G | 79.4 | Confident | 84.2 | Confident | 12 Ų | 12 | 36.7 Ų | 36.7 | 12% | 0.124 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -98.6 | -19 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q208 F249 | Q208-G212 WeakPolarHBondContact O-CA 3.36Å; Q208-G212 PolarHBondContact O-N 2.83Å; G212-F249 VanDerWaalsContact C-CD1 3.47Å; G212-F249 WeakPolarHBondContact O-CD1 3.18Å |
| 213 | G | 80.9 | Confident | 84.2 | Confident | 6 Ų | 6 | 37.3 Ų | 37.3 | 6% | 0.062 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -65.4 | 137.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L209 | L209-G213 WeakPolarHBondContact O-CA 3.49Å; L209-G213 PolarHBondContact O-N 3.33Å |
| 214 | P | 83.2 | Confident | 84 | Confident | 67 Ų | 67 | 43.3 Ų | 43.3 | 44% | 0.435 | 23% | 0.225 | S | C | . | . | trans | -65.5 | 148.5 | 172 | 27.1 | -31.7 | 0 | 0 | 0 | 110.5 | S216 L217 L218 | P214-S216 PolarHBondContact O-N 3.4Å; P214-S216 VanDerWaalsContact O-N 3.13Å; P214-L217 HydrophobicContact CG-CB 3.75Å; P214-L217 WeakPolarHBondContact O-CB 3.12Å; P214-L217 PolarHBondContact O-N 3.47Å; P214-L218 PolarHBondContact O-N 3.45Å | ||
| 215 | D | 82.4 | Confident | 83.7 | Confident | 86 Ų | 86 | 48 Ų | 48 | 46% | 0.46 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.8 | -30.8 | -175.2 | -69.9 | -37.4 | 0 | 0 | 0 | 113.3 | R219 K225 | D215-R219 WeakPolarHBondContact O-CB 3.42Å; D215-R219 VanDerWaalsContact O-CG 3.26Å; D215-R219 WeakPolarHBondContact O-CG 3.46Å; D215-R219 PolarHBondContact O-N 2.57Å; D215-K225 WeakPolarHBondContact OD1-CE 3.49Å; D215-K225 IonicContact OD1-NZ 2.69Å; D215-K225 PolarHBondContact OD1-NZ 3.14Å; D215-K225 IonicContact OD2-NZ 3.52Å |
| 216 | S | 83.6 | Confident | 83.2 | Confident | 88 Ų | 88 | 51.6 Ų | 51.6 | 62% | 0.615 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -63.5 | -43.2 | 173.7 | 52.7 | 0 | 0 | 0 | 0 | 112.6 | P214 S220 | P214-S216 PolarHBondContact O-N 3.4Å; P214-S216 VanDerWaalsContact O-N 3.13Å; S216-S220 PolarHBondContact O-N 3.31Å; S216-S220 VanDerWaalsContact O-N 3.16Å |
| 217 | L | 83 | Confident | 82.7 | Confident | 28 Ų | 28 | 52.1 Ų | 52.1 | 15% | 0.147 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68 | -45.4 | 177.5 | -178.9 | 67.8 | 0 | 0 | 0 | 110.5 | L209 P214 R219 S220 L221 F249 Y270 | L209-L217 HydrophobicContact CD1-CD2 4.2Å; P214-L217 HydrophobicContact CG-CB 3.75Å; P214-L217 WeakPolarHBondContact O-CB 3.12Å; P214-L217 PolarHBondContact O-N 3.47Å; L217-R219 VanDerWaalsContact C-N 3.32Å; L217-R219 PolarHBondContact O-N 2.78Å; L217-S220 PolarHBondContact O-N 2.77Å; L217-S220 VanDerWaalsContact O-N 3.14Å; L217-S220 PolarHBondContact O-OG 2.88Å; L217-L221 HydrophobicContact CD1-CD1 4.06Å; L217-L221 HydrophobicContact CD1-CG 4.4Å; L217-L221 HydrophobicContact CG-CD1 3.89Å; L217-L221 WeakPolarHBondContact O-CG 3.3Å; L217-L221 PolarHBondContact O-N 3.22Å; L217-F249 HydrophobicContact CD2-CZ 4.4Å; L217-Y270 HydrophobicContact CD1-CD2 4.39Å; L217-Y270 HydrophobicContact CD2-CD2 3.82Å; L217-Y270 HydrophobicContact CD2-CE2 4.13Å; L217-Y270 HydrophobicContact CD2-CG 4.47Å |
| 218 | L | 83.4 | Confident | 82.2 | Confident | 6 Ų | 6 | 54.7 Ų | 54.7 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.6 | -40.5 | 179.4 | -67.6 | 174.5 | 0 | 0 | 0 | 112.3 | P214 L221 H222 I223 K225 | P214-L218 PolarHBondContact O-N 3.45Å; L218-L221 PolarHBondContact O-N 2.91Å; L218-H222 PolarHBondContact O-N 3.03Å; L218-H222 VanDerWaalsContact O-N 3.13Å; L218-I223 HydrophobicContact CD2-CB 4.1Å; L218-I223 HydrophobicContact CD2-CG2 3.87Å; L218-I223 PolarHBondContact O-N 3.26Å; L218-K225 HydrophobicContact CD1-CD 4.26Å; L218-K225 HydrophobicContact CD1-CG 3.67Å |
| 219 | R | 83.8 | Confident | 81.9 | Confident | 197 Ų | 197 | 55.9 Ų | 55.9 | 74% | 0.743 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -61.2 | -45.1 | 173.2 | -74.1 | 176.2 | -167.7 | 176 | 4.4 | 111.9 | D215 L217 L221 H222 | D215-R219 WeakPolarHBondContact O-CB 3.42Å; D215-R219 VanDerWaalsContact O-CG 3.26Å; D215-R219 WeakPolarHBondContact O-CG 3.46Å; D215-R219 PolarHBondContact O-N 2.57Å; L217-R219 VanDerWaalsContact C-N 3.32Å; L217-R219 PolarHBondContact O-N 2.78Å; R219-L221 PolarHBondContact O-N 2.91Å; R219-H222 PolarHBondContact O-N 3.24Å; R219-H222 VanDerWaalsContact O-N 3.14Å |
| 220 | S | 83.4 | Confident | 81.7 | Confident | 68 Ų | 68 | 56.1 Ų | 56.1 | 48% | 0.476 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.4 | -24.7 | 177.9 | 74.2 | 0 | 0 | 0 | 0 | 113.7 | S216 L217 | S216-S220 PolarHBondContact O-N 3.31Å; S216-S220 VanDerWaalsContact O-N 3.16Å; L217-S220 PolarHBondContact O-N 2.77Å; L217-S220 VanDerWaalsContact O-N 3.14Å; L217-S220 PolarHBondContact O-OG 2.88Å |
| 221 | L | 82.5 | Confident | 81.6 | Confident | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -0.5 | 179.8 | -63.7 | 174.5 | 0 | 0 | 0 | 113 | L209 L217 L218 R219 I223 K271 A274 H278 L305 | L209-L221 HydrophobicContact CD1-CD1 4.26Å; L209-L221 HydrophobicContact CD2-CD1 4.43Å; L217-L221 HydrophobicContact CD1-CD1 4.06Å; L217-L221 HydrophobicContact CD1-CG 4.4Å; L217-L221 HydrophobicContact CG-CD1 3.89Å; L217-L221 WeakPolarHBondContact O-CG 3.3Å; L217-L221 PolarHBondContact O-N 3.22Å; L218-L221 PolarHBondContact O-N 2.91Å; R219-L221 PolarHBondContact O-N 2.91Å; L221-I223 HydrophobicContact CB-CB 4.41Å; L221-I223 HydrophobicContact CB-CD1 3.86Å; L221-I223 HydrophobicContact CB-CG1 3.86Å; L221-I223 HydrophobicContact CD1-CD1 4.17Å; L221-I223 PolarHBondContact O-N 3.15Å; L221-K271 HydrophobicContact CD2-CB 4.35Å; L221-K271 HydrophobicContact CD2-CG 3.74Å; L221-A274 HydrophobicContact CB-CB 3.97Å; L221-A274 HydrophobicContact CD1-CB 4.45Å; L221-A274 HydrophobicContact CD2-CB 3.96Å; L221-A274 HydrophobicContact CG-CB 4.35Å; L221-H278 PolarHBondContact O-NE2 3.11Å; L221-L305 HydrophobicContact CD2-CD2 4.05Å |
| 222 | H | 83.1 | Confident | 81.5 | Confident | 83 Ų | 83 | 55.9 Ų | 55.9 | 38% | 0.384 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 34.5 | -172.1 | -62.6 | 88.9 | 0 | 0 | 0 | 113 | L218 R219 H278 V301 E304 | L218-H222 PolarHBondContact O-N 3.03Å; L218-H222 VanDerWaalsContact O-N 3.13Å; R219-H222 PolarHBondContact O-N 3.24Å; R219-H222 VanDerWaalsContact O-N 3.14Å; H222-H278 PolarHBondContact O-CE1 3.46Å; H222-H278 PolarHBondContact O-NE2 3.47Å; H222-V301 HydrophobicContact CB-CG1 3.73Å; H222-E304 IonicContact CE1-OE1 3.04Å; H222-E304 IonicContact CE1-OE2 3.71Å; H222-E304 PolarHBondContact CE1-OE2 2.87Å; H222-E304 IonicContact ND1-OE2 2.64Å; H222-E304 IonicContact NE2-OE2 3.8Å |
| 223 | I | 82.9 | Confident | 81.5 | Confident | 13 Ų | 13 | 55.3 Ų | 55.3 | 7% | 0.067 | 29% | 0.293 | C | S | . | . | trans | -98.3 | 134.8 | -176.3 | -69.5 | 178.4 | 0 | 0 | 0 | 111.7 | L209 L210 L218 L221 Y230 A274 L277 | L209-I223 HydrophobicContact CD2-CD1 3.91Å; L209-I223 HydrophobicContact CG-CD1 4.46Å; L210-I223 HydrophobicContact CD2-CG2 3.24Å; L210-I223 HydrophobicContact CG-CG2 4.43Å; L218-I223 HydrophobicContact CD2-CB 4.1Å; L218-I223 HydrophobicContact CD2-CG2 3.87Å; L218-I223 PolarHBondContact O-N 3.26Å; L221-I223 HydrophobicContact CB-CB 4.41Å; L221-I223 HydrophobicContact CB-CD1 3.86Å; L221-I223 HydrophobicContact CB-CG1 3.86Å; L221-I223 HydrophobicContact CD1-CD1 4.17Å; L221-I223 PolarHBondContact O-N 3.15Å; I223-Y230 VanDerWaalsContact CA-OH 3.24Å; I223-Y230 WeakPolarHBondContact CA-OH 3.32Å; I223-Y230 HydrophobicContact CG2-CE2 4.35Å; I223-A274 HydrophobicContact CD1-CB 3.61Å; I223-A274 HydrophobicContact CG1-CB 4.15Å; I223-L277 HydrophobicContact CD1-CD1 4.33Å | ||
| 224 | Q | 81.1 | Confident | 81.3 | Confident | 125 Ų | 125 | 59.8 Ų | 59.8 | 58% | 0.584 | 31% | 0.311 | S | S | * | . | trans | -88.7 | 144.3 | 168.9 | -64.2 | -173.7 | -2.7 | 0 | 0 | 111.1 | L210 D226 Y230 | L210-Q224 WeakPolarHBondContact CD2-O 3.33Å; Q224-D226 PolarHBondContact O-N 3.46Å; Q224-Y230 PolarHBondContact N-OH 3.08Å | ||
| 225 | K | 80.4 | Confident | 80.6 | Confident | 108 Ų | 108 | 59.4 Ų | 59.4 | 47% | 0.47 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -67.7 | -22.3 | 179.6 | -74.1 | -172.5 | 178.3 | 172.6 | 0 | 114 | D215 L218 P227 | D215-K225 WeakPolarHBondContact OD1-CE 3.49Å; D215-K225 IonicContact OD1-NZ 2.69Å; D215-K225 PolarHBondContact OD1-NZ 3.14Å; D215-K225 IonicContact OD2-NZ 3.52Å; L218-K225 HydrophobicContact CD1-CD 4.26Å; L218-K225 HydrophobicContact CD1-CG 3.67Å; K225-P227 VanDerWaalsContact O-CD 3.29Å; K225-P227 WeakPolarHBondContact O-CD 3.22Å |
| 226 | D | 78.8 | Confident | 79.5 | Confident | 83 Ų | 83 | 55.3 Ų | 55.3 | 44% | 0.444 | 29% | 0.285 | S | S | . | . | trans | -79.2 | 116.2 | -179 | -170.4 | -5.2 | 0 | 0 | 0 | 110.9 | Q224 T228 A229 | Q224-D226 PolarHBondContact O-N 3.46Å; D226-T228 PolarHBondContact O-N 3.02Å; D226-T228 WeakPolarHBondContact OD1-CG2 3.44Å; D226-T228 PolarHBondContact OD1-N 3.23Å; D226-T228 PolarHBondContact OD1-OG1 3.34Å; D226-T228 VanDerWaalsContact OD1-OG1 3.07Å; D226-T228 PolarHBondContact OD2-OG1 3.48Å; D226-A229 PolarHBondContact O-N 2.94Å | ||
| 227 | P | 75.5 | Confident | 78.3 | Confident | 13 Ų | 13 | 52.2 Ų | 52.2 | 8% | 0.084 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -64.1 | -19 | 177.4 | -20.5 | 34.3 | 0 | 0 | 0 | 113.8 | L210 K225 A229 Y230 I233 | L210-P227 HydrophobicContact CD1-CB 4.35Å; L210-P227 HydrophobicContact CD1-CG 4.43Å; K225-P227 VanDerWaalsContact O-CD 3.29Å; K225-P227 WeakPolarHBondContact O-CD 3.22Å; P227-A229 PolarHBondContact O-N 3.32Å; P227-Y230 PolarHBondContact O-N 3.43Å; P227-I233 HydrophobicContact CB-CD1 4.11Å |
| 228 | T | 77.8 | Confident | 77.1 | Confident | 54 Ų | 54 | 57.8 Ų | 57.8 | 33% | 0.331 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -71.5 | -16.5 | -178.3 | 69.2 | 0 | 0 | 0 | 0 | 113.7 | D226 Y230 Q238 | D226-T228 PolarHBondContact O-N 3.02Å; D226-T228 WeakPolarHBondContact OD1-CG2 3.44Å; D226-T228 PolarHBondContact OD1-N 3.23Å; D226-T228 PolarHBondContact OD1-OG1 3.34Å; D226-T228 VanDerWaalsContact OD1-OG1 3.07Å; D226-T228 PolarHBondContact OD2-OG1 3.48Å; T228-Y230 PolarHBondContact O-N 3.38Å; T228-Q238 HydrophobicContact CG2-CG 4.41Å |
| 229 | A | 79.8 | Confident | 76.1 | Confident | 38 Ų | 38 | 59.2 Ų | 59.2 | 31% | 0.314 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -72.7 | -8.8 | 179 | 0 | 0 | 0 | 0 | 0 | 114.2 | D226 P227 N281 | D226-A229 PolarHBondContact O-N 2.94Å; P227-A229 PolarHBondContact O-N 3.32Å; A229-N281 PolarHBondContact O-ND2 3.43Å |
| 230 | Y | 82.7 | Confident | 74.8 | Confident | 6 Ų | 6 | 59.8 Ų | 59.8 | 2% | 0.024 | 31% | 0.308 | C | S | . | . | trans | -121.5 | 120 | -173.4 | -62.9 | -76.5 | 0 | 0 | 0 | 111.7 | L210 I223 Q224 P227 T228 Y232 I233 K234 L277 H278 N281 | L210-Y230 HydrophobicContact CD2-CD2 4.4Å; L210-Y230 HydrophobicContact CD2-CE2 3.88Å; I223-Y230 VanDerWaalsContact CA-OH 3.24Å; I223-Y230 WeakPolarHBondContact CA-OH 3.32Å; I223-Y230 HydrophobicContact CG2-CE2 4.35Å; Q224-Y230 PolarHBondContact N-OH 3.08Å; P227-Y230 PolarHBondContact O-N 3.43Å; T228-Y230 PolarHBondContact O-N 3.38Å; Y230-Y232 VanDerWaalsContact C-N 3.28Å; Y230-Y232 PolarHBondContact O-N 3.13Å; Y230-I233 VanDerWaalsContact CB-CG1 3.48Å; Y230-I233 HydrophobicContact CD2-CD1 3.98Å; Y230-I233 HydrophobicContact CD2-CG1 4.48Å; Y230-I233 HydrophobicContact CG-CD1 4.27Å; Y230-I233 HydrophobicContact CG-CG1 4.38Å; Y230-I233 PolarHBondContact O-N 3.21Å; Y230-K234 WeakPolarHBondContact O-CB 3.48Å; Y230-K234 PolarHBondContact O-N 3.39Å; Y230-L277 HydrophobicContact CD1-CB 3.77Å; Y230-L277 HydrophobicContact CE1-CB 3.97Å; Y230-L277 HydrophobicContact CG-CB 4.31Å; Y230-L277 HydrophobicContact CG-CD2 4.44Å; Y230-H278 AromaticContact CE1-ND1 3.94Å; Y230-N281 WeakPolarHBondContact CA-OD1 3.29Å; Y230-N281 WeakPolarHBondContact CD1-ND2 3.04Å | ||
| 231 | N | 82.6 | Confident | 73.6 | Confident | 83 Ų | 83 | 58 Ų | 58 | 44% | 0.444 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -41.4 | -175.3 | -76.6 | -22.3 | 0 | 0 | 0 | 113.1 | I233 G280 N281 | N231-I233 PolarHBondContact O-N 3.32Å; N231-G280 WeakPolarHBondContact CB-O 3.5Å; N231-G280 PolarHBondContact ND2-O 3.36Å; N231-G280 VanDerWaalsContact ND2-O 3.07Å; N231-N281 PolarHBondContact N-OD1 2.99Å |
| 232 | Y | 81.9 | Confident | 72.6 | Confident | 8 Ų | 8 | 62.2 Ų | 62.2 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -13.7 | -179.2 | -70 | -15.6 | 0 | 0 | 0 | 115.1 | V193 I194 Q196 Y230 I276 D343 A346 | V193-Y232 WeakPolarHBondContact O-CB 3.39Å; I194-Y232 HydrophobicContact CB-CE1 4.28Å; I194-Y232 HydrophobicContact CG2-CD1 4.12Å; I194-Y232 HydrophobicContact CG2-CE1 3.63Å; Q196-Y232 VanDerWaalsContact CD-O 3.29Å; Q196-Y232 PolarHBondContact NE2-O 3.25Å; Q196-Y232 PolarHBondContact OE1-O 3.2Å; Q196-Y232 VanDerWaalsContact OE1-O 3.07Å; Y230-Y232 VanDerWaalsContact C-N 3.28Å; Y230-Y232 PolarHBondContact O-N 3.13Å; Y232-I276 HydrophobicContact CD2-CG2 4.41Å; Y232-I276 WeakPolarHBondContact CD2-O 3.27Å; Y232-I276 WeakPolarHBondContact CE2-O 3.37Å; Y232-D343 PolarHBondContact OH-OD1 3.02Å; Y232-A346 HydrophobicContact CE2-CB 3.81Å |
| 233 | I | 79.6 | Confident | 72.1 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -131.6 | 0.4 | -178.9 | 56.3 | 166.5 | 0 | 0 | 0 | 113.4 | F206 L210 P227 Y230 N231 V235 G236 G237 L277 | F206-I233 HydrophobicContact CB-CG2 4.28Å; F206-I233 HydrophobicContact CG-CG2 4.47Å; L210-I233 HydrophobicContact CD1-CD1 3.21Å; P227-I233 HydrophobicContact CB-CD1 4.11Å; Y230-I233 VanDerWaalsContact CB-CG1 3.48Å; Y230-I233 HydrophobicContact CD2-CD1 3.98Å; Y230-I233 HydrophobicContact CD2-CG1 4.48Å; Y230-I233 HydrophobicContact CG-CD1 4.27Å; Y230-I233 HydrophobicContact CG-CG1 4.38Å; Y230-I233 PolarHBondContact O-N 3.21Å; N231-I233 PolarHBondContact O-N 3.32Å; I233-V235 VanDerWaalsContact C-N 3.31Å; I233-V235 PolarHBondContact O-N 3.18Å; I233-G236 PolarHBondContact O-N 3.13Å; I233-G236 VanDerWaalsContact O-N 3.15Å; I233-G237 PolarHBondContact O-N 2.98Å; I233-L277 HydrophobicContact CD1-CD2 3.79Å; I233-L277 HydrophobicContact CG1-CD2 4.08Å; I233-L277 HydrophobicContact CG2-CD2 4.08Å |
| 234 | K | 74.9 | Confident | 72 | Confident | 99 Ų | 99 | 64.3 Ų | 64.3 | 43% | 0.43 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -53.8 | -45.4 | -178.2 | -177.1 | 176.3 | 179.8 | 179.7 | 0 | 112.5 | Y230 G237 | Y230-K234 WeakPolarHBondContact O-CB 3.48Å; Y230-K234 PolarHBondContact O-N 3.39Å; K234-G237 PolarHBondContact O-N 3.19Å |
| 235 | V | 68.4 | Low | 72 | Confident | 59 Ų | 59 | 58.5 Ų | 58.5 | 36% | 0.358 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.5 | -44.3 | -180 | -178.1 | 0 | 0 | 0 | 0 | 111.2 | I233 | I233-V235 VanDerWaalsContact C-N 3.31Å; I233-V235 PolarHBondContact O-N 3.18Å |
| 236 | G | 59.8 | Low | 72.1 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -77.6 | -21.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | E200 Y207 I233 I239 | E200-G236 WeakPolarHBondContact O-CA 3.43Å; Y207-G236 WeakPolarHBondContact OH-CA 3.4Å; I233-G236 PolarHBondContact O-N 3.13Å; I233-G236 VanDerWaalsContact O-N 3.15Å; G236-I239 PolarHBondContact O-N 3.1Å |
| 237 | G | 59 | Low | 72.5 | Confident | 23 Ų | 23 | 53.8 Ų | 53.8 | 24% | 0.237 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.7 | -32.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | I233 K234 I239 | I233-G237 PolarHBondContact O-N 2.98Å; K234-G237 PolarHBondContact O-N 3.19Å; G237-I239 PolarHBondContact O-N 2.9Å |
| 238 | Q | 57.9 | Low | 72.9 | Confident | 145 Ų | 145 | 56 Ų | 56 | 68% | 0.678 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -12.4 | 178.5 | -66.6 | -178.3 | -17.1 | 0 | 0 | 113.3 | T228 | T228-Q238 HydrophobicContact CG2-CG 4.41Š|
| 239 | I | 61.2 | Low | 73.4 | Confident | 36 Ų | 36 | 54.3 Ų | 54.3 | 19% | 0.185 | 32% | 0.315 | C | S | . | . | trans | -86.8 | 115.5 | -174.3 | -56 | 174.6 | 0 | 0 | 0 | 109.9 | G199 E200 R201 G236 G237 S241 | G199-I239 WeakPolarHBondContact O-CD1 3.46Å; E200-I239 WeakPolarHBondContact O-CD1 3.31Å; R201-I239 HydrophobicContact CG-CD1 4.37Å; R201-I239 PolarHBondContact NH2-O 3.33Å; G236-I239 PolarHBondContact O-N 3.1Å; G237-I239 PolarHBondContact O-N 2.9Å; I239-S241 PolarHBondContact O-N 3.34Å | ||
| 240 | K | 57.1 | Low | 73.8 | Confident | 209 Ų | 209 | 58.9 Ų | 58.9 | 91% | 0.909 | 33% | 0.328 | S | S | * | . | trans | -67.4 | 125.3 | 164.9 | -72.6 | -178.5 | 179.4 | 176.8 | 0 | 109.1 | ||||
| 241 | S | 59.7 | Low | 74 | Confident | 32 Ų | 32 | 60.4 Ų | 60.4 | 22% | 0.224 | 34% | 0.341 | C | S | . | . | trans | -130 | 146.9 | 178.3 | -165.4 | 0 | 0 | 0 | 0 | 110 | K152 I239 I243 | K152-S241 PolarHBondContact NZ-OG 3.43Å; I239-S241 PolarHBondContact O-N 3.34Å; S241-I243 PolarHBondContact O-N 2.85Å | ||
| 242 | G | 60.6 | Low | 74.2 | Confident | 90 Ų | 90 | 56.7 Ų | 56.7 | 93% | 0.928 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -75.7 | 9.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 243 | I | 71.7 | Confident | 74.4 | Confident | 38 Ų | 38 | 57 Ų | 57 | 20% | 0.195 | 33% | 0.327 | C | S | . | . | trans | -82.1 | 130.1 | 178.1 | -57.9 | 168.9 | 0 | 0 | 0 | 108.8 | D157 S241 D245 D248 | D157-I243 HydrophobicContact CB-CD1 4.23Å; S241-I243 PolarHBondContact O-N 2.85Å; I243-D245 PolarHBondContact O-N 3.44Å; I243-D248 WeakPolarHBondContact CG2-OD2 3.5Å | ||
| 244 | N | 80.7 | Confident | 74.8 | Confident | 102 Ų | 102 | 61 Ų | 61 | 55% | 0.545 | 35% | 0.348 | S | S | . | . | trans | -91.2 | 77.2 | 176.7 | -167.6 | -12 | 0 | 0 | 0 | 110.9 | S246 A247 D248 | N244-S246 PolarHBondContact O-N 3.26Å; N244-A247 HydrophobicContact CB-CB 4.21Å; N244-A247 PolarHBondContact O-N 2.97Å; N244-A247 PolarHBondContact OD1-N 2.98Å; N244-D248 PolarHBondContact O-N 2.8Å; N244-D248 VanDerWaalsContact O-N 3.1Å | ||
| 245 | D | 82 | Confident | 75.3 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.016 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -53.3 | -28.9 | -177.4 | -58.2 | -56.8 | 0 | 0 | 0 | 113 | R201 K211 I243 F249 | R201-D245 IonicContact NH1-OD2 3.17Å; K211-D245 HydrophobicContact CB-CB 4.25Å; K211-D245 HydrophobicContact CD-CB 3.99Å; K211-D245 WeakPolarHBondContact CD-OD2 3.4Å; K211-D245 IonicContact NZ-OD2 3.87Å; K211-D245 PolarHBondContact NZ-OD2 2.92Å; I243-D245 PolarHBondContact O-N 3.44Å; D245-F249 WeakPolarHBondContact O-CB 3.35Å; D245-F249 PolarHBondContact O-N 2.8Å |
| 246 | S | 83.1 | Confident | 76.2 | Confident | 45 Ų | 45 | 53.6 Ų | 53.6 | 32% | 0.315 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -73.5 | -42.1 | 179.1 | -176.1 | 0 | 0 | 0 | 0 | 113 | N244 K250 | N244-S246 PolarHBondContact O-N 3.26Å; S246-K250 PolarHBondContact O-N 3.02Å |
| 247 | A | 86.3 | Confident | 77.4 | Confident | 46 Ų | 46 | 59.8 Ų | 59.8 | 38% | 0.38 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -68.1 | -40.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | N244 F249 K250 A251 | N244-A247 HydrophobicContact CB-CB 4.21Å; N244-A247 PolarHBondContact O-N 2.97Å; N244-A247 PolarHBondContact OD1-N 2.98Å; A247-F249 PolarHBondContact O-N 2.85Å; A247-K250 PolarHBondContact O-N 3.34Å; A247-A251 PolarHBondContact O-N 3.39Å |
| 248 | D | 85.1 | Confident | 78.6 | Confident | 60 Ų | 60 | 62.2 Ų | 62.2 | 32% | 0.321 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.1 | -38.5 | 178.7 | -64.4 | -27.1 | 0 | 0 | 0 | 111.7 | Q208 I243 N244 K250 A251 V252 | Q208-D248 HydrophobicContact CG-CB 4.21Å; I243-D248 WeakPolarHBondContact CG2-OD2 3.5Å; N244-D248 PolarHBondContact O-N 2.8Å; N244-D248 VanDerWaalsContact O-N 3.1Å; D248-K250 VanDerWaalsContact C-N 3.33Å; D248-K250 PolarHBondContact O-N 2.78Å; D248-A251 PolarHBondContact O-N 3.4Å; D248-V252 VanDerWaalsContact O-CG2 3.29Å; D248-V252 WeakPolarHBondContact O-CG2 3.44Å; D248-V252 PolarHBondContact O-N 3.48Å |
| 249 | F | 87.5 | Confident | 79.7 | Confident | 18 Ų | 18 | 55.5 Ų | 55.5 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.8 | -44.3 | 173.7 | -179.5 | -99.9 | 0 | 0 | 0 | 112.3 | Q208 L209 G212 L217 D245 A247 V252 A253 Y270 | Q208-F249 HydrophobicContact CB-CB 4.06Å; Q208-F249 HydrophobicContact CB-CD2 4.16Å; Q208-F249 VanDerWaalsContact O-CD2 3.32Å; Q208-F249 WeakPolarHBondContact O-CD2 3.48Å; L209-F249 HydrophobicContact CD1-CE2 4.13Å; G212-F249 VanDerWaalsContact C-CD1 3.47Å; G212-F249 WeakPolarHBondContact O-CD1 3.18Å; L217-F249 HydrophobicContact CD2-CZ 4.4Å; D245-F249 WeakPolarHBondContact O-CB 3.35Å; D245-F249 PolarHBondContact O-N 2.8Å; A247-F249 PolarHBondContact O-N 2.85Å; F249-V252 PolarHBondContact O-N 2.73Å; F249-A253 WeakPolarHBondContact O-CB 3.16Å; F249-A253 PolarHBondContact O-N 3.45Å; F249-Y270 AromaticContact CE2-CE1 3.82Å; F249-Y270 HydrophobicContact CE2-CE1 3.82Å; F249-Y270 HydrophobicContact CE2-CE2 4.49Å; F249-Y270 AromaticContact CE2-CZ 3.72Å; F249-Y270 HydrophobicContact CZ-CE1 4.34Å; F249-Y270 HydrophobicContact CZ-CE2 4.2Å; F249-Y270 AromaticContact CZ-CZ 3.8Å |
| 250 | K | 87.3 | Confident | 80.6 | Confident | 134 Ų | 134 | 55.5 Ų | 55.5 | 58% | 0.583 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62.4 | -44.2 | 175.8 | -69.2 | 178.9 | -178.6 | 176.6 | 0 | 111.1 | S246 A247 D248 V252 A253 D254 | S246-K250 PolarHBondContact O-N 3.02Å; A247-K250 PolarHBondContact O-N 3.34Å; D248-K250 VanDerWaalsContact C-N 3.33Å; D248-K250 PolarHBondContact O-N 2.78Å; K250-V252 VanDerWaalsContact C-N 3.33Å; K250-V252 PolarHBondContact O-N 3.11Å; K250-A253 PolarHBondContact O-N 3.16Å; K250-D254 WeakPolarHBondContact O-CB 3.33Å; K250-D254 VanDerWaalsContact O-CG 3.29Å; K250-D254 PolarHBondContact O-N 3.1Å |
| 251 | A | 86.8 | Confident | 81.9 | Confident | 38 Ų | 38 | 46 Ų | 46 | 31% | 0.314 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.9 | -39.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A247 D248 A255 | A247-A251 PolarHBondContact O-N 3.39Å; D248-A251 PolarHBondContact O-N 3.4Å; A251-A255 VanDerWaalsContact O-CB 3.28Å; A251-A255 WeakPolarHBondContact O-CB 3.09Å; A251-A255 PolarHBondContact O-N 2.75Å |
| 252 | V | 87.8 | Confident | 83.1 | Confident | 5 Ų | 5 | 47.8 Ų | 47.8 | 3% | 0.03 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.3 | -44.2 | 176.3 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | A147 D248 F249 K250 D254 A255 M256 | A147-V252 HydrophobicContact CB-CG1 4.26Å; A147-V252 HydrophobicContact CB-CG2 3.68Å; D248-V252 VanDerWaalsContact O-CG2 3.29Å; D248-V252 WeakPolarHBondContact O-CG2 3.44Å; D248-V252 PolarHBondContact O-N 3.48Å; F249-V252 PolarHBondContact O-N 2.73Å; K250-V252 VanDerWaalsContact C-N 3.33Å; K250-V252 PolarHBondContact O-N 3.11Å; V252-D254 VanDerWaalsContact C-N 3.33Å; V252-D254 PolarHBondContact O-N 2.8Å; V252-A255 PolarHBondContact O-N 2.89Å; V252-M256 HydrophobicContact CG1-CE 4.01Å; V252-M256 HydrophobicContact CG1-SD 4.42Å; V252-M256 WeakPolarHBondContact O-CG 3.26Å; V252-M256 PolarHBondContact O-N 3.15Å |
| 253 | A | 86.4 | Confident | 84.3 | Confident | 16 Ų | 16 | 48.1 Ų | 48.1 | 13% | 0.132 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.7 | -42 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F249 K250 M256 K257 | F249-A253 WeakPolarHBondContact O-CB 3.16Å; F249-A253 PolarHBondContact O-N 3.45Å; K250-A253 PolarHBondContact O-N 3.16Å; A253-M256 PolarHBondContact O-N 3.23Å; A253-K257 WeakPolarHBondContact O-CG 3.31Å; A253-K257 PolarHBondContact O-N 3.34Å; A253-K257 VanDerWaalsContact O-N 3.15Å |
| 254 | D | 86.8 | Confident | 84.8 | Confident | 84 Ų | 84 | 51.2 Ų | 51.2 | 45% | 0.449 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.1 | -38.3 | 175 | -70 | -19.3 | 0 | 0 | 0 | 111.7 | K250 V252 K257 V258 | K250-D254 WeakPolarHBondContact O-CB 3.33Å; K250-D254 VanDerWaalsContact O-CG 3.29Å; K250-D254 PolarHBondContact O-N 3.1Å; V252-D254 VanDerWaalsContact C-N 3.33Å; V252-D254 PolarHBondContact O-N 2.8Å; D254-K257 PolarHBondContact O-N 3.16Å; D254-V258 VanDerWaalsContact O-CG2 3.31Å; D254-V258 WeakPolarHBondContact O-CG2 3.2Å; D254-V258 PolarHBondContact O-N 3.17Å |
| 255 | A | 86.6 | Confident | 85 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | K140 C143 V144 A251 V252 K257 V258 I259 | K140-A255 HydrophobicContact CB-CB 4.14Å; K140-A255 HydrophobicContact CD-CB 4.23Å; C143-A255 HydrophobicContact CB-CB 4.26Å; V144-A255 HydrophobicContact CG2-CB 3.89Å; A251-A255 VanDerWaalsContact O-CB 3.28Å; A251-A255 WeakPolarHBondContact O-CB 3.09Å; A251-A255 PolarHBondContact O-N 2.75Å; V252-A255 PolarHBondContact O-N 2.89Å; A255-K257 VanDerWaalsContact C-N 3.31Å; A255-K257 PolarHBondContact O-N 2.78Å; A255-V258 PolarHBondContact O-N 3.12Å; A255-I259 WeakPolarHBondContact O-CD1 3.18Å; A255-I259 WeakPolarHBondContact O-CG1 3.42Å; A255-I259 PolarHBondContact O-N 3.37Å |
| 256 | M | 87.1 | Confident | 85.2 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.3 | -41.4 | 176.5 | -73.5 | -178.6 | 172.5 | 0 | 0 | 111.9 | V144 F148 V252 A253 G260 F261 I266 | V144-M256 HydrophobicContact CG1-CE 3.79Å; V144-M256 HydrophobicContact CG1-CG 4.46Å; V144-M256 HydrophobicContact CG2-CG 3.89Å; F148-M256 HydrophobicContact CD2-CE 4.48Å; F148-M256 HydrophobicContact CE2-CE 3.41Å; F148-M256 VanDerWaalsContact CE2-CE 3.41Å; F148-M256 HydrophobicContact CZ-CE 3.8Å; V252-M256 HydrophobicContact CG1-CE 4.01Å; V252-M256 HydrophobicContact CG1-SD 4.42Å; V252-M256 WeakPolarHBondContact O-CG 3.26Å; V252-M256 PolarHBondContact O-N 3.15Å; A253-M256 PolarHBondContact O-N 3.23Å; M256-G260 PolarHBondContact O-N 2.74Å; M256-F261 HydrophobicContact CB-CB 4.3Å; M256-F261 HydrophobicContact CB-CD2 4.16Å; M256-F261 HydrophobicContact CB-CG 4.41Å; M256-F261 HydrophobicContact CG-CD2 4.38Å; M256-F261 WeakPolarHBondContact O-CB 3.32Å; M256-F261 WeakPolarHBondContact O-CD2 3.46Å; M256-F261 PolarHBondContact O-N 2.73Å; M256-I266 HydrophobicContact CB-CD1 3.82Å; M256-I266 HydrophobicContact CB-CG1 4.12Å; M256-I266 HydrophobicContact SD-CG1 4.09Å; M256-I266 HydrophobicContact SD-CG2 4.33Å |
| 257 | K | 85.6 | Confident | 85.3 | Confident | 130 Ų | 130 | 50.2 Ų | 50.2 | 57% | 0.565 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -63 | -44.2 | 175 | -70.5 | 171.8 | -174.3 | 171.4 | 0 | 112.6 | A253 D254 A255 G260 I266 | A253-K257 WeakPolarHBondContact O-CG 3.31Å; A253-K257 PolarHBondContact O-N 3.34Å; A253-K257 VanDerWaalsContact O-N 3.15Å; D254-K257 PolarHBondContact O-N 3.16Å; A255-K257 VanDerWaalsContact C-N 3.31Å; A255-K257 PolarHBondContact O-N 2.78Å; K257-G260 PolarHBondContact O-N 3.06Å; K257-I266 HydrophobicContact CG-CD1 4.41Å |
| 258 | V | 82.8 | Confident | 85.2 | Confident | 75 Ų | 75 | 48.2 Ų | 48.2 | 46% | 0.455 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -68 | -36.3 | -179.5 | 170.7 | 0 | 0 | 0 | 0 | 112.2 | K140 D254 A255 G260 | K140-V258 HydrophobicContact CG-CG1 4.42Å; D254-V258 VanDerWaalsContact O-CG2 3.31Å; D254-V258 WeakPolarHBondContact O-CG2 3.2Å; D254-V258 PolarHBondContact O-N 3.17Å; A255-V258 PolarHBondContact O-N 3.12Å; V258-G260 VanDerWaalsContact C-N 3.26Å; V258-G260 PolarHBondContact O-N 2.91Å |
| 259 | I | 81 | Confident | 85.3 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.015 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66 | -34.2 | 175.9 | -65.4 | 160.4 | 0 | 0 | 0 | 110.1 | V144 A255 F261 I361 I364 | V144-I259 HydrophobicContact CG2-CD1 3.71Å; A255-I259 WeakPolarHBondContact O-CD1 3.18Å; A255-I259 WeakPolarHBondContact O-CG1 3.42Å; A255-I259 PolarHBondContact O-N 3.37Å; I259-F261 HydrophobicContact CB-CD2 4.15Å; I259-F261 HydrophobicContact CB-CE2 4.24Å; I259-F261 HydrophobicContact CG2-CD2 4.04Å; I259-F261 HydrophobicContact CG2-CE2 3.77Å; I259-I361 HydrophobicContact CG2-CG1 4.16Å; I259-I364 HydrophobicContact CG2-CD1 4.04Å; I259-I364 WeakPolarHBondContact O-CG2 2.89Å |
| 260 | G | 80 | Confident | 85.3 | Confident | 36 Ų | 36 | 45.3 Ų | 45.3 | 37% | 0.371 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 113 | 26.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | M256 K257 V258 | M256-G260 PolarHBondContact O-N 2.74Å; K257-G260 PolarHBondContact O-N 3.06Å; V258-G260 VanDerWaalsContact C-N 3.26Å; V258-G260 PolarHBondContact O-N 2.91Å |
| 261 | F | 84.6 | Confident | 85.3 | Confident | 11 Ų | 11 | 42.1 Ų | 42.1 | 5% | 0.048 | 24% | 0.235 | C | C | . | . | trans | -71.3 | 136.5 | 167.4 | -72.3 | -97 | 0 | 0 | 0 | 110.1 | M256 I259 E265 I266 W356 I357 R360 I361 | M256-F261 HydrophobicContact CB-CB 4.3Å; M256-F261 HydrophobicContact CB-CD2 4.16Å; M256-F261 HydrophobicContact CB-CG 4.41Å; M256-F261 HydrophobicContact CG-CD2 4.38Å; M256-F261 WeakPolarHBondContact O-CB 3.32Å; M256-F261 WeakPolarHBondContact O-CD2 3.46Å; M256-F261 PolarHBondContact O-N 2.73Å; I259-F261 HydrophobicContact CB-CD2 4.15Å; I259-F261 HydrophobicContact CB-CE2 4.24Å; I259-F261 HydrophobicContact CG2-CD2 4.04Å; I259-F261 HydrophobicContact CG2-CE2 3.77Å; F261-E265 WeakPolarHBondContact CA-OE2 3.33Å; F261-E265 HydrophobicContact CD1-CB 4.35Å; F261-I266 HydrophobicContact CB-CD1 4.06Å; F261-I266 HydrophobicContact CB-CG1 3.8Å; F261-W356 HydrophobicContact CD1-CH2 4.15Å; F261-W356 HydrophobicContact CD1-CZ3 4.3Å; F261-W356 AromaticContact CE1-CH2 3.91Å; F261-W356 HydrophobicContact CE1-CH2 3.91Å; F261-W356 AromaticContact CE1-CZ3 3.77Å; F261-W356 HydrophobicContact CE1-CZ3 3.77Å; F261-I357 HydrophobicContact CZ-CG2 4.19Å; F261-R360 HydrophobicContact CD1-CG 4.27Å; F261-R360 HydrophobicContact CE1-CB 4.05Å; F261-R360 HydrophobicContact CE1-CG 3.72Å; F261-R360 HydrophobicContact CZ-CB 4.13Å; F261-R360 HydrophobicContact CZ-CG 4.01Å; F261-I361 HydrophobicContact CE2-CG1 4.13Å; F261-I361 HydrophobicContact CZ-CG1 4.16Å | ||
| 262 | T | 85.8 | Confident | 85.3 | Confident | 69 Ų | 69 | 40.4 Ų | 40.4 | 42% | 0.423 | 22% | 0.221 | S | C | . | . | trans | -72.5 | 156.8 | 172.6 | 61.3 | 0 | 0 | 0 | 0 | 110.8 | D264 E265 I266 | T262-D264 PolarHBondContact O-N 2.62Å; T262-E265 PolarHBondContact N-OE2 2.84Å; T262-E265 PolarHBondContact O-N 2.73Å; T262-E265 VanDerWaalsContact OG1-CB 3.31Å; T262-E265 WeakPolarHBondContact OG1-CB 3.38Å; T262-E265 VanDerWaalsContact OG1-CD 3.23Å; T262-E265 WeakPolarHBondContact OG1-CG 3.5Å; T262-E265 PolarHBondContact OG1-N 2.99Å; T262-E265 PolarHBondContact OG1-OE2 2.67Å; T262-I266 WeakPolarHBondContact O-CG1 3.39Å; T262-I266 PolarHBondContact O-N 2.78Å | ||
| 263 | V | 84.7 | Confident | 85.3 | Confident | 97 Ų | 97 | 40.3 Ų | 40.3 | 59% | 0.588 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -61 | -37 | 178.9 | -178.4 | 0 | 0 | 0 | 0 | 110.8 | I266 Q267 | V263-I266 PolarHBondContact O-N 2.81Å; V263-Q267 WeakPolarHBondContact O-CG 3.47Å; V263-Q267 PolarHBondContact O-N 3.28Å |
| 264 | D | 83.7 | Confident | 85.4 | Confident | 103 Ų | 103 | 39.5 Ų | 39.5 | 55% | 0.551 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -68.3 | -40 | 178.1 | -59.7 | -29.6 | 0 | 0 | 0 | 112.3 | T262 Q267 T268 | T262-D264 PolarHBondContact O-N 2.62Å; D264-Q267 PolarHBondContact O-N 3.19Å; D264-T268 WeakPolarHBondContact O-CB 3.31Å; D264-T268 PolarHBondContact O-N 3.34Å; D264-T268 PolarHBondContact O-OG1 3.12Å |
| 265 | E | 84.8 | Confident | 85.4 | Confident | 25 Ų | 25 | 35.6 Ų | 35.6 | 12% | 0.117 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.3 | -48.1 | 172.4 | -78.3 | 167.4 | 149.1 | 0 | 0 | 110.5 | F261 T262 Q267 T268 V269 W356 R360 V547 | F261-E265 WeakPolarHBondContact CA-OE2 3.33Å; F261-E265 HydrophobicContact CD1-CB 4.35Å; T262-E265 PolarHBondContact N-OE2 2.84Å; T262-E265 PolarHBondContact O-N 2.73Å; T262-E265 VanDerWaalsContact OG1-CB 3.31Å; T262-E265 WeakPolarHBondContact OG1-CB 3.38Å; T262-E265 VanDerWaalsContact OG1-CD 3.23Å; T262-E265 WeakPolarHBondContact OG1-CG 3.5Å; T262-E265 PolarHBondContact OG1-N 2.99Å; T262-E265 PolarHBondContact OG1-OE2 2.67Å; E265-Q267 PolarHBondContact O-N 2.96Å; E265-T268 WeakPolarHBondContact O-CB 3.4Å; E265-T268 PolarHBondContact O-N 3.03Å; E265-T268 VanDerWaalsContact O-N 3.12Å; E265-V269 WeakPolarHBondContact O-CG2 3.44Å; E265-V269 PolarHBondContact O-N 3.48Å; E265-W356 HydrophobicContact CB-CH2 4.02Å; E265-W356 HydrophobicContact CG-CH2 3.85Å; E265-W356 HydrophobicContact CG-CZ2 4.2Å; E265-R360 IonicContact OE1-CZ 3.88Å; E265-R360 IonicContact OE1-NE 2.73Å; E265-R360 PolarHBondContact OE1-NE 3.05Å; E265-R360 IonicContact OE1-NH2 3.64Å; E265-R360 IonicContact OE2-NE 2.8Å; E265-R360 IonicContact OE2-NH2 2.65Å; E265-V547 HydrophobicContact CG-CG2 3.85Å |
| 266 | I | 85.8 | Confident | 85.4 | Confident | 15 Ų | 15 | 35.6 Ų | 35.6 | 8% | 0.077 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.1 | -44.2 | 179.2 | -65.7 | 169.8 | 0 | 0 | 0 | 111 | M256 K257 F261 T262 V263 T268 V269 Y270 | M256-I266 HydrophobicContact CB-CD1 3.82Å; M256-I266 HydrophobicContact CB-CG1 4.12Å; M256-I266 HydrophobicContact SD-CG1 4.09Å; M256-I266 HydrophobicContact SD-CG2 4.33Å; K257-I266 HydrophobicContact CG-CD1 4.41Å; F261-I266 HydrophobicContact CB-CD1 4.06Å; F261-I266 HydrophobicContact CB-CG1 3.8Å; T262-I266 WeakPolarHBondContact O-CG1 3.39Å; T262-I266 PolarHBondContact O-N 2.78Å; V263-I266 PolarHBondContact O-N 2.81Å; I266-T268 VanDerWaalsContact C-N 3.29Å; I266-T268 PolarHBondContact O-N 3.12Å; I266-V269 WeakPolarHBondContact O-CB 3.32Å; I266-V269 PolarHBondContact O-N 3.05Å; I266-Y270 HydrophobicContact CG2-CD2 3.98Å; I266-Y270 HydrophobicContact CG2-CE2 3.31Å; I266-Y270 WeakPolarHBondContact O-CD2 3.23Å; I266-Y270 PolarHBondContact O-N 3.49Å; I266-Y270 VanDerWaalsContact O-N 3.09Å |
| 267 | Q | 84.6 | Confident | 85.4 | Confident | 88 Ų | 88 | 35.6 Ų | 35.6 | 41% | 0.411 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.6 | -38.8 | 175.4 | -74.7 | -177.2 | 5.5 | 0 | 0 | 111.9 | V263 D264 E265 Y270 K271 | V263-Q267 WeakPolarHBondContact O-CG 3.47Å; V263-Q267 PolarHBondContact O-N 3.28Å; D264-Q267 PolarHBondContact O-N 3.19Å; E265-Q267 PolarHBondContact O-N 2.96Å; Q267-Y270 PolarHBondContact O-N 3.18Å; Q267-K271 WeakPolarHBondContact O-CG 3.16Å; Q267-K271 PolarHBondContact O-N 3.03Å |
| 268 | T | 84.2 | Confident | 85.5 | Confident | 4 Ų | 4 | 29.8 Ų | 29.8 | 3% | 0.025 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.9 | -40.1 | 177.7 | -55.7 | 0 | 0 | 0 | 0 | 111.6 | D264 E265 I266 Y270 K271 I272 N545 V547 | D264-T268 WeakPolarHBondContact O-CB 3.31Å; D264-T268 PolarHBondContact O-N 3.34Å; D264-T268 PolarHBondContact O-OG1 3.12Å; E265-T268 WeakPolarHBondContact O-CB 3.4Å; E265-T268 PolarHBondContact O-N 3.03Å; E265-T268 VanDerWaalsContact O-N 3.12Å; I266-T268 VanDerWaalsContact C-N 3.29Å; I266-T268 PolarHBondContact O-N 3.12Å; T268-Y270 VanDerWaalsContact C-N 3.33Å; T268-Y270 PolarHBondContact O-N 2.93Å; T268-K271 PolarHBondContact O-N 3.03Å; T268-I272 HydrophobicContact CG2-CD1 4.2Å; T268-I272 WeakPolarHBondContact O-CG1 3.01Å; T268-I272 PolarHBondContact O-N 3.5Å; T268-N545 PolarHBondContact OG1-ND2 3.03Å; T268-V547 HydrophobicContact CG2-CB 4.13Å; T268-V547 HydrophobicContact CG2-CG1 4.16Å |
| 269 | V | 87.6 | Confident | 85.6 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.8 | -46.4 | 172.4 | 174 | 0 | 0 | 0 | 0 | 110.5 | F148 E265 I266 I272 L273 L353 W356 I357 | F148-V269 HydrophobicContact CE1-CG1 3.69Å; F148-V269 HydrophobicContact CZ-CG1 3.47Å; F148-V269 VanDerWaalsContact CZ-CG1 3.47Å; E265-V269 WeakPolarHBondContact O-CG2 3.44Å; E265-V269 PolarHBondContact O-N 3.48Å; I266-V269 WeakPolarHBondContact O-CB 3.32Å; I266-V269 PolarHBondContact O-N 3.05Å; V269-I272 PolarHBondContact O-N 3.14Å; V269-L273 WeakPolarHBondContact O-CG 3.42Å; V269-L273 PolarHBondContact O-N 3.12Å; V269-L273 VanDerWaalsContact O-N 3.07Å; V269-L353 HydrophobicContact CB-CD1 4.43Å; V269-L353 HydrophobicContact CG1-CD1 4.28Å; V269-L353 HydrophobicContact CG1-CD2 4.3Å; V269-L353 HydrophobicContact CG2-CD1 4.03Å; V269-W356 HydrophobicContact CG2-CZ3 4.02Å; V269-I357 HydrophobicContact CG1-CD1 4.42Å |
| 270 | Y | 87.8 | Confident | 85.7 | Confident | 17 Ų | 17 | 26.2 Ų | 26.2 | 7% | 0.067 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.5 | -36.8 | 177.6 | -60.6 | -36.4 | 0 | 0 | 0 | 113.2 | L209 L217 F249 I266 Q267 T268 L273 A274 | L209-Y270 HydrophobicContact CD1-CD1 3.83Å; L209-Y270 HydrophobicContact CD1-CE1 4.36Å; L209-Y270 HydrophobicContact CD1-CG 4.02Å; L217-Y270 HydrophobicContact CD1-CD2 4.39Å; L217-Y270 HydrophobicContact CD2-CD2 3.82Å; L217-Y270 HydrophobicContact CD2-CE2 4.13Å; L217-Y270 HydrophobicContact CD2-CG 4.47Å; F249-Y270 AromaticContact CE2-CE1 3.82Å; F249-Y270 HydrophobicContact CE2-CE1 3.82Å; F249-Y270 HydrophobicContact CE2-CE2 4.49Å; F249-Y270 AromaticContact CE2-CZ 3.72Å; F249-Y270 HydrophobicContact CZ-CE1 4.34Å; F249-Y270 HydrophobicContact CZ-CE2 4.2Å; F249-Y270 AromaticContact CZ-CZ 3.8Å; I266-Y270 HydrophobicContact CG2-CD2 3.98Å; I266-Y270 HydrophobicContact CG2-CE2 3.31Å; I266-Y270 WeakPolarHBondContact O-CD2 3.23Å; I266-Y270 PolarHBondContact O-N 3.49Å; I266-Y270 VanDerWaalsContact O-N 3.09Å; Q267-Y270 PolarHBondContact O-N 3.18Å; T268-Y270 VanDerWaalsContact C-N 3.33Å; T268-Y270 PolarHBondContact O-N 2.93Å; Y270-L273 HydrophobicContact CD1-CD1 4.44Å; Y270-L273 PolarHBondContact O-N 3.43Å; Y270-A274 WeakPolarHBondContact O-CB 3.49Å; Y270-A274 PolarHBondContact O-N 2.99Å |
| 271 | K | 86.7 | Confident | 86 | Confident | 67 Ų | 67 | 25.9 Ų | 25.9 | 29% | 0.291 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -60.3 | -45.4 | 172.5 | -74.3 | 177.4 | -179.2 | -175.8 | 0 | 111.6 | L221 Q267 T268 L273 A274 T275 | L221-K271 HydrophobicContact CD2-CB 4.35Å; L221-K271 HydrophobicContact CD2-CG 3.74Å; Q267-K271 WeakPolarHBondContact O-CG 3.16Å; Q267-K271 PolarHBondContact O-N 3.03Å; T268-K271 PolarHBondContact O-N 3.03Å; K271-L273 PolarHBondContact O-N 2.99Å; K271-A274 WeakPolarHBondContact O-CB 3.34Å; K271-A274 PolarHBondContact O-N 3.41Å; K271-T275 PolarHBondContact O-N 2.84Å; K271-T275 PolarHBondContact O-OG1 3.2Å |
| 272 | I | 86.6 | Confident | 85.9 | Confident | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.015 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.5 | -43.7 | 177.9 | -67.9 | 166.1 | 0 | 0 | 0 | 111 | T268 V269 A274 T275 I276 M349 L353 L548 M551 | T268-I272 HydrophobicContact CG2-CD1 4.2Å; T268-I272 WeakPolarHBondContact O-CG1 3.01Å; T268-I272 PolarHBondContact O-N 3.5Å; V269-I272 PolarHBondContact O-N 3.14Å; I272-A274 VanDerWaalsContact C-N 3.33Å; I272-A274 PolarHBondContact O-N 3.42Å; I272-T275 PolarHBondContact O-N 2.94Å; I272-I276 HydrophobicContact CG2-CD1 3.99Å; I272-I276 WeakPolarHBondContact O-CG1 3.41Å; I272-I276 PolarHBondContact O-N 2.82Å; I272-M349 HydrophobicContact CG1-CE 4.49Å; I272-M349 HydrophobicContact CG2-CE 3.85Å; I272-L353 HydrophobicContact CB-CD2 4.27Å; I272-L353 HydrophobicContact CD1-CD1 3.94Å; I272-L353 HydrophobicContact CG2-CB 4.39Å; I272-L353 HydrophobicContact CG2-CD2 3.8Å; I272-L353 HydrophobicContact CG2-CG 4.48Å; I272-L548 HydrophobicContact CD1-CD2 4.12Å; I272-L548 HydrophobicContact CG1-CD2 4.34Å; I272-M551 HydrophobicContact CD1-CE 4.24Å; I272-M551 HydrophobicContact CD1-SD 3.84Å |
| 273 | L | 87.9 | Confident | 85.7 | Confident | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.6 | -40.9 | 175.5 | -68.8 | 176.1 | 0 | 0 | 0 | 112 | F148 F206 L209 V269 Y270 K271 I276 L277 Y350 L353 | F148-L273 HydrophobicContact CE1-CD1 3.86Å; F148-L273 HydrophobicContact CE1-CD2 4.15Å; F148-L273 HydrophobicContact CE1-CG 4.32Å; F148-L273 HydrophobicContact CZ-CD1 4.14Å; F206-L273 HydrophobicContact CD1-CD2 4.31Å; F206-L273 HydrophobicContact CE1-CB 4.39Å; F206-L273 HydrophobicContact CE1-CD2 3.82Å; F206-L273 HydrophobicContact CZ-CD2 4.15Å; L209-L273 HydrophobicContact CD2-CB 3.97Å; L209-L273 HydrophobicContact CD2-CD1 4.4Å; V269-L273 WeakPolarHBondContact O-CG 3.42Å; V269-L273 PolarHBondContact O-N 3.12Å; V269-L273 VanDerWaalsContact O-N 3.07Å; Y270-L273 HydrophobicContact CD1-CD1 4.44Å; Y270-L273 PolarHBondContact O-N 3.43Å; K271-L273 PolarHBondContact O-N 2.99Å; L273-I276 PolarHBondContact O-N 2.94Å; L273-L277 PolarHBondContact O-N 2.96Å; L273-Y350 HydrophobicContact CD2-CD2 4.07Å; L273-Y350 HydrophobicContact CD2-CE2 3.77Å; L273-L353 HydrophobicContact CD2-CD2 4.14Å; L273-L353 HydrophobicContact CG-CD2 4.36Å |
| 274 | A | 87.8 | Confident | 85.6 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.6 | -46 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L221 I223 Y270 K271 I272 I276 L277 H278 L305 | L221-A274 HydrophobicContact CB-CB 3.97Å; L221-A274 HydrophobicContact CD1-CB 4.45Å; L221-A274 HydrophobicContact CD2-CB 3.96Å; L221-A274 HydrophobicContact CG-CB 4.35Å; I223-A274 HydrophobicContact CD1-CB 3.61Å; I223-A274 HydrophobicContact CG1-CB 4.15Å; Y270-A274 WeakPolarHBondContact O-CB 3.49Å; Y270-A274 PolarHBondContact O-N 2.99Å; K271-A274 WeakPolarHBondContact O-CB 3.34Å; K271-A274 PolarHBondContact O-N 3.41Å; I272-A274 VanDerWaalsContact C-N 3.33Å; I272-A274 PolarHBondContact O-N 3.42Å; A274-I276 VanDerWaalsContact C-N 3.3Å; A274-I276 PolarHBondContact O-N 3.3Å; A274-L277 PolarHBondContact O-N 3.26Å; A274-H278 PolarHBondContact O-CD2 2.86Å; A274-H278 PolarHBondContact O-N 3.41Å; A274-L305 HydrophobicContact CB-CD1 4.03Å; A274-L305 HydrophobicContact CB-CD2 4.4Å |
| 275 | T | 87.2 | Confident | 85.3 | Confident | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.006 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -58.3 | -42.4 | 176.9 | -56.6 | 0 | 0 | 0 | 0 | 111.5 | K271 I272 L277 H278 L279 I302 L305 L306 M349 | K271-T275 PolarHBondContact O-N 2.84Å; K271-T275 PolarHBondContact O-OG1 3.2Å; I272-T275 PolarHBondContact O-N 2.94Å; T275-L277 VanDerWaalsContact C-N 3.35Å; T275-L277 PolarHBondContact O-N 2.93Å; T275-H278 PolarHBondContact O-N 2.96Å; T275-L279 HydrophobicContact CG2-CD1 4.13Å; T275-L279 HydrophobicContact CG2-CG 4.3Å; T275-L279 WeakPolarHBondContact O-CB 3.14Å; T275-L279 VanDerWaalsContact O-CG 3.29Å; T275-L279 WeakPolarHBondContact O-CG 3.22Å; T275-L279 PolarHBondContact O-N 2.94Å; T275-I302 HydrophobicContact CG2-CG2 4.24Å; T275-L305 WeakPolarHBondContact OG1-CB 3.21Å; T275-L306 HydrophobicContact CG2-CD1 4.03Å; T275-L306 HydrophobicContact CG2-CD2 3.99Å; T275-L306 HydrophobicContact CG2-CG 3.91Å; T275-M349 HydrophobicContact CG2-CE 4.13Å; T275-M349 HydrophobicContact CG2-SD 4.46Å |
| 276 | I | 87.9 | Confident | 84.9 | Confident | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.8 | -40.9 | 178.4 | -67.9 | 161.2 | 0 | 0 | 0 | 111.6 | V193 F206 Y232 I272 L273 A274 L279 G280 A346 M349 Y350 | V193-I276 HydrophobicContact CG1-CG2 3.82Å; F206-I276 HydrophobicContact CE1-CB 4.29Å; F206-I276 HydrophobicContact CE1-CG2 4.03Å; F206-I276 HydrophobicContact CZ-CB 4.49Å; F206-I276 HydrophobicContact CZ-CG2 3.86Å; Y232-I276 HydrophobicContact CD2-CG2 4.41Å; Y232-I276 WeakPolarHBondContact CD2-O 3.27Å; Y232-I276 WeakPolarHBondContact CE2-O 3.37Å; I272-I276 HydrophobicContact CG2-CD1 3.99Å; I272-I276 WeakPolarHBondContact O-CG1 3.41Å; I272-I276 PolarHBondContact O-N 2.82Å; L273-I276 PolarHBondContact O-N 2.94Å; A274-I276 VanDerWaalsContact C-N 3.3Å; A274-I276 PolarHBondContact O-N 3.3Å; I276-L279 PolarHBondContact O-N 3.25Å; I276-G280 PolarHBondContact O-N 2.78Å; I276-A346 HydrophobicContact CG2-CB 4.27Å; I276-M349 HydrophobicContact CD1-CB 4.15Å; I276-M349 HydrophobicContact CG1-CB 4.18Å; I276-Y350 HydrophobicContact CD1-CD2 4Å; I276-Y350 HydrophobicContact CD1-CG 4.48Å |
| 277 | L | 87 | Confident | 84 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.9 | -43 | 177.2 | -70.9 | 175.6 | 0 | 0 | 0 | 112 | F206 I223 Y230 I233 L273 A274 T275 G280 | F206-L277 HydrophobicContact CD1-CD1 4.04Å; F206-L277 HydrophobicContact CD1-CD2 3.63Å; F206-L277 HydrophobicContact CD1-CG 3.72Å; F206-L277 HydrophobicContact CE1-CD2 4.08Å; F206-L277 HydrophobicContact CE1-CG 4.05Å; F206-L277 HydrophobicContact CG-CD2 4.21Å; I223-L277 HydrophobicContact CD1-CD1 4.33Å; Y230-L277 HydrophobicContact CD1-CB 3.77Å; Y230-L277 HydrophobicContact CE1-CB 3.97Å; Y230-L277 HydrophobicContact CG-CB 4.31Å; Y230-L277 HydrophobicContact CG-CD2 4.44Å; I233-L277 HydrophobicContact CD1-CD2 3.79Å; I233-L277 HydrophobicContact CG1-CD2 4.08Å; I233-L277 HydrophobicContact CG2-CD2 4.08Å; L273-L277 PolarHBondContact O-N 2.96Å; A274-L277 PolarHBondContact O-N 3.26Å; T275-L277 VanDerWaalsContact C-N 3.35Å; T275-L277 PolarHBondContact O-N 2.93Å; L277-G280 PolarHBondContact O-N 3.16Å |
| 278 | H | 86.8 | Confident | 83.3 | Confident | 8 Ų | 8 | 23.8 Ų | 23.8 | 4% | 0.037 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -70.2 | -35.2 | 178.2 | -71.6 | -59.5 | 0 | 0 | 0 | 112.8 | L221 H222 Y230 A274 T275 G280 N281 I302 | L221-H278 PolarHBondContact O-NE2 3.11Å; H222-H278 PolarHBondContact O-CE1 3.46Å; H222-H278 PolarHBondContact O-NE2 3.47Å; Y230-H278 AromaticContact CE1-ND1 3.94Å; A274-H278 PolarHBondContact O-CD2 2.86Å; A274-H278 PolarHBondContact O-N 3.41Å; T275-H278 PolarHBondContact O-N 2.96Å; H278-G280 VanDerWaalsContact C-N 3.26Å; H278-G280 PolarHBondContact O-N 3.44Å; H278-N281 PolarHBondContact O-N 2.76Å; H278-N281 VanDerWaalsContact O-N 3.1Å; H278-I302 HydrophobicContact CB-CD1 4.42Å; H278-I302 HydrophobicContact CB-CG1 4.06Å |
| 279 | L | 84.8 | Confident | 82.2 | Confident | 3 Ų | 3 | 31.8 Ų | 31.8 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -55.7 | -41.8 | 173.5 | -81.7 | 170 | 0 | 0 | 0 | 111.1 | T275 I276 N281 L282 I302 R342 L345 A346 M349 | T275-L279 HydrophobicContact CG2-CD1 4.13Å; T275-L279 HydrophobicContact CG2-CG 4.3Å; T275-L279 WeakPolarHBondContact O-CB 3.14Å; T275-L279 VanDerWaalsContact O-CG 3.29Å; T275-L279 WeakPolarHBondContact O-CG 3.22Å; T275-L279 PolarHBondContact O-N 2.94Å; I276-L279 PolarHBondContact O-N 3.25Å; L279-N281 PolarHBondContact O-N 3.45Å; L279-L282 HydrophobicContact CD2-CD1 3.88Å; L279-L282 WeakPolarHBondContact O-CB 3.36Å; L279-L282 PolarHBondContact O-N 3.47Å; L279-L282 VanDerWaalsContact O-N 3.13Å; L279-I302 HydrophobicContact CD2-CD1 4.02Å; L279-I302 HydrophobicContact CG-CD1 4.33Å; L279-R342 VanDerWaalsContact O-CD 3.24Å; L279-R342 WeakPolarHBondContact O-CD 3Å; L279-L345 HydrophobicContact CD1-CD2 4.1Å; L279-L345 HydrophobicContact CD1-CG 4.24Å; L279-L345 HydrophobicContact CD2-CD2 4.2Å; L279-A346 HydrophobicContact CD1-CB 4.5Å; L279-M349 HydrophobicContact CD1-SD 4.12Å |
| 280 | G | 83.1 | Confident | 81.3 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -18 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | N231 I276 L277 H278 | N231-G280 WeakPolarHBondContact CB-O 3.5Å; N231-G280 PolarHBondContact ND2-O 3.36Å; N231-G280 VanDerWaalsContact ND2-O 3.07Å; I276-G280 PolarHBondContact O-N 2.78Å; L277-G280 PolarHBondContact O-N 3.16Å; H278-G280 VanDerWaalsContact C-N 3.26Å; H278-G280 PolarHBondContact O-N 3.44Å |
| 281 | N | 85.7 | Confident | 80.6 | Confident | 29 Ų | 29 | 34.1 Ų | 34.1 | 16% | 0.155 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -4.4 | 178 | -73.4 | -3.6 | 0 | 0 | 0 | 113.2 | A229 Y230 N231 H278 L279 T283 L298 | A229-N281 PolarHBondContact O-ND2 3.43Å; Y230-N281 WeakPolarHBondContact CA-OD1 3.29Å; Y230-N281 WeakPolarHBondContact CD1-ND2 3.04Å; N231-N281 PolarHBondContact N-OD1 2.99Å; H278-N281 PolarHBondContact O-N 2.76Å; H278-N281 VanDerWaalsContact O-N 3.1Å; L279-N281 PolarHBondContact O-N 3.45Å; N281-T283 PolarHBondContact O-N 3.28Å; N281-L298 HydrophobicContact CB-CD1 3.75Å |
| 282 | L | 83.4 | Confident | 80.2 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -71.2 | 126 | 173.6 | -70.6 | 172.9 | 0 | 0 | 0 | 110.6 | L279 I293 L298 V299 I302 L317 R342 | L279-L282 HydrophobicContact CD2-CD1 3.88Å; L279-L282 WeakPolarHBondContact O-CB 3.36Å; L279-L282 PolarHBondContact O-N 3.47Å; L279-L282 VanDerWaalsContact O-N 3.13Å; L282-I293 HydrophobicContact CD2-CG2 4.07Å; L282-L298 HydrophobicContact CD2-CB 3.9Å; L282-V299 HydrophobicContact CD2-CG2 4Å; L282-I302 HydrophobicContact CD1-CD1 3.69Å; L282-I302 HydrophobicContact CD2-CD1 4.3Å; L282-I302 HydrophobicContact CG-CD1 4.07Å; L282-L317 HydrophobicContact CD1-CD1 4.06Å; L282-R342 PolarHBondContact O-NH1 2.7Å | ||
| 283 | T | 81 | Confident | 79.8 | Confident | 52 Ų | 52 | 35.3 Ų | 35.3 | 32% | 0.319 | 21% | 0.213 | S | C | . | . | trans | -112.8 | 144.1 | 171.4 | 53 | 0 | 0 | 0 | 0 | 110.2 | N281 E294 | N281-T283 PolarHBondContact O-N 3.28Å; T283-E294 VanDerWaalsContact CB-OE2 3.24Å; T283-E294 WeakPolarHBondContact CB-OE2 3.32Å; T283-E294 PolarHBondContact O-N 3.4Å; T283-E294 VanDerWaalsContact O-N 3.14Å; T283-E294 PolarHBondContact OG1-OE2 2.87Å | ||
| 284 | F | 82.8 | Confident | 79.2 | Confident | 23 Ų | 23 | 41.5 Ų | 41.5 | 10% | 0.101 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 126.1 | 179.7 | -59.4 | -78 | 0 | 0 | 0 | 108.9 | L292 I293 L317 L318 A338 R342 | F284-L292 CarbonylContact C-O 3.57Å; F284-L292 WeakPolarHBondContact CA-O 3.24Å; F284-I293 HydrophobicContact CD1-CG1 4.01Å; F284-I293 HydrophobicContact CE1-CD1 4.44Å; F284-I293 HydrophobicContact CE1-CG1 3.93Å; F284-L317 HydrophobicContact CE1-CB 4.4Å; F284-L317 HydrophobicContact CZ-CD2 4.43Å; F284-L318 HydrophobicContact CD1-CD2 4.34Å; F284-L318 HydrophobicContact CE1-CD2 4.45Å; F284-A338 HydrophobicContact CD1-CB 4Å; F284-A338 HydrophobicContact CD2-CB 4.09Å; F284-A338 HydrophobicContact CE1-CB 3.99Å; F284-A338 HydrophobicContact CE2-CB 4.09Å; F284-A338 WeakPolarHBondContact CE2-O 3.33Å; F284-A338 HydrophobicContact CG-CB 4.04Å; F284-A338 HydrophobicContact CZ-CB 4.04Å; F284-R342 HydrophobicContact CE2-CB 4.03Å; F284-R342 HydrophobicContact CZ-CB 4.2Å |
| 285 | G | 77.1 | Confident | 78.5 | Confident | 13 Ų | 13 | 44.7 Ų | 44.7 | 13% | 0.134 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 173.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L292 | G285-L292 PolarHBondContact N-O 3.03Å; G285-L292 PolarHBondContact O-N 3.27Å |
| 286 | V | 76.5 | Confident | 77.9 | Confident | 99 Ų | 99 | 48.1 Ų | 48.1 | 60% | 0.6 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 128.4 | 174.6 | -173.7 | 0 | 0 | 0 | 0 | 107.7 | G288 T335 | V286-G288 WeakPolarHBondContact CG1-O 3.44Å; V286-T335 HydrophobicContact CG2-CG2 3.35Å |
| 287 | D | 68.5 | Low | 77.4 | Confident | 114 Ų | 114 | 56.3 Ų | 56.3 | 61% | 0.61 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123 | 101.6 | 167.1 | -171 | 22.7 | 0 | 0 | 0 | 108.3 | D289 V290 L292 | D287-D289 PolarHBondContact O-N 3.13Å; D287-V290 PolarHBondContact N-O 3.14Å; D287-V290 PolarHBondContact O-N 3.04Å; D287-V290 VanDerWaalsContact O-N 3.17Å; D287-L292 HydrophobicContact CB-CD1 3.45Å; D287-L292 VanDerWaalsContact CB-CD1 3.45Å; D287-L292 HydrophobicContact CB-CG 4.27Å |
| 288 | G | 68.4 | Low | 77 | Confident | 62 Ų | 62 | 57.6 Ų | 57.6 | 64% | 0.639 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | -125.9 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V286 | V286-G288 WeakPolarHBondContact CG1-O 3.44Š|
| 289 | D | 62.6 | Low | 76.5 | Confident | 172 Ų | 172 | 57.2 Ų | 57.2 | 92% | 0.92 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | 2.8 | 173.2 | -82.9 | -22.4 | 0 | 0 | 0 | 112.8 | D287 | D287-D289 PolarHBondContact O-N 3.13Š|
| 290 | V | 67.8 | Low | 76.3 | Confident | 59 Ų | 59 | 59.6 Ų | 59.6 | 36% | 0.358 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 128.2 | -172.8 | -174.5 | 0 | 0 | 0 | 0 | 109.6 | D287 L292 | D287-V290 PolarHBondContact N-O 3.14Å; D287-V290 PolarHBondContact O-N 3.04Å; D287-V290 VanDerWaalsContact O-N 3.17Å; V290-L292 HydrophobicContact CG1-CD2 4.39Å |
| 291 | T | 73.8 | Confident | 76.2 | Confident | 8 Ų | 8 | 60.8 Ų | 60.8 | 5% | 0.049 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 128.5 | 171.8 | 43.4 | 0 | 0 | 0 | 0 | 111.1 | L318 Q332 H333 T335 | T291-L318 WeakPolarHBondContact O-CD2 3.09Å; T291-Q332 PolarHBondContact OG1-NE2 3.27Å; T291-Q332 VanDerWaalsContact OG1-NE2 3.13Å; T291-H333 WeakPolarHBondContact CG2-O 3.18Å; T291-H333 PolarHBondContact OG1-O 3.47Å; T291-T335 HydrophobicContact CG2-CG2 3.76Å |
| 292 | L | 77.2 | Confident | 75.9 | Confident | 76 Ų | 76 | 59.4 Ų | 59.4 | 40% | 0.398 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 156.6 | 179 | -67.4 | 176.8 | 0 | 0 | 0 | 111.1 | F284 G285 D287 V290 | F284-L292 CarbonylContact C-O 3.57Å; F284-L292 WeakPolarHBondContact CA-O 3.24Å; G285-L292 PolarHBondContact N-O 3.03Å; G285-L292 PolarHBondContact O-N 3.27Å; D287-L292 HydrophobicContact CB-CD1 3.45Å; D287-L292 VanDerWaalsContact CB-CD1 3.45Å; D287-L292 HydrophobicContact CB-CG 4.27Å; V290-L292 HydrophobicContact CG1-CD2 4.39Å |
| 293 | I | 78.5 | Confident | 75.8 | Confident | 19 Ų | 19 | 64.6 Ų | 64.6 | 10% | 0.097 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 120.3 | 173.9 | -56.9 | 174.8 | 0 | 0 | 0 | 108.1 | L282 F284 N295 V299 E314 L317 L318 | L282-I293 HydrophobicContact CD2-CG2 4.07Å; F284-I293 HydrophobicContact CD1-CG1 4.01Å; F284-I293 HydrophobicContact CE1-CD1 4.44Å; F284-I293 HydrophobicContact CE1-CG1 3.93Å; I293-N295 VanDerWaalsContact C-N 3.27Å; I293-N295 PolarHBondContact O-N 3.19Å; I293-V299 HydrophobicContact CD1-CG2 4.03Å; I293-V299 HydrophobicContact CG2-CG2 3.9Å; I293-E314 HydrophobicContact CD1-CG 4.37Å; I293-L317 HydrophobicContact CD1-CB 4.44Å; I293-L317 HydrophobicContact CD1-CD1 4.02Å; I293-L318 HydrophobicContact CD1-CG 4.47Å; I293-L318 HydrophobicContact CG1-CD1 4.44Å; I293-L318 HydrophobicContact CG1-CD2 4.08Å; I293-L318 HydrophobicContact CG1-CG 4.41Å |
| 294 | E | 75.1 | Confident | 75.7 | Confident | 132 Ų | 132 | 67.6 Ų | 67.6 | 62% | 0.617 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -69.7 | -25.5 | -176.1 | -65.4 | 178.5 | 154.2 | 0 | 0 | 112.9 | T283 | T283-E294 VanDerWaalsContact CB-OE2 3.24Å; T283-E294 WeakPolarHBondContact CB-OE2 3.32Å; T283-E294 PolarHBondContact O-N 3.4Å; T283-E294 VanDerWaalsContact O-N 3.14Å; T283-E294 PolarHBondContact OG1-OE2 2.87Å |
| 295 | N | 74.1 | Confident | 75.5 | Confident | 66 Ų | 66 | 67.1 Ų | 67.1 | 35% | 0.353 | 37% | 0.365 | S | S | . | . | trans | -123.1 | 73.7 | -169.3 | -151.5 | -14.9 | 0 | 0 | 0 | 112.6 | I293 K297 L298 | I293-N295 VanDerWaalsContact C-N 3.27Å; I293-N295 PolarHBondContact O-N 3.19Å; N295-K297 PolarHBondContact O-N 3.4Å; N295-L298 HydrophobicContact CB-CD1 4.18Å; N295-L298 PolarHBondContact O-N 3.29Å; N295-L298 VanDerWaalsContact O-N 3.14Å | ||
| 296 | T | 74.3 | Confident | 75.3 | Confident | 74 Ų | 74 | 67 Ų | 67 | 45% | 0.454 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.3 | -27.8 | -177.7 | -22.4 | 0 | 0 | 0 | 0 | 113.1 | L298 V299 S300 | T296-L298 VanDerWaalsContact C-N 3.3Å; T296-L298 PolarHBondContact O-N 3.48Å; T296-V299 WeakPolarHBondContact O-CB 3.34Å; T296-V299 PolarHBondContact O-N 2.95Å; T296-V299 VanDerWaalsContact O-N 3.14Å; T296-S300 PolarHBondContact O-N 3.22Å |
| 297 | K | 77.6 | Confident | 75.1 | Confident | 172 Ų | 172 | 63.9 Ų | 63.9 | 75% | 0.748 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -61.1 | -36.7 | 177.2 | -67.4 | -179.9 | -178.4 | 175.2 | 0 | 112.6 | N295 S300 V301 | N295-K297 PolarHBondContact O-N 3.4Å; K297-S300 WeakPolarHBondContact O-CB 3.33Å; K297-S300 PolarHBondContact O-N 3.04Å; K297-V301 PolarHBondContact O-N 2.93Å |
| 298 | L | 77.8 | Confident | 75.2 | Confident | 27 Ų | 27 | 58.9 Ų | 58.9 | 14% | 0.141 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -72 | -31.8 | 177.5 | -69.5 | 175.2 | 0 | 0 | 0 | 111.9 | N281 L282 N295 T296 S300 V301 I302 | N281-L298 HydrophobicContact CB-CD1 3.75Å; L282-L298 HydrophobicContact CD2-CB 3.9Å; N295-L298 HydrophobicContact CB-CD1 4.18Å; N295-L298 PolarHBondContact O-N 3.29Å; N295-L298 VanDerWaalsContact O-N 3.14Å; T296-L298 VanDerWaalsContact C-N 3.3Å; T296-L298 PolarHBondContact O-N 3.48Å; L298-S300 VanDerWaalsContact C-N 3.3Å; L298-S300 PolarHBondContact O-N 3.04Å; L298-V301 PolarHBondContact O-N 3.3Å; L298-I302 VanDerWaalsContact O-CG1 3.3Å; L298-I302 WeakPolarHBondContact O-CG1 3.39Å; L298-I302 PolarHBondContact O-N 3.34Å |
| 299 | V | 77.6 | Confident | 75.5 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.5 | -39.9 | 174.3 | -174.5 | 0 | 0 | 0 | 0 | 110.2 | L282 I293 T296 V301 I302 R303 E310 V313 E314 | L282-V299 HydrophobicContact CD2-CG2 4Å; I293-V299 HydrophobicContact CD1-CG2 4.03Å; I293-V299 HydrophobicContact CG2-CG2 3.9Å; T296-V299 WeakPolarHBondContact O-CB 3.34Å; T296-V299 PolarHBondContact O-N 2.95Å; T296-V299 VanDerWaalsContact O-N 3.14Å; V299-V301 PolarHBondContact O-N 3.44Å; V299-I302 PolarHBondContact O-N 3.24Å; V299-R303 VanDerWaalsContact O-CB 3.25Å; V299-R303 WeakPolarHBondContact O-CB 3.33Å; V299-R303 PolarHBondContact O-N 2.98Å; V299-E310 HydrophobicContact CG1-CG 4.1Å; V299-V313 HydrophobicContact CG1-CB 4.43Å; V299-V313 HydrophobicContact CG1-CG1 4.16Å; V299-E314 HydrophobicContact CG1-CG 4.02Å |
| 300 | S | 79.6 | Confident | 76.2 | Confident | 53 Ų | 53 | 56.4 Ų | 56.4 | 37% | 0.371 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.4 | -39.2 | 173.7 | -159.9 | 0 | 0 | 0 | 0 | 113 | T296 K297 L298 R303 E304 | T296-S300 PolarHBondContact O-N 3.22Å; K297-S300 WeakPolarHBondContact O-CB 3.33Å; K297-S300 PolarHBondContact O-N 3.04Å; L298-S300 VanDerWaalsContact C-N 3.3Å; L298-S300 PolarHBondContact O-N 3.04Å; S300-R303 WeakPolarHBondContact O-CB 3.42Å; S300-R303 PolarHBondContact O-N 3.46Å; S300-E304 PolarHBondContact O-N 2.81Å |
| 301 | V | 81.4 | Confident | 76.7 | Confident | 25 Ų | 25 | 59.7 Ų | 59.7 | 15% | 0.152 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.4 | -43.9 | 174.8 | 174.5 | 0 | 0 | 0 | 0 | 111.4 | H222 K297 L298 V299 R303 E304 L305 | H222-V301 HydrophobicContact CB-CG1 3.73Å; K297-V301 PolarHBondContact O-N 2.93Å; L298-V301 PolarHBondContact O-N 3.3Å; V299-V301 PolarHBondContact O-N 3.44Å; V301-R303 VanDerWaalsContact C-N 3.3Å; V301-R303 PolarHBondContact O-N 3.23Å; V301-E304 PolarHBondContact O-N 2.88Å; V301-L305 HydrophobicContact CG1-CD1 4.03Å; V301-L305 HydrophobicContact CG1-CG 4.48Å; V301-L305 WeakPolarHBondContact O-CG 3.33Å; V301-L305 PolarHBondContact O-N 2.79Å |
| 302 | I | 79.6 | Confident | 76.9 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.5 | -39.1 | 177.1 | -69.7 | 165.3 | 0 | 0 | 0 | 110.7 | T275 H278 L279 L282 L298 V299 E304 L305 L306 V313 | T275-I302 HydrophobicContact CG2-CG2 4.24Å; H278-I302 HydrophobicContact CB-CD1 4.42Å; H278-I302 HydrophobicContact CB-CG1 4.06Å; L279-I302 HydrophobicContact CD2-CD1 4.02Å; L279-I302 HydrophobicContact CG-CD1 4.33Å; L282-I302 HydrophobicContact CD1-CD1 3.69Å; L282-I302 HydrophobicContact CD2-CD1 4.3Å; L282-I302 HydrophobicContact CG-CD1 4.07Å; L298-I302 VanDerWaalsContact O-CG1 3.3Å; L298-I302 WeakPolarHBondContact O-CG1 3.39Å; L298-I302 PolarHBondContact O-N 3.34Å; V299-I302 PolarHBondContact O-N 3.24Å; I302-E304 VanDerWaalsContact C-N 3.35Å; I302-L305 PolarHBondContact O-N 3.37Å; I302-L306 HydrophobicContact CG2-CD1 3.65Å; I302-L306 HydrophobicContact CG2-CG 4.28Å; I302-L306 WeakPolarHBondContact O-CB 3.29Å; I302-L306 WeakPolarHBondContact O-CG 3.42Å; I302-L306 PolarHBondContact O-N 2.98Å; I302-V313 HydrophobicContact CG2-CG1 4.32Å |
| 303 | R | 80.3 | Confident | 77 | Confident | 108 Ų | 108 | 59.9 Ų | 59.9 | 41% | 0.408 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -57.7 | -45.1 | 172.6 | 173.3 | -148.3 | 168.8 | 155.5 | -8.4 | 111.2 | V299 S300 V301 S307 T308 E310 | V299-R303 VanDerWaalsContact O-CB 3.25Å; V299-R303 WeakPolarHBondContact O-CB 3.33Å; V299-R303 PolarHBondContact O-N 2.98Å; S300-R303 WeakPolarHBondContact O-CB 3.42Å; S300-R303 PolarHBondContact O-N 3.46Å; V301-R303 VanDerWaalsContact C-N 3.3Å; V301-R303 PolarHBondContact O-N 3.23Å; R303-S307 CarbonylContact O-C 3.43Å; R303-S307 WeakPolarHBondContact O-CA 3.47Å; R303-S307 PolarHBondContact O-N 3.26Å; R303-T308 WeakPolarHBondContact CG-O 3.09Å; R303-T308 PolarHBondContact O-N 3.42Å; R303-T308 VanDerWaalsContact O-N 3.13Å; R303-E310 HydrophobicContact CG-CB 4.48Å; R303-E310 IonicContact NH1-OE2 2.71Å; R303-E310 PolarHBondContact NH1-OE2 2.99Å |
| 304 | E | 80.2 | Confident | 77.1 | Confident | 115 Ų | 115 | 62 Ų | 62 | 54% | 0.537 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.6 | -45.7 | 177.9 | -167.6 | 178.2 | 170 | 0 | 0 | 111.8 | H222 S300 V301 I302 S307 | H222-E304 IonicContact CE1-OE1 3.04Å; H222-E304 IonicContact CE1-OE2 3.71Å; H222-E304 PolarHBondContact CE1-OE2 2.87Å; H222-E304 IonicContact ND1-OE2 2.64Å; H222-E304 IonicContact NE2-OE2 3.8Å; S300-E304 PolarHBondContact O-N 2.81Å; V301-E304 PolarHBondContact O-N 2.88Å; I302-E304 VanDerWaalsContact C-N 3.35Å; E304-S307 PolarHBondContact O-N 3.35Å; E304-S307 PolarHBondContact O-OG 3.14Å; E304-S307 VanDerWaalsContact O-OG 3.09Å |
| 305 | L | 77.3 | Confident | 77.4 | Confident | 13 Ų | 13 | 61 Ų | 61 | 7% | 0.068 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.6 | -40.5 | -178.9 | -68.6 | 173.2 | 0 | 0 | 0 | 113.6 | L221 A274 T275 V301 I302 S307 | L221-L305 HydrophobicContact CD2-CD2 4.05Å; A274-L305 HydrophobicContact CB-CD1 4.03Å; A274-L305 HydrophobicContact CB-CD2 4.4Å; T275-L305 WeakPolarHBondContact OG1-CB 3.21Å; V301-L305 HydrophobicContact CG1-CD1 4.03Å; V301-L305 HydrophobicContact CG1-CG 4.48Å; V301-L305 WeakPolarHBondContact O-CG 3.33Å; V301-L305 PolarHBondContact O-N 2.79Å; I302-L305 PolarHBondContact O-N 3.37Å; L305-S307 VanDerWaalsContact C-N 3.34Å |
| 306 | L | 72.6 | Confident | 77.6 | Confident | 10 Ų | 10 | 58.1 Ų | 58.1 | 5% | 0.052 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -85.1 | -11.9 | 174.8 | -67 | 177.1 | 0 | 0 | 0 | 112.8 | T275 I302 T308 M349 L536 L537 S540 | T275-L306 HydrophobicContact CG2-CD1 4.03Å; T275-L306 HydrophobicContact CG2-CD2 3.99Å; T275-L306 HydrophobicContact CG2-CG 3.91Å; I302-L306 HydrophobicContact CG2-CD1 3.65Å; I302-L306 HydrophobicContact CG2-CG 4.28Å; I302-L306 WeakPolarHBondContact O-CB 3.29Å; I302-L306 WeakPolarHBondContact O-CG 3.42Å; I302-L306 PolarHBondContact O-N 2.98Å; L306-T308 VanDerWaalsContact C-N 3.27Å; L306-T308 HydrophobicContact CB-CG2 4.15Å; L306-T308 PolarHBondContact O-N 2.83Å; L306-M349 HydrophobicContact CD2-CE 4.12Å; L306-L536 HydrophobicContact CD1-CD2 4.38Å; L306-L537 HydrophobicContact CD1-CD2 4.32Å; L306-L537 HydrophobicContact CD2-CD2 3.94Å; L306-S540 PolarHBondContact O-OG 2.81Å |
| 307 | S | 72.5 | Confident | 77.9 | Confident | 34 Ų | 34 | 54.8 Ų | 54.8 | 24% | 0.238 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 42.6 | -176.4 | -56.7 | 0 | 0 | 0 | 0 | 112.8 | R303 E304 L305 S540 P541 H542 | R303-S307 CarbonylContact O-C 3.43Å; R303-S307 WeakPolarHBondContact O-CA 3.47Å; R303-S307 PolarHBondContact O-N 3.26Å; E304-S307 PolarHBondContact O-N 3.35Å; E304-S307 PolarHBondContact O-OG 3.14Å; E304-S307 VanDerWaalsContact O-OG 3.09Å; L305-S307 VanDerWaalsContact C-N 3.34Å; S307-S540 PolarHBondContact O-OG 2.9Å; S307-S540 VanDerWaalsContact O-OG 3.09Å; S307-P541 VanDerWaalsContact O-CD 3.29Å; S307-P541 WeakPolarHBondContact O-CD 3.21Å; S307-P541 VanDerWaalsContact O-CG 3.31Å; S307-P541 WeakPolarHBondContact O-CG 3.44Å; S307-H542 PolarHBondContact OG-CD2 3.21Å; S307-H542 VanDerWaalsContact OG-CD2 3.29Å |
| 308 | T | 70.6 | Confident | 78.2 | Confident | 10 Ų | 10 | 47.3 Ų | 47.3 | 6% | 0.061 | 23% | 0.231 | C | C | . | . | trans | -104 | 174.6 | -179.9 | 47 | 0 | 0 | 0 | 0 | 112.2 | R303 L306 V313 L536 S540 | R303-T308 WeakPolarHBondContact CG-O 3.09Å; R303-T308 PolarHBondContact O-N 3.42Å; R303-T308 VanDerWaalsContact O-N 3.13Å; L306-T308 VanDerWaalsContact C-N 3.27Å; L306-T308 HydrophobicContact CB-CG2 4.15Å; L306-T308 PolarHBondContact O-N 2.83Å; T308-V313 VanDerWaalsContact OG1-CG2 3.22Å; T308-V313 WeakPolarHBondContact OG1-CG2 3.26Å; T308-L536 HydrophobicContact CG2-CD2 4.23Å; T308-L536 HydrophobicContact CG2-CG 4.44Å; T308-S540 VanDerWaalsContact CG2-CB 3.47Å; T308-S540 VanDerWaalsContact CG2-OG 3.3Å; T308-S540 WeakPolarHBondContact CG2-OG 3.24Å | ||
| 309 | K | 76.1 | Confident | 78.3 | Confident | 132 Ų | 132 | 49.9 Ų | 49.9 | 57% | 0.574 | 24% | 0.239 | S | C | * | . | trans | -80.6 | 139.9 | 166.3 | -64.5 | -174 | 178.9 | -174.4 | 0 | 109.8 | E311 N312 V313 | K309-E311 PolarHBondContact O-N 2.87Å; K309-N312 PolarHBondContact O-N 3.18Å; K309-N312 VanDerWaalsContact O-N 3.16Å; K309-V313 PolarHBondContact O-N 3.04Å | ||
| 310 | E | 76.9 | Confident | 78.3 | Confident | 50 Ų | 50 | 54.9 Ų | 54.9 | 23% | 0.234 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.7 | -47.8 | -179.5 | -160 | 159 | 177.5 | 0 | 0 | 111.9 | V299 R303 N312 V313 E314 | V299-E310 HydrophobicContact CG1-CG 4.1Å; R303-E310 HydrophobicContact CG-CB 4.48Å; R303-E310 IonicContact NH1-OE2 2.71Å; R303-E310 PolarHBondContact NH1-OE2 2.99Å; E310-N312 PolarHBondContact O-N 2.88Å; E310-N312 VanDerWaalsContact O-N 3.11Å; E310-V313 PolarHBondContact O-N 3.33Å; E310-E314 PolarHBondContact O-N 3.36Å |
| 311 | E | 77.7 | Confident | 78.1 | Confident | 128 Ų | 128 | 54.1 Ų | 54.1 | 60% | 0.598 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -52.7 | -36.3 | 176.1 | -64.5 | 168.1 | -171.4 | 0 | 0 | 113.1 | K309 K315 | K309-E311 PolarHBondContact O-N 2.87Å; E311-K315 VanDerWaalsContact O-CB 3.23Å; E311-K315 WeakPolarHBondContact O-CB 3.23Å; E311-K315 WeakPolarHBondContact O-CG 3.4Å; E311-K315 PolarHBondContact O-N 3.14Å |
| 312 | N | 78.2 | Confident | 77.7 | Confident | 81 Ų | 81 | 55.2 Ų | 55.2 | 43% | 0.433 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -74.6 | -36.5 | -179.6 | -69.3 | -13.1 | 0 | 0 | 0 | 111.5 | K309 E310 A316 L536 | K309-N312 PolarHBondContact O-N 3.18Å; K309-N312 VanDerWaalsContact O-N 3.16Å; E310-N312 PolarHBondContact O-N 2.88Å; E310-N312 VanDerWaalsContact O-N 3.11Å; N312-A316 VanDerWaalsContact O-CB 3.32Å; N312-A316 WeakPolarHBondContact O-CB 3.35Å; N312-A316 PolarHBondContact O-N 2.95Å; N312-L536 VanDerWaalsContact C-CD1 3.45Å; N312-L536 HydrophobicContact CB-CD1 4.14Å; N312-L536 WeakPolarHBondContact O-CD1 3.41Å |
| 313 | V | 78.8 | Confident | 77 | Confident | 7 Ų | 7 | 57.3 Ų | 57.3 | 4% | 0.042 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.5 | -44.3 | 178 | 179.7 | 0 | 0 | 0 | 0 | 109.9 | V299 I302 T308 K309 E310 A316 L317 L536 | V299-V313 HydrophobicContact CG1-CB 4.43Å; V299-V313 HydrophobicContact CG1-CG1 4.16Å; I302-V313 HydrophobicContact CG2-CG1 4.32Å; T308-V313 VanDerWaalsContact OG1-CG2 3.22Å; T308-V313 WeakPolarHBondContact OG1-CG2 3.26Å; K309-V313 PolarHBondContact O-N 3.04Å; E310-V313 PolarHBondContact O-N 3.33Å; V313-A316 PolarHBondContact O-N 3.43Å; V313-L317 HydrophobicContact CG1-CD1 3.94Å; V313-L317 VanDerWaalsContact O-CG 3.31Å; V313-L317 WeakPolarHBondContact O-CG 3.39Å; V313-L317 PolarHBondContact O-N 3.29Å; V313-L317 VanDerWaalsContact O-N 3.08Å; V313-L536 HydrophobicContact CB-CD1 4.36Å; V313-L536 HydrophobicContact CG2-CD1 3.99Å |
| 314 | E | 81 | Confident | 76.2 | Confident | 63 Ų | 63 | 56.6 Ų | 56.6 | 29% | 0.294 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63 | -46.7 | 175.1 | -67.6 | -175.3 | 158.6 | 0 | 0 | 111.5 | I293 V299 E310 A316 L317 L318 | I293-E314 HydrophobicContact CD1-CG 4.37Å; V299-E314 HydrophobicContact CG1-CG 4.02Å; E310-E314 PolarHBondContact O-N 3.36Å; E314-A316 VanDerWaalsContact C-N 3.33Å; E314-A316 PolarHBondContact O-N 3.21Å; E314-L317 PolarHBondContact O-N 2.94Å; E314-L318 WeakPolarHBondContact O-CB 2.88Å; E314-L318 WeakPolarHBondContact O-CG 3.49Å; E314-L318 PolarHBondContact O-N 2.77Å |
| 315 | K | 81.5 | Confident | 75.7 | Confident | 110 Ų | 110 | 54.4 Ų | 54.4 | 48% | 0.478 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.1 | -44.2 | 176.4 | -80.5 | -177.4 | 178.6 | -165.9 | 0 | 112.6 | E311 L317 Y319 | E311-K315 VanDerWaalsContact O-CB 3.23Å; E311-K315 WeakPolarHBondContact O-CB 3.23Å; E311-K315 WeakPolarHBondContact O-CG 3.4Å; E311-K315 PolarHBondContact O-N 3.14Å; K315-L317 VanDerWaalsContact C-N 3.32Å; K315-L317 PolarHBondContact O-N 2.85Å; K315-Y319 WeakPolarHBondContact O-CA 3.25Å; K315-Y319 WeakPolarHBondContact O-CB 3.28Å; K315-Y319 PolarHBondContact O-N 3.39Å; K315-Y319 VanDerWaalsContact O-O 3.09Å |
| 316 | A | 78.8 | Confident | 74.9 | Confident | 7 Ų | 7 | 65.1 Ų | 65.1 | 6% | 0.058 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68.5 | -29 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | N312 V313 E314 F533 L536 | N312-A316 VanDerWaalsContact O-CB 3.32Å; N312-A316 WeakPolarHBondContact O-CB 3.35Å; N312-A316 PolarHBondContact O-N 2.95Å; V313-A316 PolarHBondContact O-N 3.43Å; E314-A316 VanDerWaalsContact C-N 3.33Å; E314-A316 PolarHBondContact O-N 3.21Å; A316-F533 HydrophobicContact CB-CD1 3.94Å; A316-F533 HydrophobicContact CB-CE1 3.98Å; A316-F533 WeakPolarHBondContact O-CE1 3.44Å; A316-F533 WeakPolarHBondContact O-CZ 3.25Å; A316-L536 HydrophobicContact CB-CD1 3.73Å |
| 317 | L | 80.6 | Confident | 74.5 | Confident | 4 Ų | 4 | 70.2 Ų | 70.2 | 2% | 0.021 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -83.3 | -33.6 | 178.6 | -71.5 | 169.1 | 0 | 0 | 0 | 112.9 | L282 F284 I293 V313 E314 K315 F533 | L282-L317 HydrophobicContact CD1-CD1 4.06Å; F284-L317 HydrophobicContact CE1-CB 4.4Å; F284-L317 HydrophobicContact CZ-CD2 4.43Å; I293-L317 HydrophobicContact CD1-CB 4.44Å; I293-L317 HydrophobicContact CD1-CD1 4.02Å; V313-L317 HydrophobicContact CG1-CD1 3.94Å; V313-L317 VanDerWaalsContact O-CG 3.31Å; V313-L317 WeakPolarHBondContact O-CG 3.39Å; V313-L317 PolarHBondContact O-N 3.29Å; V313-L317 VanDerWaalsContact O-N 3.08Å; E314-L317 PolarHBondContact O-N 2.94Å; K315-L317 VanDerWaalsContact C-N 3.32Å; K315-L317 PolarHBondContact O-N 2.85Å; L317-F533 HydrophobicContact CD2-CE1 3.8Å; L317-F533 HydrophobicContact CD2-CZ 4.04Å; L317-F533 HydrophobicContact CG-CE1 4.28Å |
| 318 | L | 82.5 | Confident | 74.5 | Confident | 15 Ų | 15 | 72 Ų | 72 | 8% | 0.079 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -100.5 | -23.3 | -173 | -63.4 | 177.9 | 0 | 0 | 0 | 114 | F284 T291 I293 E314 H333 | F284-L318 HydrophobicContact CD1-CD2 4.34Å; F284-L318 HydrophobicContact CE1-CD2 4.45Å; T291-L318 WeakPolarHBondContact O-CD2 3.09Å; I293-L318 HydrophobicContact CD1-CG 4.47Å; I293-L318 HydrophobicContact CG1-CD1 4.44Å; I293-L318 HydrophobicContact CG1-CD2 4.08Å; I293-L318 HydrophobicContact CG1-CG 4.41Å; E314-L318 WeakPolarHBondContact O-CB 2.88Å; E314-L318 WeakPolarHBondContact O-CG 3.49Å; E314-L318 PolarHBondContact O-N 2.77Å; L318-H333 WeakPolarHBondContact O-CB 3.27Å; L318-H333 PolarHBondContact O-N 3.39Å |
| 319 | Y | 80.6 | Confident | 74.9 | Confident | 80 Ų | 80 | 76.3 Ų | 76.3 | 31% | 0.314 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 145.9 | -175.7 | -58.4 | -91.1 | 0 | 0 | 0 | 111.8 | K315 Q332 | K315-Y319 WeakPolarHBondContact O-CA 3.25Å; K315-Y319 WeakPolarHBondContact O-CB 3.28Å; K315-Y319 PolarHBondContact O-N 3.39Å; K315-Y319 VanDerWaalsContact O-O 3.09Å; Y319-Q332 HydrophobicContact CD1-CB 4Å; Y319-Q332 HydrophobicContact CD1-CG 4.27Å; Y319-Q332 HydrophobicContact CE1-CB 3.96Å; Y319-Q332 HydrophobicContact CE1-CG 4.01Å |
| 320 | R | 78.1 | Confident | 74.9 | Confident | 106 Ų | 106 | 75.6 Ų | 75.6 | 40% | 0.4 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 128.2 | 171.7 | 177.9 | 176.7 | 175.2 | -178.1 | -0.2 | 110.6 | V322 K331 H333 | R320-V322 HydrophobicContact CG-CG2 3.98Å; R320-V322 PolarHBondContact O-N 3.42Å; R320-K331 PolarHBondContact N-O 3.06Å; R320-K331 PolarHBondContact O-N 3.01Å; R320-H333 VanDerWaalsContact CB-CE1 3.47Å; R320-H333 WeakPolarHBondContact CB-CE1 3.47Å |
| 321 | T | 75.3 | Confident | 75.1 | Confident | 37 Ų | 37 | 78.6 Ų | 78.6 | 23% | 0.227 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 112.7 | 173.1 | -48 | 0 | 0 | 0 | 0 | 109.7 | V328 D532 | T321-V328 HydrophobicContact CG2-CG1 3.07Å; T321-D532 WeakPolarHBondContact CB-OD1 3.35Å; T321-D532 PolarHBondContact N-OD2 2.96Å; T321-D532 PolarHBondContact OG1-OD1 2.97Å |
| 322 | V | 72.2 | Confident | 75.3 | Confident | 48 Ų | 48 | 75.2 Ų | 75.2 | 29% | 0.291 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 125.7 | 176.9 | -174.4 | 0 | 0 | 0 | 0 | 109.4 | R320 I329 K331 | R320-V322 HydrophobicContact CG-CG2 3.98Å; R320-V322 PolarHBondContact O-N 3.42Å; V322-I329 PolarHBondContact N-O 3.33Å; V322-I329 PolarHBondContact O-N 3.46Å; V322-K331 HydrophobicContact CG2-CB 4.4Å |
| 323 | A | 65.6 | Low | 75.3 | Confident | 46 Ų | 46 | 71.7 Ų | 71.7 | 38% | 0.38 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 118.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110 | D327 I559 | A323-D327 WeakPolarHBondContact CA-O 3.21Å; A323-I559 HydrophobicContact CB-CG2 3.46Å; A323-I559 VanDerWaalsContact CB-CG2 3.46Å |
| 324 | T | 64.1 | Low | 75.4 | Confident | 92 Ų | 92 | 74.7 Ų | 74.7 | 56% | 0.564 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 91.8 | 176 | -50.1 | 0 | 0 | 0 | 0 | 107.7 | R326 D327 | T324-R326 PolarHBondContact O-N 2.89Å; T324-D327 PolarHBondContact N-O 3.33Å; T324-D327 PolarHBondContact O-N 2.89Å |
| 325 | G | 67.9 | Low | 75.3 | Confident | 69 Ų | 69 | 73.9 Ų | 73.9 | 71% | 0.711 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | -107.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 326 | R | 60.5 | Low | 75.2 | Confident | 239 Ų | 239 | 76.3 Ų | 76.3 | 90% | 0.902 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -15.1 | 178.5 | -67.8 | -174 | -175.7 | -177.6 | 2.6 | 113.8 | T324 | T324-R326 PolarHBondContact O-N 2.89Š|
| 327 | D | 64.7 | Low | 75.1 | Confident | 116 Ų | 116 | 78.9 Ų | 78.9 | 62% | 0.62 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 144.3 | -176.2 | -63.4 | -35.2 | 0 | 0 | 0 | 111.8 | A323 T324 | A323-D327 WeakPolarHBondContact CA-O 3.21Å; T324-D327 PolarHBondContact N-O 3.33Å; T324-D327 PolarHBondContact O-N 2.89Å |
| 328 | V | 72.5 | Confident | 75.1 | Confident | 73 Ų | 73 | 78.7 Ų | 78.7 | 44% | 0.442 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 111.5 | -176.4 | -178.2 | 0 | 0 | 0 | 0 | 107.8 | T321 I559 | T321-V328 HydrophobicContact CG2-CG1 3.07Å; V328-I559 HydrophobicContact CG1-CD1 4.18Å; V328-I559 HydrophobicContact CG2-CD1 4.06Å; V328-I559 HydrophobicContact CG2-CG2 4.1Å |
| 329 | I | 78.5 | Confident | 75 | Confident | 100 Ų | 100 | 79.8 Ų | 79.8 | 51% | 0.513 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 132.5 | -177.1 | -58.1 | 170.7 | 0 | 0 | 0 | 108.9 | V322 | V322-I329 PolarHBondContact N-O 3.33Å; V322-I329 PolarHBondContact O-N 3.46Å |
| 330 | E | 77.1 | Confident | 74.9 | Confident | 117 Ų | 117 | 79.7 Ų | 79.7 | 55% | 0.547 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 115.9 | 172.6 | -65.3 | -177.4 | 169.7 | 0 | 0 | 109.5 | ||
| 331 | K | 81.7 | Confident | 74.9 | Confident | 112 Ų | 112 | 74.7 Ų | 74.7 | 49% | 0.487 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 126.6 | 174.7 | -175.1 | -170.5 | 174.8 | -160.9 | 0 | 109 | R320 V322 E337 | R320-K331 PolarHBondContact N-O 3.06Å; R320-K331 PolarHBondContact O-N 3.01Å; V322-K331 HydrophobicContact CG2-CB 4.4Å; K331-E337 IonicContact NZ-OE1 3.46Å |
| 332 | Q | 80.6 | Confident | 75.2 | Confident | 58 Ų | 58 | 74.5 Ų | 74.5 | 27% | 0.271 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 142.4 | 174.3 | -169.8 | 167.5 | 1.4 | 0 | 0 | 111.9 | T291 Y319 | T291-Q332 PolarHBondContact OG1-NE2 3.27Å; T291-Q332 VanDerWaalsContact OG1-NE2 3.13Å; Y319-Q332 HydrophobicContact CD1-CB 4Å; Y319-Q332 HydrophobicContact CD1-CG 4.27Å; Y319-Q332 HydrophobicContact CE1-CB 3.96Å; Y319-Q332 HydrophobicContact CE1-CG 4.01Å |
| 333 | H | 79.7 | Confident | 75.6 | Confident | 6 Ų | 6 | 73.6 Ų | 73.6 | 3% | 0.028 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -80.2 | 144.9 | 176.4 | -75.9 | -53.1 | 0 | 0 | 0 | 112.5 | T291 L318 R320 E337 A338 F530 | T291-H333 WeakPolarHBondContact CG2-O 3.18Å; T291-H333 PolarHBondContact OG1-O 3.47Å; L318-H333 WeakPolarHBondContact O-CB 3.27Å; L318-H333 PolarHBondContact O-N 3.39Å; R320-H333 VanDerWaalsContact CB-CE1 3.47Å; R320-H333 WeakPolarHBondContact CB-CE1 3.47Å; H333-E337 HydrophobicContact CB-CB 4.11Å; H333-E337 IonicContact CG-OE2 3.92Å; H333-E337 IonicContact ND1-OE2 3.12Å; H333-E337 PolarHBondContact ND1-OE2 3.22Å; H333-A338 HydrophobicContact CB-CB 4.15Å; H333-F530 AromaticContact CE1-CD2 3.81Å; H333-F530 AromaticContact CE1-CE2 3.27Å; H333-F530 WeakPolarHBondContact CE1-CE2 3.43Å; H333-F530 AromaticContact CE1-CZ 3.64Å; H333-F530 AromaticContact NE2-CD2 3.64Å; H333-F530 AromaticContact NE2-CE2 3.48Å; H333-F530 WeakPolarHBondContact NE2-CE2 3.48Å |
| 334 | T | 80.8 | Confident | 76.2 | Confident | 71 Ų | 71 | 71.8 Ų | 71.8 | 44% | 0.436 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 164.3 | 162.9 | 64.7 | 0 | 0 | 0 | 0 | 110.5 | Q336 E337 A338 | T334-Q336 PolarHBondContact O-N 3.4Å; T334-E337 PolarHBondContact O-N 3.31Å; T334-E337 VanDerWaalsContact O-N 3.11Å; T334-E337 WeakPolarHBondContact OG1-CB 3.21Å; T334-E337 VanDerWaalsContact OG1-CG 3.31Å; T334-E337 WeakPolarHBondContact OG1-CG 3.4Å; T334-E337 PolarHBondContact OG1-N 3.24Å; T334-A338 WeakPolarHBondContact O-CB 3.41Å; T334-A338 PolarHBondContact O-N 3.03Å |
| 335 | T | 79 | Confident | 77 | Confident | 45 Ų | 45 | 67.8 Ų | 67.8 | 28% | 0.276 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57.8 | -37.1 | 178.4 | 46.6 | 0 | 0 | 0 | 0 | 112.7 | V286 T291 S339 | V286-T335 HydrophobicContact CG2-CG2 3.35Å; T291-T335 HydrophobicContact CG2-CG2 3.76Å; T335-S339 WeakPolarHBondContact O-CB 3.43Å; T335-S339 PolarHBondContact O-N 2.57Å; T335-S339 PolarHBondContact O-OG 3.47Å |
| 336 | Q | 77.9 | Confident | 77.8 | Confident | 161 Ų | 161 | 64.5 Ų | 64.5 | 75% | 0.752 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -68.4 | -44.3 | 175.6 | -67.6 | -176.4 | -15.4 | 0 | 0 | 111.6 | T334 S339 Y340 | T334-Q336 PolarHBondContact O-N 3.4Å; Q336-S339 PolarHBondContact O-N 3.3Å; Q336-Y340 VanDerWaalsContact O-CB 3.31Å; Q336-Y340 WeakPolarHBondContact O-CB 3.38Å; Q336-Y340 PolarHBondContact O-N 3.2Å |
| 337 | E | 77.6 | Confident | 78.7 | Confident | 61 Ų | 61 | 55.3 Ų | 55.3 | 29% | 0.285 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.5 | -39 | 176.8 | -73.6 | -179.7 | -177.4 | 0 | 0 | 112.3 | K331 H333 T334 Y340 G341 | K331-E337 IonicContact NZ-OE1 3.46Å; H333-E337 HydrophobicContact CB-CB 4.11Å; H333-E337 IonicContact CG-OE2 3.92Å; H333-E337 IonicContact ND1-OE2 3.12Å; H333-E337 PolarHBondContact ND1-OE2 3.22Å; T334-E337 PolarHBondContact O-N 3.31Å; T334-E337 VanDerWaalsContact O-N 3.11Å; T334-E337 WeakPolarHBondContact OG1-CB 3.21Å; T334-E337 VanDerWaalsContact OG1-CG 3.31Å; T334-E337 WeakPolarHBondContact OG1-CG 3.4Å; T334-E337 PolarHBondContact OG1-N 3.24Å; E337-Y340 PolarHBondContact O-N 3.48Å; E337-G341 PolarHBondContact O-N 2.92Å |
| 338 | A | 79.7 | Confident | 79.4 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.008 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.8 | -42.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F284 H333 T334 G341 R342 | F284-A338 HydrophobicContact CD1-CB 4Å; F284-A338 HydrophobicContact CD2-CB 4.09Å; F284-A338 HydrophobicContact CE1-CB 3.99Å; F284-A338 HydrophobicContact CE2-CB 4.09Å; F284-A338 WeakPolarHBondContact CE2-O 3.33Å; F284-A338 HydrophobicContact CG-CB 4.04Å; F284-A338 HydrophobicContact CZ-CB 4.04Å; H333-A338 HydrophobicContact CB-CB 4.15Å; T334-A338 WeakPolarHBondContact O-CB 3.41Å; T334-A338 PolarHBondContact O-N 3.03Å; A338-G341 PolarHBondContact O-N 3.43Å; A338-R342 WeakPolarHBondContact O-CB 3.33Å; A338-R342 PolarHBondContact O-N 3.16Å |
| 339 | S | 80.9 | Confident | 79.9 | Confident | 38 Ų | 38 | 46.9 Ų | 46.9 | 27% | 0.266 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62 | -43.5 | 173.8 | -60.8 | 0 | 0 | 0 | 0 | 111.5 | T335 Q336 D343 | T335-S339 WeakPolarHBondContact O-CB 3.43Å; T335-S339 PolarHBondContact O-N 2.57Å; T335-S339 PolarHBondContact O-OG 3.47Å; Q336-S339 PolarHBondContact O-N 3.3Å; S339-D343 VanDerWaalsContact O-CB 3.32Å; S339-D343 WeakPolarHBondContact O-CB 3.42Å; S339-D343 VanDerWaalsContact O-CG 3.28Å; S339-D343 PolarHBondContact O-N 2.77Å |
| 340 | Y | 77.8 | Confident | 80.2 | Confident | 78 Ų | 78 | 42.2 Ų | 42.2 | 31% | 0.306 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.6 | -42.1 | 174.4 | -179 | -91.5 | 0 | 0 | 0 | 111.9 | Q336 E337 D343 A344 | Q336-Y340 VanDerWaalsContact O-CB 3.31Å; Q336-Y340 WeakPolarHBondContact O-CB 3.38Å; Q336-Y340 PolarHBondContact O-N 3.2Å; E337-Y340 PolarHBondContact O-N 3.48Å; Y340-D343 PolarHBondContact O-N 3.44Å; Y340-A344 HydrophobicContact CE1-CB 4.44Å; Y340-A344 VanDerWaalsContact O-CB 3.29Å; Y340-A344 WeakPolarHBondContact O-CB 3.49Å; Y340-A344 PolarHBondContact O-N 2.99Å |
| 341 | G | 78.3 | Confident | 80.4 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.5 | -45.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E337 A338 D343 A344 L345 | E337-G341 PolarHBondContact O-N 2.92Å; A338-G341 PolarHBondContact O-N 3.43Å; G341-D343 VanDerWaalsContact C-N 3.33Å; G341-D343 PolarHBondContact O-N 3.44Å; G341-A344 PolarHBondContact O-N 2.72Å; G341-L345 WeakPolarHBondContact O-CB 3.46Å; G341-L345 PolarHBondContact O-N 2.89Å |
| 342 | R | 83.1 | Confident | 80.3 | Confident | 32 Ų | 32 | 37.2 Ų | 37.2 | 12% | 0.121 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -55.9 | -48.2 | 172.5 | 176.2 | -157.8 | 75.2 | -175.5 | -3.6 | 111.4 | L279 L282 F284 A338 L345 A346 | L279-R342 VanDerWaalsContact O-CD 3.24Å; L279-R342 WeakPolarHBondContact O-CD 3Å; L282-R342 PolarHBondContact O-NH1 2.7Å; F284-R342 HydrophobicContact CE2-CB 4.03Å; F284-R342 HydrophobicContact CZ-CB 4.2Å; A338-R342 WeakPolarHBondContact O-CB 3.33Å; A338-R342 PolarHBondContact O-N 3.16Å; R342-L345 WeakPolarHBondContact O-CB 3.24Å; R342-L345 PolarHBondContact O-N 3.37Å; R342-A346 PolarHBondContact O-N 3.25Å |
| 343 | D | 79.1 | Confident | 80.6 | Confident | 30 Ų | 30 | 34.4 Ų | 34.4 | 16% | 0.16 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.2 | -45.5 | -178.8 | -80.9 | 1.9 | 0 | 0 | 0 | 111.5 | I194 Y232 S339 Y340 G341 L345 A346 K347 | I194-D343 VanDerWaalsContact CD1-CA 3.47Å; I194-D343 HydrophobicContact CD1-CB 3.24Å; I194-D343 VanDerWaalsContact CD1-O 3.28Å; I194-D343 WeakPolarHBondContact CD1-O 3.48Å; Y232-D343 PolarHBondContact OH-OD1 3.02Å; S339-D343 VanDerWaalsContact O-CB 3.32Å; S339-D343 WeakPolarHBondContact O-CB 3.42Å; S339-D343 VanDerWaalsContact O-CG 3.28Å; S339-D343 PolarHBondContact O-N 2.77Å; Y340-D343 PolarHBondContact O-N 3.44Å; G341-D343 VanDerWaalsContact C-N 3.33Å; G341-D343 PolarHBondContact O-N 3.44Å; D343-L345 VanDerWaalsContact C-N 3.29Å; D343-L345 PolarHBondContact O-N 2.82Å; D343-A346 PolarHBondContact O-N 3.24Å; D343-K347 WeakPolarHBondContact O-CB 3.44Å; D343-K347 WeakPolarHBondContact O-CG 3.45Å; D343-K347 PolarHBondContact O-N 2.94Å |
| 344 | A | 78.8 | Confident | 80.9 | Confident | 7 Ų | 7 | 34.1 Ų | 34.1 | 6% | 0.058 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.8 | -39 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y340 G341 K347 A348 L529 | Y340-A344 HydrophobicContact CE1-CB 4.44Å; Y340-A344 VanDerWaalsContact O-CB 3.29Å; Y340-A344 WeakPolarHBondContact O-CB 3.49Å; Y340-A344 PolarHBondContact O-N 2.99Å; G341-A344 PolarHBondContact O-N 2.72Å; A344-K347 WeakPolarHBondContact O-CB 3.41Å; A344-A348 VanDerWaalsContact O-CB 3.27Å; A344-A348 WeakPolarHBondContact O-CB 3.3Å; A344-A348 PolarHBondContact O-N 2.91Å; A344-L529 HydrophobicContact CB-CD1 4.28Å |
| 345 | L | 81.8 | Confident | 81 | Confident | 8 Ų | 8 | 33 Ų | 33 | 4% | 0.042 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.1 | -49.1 | 175.1 | -179 | 62 | 0 | 0 | 0 | 111.8 | L279 G341 R342 D343 K347 A348 M349 L529 F533 L537 | L279-L345 HydrophobicContact CD1-CD2 4.1Å; L279-L345 HydrophobicContact CD1-CG 4.24Å; L279-L345 HydrophobicContact CD2-CD2 4.2Å; G341-L345 WeakPolarHBondContact O-CB 3.46Å; G341-L345 PolarHBondContact O-N 2.89Å; R342-L345 WeakPolarHBondContact O-CB 3.24Å; R342-L345 PolarHBondContact O-N 3.37Å; D343-L345 VanDerWaalsContact C-N 3.29Å; D343-L345 PolarHBondContact O-N 2.82Å; L345-K347 VanDerWaalsContact C-N 3.31Å; L345-K347 PolarHBondContact O-N 3.34Å; L345-A348 PolarHBondContact O-N 2.84Å; L345-M349 HydrophobicContact CD1-CG 4.1Å; L345-M349 HydrophobicContact CD1-SD 4.24Å; L345-M349 HydrophobicContact CG-CG 4.41Å; L345-M349 HydrophobicContact CG-SD 4.17Å; L345-M349 WeakPolarHBondContact O-CB 3.2Å; L345-M349 VanDerWaalsContact O-CG 3.3Å; L345-M349 WeakPolarHBondContact O-CG 2.9Å; L345-M349 PolarHBondContact O-N 2.92Å; L345-L529 HydrophobicContact CB-CD1 4.36Å; L345-L529 HydrophobicContact CD1-CD1 4.38Å; L345-F533 HydrophobicContact CD1-CB 3.87Å; L345-F533 HydrophobicContact CD1-CD1 4.14Å; L345-F533 HydrophobicContact CD1-CG 4.02Å; L345-F533 HydrophobicContact CD2-CD1 3.78Å; L345-F533 HydrophobicContact CD2-CE1 3.96Å; L345-F533 HydrophobicContact CD2-CG 4.43Å; L345-F533 HydrophobicContact CG-CD1 4.39Å; L345-L537 HydrophobicContact CD1-CD1 3.9Å |
| 346 | A | 83.9 | Confident | 81.3 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.6 | -43.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y232 I276 L279 R342 D343 Y350 | Y232-A346 HydrophobicContact CE2-CB 3.81Å; I276-A346 HydrophobicContact CG2-CB 4.27Å; L279-A346 HydrophobicContact CD1-CB 4.5Å; R342-A346 PolarHBondContact O-N 3.25Å; D343-A346 PolarHBondContact O-N 3.24Å; A346-Y350 PolarHBondContact O-N 3.47Å |
| 347 | K | 79.5 | Confident | 81.8 | Confident | 47 Ų | 47 | 25.1 Ų | 25.1 | 20% | 0.204 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57.7 | -54.6 | 173.8 | -79.3 | 166.3 | 168.2 | 166.4 | 0 | 112.2 | Q190 I194 D343 A344 L345 M349 Y350 E351 | Q190-K347 VanDerWaalsContact C-CE 3.47Å; Q190-K347 HydrophobicContact CB-CB 4.01Å; Q190-K347 HydrophobicContact CB-CD 3.86Å; Q190-K347 HydrophobicContact CB-CG 3.68Å; Q190-K347 HydrophobicContact CG-CB 4.06Å; Q190-K347 HydrophobicContact CG-CG 4.3Å; Q190-K347 WeakPolarHBondContact O-CE 3.44Å; Q190-K347 WeakPolarHBondContact O-CG 3.33Å; I194-K347 HydrophobicContact CD1-CD 3.61Å; I194-K347 HydrophobicContact CD1-CG 3.7Å; I194-K347 HydrophobicContact CG1-CD 4.31Å; I194-K347 HydrophobicContact CG1-CG 4Å; D343-K347 WeakPolarHBondContact O-CB 3.44Å; D343-K347 WeakPolarHBondContact O-CG 3.45Å; D343-K347 PolarHBondContact O-N 2.94Å; A344-K347 WeakPolarHBondContact O-CB 3.41Å; L345-K347 VanDerWaalsContact C-N 3.31Å; L345-K347 PolarHBondContact O-N 3.34Å; K347-M349 PolarHBondContact O-N 2.9Å; K347-Y350 PolarHBondContact O-N 3.06Å; K347-E351 WeakPolarHBondContact O-CB 3.34Å; K347-E351 PolarHBondContact O-N 3.32Å |
| 348 | A | 79.1 | Confident | 82.2 | Confident | 11 Ų | 11 | 22.4 Ų | 22.4 | 9% | 0.091 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -68.2 | -35.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A344 L345 R352 L529 W552 | A344-A348 VanDerWaalsContact O-CB 3.27Å; A344-A348 WeakPolarHBondContact O-CB 3.3Å; A344-A348 PolarHBondContact O-N 2.91Å; L345-A348 PolarHBondContact O-N 2.84Å; A348-R352 WeakPolarHBondContact O-CB 3.49Å; A348-R352 VanDerWaalsContact O-CG 3.24Å; A348-R352 WeakPolarHBondContact O-CG 3.43Å; A348-R352 PolarHBondContact O-N 3.42Å; A348-L529 HydrophobicContact CB-CD1 4.21Å; A348-L529 HydrophobicContact CB-CD2 3.86Å; A348-L529 HydrophobicContact CB-CG 4.49Å; A348-W552 HydrophobicContact CB-CH2 3.74Å |
| 349 | M | 83.2 | Confident | 82.5 | Confident | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.8 | -46.1 | 172.6 | -75.6 | -172.7 | 66.9 | 0 | 0 | 111.8 | I272 T275 I276 L279 L306 L345 K347 L353 L537 W552 | I272-M349 HydrophobicContact CG1-CE 4.49Å; I272-M349 HydrophobicContact CG2-CE 3.85Å; T275-M349 HydrophobicContact CG2-CE 4.13Å; T275-M349 HydrophobicContact CG2-SD 4.46Å; I276-M349 HydrophobicContact CD1-CB 4.15Å; I276-M349 HydrophobicContact CG1-CB 4.18Å; L279-M349 HydrophobicContact CD1-SD 4.12Å; L306-M349 HydrophobicContact CD2-CE 4.12Å; L345-M349 HydrophobicContact CD1-CG 4.1Å; L345-M349 HydrophobicContact CD1-SD 4.24Å; L345-M349 HydrophobicContact CG-CG 4.41Å; L345-M349 HydrophobicContact CG-SD 4.17Å; L345-M349 WeakPolarHBondContact O-CB 3.2Å; L345-M349 VanDerWaalsContact O-CG 3.3Å; L345-M349 WeakPolarHBondContact O-CG 2.9Å; L345-M349 PolarHBondContact O-N 2.92Å; K347-M349 PolarHBondContact O-N 2.9Å; M349-L353 WeakPolarHBondContact O-CB 3.23Å; M349-L353 PolarHBondContact O-N 3.28Å; M349-L537 HydrophobicContact CG-CD1 4.12Å; M349-L537 HydrophobicContact SD-CD1 4.45Å; M349-W552 HydrophobicContact CG-CZ2 4.24Å |
| 350 | Y | 85.8 | Confident | 82.8 | Confident | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.008 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.3 | -42.4 | 179.4 | -167.5 | -94 | 0 | 0 | 0 | 112.4 | F148 K189 V193 F203 S205 F206 L273 I276 A346 K347 L353 F354 | F148-Y350 VanDerWaalsContact C-OH 3.25Å; F148-Y350 VanDerWaalsContact CA-OH 3.27Å; F148-Y350 WeakPolarHBondContact CA-OH 3.29Å; F148-Y350 HydrophobicContact CD1-CE2 4.49Å; F148-Y350 PolarHBondContact O-OH 3.49Å; K189-Y350 HydrophobicContact CD-CE1 4.12Å; V193-Y350 HydrophobicContact CG2-CD1 3.75Å; V193-Y350 HydrophobicContact CG2-CD2 4.27Å; V193-Y350 HydrophobicContact CG2-CE1 4.39Å; V193-Y350 HydrophobicContact CG2-CG 3.69Å; F203-Y350 VanDerWaalsContact CB-OH 3.27Å; F203-Y350 WeakPolarHBondContact CB-OH 3.36Å; F203-Y350 HydrophobicContact CD2-CD1 4.4Å; F203-Y350 AromaticContact CD2-CE1 3.59Å; F203-Y350 HydrophobicContact CD2-CE1 3.59Å; F203-Y350 HydrophobicContact CD2-CE2 4.31Å; F203-Y350 AromaticContact CD2-CZ 3.54Å; F203-Y350 WeakPolarHBondContact CD2-OH 3.43Å; F203-Y350 HydrophobicContact CE2-CD1 4.27Å; F203-Y350 AromaticContact CE2-CE1 3.66Å; F203-Y350 HydrophobicContact CE2-CE1 3.66Å; F203-Y350 HydrophobicContact CG-CE1 4.07Å; F203-Y350 AromaticContact CG-CZ 3.74Å; F203-Y350 WeakPolarHBondContact CG-OH 3.47Å; F203-Y350 HydrophobicContact CZ-CE1 4.19Å; S205-Y350 PolarHBondContact OG-OH 3.19Å; F206-Y350 HydrophobicContact CE2-CD2 4.24Å; F206-Y350 AromaticContact CE2-CE2 3.86Å; F206-Y350 HydrophobicContact CE2-CE2 3.86Å; F206-Y350 AromaticContact CZ-CD2 3.83Å; F206-Y350 HydrophobicContact CZ-CD2 3.83Å; F206-Y350 AromaticContact CZ-CE2 3.82Å; F206-Y350 HydrophobicContact CZ-CE2 3.82Å; L273-Y350 HydrophobicContact CD2-CD2 4.07Å; L273-Y350 HydrophobicContact CD2-CE2 3.77Å; I276-Y350 HydrophobicContact CD1-CD2 4Å; I276-Y350 HydrophobicContact CD1-CG 4.48Å; A346-Y350 PolarHBondContact O-N 3.47Å; K347-Y350 PolarHBondContact O-N 3.06Å; Y350-L353 WeakPolarHBondContact O-CB 3.28Å; Y350-L353 PolarHBondContact O-N 3.45Å; Y350-F354 PolarHBondContact O-N 3.22Å |
| 351 | E | 79.4 | Confident | 83.1 | Confident | 44 Ų | 44 | 20.9 Ų | 20.9 | 21% | 0.206 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.2 | -51.9 | 178.4 | 179.5 | -179.1 | -173.6 | 0 | 0 | 111.7 | L186 Q190 K347 L353 F354 C355 | L186-E351 HydrophobicContact CB-CG 4.1Å; L186-E351 HydrophobicContact CD1-CG 4.19Å; L186-E351 HydrophobicContact CD2-CG 4.27Å; L186-E351 HydrophobicContact CG-CG 4.43Å; Q190-E351 PolarHBondContact NE2-OE2 3.42Å; K347-E351 WeakPolarHBondContact O-CB 3.34Å; K347-E351 PolarHBondContact O-N 3.32Å; E351-L353 PolarHBondContact O-N 3.05Å; E351-F354 WeakPolarHBondContact O-CB 3.36Å; E351-F354 PolarHBondContact O-N 3.49Å; E351-F354 VanDerWaalsContact O-N 3.1Å; E351-C355 PolarHBondContact O-N 2.61Å; E351-C355 PolarHBondContact O-SG 2.83Å |
| 352 | R | 81.1 | Confident | 83.5 | Confident | 79 Ų | 79 | 21.4 Ų | 21.4 | 30% | 0.298 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -63.2 | -34.4 | 179 | -67.1 | -70.1 | -179.4 | 145.8 | 4.2 | 111.2 | A348 F354 C355 W356 M551 W552 E554 | A348-R352 WeakPolarHBondContact O-CB 3.49Å; A348-R352 VanDerWaalsContact O-CG 3.24Å; A348-R352 WeakPolarHBondContact O-CG 3.43Å; A348-R352 PolarHBondContact O-N 3.42Å; R352-F354 VanDerWaalsContact C-N 3.35Å; R352-C355 PolarHBondContact O-N 3.46Å; R352-W356 VanDerWaalsContact O-CB 3.26Å; R352-W356 WeakPolarHBondContact O-CB 3.22Å; R352-W356 PolarHBondContact O-N 3.03Å; R352-M551 HydrophobicContact CB-CB 4.4Å; R352-M551 HydrophobicContact CB-CE 3.77Å; R352-W552 HydrophobicContact CG-CH2 4.13Å; R352-W552 HydrophobicContact CG-CZ2 4.23Å; R352-W552 HydrophobicContact CG-CZ3 4.39Å; R352-E554 IonicContact CZ-OE1 2.68Å; R352-E554 IonicContact NH1-OE1 2.78Å; R352-E554 IonicContact NH2-OE1 3.08Å; R352-E554 PolarHBondContact NH2-OE1 3.44Å |
| 353 | L | 86.1 | Confident | 83.5 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.8 | -46 | 174 | 174.8 | 64.9 | 0 | 0 | 0 | 110.3 | F148 V269 I272 L273 M349 Y350 E351 W356 I357 M551 | F148-L353 HydrophobicContact CE1-CD2 4.13Å; V269-L353 HydrophobicContact CB-CD1 4.43Å; V269-L353 HydrophobicContact CG1-CD1 4.28Å; V269-L353 HydrophobicContact CG1-CD2 4.3Å; V269-L353 HydrophobicContact CG2-CD1 4.03Å; I272-L353 HydrophobicContact CB-CD2 4.27Å; I272-L353 HydrophobicContact CD1-CD1 3.94Å; I272-L353 HydrophobicContact CG2-CB 4.39Å; I272-L353 HydrophobicContact CG2-CD2 3.8Å; I272-L353 HydrophobicContact CG2-CG 4.48Å; L273-L353 HydrophobicContact CD2-CD2 4.14Å; L273-L353 HydrophobicContact CG-CD2 4.36Å; M349-L353 WeakPolarHBondContact O-CB 3.23Å; M349-L353 PolarHBondContact O-N 3.28Å; Y350-L353 WeakPolarHBondContact O-CB 3.28Å; Y350-L353 PolarHBondContact O-N 3.45Å; E351-L353 PolarHBondContact O-N 3.05Å; L353-W356 PolarHBondContact O-N 3.39Å; L353-I357 HydrophobicContact CD1-CD1 4.32Å; L353-I357 HydrophobicContact CG-CD1 4.16Å; L353-I357 VanDerWaalsContact O-CG1 3.31Å; L353-I357 WeakPolarHBondContact O-CG1 3.36Å; L353-I357 PolarHBondContact O-N 3.14Å; L353-M551 HydrophobicContact CB-CE 3.96Å; L353-M551 VanDerWaalsContact N-CE 3.32Å |
| 354 | F | 85.4 | Confident | 83.5 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.2 | -44.5 | 177.8 | -176.4 | -98.1 | 0 | 0 | 0 | 112.2 | L145 F148 F162 N183 L186 Y350 E351 R352 W356 I357 V358 | L145-F354 HydrophobicContact CD2-CE2 3.84Å; L145-F354 HydrophobicContact CD2-CZ 3.87Å; F148-F354 HydrophobicContact CB-CD2 3.72Å; F148-F354 HydrophobicContact CB-CE2 4.1Å; F162-F354 HydrophobicContact CD1-CZ 4.48Å; F162-F354 HydrophobicContact CD2-CE1 4.34Å; F162-F354 AromaticContact CD2-CZ 3.97Å; F162-F354 HydrophobicContact CD2-CZ 3.97Å; F162-F354 HydrophobicContact CE1-CZ 4.5Å; F162-F354 AromaticContact CE2-CZ 3.96Å; F162-F354 HydrophobicContact CE2-CZ 3.96Å; F162-F354 HydrophobicContact CG-CZ 4.24Å; F162-F354 HydrophobicContact CZ-CZ 4.25Å; N183-F354 HydrophobicContact CB-CE1 3.96Å; L186-F354 HydrophobicContact CD1-CD1 4.28Å; L186-F354 HydrophobicContact CD2-CB 4.27Å; L186-F354 HydrophobicContact CD2-CD1 3.37Å; L186-F354 HydrophobicContact CD2-CE1 3.98Å; L186-F354 HydrophobicContact CD2-CG 4.07Å; L186-F354 HydrophobicContact CG-CD1 4.25Å; Y350-F354 PolarHBondContact O-N 3.22Å; E351-F354 WeakPolarHBondContact O-CB 3.36Å; E351-F354 PolarHBondContact O-N 3.49Å; E351-F354 VanDerWaalsContact O-N 3.1Å; R352-F354 VanDerWaalsContact C-N 3.35Å; F354-W356 VanDerWaalsContact C-N 3.28Å; F354-W356 PolarHBondContact O-N 2.93Å; F354-I357 PolarHBondContact O-N 2.87Å; F354-V358 HydrophobicContact CD1-CG2 4.2Å; F354-V358 HydrophobicContact CE1-CG2 3.82Å; F354-V358 HydrophobicContact CZ-CG2 3.99Å; F354-V358 WeakPolarHBondContact O-CG2 3.44Å; F354-V358 PolarHBondContact O-N 3.16Å |
| 355 | C | 83.4 | Confident | 83.4 | Confident | 46 Ų | 46 | 24.5 Ų | 24.5 | 31% | 0.311 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -60 | -39.7 | 174.4 | -70.2 | 0 | 0 | 0 | 0 | 111.8 | L186 E351 R352 V358 G359 | L186-C355 WeakPolarHBondContact CD1-SG 3.29Å; E351-C355 PolarHBondContact O-N 2.61Å; E351-C355 PolarHBondContact O-SG 2.83Å; R352-C355 PolarHBondContact O-N 3.46Å; C355-V358 PolarHBondContact O-N 3.49Å; C355-G359 PolarHBondContact O-N 3.47Å |
| 356 | W | 86.4 | Confident | 83 | Confident | 41 Ų | 41 | 29.7 Ų | 29.7 | 16% | 0.155 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.9 | -42.3 | 175.9 | 179 | 84.1 | 0 | 0 | 0 | 112.1 | F261 E265 V269 R352 L353 F354 V358 G359 R360 V547 M551 | F261-W356 HydrophobicContact CD1-CH2 4.15Å; F261-W356 HydrophobicContact CD1-CZ3 4.3Å; F261-W356 AromaticContact CE1-CH2 3.91Å; F261-W356 HydrophobicContact CE1-CH2 3.91Å; F261-W356 AromaticContact CE1-CZ3 3.77Å; F261-W356 HydrophobicContact CE1-CZ3 3.77Å; E265-W356 HydrophobicContact CB-CH2 4.02Å; E265-W356 HydrophobicContact CG-CH2 3.85Å; E265-W356 HydrophobicContact CG-CZ2 4.2Å; V269-W356 HydrophobicContact CG2-CZ3 4.02Å; R352-W356 VanDerWaalsContact O-CB 3.26Å; R352-W356 WeakPolarHBondContact O-CB 3.22Å; R352-W356 PolarHBondContact O-N 3.03Å; L353-W356 PolarHBondContact O-N 3.39Å; F354-W356 VanDerWaalsContact C-N 3.28Å; F354-W356 PolarHBondContact O-N 2.93Å; W356-V358 VanDerWaalsContact C-N 3.32Å; W356-V358 PolarHBondContact O-N 3.43Å; W356-G359 PolarHBondContact O-N 2.94Å; W356-R360 HydrophobicContact CH2-CG 4.37Å; W356-R360 HydrophobicContact CZ2-CB 4.41Å; W356-R360 HydrophobicContact CZ2-CG 4.3Å; W356-R360 VanDerWaalsContact O-CB 3.32Å; W356-R360 WeakPolarHBondContact O-CB 3.4Å; W356-R360 PolarHBondContact O-N 2.9Å; W356-V547 HydrophobicContact CD2-CG1 3.81Å; W356-V547 HydrophobicContact CE3-CG1 4Å; W356-V547 HydrophobicContact CG-CG1 4.46Å; W356-V547 HydrophobicContact CH2-CG1 3.99Å; W356-V547 HydrophobicContact CH2-CG2 3.91Å; W356-V547 HydrophobicContact CZ2-CB 4.17Å; W356-V547 HydrophobicContact CZ2-CG1 3.78Å; W356-V547 HydrophobicContact CZ2-CG2 3.57Å; W356-V547 HydrophobicContact CZ3-CG1 4.09Å; W356-M551 HydrophobicContact CB-CG 3.89Å; W356-M551 HydrophobicContact CG-CG 4.08Å |
| 357 | I | 87.4 | Confident | 82.1 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.2 | -45.3 | 174.2 | -70.7 | 168.6 | 0 | 0 | 0 | 110.4 | V144 F148 F261 V269 L353 F354 R360 I361 | V144-I357 HydrophobicContact CG1-CG2 3.89Å; F148-I357 HydrophobicContact CD1-CD1 3.87Å; F148-I357 HydrophobicContact CD2-CD1 4.2Å; F148-I357 HydrophobicContact CE1-CD1 3.82Å; F148-I357 HydrophobicContact CE2-CD1 4.19Å; F148-I357 HydrophobicContact CG-CD1 4.06Å; F148-I357 HydrophobicContact CZ-CD1 4Å; F261-I357 HydrophobicContact CZ-CG2 4.19Å; V269-I357 HydrophobicContact CG1-CD1 4.42Å; L353-I357 HydrophobicContact CD1-CD1 4.32Å; L353-I357 HydrophobicContact CG-CD1 4.16Å; L353-I357 VanDerWaalsContact O-CG1 3.31Å; L353-I357 WeakPolarHBondContact O-CG1 3.36Å; L353-I357 PolarHBondContact O-N 3.14Å; F354-I357 PolarHBondContact O-N 2.87Å; I357-R360 PolarHBondContact O-N 3.36Å; I357-I361 HydrophobicContact CG2-CD1 3.78Å; I357-I361 WeakPolarHBondContact O-CB 3.43Å; I357-I361 WeakPolarHBondContact O-CD1 3.46Å; I357-I361 WeakPolarHBondContact O-CG1 3.22Å; I357-I361 PolarHBondContact O-N 3.4Å |
| 358 | V | 86.1 | Confident | 80.9 | Confident | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.024 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64 | -45.8 | 177.3 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | L145 I181 N183 F354 C355 W356 R360 I361 N362 | L145-V358 HydrophobicContact CD2-CG2 3.67Å; I181-V358 HydrophobicContact CB-CG1 4.36Å; I181-V358 HydrophobicContact CG2-CG1 4.37Å; I181-V358 WeakPolarHBondContact O-CG1 2.94Å; N183-V358 HydrophobicContact CB-CG2 4.49Å; F354-V358 HydrophobicContact CD1-CG2 4.2Å; F354-V358 HydrophobicContact CE1-CG2 3.82Å; F354-V358 HydrophobicContact CZ-CG2 3.99Å; F354-V358 WeakPolarHBondContact O-CG2 3.44Å; F354-V358 PolarHBondContact O-N 3.16Å; C355-V358 PolarHBondContact O-N 3.49Å; W356-V358 VanDerWaalsContact C-N 3.32Å; W356-V358 PolarHBondContact O-N 3.43Å; V358-R360 PolarHBondContact O-N 3.16Å; V358-I361 WeakPolarHBondContact O-CB 3.48Å; V358-I361 PolarHBondContact O-N 3.43Å; V358-N362 VanDerWaalsContact O-CG 3.31Å; V358-N362 PolarHBondContact O-N 3.36Å |
| 359 | G | 86.8 | Confident | 79.7 | Confident | 26 Ų | 26 | 43.9 Ų | 43.9 | 27% | 0.268 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.2 | -45.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | C355 W356 I361 N362 D363 | C355-G359 PolarHBondContact O-N 3.47Å; W356-G359 PolarHBondContact O-N 2.94Å; G359-I361 VanDerWaalsContact C-N 3.31Å; G359-I361 PolarHBondContact O-N 3.27Å; G359-N362 CarbonylContact O-C 3.57Å; G359-N362 WeakPolarHBondContact O-CA 3.16Å; G359-N362 WeakPolarHBondContact O-CB 3.25Å; G359-N362 PolarHBondContact O-N 3.42Å; G359-D363 VanDerWaalsContact O-CG 3.26Å; G359-D363 PolarHBondContact O-N 3.35Å |
| 360 | R | 85.7 | Confident | 78.3 | Confident | 58 Ų | 58 | 47.5 Ų | 47.5 | 22% | 0.219 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.6 | -38.5 | 176.9 | -170.2 | 68.9 | -179.7 | 95.4 | 8.7 | 112.4 | F261 E265 W356 I357 V358 I364 | F261-R360 HydrophobicContact CD1-CG 4.27Å; F261-R360 HydrophobicContact CE1-CB 4.05Å; F261-R360 HydrophobicContact CE1-CG 3.72Å; F261-R360 HydrophobicContact CZ-CB 4.13Å; F261-R360 HydrophobicContact CZ-CG 4.01Å; E265-R360 IonicContact OE1-CZ 3.88Å; E265-R360 IonicContact OE1-NE 2.73Å; E265-R360 PolarHBondContact OE1-NE 3.05Å; E265-R360 IonicContact OE1-NH2 3.64Å; E265-R360 IonicContact OE2-NE 2.8Å; E265-R360 IonicContact OE2-NH2 2.65Å; W356-R360 HydrophobicContact CH2-CG 4.37Å; W356-R360 HydrophobicContact CZ2-CB 4.41Å; W356-R360 HydrophobicContact CZ2-CG 4.3Å; W356-R360 VanDerWaalsContact O-CB 3.32Å; W356-R360 WeakPolarHBondContact O-CB 3.4Å; W356-R360 PolarHBondContact O-N 2.9Å; I357-R360 PolarHBondContact O-N 3.36Å; V358-R360 PolarHBondContact O-N 3.16Å; R360-I364 HydrophobicContact CG-CD1 4.44Å; R360-I364 WeakPolarHBondContact O-CD1 3.42Å; R360-I364 VanDerWaalsContact O-CG1 3.25Å; R360-I364 WeakPolarHBondContact O-CG1 3.46Å; R360-I364 PolarHBondContact O-N 3.37Å |
| 361 | I | 85.3 | Confident | 76.8 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64 | -43.8 | 173.1 | -71.3 | 165.1 | 0 | 0 | 0 | 109.8 | L145 I181 I259 F261 I357 V358 G359 I364 I365 | L145-I361 HydrophobicContact CD2-CD1 4.28Å; I181-I361 HydrophobicContact CD1-CG2 3.81Å; I259-I361 HydrophobicContact CG2-CG1 4.16Å; F261-I361 HydrophobicContact CE2-CG1 4.13Å; F261-I361 HydrophobicContact CZ-CG1 4.16Å; I357-I361 HydrophobicContact CG2-CD1 3.78Å; I357-I361 WeakPolarHBondContact O-CB 3.43Å; I357-I361 WeakPolarHBondContact O-CD1 3.46Å; I357-I361 WeakPolarHBondContact O-CG1 3.22Å; I357-I361 PolarHBondContact O-N 3.4Å; V358-I361 WeakPolarHBondContact O-CB 3.48Å; V358-I361 PolarHBondContact O-N 3.43Å; G359-I361 VanDerWaalsContact C-N 3.31Å; G359-I361 PolarHBondContact O-N 3.27Å; I361-I364 PolarHBondContact O-N 3.45Å; I361-I365 HydrophobicContact CG2-CD1 3.35Å; I361-I365 HydrophobicContact CG2-CG1 4.23Å; I361-I365 WeakPolarHBondContact O-CG1 3.47Å; I361-I365 PolarHBondContact O-N 2.95Å |
| 362 | N | 86.1 | Confident | 75.6 | Confident | 13 Ų | 13 | 53.1 Ų | 53.1 | 7% | 0.07 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.8 | -45.2 | 177.3 | -69.5 | -16.5 | 0 | 0 | 0 | 111.9 | H180 I181 V358 G359 I364 I365 E366 | H180-N362 PolarHBondContact NE2-ND2 3.38Å; I181-N362 WeakPolarHBondContact CB-OD1 3.45Å; I181-N362 PolarHBondContact N-OD1 2.92Å; I181-N362 PolarHBondContact O-ND2 2.8Å; V358-N362 VanDerWaalsContact O-CG 3.31Å; V358-N362 PolarHBondContact O-N 3.36Å; G359-N362 CarbonylContact O-C 3.57Å; G359-N362 WeakPolarHBondContact O-CA 3.16Å; G359-N362 WeakPolarHBondContact O-CB 3.25Å; G359-N362 PolarHBondContact O-N 3.42Å; N362-I364 PolarHBondContact O-N 3.05Å; N362-I365 PolarHBondContact O-N 2.85Å; N362-I365 VanDerWaalsContact O-N 3.07Å; N362-E366 VanDerWaalsContact O-CB 3.22Å; N362-E366 WeakPolarHBondContact O-CB 3.33Å; N362-E366 PolarHBondContact O-N 2.87Å |
| 363 | D | 83.5 | Confident | 74.3 | Confident | 89 Ų | 89 | 61.2 Ų | 61.2 | 48% | 0.476 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -57.8 | -25.4 | 177.9 | -64.1 | -23.5 | 0 | 0 | 0 | 113.6 | G359 | G359-D363 VanDerWaalsContact O-CG 3.26Å; G359-D363 PolarHBondContact O-N 3.35Å |
| 364 | I | 78 | Confident | 72.7 | Confident | 37 Ų | 37 | 66.3 Ų | 66.3 | 19% | 0.19 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -89.7 | -35.8 | 179.8 | -64.2 | 167.7 | 0 | 0 | 0 | 111.3 | M137 I259 R360 I361 N362 | M137-I364 HydrophobicContact CE-CG2 4.08Å; M137-I364 HydrophobicContact SD-CG2 3.94Å; I259-I364 HydrophobicContact CG2-CD1 4.04Å; I259-I364 WeakPolarHBondContact O-CG2 2.89Å; R360-I364 HydrophobicContact CG-CD1 4.44Å; R360-I364 WeakPolarHBondContact O-CD1 3.42Å; R360-I364 VanDerWaalsContact O-CG1 3.25Å; R360-I364 WeakPolarHBondContact O-CG1 3.46Å; R360-I364 PolarHBondContact O-N 3.37Å; I361-I364 PolarHBondContact O-N 3.45Å; N362-I364 PolarHBondContact O-N 3.05Å |
| 365 | I | 76.8 | Confident | 71.1 | Confident | 8 Ų | 8 | 70.6 Ų | 70.6 | 4% | 0.041 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -84.3 | -23.8 | -178.4 | -61.1 | 172.7 | 0 | 0 | 0 | 111.2 | L138 G178 G179 I181 I361 N362 | L138-I365 HydrophobicContact CD2-CD1 3.86Å; L138-I365 HydrophobicContact CD2-CG2 4.33Å; G178-I365 WeakPolarHBondContact CA-O 3.47Å; G179-I365 VanDerWaalsContact N-CG2 3.33Å; G179-I365 PolarHBondContact N-O 3.06Å; G179-I365 VanDerWaalsContact O-CG2 3.26Å; G179-I365 WeakPolarHBondContact O-CG2 3.34Å; I181-I365 HydrophobicContact CD1-CD1 4.34Å; I361-I365 HydrophobicContact CG2-CD1 3.35Å; I361-I365 HydrophobicContact CG2-CG1 4.23Å; I361-I365 WeakPolarHBondContact O-CG1 3.47Å; I361-I365 PolarHBondContact O-N 2.95Å; N362-I365 PolarHBondContact O-N 2.85Å; N362-I365 VanDerWaalsContact O-N 3.07Å |
| 366 | E | 74.9 | Confident | 69.8 | Low | 117 Ų | 117 | 70 Ų | 70 | 55% | 0.547 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -67.7 | 141.6 | -180 | -167.4 | 170.2 | -147.6 | 0 | 0 | 111.9 | N362 K368 | N362-E366 VanDerWaalsContact O-CB 3.22Å; N362-E366 WeakPolarHBondContact O-CB 3.33Å; N362-E366 PolarHBondContact O-N 2.87Å; E366-K368 PolarHBondContact O-N 3.38Å |
| 367 | V | 64.8 | Low | 68.6 | Low | 40 Ų | 40 | 76.9 Ų | 76.9 | 24% | 0.242 | 39% | 0.387 | C | S | . | . | trans | -76.2 | 108.1 | -174.7 | -174.1 | 0 | 0 | 0 | 0 | 109.5 | I177 N369 | I177-V367 HydrophobicContact CB-CG2 4.02Å; I177-V367 HydrophobicContact CG2-CB 4.2Å; I177-V367 HydrophobicContact CG2-CG1 3.6Å; I177-V367 HydrophobicContact CG2-CG2 3.47Å; I177-V367 VanDerWaalsContact CG2-CG2 3.47Å; V367-N369 PolarHBondContact O-N 3.22Å | ||
| 368 | K | 54.4 | Low | 67.7 | Low | 170 Ų | 170 | 78.6 Ų | 78.6 | 74% | 0.739 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | 126.7 | 171.8 | -62.2 | -174.7 | -179.8 | -175 | 0 | 109.1 | E366 | E366-K368 PolarHBondContact O-N 3.38Š|
| 369 | N | 53.4 | Low | 67.4 | Low | 146 Ų | 146 | 78.8 Ų | 78.8 | 78% | 0.781 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73 | 49.9 | 179.1 | -50.5 | -30.5 | 0 | 0 | 0 | 115.9 | V367 D371 | V367-N369 PolarHBondContact O-N 3.22Å; N369-D371 PolarHBondContact O-N 3.47Å |
| 370 | Y | 53.3 | Low | 67.4 | Low | 76 Ų | 76 | 78.5 Ų | 78.5 | 30% | 0.298 | 39% | 0.39 | S | S | . | . | trans | -81.6 | 102.3 | 172.8 | -177.8 | -102 | 0 | 0 | 0 | 112.4 | A372 H375 G376 N378 | Y370-A372 HydrophobicContact CE1-CB 3.95Å; Y370-H375 HydrophobicContact CD2-CB 4.24Å; Y370-H375 HydrophobicContact CE2-CB 3.78Å; Y370-G376 PolarHBondContact OH-O 2.96Å; Y370-N378 WeakPolarHBondContact CE2-ND2 3.13Å; Y370-N378 WeakPolarHBondContact CE2-OD1 3.4Å; Y370-N378 PolarHBondContact OH-N 3.14Å; Y370-N378 VanDerWaalsContact OH-N 3.15Å; Y370-N378 PolarHBondContact OH-ND2 3.37Å; Y370-N378 PolarHBondContact OH-OD1 3.21Å; Y370-N378 VanDerWaalsContact OH-OD1 3.1Å | ||
| 371 | D | 54.3 | Low | 67.6 | Low | 101 Ų | 101 | 75.8 Ų | 75.8 | 54% | 0.54 | 38% | 0.38 | S | S | . | . | trans | -93.4 | 108.1 | 167.6 | -89.8 | -44.4 | 0 | 0 | 0 | 111.5 | N369 R373 V374 H375 | N369-D371 PolarHBondContact O-N 3.47Å; D371-R373 PolarHBondContact O-N 2.9Å; D371-V374 HydrophobicContact CB-CB 4.11Å; D371-V374 HydrophobicContact CB-CG2 3.99Å; D371-V374 PolarHBondContact O-N 2.83Å; D371-H375 PolarHBondContact O-CD2 3.43Å; D371-H375 PolarHBondContact O-N 2.88Å | ||
| 372 | A | 54 | Low | 67.7 | Low | 64 Ų | 64 | 75.8 Ų | 75.8 | 53% | 0.529 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58.7 | -19.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y370 | Y370-A372 HydrophobicContact CE1-CB 3.95Å |
| 373 | R | 54.3 | Low | 67.9 | Low | 249 Ų | 249 | 75.1 Ų | 75.1 | 94% | 0.94 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -80.6 | -25.8 | 176.1 | -63.6 | -177.1 | -174.7 | 179.3 | 2.5 | 113.2 | D371 | D371-R373 PolarHBondContact O-N 2.9Å |
| 374 | V | 51.9 | Low | 68.1 | Low | 107 Ų | 107 | 71 Ų | 71 | 65% | 0.648 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -100.2 | -33 | -176.4 | -178.9 | 0 | 0 | 0 | 0 | 111.3 | D371 | D371-V374 HydrophobicContact CB-CB 4.11Å; D371-V374 HydrophobicContact CB-CG2 3.99Å; D371-V374 PolarHBondContact O-N 2.83Å |
| 375 | H | 52.9 | Low | 68.5 | Low | 89 Ų | 89 | 69.5 Ų | 69.5 | 41% | 0.412 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -106.1 | -2.3 | -171 | -61.8 | -66 | 0 | 0 | 0 | 115.4 | Y370 D371 | Y370-H375 HydrophobicContact CD2-CB 4.24Å; Y370-H375 HydrophobicContact CE2-CB 3.78Å; D371-H375 PolarHBondContact O-CD2 3.43Å; D371-H375 PolarHBondContact O-N 2.88Å |
| 376 | G | 55.6 | Low | 68.5 | Low | 33 Ų | 33 | 69.3 Ų | 69.3 | 34% | 0.34 | 35% | 0.346 | S | S | . | . | trans | 81.4 | -168.6 | -180 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y370 | Y370-G376 PolarHBondContact OH-O 2.96Š| ||
| 377 | K | 60.8 | Low | 68.3 | Low | 187 Ų | 187 | 64.4 Ų | 64.4 | 81% | 0.813 | 32% | 0.322 | S | S | * | . | trans | -81.6 | 118.5 | 171.5 | -80.2 | -172.7 | 177.2 | -175.8 | 0 | 109.1 | ||||
| 378 | N | 69.1 | Low | 68.6 | Low | 37 Ų | 37 | 62.8 Ų | 62.8 | 20% | 0.198 | 31% | 0.313 | C | S | . | . | trans | -60.1 | 138.2 | 166.3 | -75.5 | -12 | 0 | 0 | 0 | 110 | Y370 | Y370-N378 WeakPolarHBondContact CE2-ND2 3.13Å; Y370-N378 WeakPolarHBondContact CE2-OD1 3.4Å; Y370-N378 PolarHBondContact OH-N 3.14Å; Y370-N378 VanDerWaalsContact OH-N 3.15Å; Y370-N378 PolarHBondContact OH-ND2 3.37Å; Y370-N378 PolarHBondContact OH-OD1 3.21Å; Y370-N378 VanDerWaalsContact OH-OD1 3.1Å | ||
| 379 | T | 80.7 | Confident | 69.5 | Low | 7 Ų | 7 | 55 Ų | 55 | 4% | 0.043 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 148.9 | 167.7 | 53 | 0 | 0 | 0 | 0 | 109 | M89 D95 F170 | M89-T379 HydrophobicContact CG-CG2 4.25Å; M89-T379 WeakPolarHBondContact CG-OG1 3.02Å; M89-T379 PolarHBondContact SD-OG1 3.43Å; D95-T379 WeakPolarHBondContact OD1-CA 3.28Å; F170-T379 PolarHBondContact N-O 2.94Å; F170-T379 PolarHBondContact O-N 2.64Å; F170-T379 VanDerWaalsContact O-N 3.16Å |
| 380 | V | 86.6 | Confident | 70.5 | Confident | 21 Ų | 21 | 48.8 Ų | 48.8 | 13% | 0.127 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 135.2 | -174.1 | -178.3 | 0 | 0 | 0 | 0 | 110.5 | D95 T96 D167 I168 N169 | D95-V380 WeakPolarHBondContact CA-O 3.42Å; D95-V380 PolarHBondContact OD1-N 2.87Å; T96-V380 PolarHBondContact N-O 2.87Å; D167-V380 HydrophobicContact CB-CG1 3.62Å; D167-V380 WeakPolarHBondContact OD1-CG1 3.31Å; I168-V380 WeakPolarHBondContact O-CA 3.31Å; N169-V380 WeakPolarHBondContact OD1-CG2 3.15Å |
| 381 | I | 88.4 | Confident | 71.5 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 106.7 | 161.7 | -53 | -176.2 | 0 | 0 | 0 | 107.8 | Y86 M89 T96 I98 I119 I168 F170 | Y86-I381 HydrophobicContact CD2-CD1 4.14Å; M89-I381 HydrophobicContact CB-CG1 4.39Å; M89-I381 HydrophobicContact CE-CD1 3.82Å; M89-I381 HydrophobicContact CE-CG1 4.24Å; M89-I381 HydrophobicContact CG-CG1 4.37Å; T96-I381 CarbonylContact O-C 3.54Å; T96-I381 WeakPolarHBondContact O-CA 3.39Å; T96-I381 WeakPolarHBondContact OG1-CG1 3.4Å; I98-I381 HydrophobicContact CD1-CG2 4.49Å; I119-I381 HydrophobicContact CD1-CD1 4.48Å; I119-I381 HydrophobicContact CD1-CG2 4.16Å; I168-I381 PolarHBondContact N-O 2.95Å; I168-I381 PolarHBondContact O-N 2.94Å; F170-I381 HydrophobicContact CD2-CB 4.47Å; F170-I381 HydrophobicContact CD2-CD1 4.2Å; F170-I381 HydrophobicContact CD2-CG1 3.89Å; F170-I381 HydrophobicContact CE2-CB 3.78Å; F170-I381 HydrophobicContact CE2-CD1 3.56Å; F170-I381 HydrophobicContact CE2-CG1 3.47Å; F170-I381 VanDerWaalsContact CE2-CG1 3.47Å; F170-I381 HydrophobicContact CZ-CD1 3.88Å; F170-I381 HydrophobicContact CZ-CG1 4.29Å |
| 382 | G | 88.8 | Confident | 72.4 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 138.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | T96 C97 I98 M166 | T96-G382 PolarHBondContact O-N 2.98Å; C97-G382 CarbonylContact C-O 3.36Å; C97-G382 VanDerWaalsContact CA-O 3.27Å; C97-G382 WeakPolarHBondContact CA-O 3.24Å; I98-G382 PolarHBondContact N-O 3.16Å; M166-G382 CarbonylContact O-C 3.54Å; M166-G382 VanDerWaalsContact O-CA 3.31Å; M166-G382 WeakPolarHBondContact O-CA 3.47Å |
| 383 | V | 88.7 | Confident | 73.2 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 110.9 | 169.3 | -177.2 | 0 | 0 | 0 | 0 | 108.1 | I98 I100 I115 Y165 M166 | I98-V383 WeakPolarHBondContact O-CA 2.87Å; I100-V383 HydrophobicContact CD1-CG1 4.12Å; I115-V383 HydrophobicContact CG2-CG2 4.41Å; Y165-V383 WeakPolarHBondContact CA-O 3.44Å; M166-V383 HydrophobicContact CE-CB 4.15Å; M166-V383 HydrophobicContact CE-CG1 4.25Å; M166-V383 PolarHBondContact N-O 3.18Å; M166-V383 PolarHBondContact O-N 3.47Å |
| 384 | L | 88.2 | Confident | 74.1 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 111.4 | 177.4 | -176 | 61.9 | 0 | 0 | 0 | 109.8 | I98 V99 I100 Y165 I386 L409 L580 L584 | I98-L384 PolarHBondContact O-N 3.33Å; V99-L384 HydrophobicContact CG1-CD2 4.13Å; V99-L384 HydrophobicContact CG2-CB 4.35Å; V99-L384 HydrophobicContact CG2-CD2 4.25Å; I100-L384 PolarHBondContact N-O 3.44Å; Y165-L384 HydrophobicContact CD2-CB 3.78Å; Y165-L384 HydrophobicContact CD2-CD1 3.83Å; Y165-L384 HydrophobicContact CD2-CG 4.35Å; Y165-L384 HydrophobicContact CE2-CB 4.27Å; Y165-L384 HydrophobicContact CG-CD1 4.29Å; L384-I386 HydrophobicContact CG-CB 4.42Å; L384-L409 HydrophobicContact CD2-CD1 4.43Å; L384-L409 HydrophobicContact CD2-CD2 4.44Å; L384-L580 HydrophobicContact CD1-CD1 4.45Å; L384-L584 HydrophobicContact CD2-CD1 3.84Å; L384-L584 HydrophobicContact CD2-CD2 4.21Å |
| 385 | D | 85.9 | Confident | 75.3 | Confident | 7 Ų | 7 | 40.6 Ų | 40.6 | 4% | 0.037 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 104.7 | 167.1 | -174.6 | 1 | 0 | 0 | 0 | 108.1 | K108 K164 | K108-D385 WeakPolarHBondContact CB-OD1 3.44Å; K164-D385 PolarHBondContact N-O 3.45Å; K164-D385 PolarHBondContact O-N 3.27Å |
| 386 | I | 77.9 | Confident | 76.6 | Confident | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.015 | 19% | 0.192 | C | C | . | . | trans | -115.2 | 150 | 179.9 | -160.4 | 164.6 | 0 | 0 | 0 | 111.7 | I100 K108 L384 C405 L409 | I100-I386 PolarHBondContact O-N 3.37Å; K108-I386 VanDerWaalsContact CD-O 3.3Å; K108-I386 WeakPolarHBondContact CD-O 3.37Å; K108-I386 WeakPolarHBondContact CE-O 3.47Å; L384-I386 HydrophobicContact CG-CB 4.42Å; I386-C405 WeakPolarHBondContact CD1-SG 3.43Å; I386-L409 HydrophobicContact CD1-CD1 3.49Å; I386-L409 VanDerWaalsContact CD1-CD1 3.49Å; I386-L409 HydrophobicContact CG2-CD1 3.92Å | ||
| 387 | Y | 71 | Confident | 77.6 | Confident | 15 Ų | 15 | 36 Ų | 36 | 6% | 0.059 | 18% | 0.176 | C | C | . | . | trans | -61 | 145.6 | 171.8 | 50.6 | -101.5 | 0 | 0 | 0 | 110.3 | L185 I402 C405 N406 | L185-Y387 HydrophobicContact CB-CE1 4.05Å; L185-Y387 HydrophobicContact CD1-CE1 3.76Å; L185-Y387 WeakPolarHBondContact CD1-OH 3.38Å; L185-Y387 HydrophobicContact CD2-CE1 4.07Å; L185-Y387 WeakPolarHBondContact CD2-OH 3.49Å; L185-Y387 HydrophobicContact CG-CE1 4.14Å; L185-Y387 WeakPolarHBondContact CG-OH 3.21Å; Y387-I402 HydrophobicContact CD2-CB 3.96Å; Y387-I402 HydrophobicContact CD2-CD1 4.4Å; Y387-I402 HydrophobicContact CD2-CG1 3.75Å; Y387-I402 HydrophobicContact CD2-CG2 3.38Å; Y387-I402 HydrophobicContact CE1-CG1 4.33Å; Y387-I402 HydrophobicContact CE2-CB 3.62Å; Y387-I402 HydrophobicContact CE2-CG1 3.49Å; Y387-I402 VanDerWaalsContact CE2-CG1 3.49Å; Y387-I402 HydrophobicContact CE2-CG2 3.48Å; Y387-I402 VanDerWaalsContact CE2-CG2 3.48Å; Y387-I402 HydrophobicContact CG-CG1 4.32Å; Y387-I402 HydrophobicContact CG-CG2 4.46Å; Y387-C405 HydrophobicContact CE2-CB 4.23Å; Y387-C405 VanDerWaalsContact OH-CB 3.29Å; Y387-C405 WeakPolarHBondContact OH-CB 3.49Å; Y387-N406 PolarHBondContact O-ND2 2.88Å; Y387-N406 PolarHBondContact O-OD1 2.89Å | ||
| 388 | G | 70.3 | Confident | 78.3 | Confident | 5 Ų | 5 | 28.2 Ų | 28.2 | 5% | 0.052 | 14% | 0.143 | C | C | . | . | trans | -77.9 | 176.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | G102 N406 | G102-G388 WeakPolarHBondContact O-CA 3.36Å; G102-G388 PolarHBondContact O-N 2.84Å; G388-N406 PolarHBondContact O-ND2 2.88Å | ||
| 389 | F | 74.2 | Confident | 78.7 | Confident | 8 Ų | 8 | 27.2 Ų | 27.2 | 4% | 0.035 | 14% | 0.137 | C | C | . | . | trans | -57.8 | 136.6 | 170.4 | -157.9 | -90.1 | 0 | 0 | 0 | 110.4 | I391 N403 N406 H509 Y510 A511 V514 Y617 | F389-I391 HydrophobicContact CD1-CD1 4.07Å; F389-I391 HydrophobicContact CD1-CG1 3.75Å; F389-I391 HydrophobicContact CE1-CD1 3.75Å; F389-I391 HydrophobicContact CE1-CG1 3.56Å; F389-N403 HydrophobicContact CD2-CB 4.23Å; F389-N403 HydrophobicContact CE2-CB 3.68Å; F389-N403 HydrophobicContact CZ-CB 3.96Å; F389-N406 HydrophobicContact CD2-CB 4.07Å; F389-H509 HydrophobicContact CE2-CB 3.89Å; F389-H509 AromaticContact CE2-CG 3.93Å; F389-H509 HydrophobicContact CZ-CB 3.55Å; F389-H509 AromaticContact CZ-CD2 3.94Å; F389-H509 AromaticContact CZ-CG 3.61Å; F389-Y510 HydrophobicContact CD2-CE1 4.06Å; F389-Y510 HydrophobicContact CE2-CE1 4.22Å; F389-A511 HydrophobicContact CD1-CB 3.76Å; F389-A511 HydrophobicContact CD2-CB 4.09Å; F389-A511 HydrophobicContact CE1-CB 3.66Å; F389-A511 HydrophobicContact CE2-CB 4Å; F389-A511 HydrophobicContact CG-CB 3.98Å; F389-A511 HydrophobicContact CZ-CB 3.8Å; F389-V514 HydrophobicContact CE1-CG2 3.7Å; F389-V514 HydrophobicContact CZ-CG2 3.83Å; F389-Y617 HydrophobicContact CB-CD2 4.13Å; F389-Y617 HydrophobicContact CB-CG 4.42Å | ||
| 390 | E | 74 | Confident | 78.8 | Confident | 14 Ų | 14 | 27 Ų | 27 | 7% | 0.065 | 14% | 0.135 | C | C | . | . | trans | -120.5 | 125.4 | -179.2 | -74.9 | -170.3 | 173.3 | 0 | 0 | 111.1 | R161 K188 F392 Q399 I402 N403 | R161-E390 IonicContact CZ-OE1 3.03Å; R161-E390 IonicContact NH1-OE1 3.32Å; R161-E390 PolarHBondContact NH1-OE1 3.41Å; R161-E390 IonicContact NH2-OE1 2.64Å; K188-E390 IonicContact NZ-OE1 3.66Å; K188-E390 PolarHBondContact NZ-OE1 2.78Å; K188-E390 IonicContact NZ-OE2 2.94Å; K188-E390 PolarHBondContact NZ-OE2 3.42Å; E390-F392 HydrophobicContact CB-CE2 4.39Å; E390-F392 HydrophobicContact CB-CZ 4.32Å; E390-F392 HydrophobicContact CG-CZ 4.14Å; E390-F392 WeakPolarHBondContact OE2-CE2 3.26Å; E390-F392 WeakPolarHBondContact OE2-CZ 3.33Å; E390-Q399 HydrophobicContact CB-CG 4.23Å; E390-Q399 PolarHBondContact OE2-NE2 3.18Å; E390-I402 HydrophobicContact CB-CG2 4.4Å; E390-I402 HydrophobicContact CG-CG2 4.38Å; E390-N403 PolarHBondContact N-OD1 3.45Å; E390-N403 PolarHBondContact O-ND2 3.34Å; E390-N403 PolarHBondContact O-OD1 3.27Å | ||
| 391 | I | 73.6 | Confident | 78.6 | Confident | 71 Ų | 71 | 26 Ų | 26 | 36% | 0.364 | 13% | 0.13 | S | C | . | . | trans | -125.5 | 112.4 | 170 | -48.5 | 178.8 | 0 | 0 | 0 | 108.1 | R155 F389 V514 | R155-I391 PolarHBondContact NH2-O 3.32Å; F389-I391 HydrophobicContact CD1-CD1 4.07Å; F389-I391 HydrophobicContact CD1-CG1 3.75Å; F389-I391 HydrophobicContact CE1-CD1 3.75Å; F389-I391 HydrophobicContact CE1-CG1 3.56Å; I391-V514 HydrophobicContact CD1-CG2 4.13Å; I391-V514 HydrophobicContact CG1-CG2 3.99Å | ||
| 392 | F | 73.6 | Confident | 78.1 | Confident | 49 Ų | 49 | 26.2 Ų | 26.2 | 22% | 0.215 | 13% | 0.13 | C | C | . | . | trans | -113 | 170.1 | 173.5 | -60.1 | -37.2 | 0 | 0 | 0 | 110.8 | E390 N394 N395 Q399 | E390-F392 HydrophobicContact CB-CE2 4.39Å; E390-F392 HydrophobicContact CB-CZ 4.32Å; E390-F392 HydrophobicContact CG-CZ 4.14Å; E390-F392 WeakPolarHBondContact OE2-CE2 3.26Å; E390-F392 WeakPolarHBondContact OE2-CZ 3.33Å; F392-N394 VanDerWaalsContact C-N 3.34Å; F392-N395 PolarHBondContact N-OD1 3.23Å; F392-N395 PolarHBondContact O-ND2 3.4Å; F392-N395 PolarHBondContact O-OD1 3.36Å; F392-Q399 HydrophobicContact CD2-CG 3.93Å; F392-Q399 HydrophobicContact CE2-CG 4.22Å | ||
| 393 | Q | 71.5 | Confident | 77.9 | Confident | 195 Ų | 195 | 26.2 Ų | 26.2 | 91% | 0.911 | 13% | 0.13 | S | C | * | . | S | Bend | trans | -62.2 | -44.1 | 173.1 | -70.3 | 176.9 | -11.9 | 0 | 0 | 110.8 | ||
| 394 | N | 72.9 | Confident | 77.7 | Confident | 106 Ų | 106 | 26.3 Ų | 26.3 | 57% | 0.567 | 13% | 0.131 | S | C | * | . | S | Bend | trans | -117.3 | 107 | 173 | -69.4 | -3.1 | 0 | 0 | 0 | 109.5 | F392 | F392-N394 VanDerWaalsContact C-N 3.34Š|
| 395 | N | 76.6 | Confident | 77.5 | Confident | 5 Ų | 5 | 26.3 Ų | 26.3 | 3% | 0.027 | 13% | 0.131 | C | C | . | . | B | Isolated β-bridge | trans | -96.3 | 133.8 | 175.7 | -53.5 | -72.4 | 0 | 0 | 0 | 109.8 | F392 Q399 V514 A515 Y516 S517 | F392-N395 PolarHBondContact N-OD1 3.23Å; F392-N395 PolarHBondContact O-ND2 3.4Å; F392-N395 PolarHBondContact O-OD1 3.36Å; N395-Q399 HydrophobicContact CB-CB 3.91Å; N395-Q399 HydrophobicContact CB-CG 4.16Å; N395-V514 HydrophobicContact CB-CG1 4.36Å; N395-A515 WeakPolarHBondContact CB-O 3.22Å; N395-A515 PolarHBondContact ND2-O 2.87Å; N395-Y516 HydrophobicContact CB-CD1 3.61Å; N395-Y516 HydrophobicContact CB-CE1 4.01Å; N395-Y516 HydrophobicContact CB-CG 4.43Å; N395-Y516 WeakPolarHBondContact O-CA 3.26Å; N395-S517 PolarHBondContact O-N 2.98Å |
| 396 | S | 79.5 | Confident | 77.3 | Confident | 22 Ų | 22 | 26.4 Ų | 26.4 | 15% | 0.154 | 13% | 0.131 | C | C | . | . | trans | -116.3 | -168.5 | 178.1 | -163.7 | 0 | 0 | 0 | 0 | 111 | E398 Q399 F400 K524 | S396-E398 WeakPolarHBondContact CB-OE2 3.45Å; S396-E398 PolarHBondContact O-N 3.47Å; S396-Q399 PolarHBondContact O-N 3.25Å; S396-Q399 VanDerWaalsContact O-N 3.12Å; S396-F400 PolarHBondContact O-N 2.98Å; S396-F400 VanDerWaalsContact O-N 3.14Å; S396-K524 PolarHBondContact OG-NZ 3.36Å | ||
| 397 | F | 77.4 | Confident | 77.6 | Confident | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.009 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -54.6 | -36.2 | -177.9 | -179.4 | -108.6 | 0 | 0 | 0 | 112.6 | E187 Q399 F400 C401 F455 L458 F521 K524 A570 | E187-F397 WeakPolarHBondContact OE1-CE1 3.46Å; F397-Q399 PolarHBondContact O-N 2.92Å; F397-F400 HydrophobicContact CD2-CD1 4.44Å; F397-F400 HydrophobicContact CE2-CD1 4.49Å; F397-F400 WeakPolarHBondContact O-CB 3.44Å; F397-F400 PolarHBondContact O-N 3.42Å; F397-C401 WeakPolarHBondContact CZ-SG 3.21Å; F397-C401 PolarHBondContact O-N 3.44Å; F397-F455 HydrophobicContact CE2-CE1 4.34Å; F397-L458 HydrophobicContact CD2-CD2 4.14Å; F397-L458 HydrophobicContact CE2-CD2 3.48Å; F397-L458 VanDerWaalsContact CE2-CD2 3.48Å; F397-L458 HydrophobicContact CZ-CD2 4.21Å; F397-F521 HydrophobicContact CB-CD1 4.31Å; F397-F521 HydrophobicContact CB-CD2 3.96Å; F397-F521 HydrophobicContact CB-CE1 4.25Å; F397-F521 HydrophobicContact CB-CE2 3.87Å; F397-F521 HydrophobicContact CB-CG 4.19Å; F397-F521 HydrophobicContact CB-CZ 4.03Å; F397-F521 AromaticContact CD2-CD1 3.74Å; F397-F521 HydrophobicContact CD2-CD1 3.74Å; F397-F521 AromaticContact CD2-CE1 3.75Å; F397-F521 HydrophobicContact CD2-CE1 3.75Å; F397-F521 HydrophobicContact CD2-CG 4.32Å; F397-F521 HydrophobicContact CD2-CZ 4.32Å; F397-F521 HydrophobicContact CG-CD1 4.48Å; F397-K524 HydrophobicContact CB-CB 4.49Å; F397-K524 HydrophobicContact CB-CD 3.9Å; F397-K524 HydrophobicContact CD1-CB 4.09Å; F397-K524 HydrophobicContact CG-CB 4.48Å; F397-A570 HydrophobicContact CZ-CB 4.15Å |
| 398 | E | 75.3 | Confident | 78.3 | Confident | 24 Ų | 24 | 26.5 Ų | 26.5 | 11% | 0.112 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.8 | -42.7 | 179.5 | -59.4 | 90.1 | 153.1 | 0 | 0 | 112.1 | S191 S396 F400 C401 I402 K524 | S191-E398 WeakPolarHBondContact CB-OE1 3.37Å; S191-E398 PolarHBondContact OG-OE1 3.3Å; S396-E398 WeakPolarHBondContact CB-OE2 3.45Å; S396-E398 PolarHBondContact O-N 3.47Å; E398-F400 VanDerWaalsContact C-N 3.29Å; E398-C401 PolarHBondContact O-N 2.96Å; E398-I402 WeakPolarHBondContact O-CB 3.42Å; E398-I402 WeakPolarHBondContact O-CD1 3.32Å; E398-I402 WeakPolarHBondContact O-CG1 3.43Å; E398-I402 PolarHBondContact O-N 3.39Å; E398-K524 WeakPolarHBondContact OE1-CE 3.45Å; E398-K524 IonicContact OE1-NZ 2.7Å; E398-K524 PolarHBondContact OE1-NZ 3.45Å; E398-K524 IonicContact OE2-NZ 3.43Å; E398-K524 PolarHBondContact OE2-NZ 3.41Å |
| 399 | Q | 78.3 | Confident | 78.9 | Confident | 17 Ų | 17 | 27.3 Ų | 27.3 | 8% | 0.079 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.6 | -37.1 | 175 | -77.2 | 69.3 | 46.3 | 0 | 0 | 110.7 | E390 F392 N395 S396 F397 I402 N403 Y516 | E390-Q399 HydrophobicContact CB-CG 4.23Å; E390-Q399 PolarHBondContact OE2-NE2 3.18Å; F392-Q399 HydrophobicContact CD2-CG 3.93Å; F392-Q399 HydrophobicContact CE2-CG 4.22Å; N395-Q399 HydrophobicContact CB-CB 3.91Å; N395-Q399 HydrophobicContact CB-CG 4.16Å; S396-Q399 PolarHBondContact O-N 3.25Å; S396-Q399 VanDerWaalsContact O-N 3.12Å; F397-Q399 PolarHBondContact O-N 2.92Å; Q399-I402 PolarHBondContact O-N 2.94Å; Q399-N403 WeakPolarHBondContact O-CB 3.48Å; Q399-N403 VanDerWaalsContact O-CG 3.23Å; Q399-N403 PolarHBondContact O-N 2.78Å; Q399-N403 PolarHBondContact O-ND2 2.94Å; Q399-Y516 HydrophobicContact CB-CE1 4.1Å |
| 400 | F | 83.4 | Confident | 79.3 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 0% | 0.004 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.3 | -49 | 176.9 | 177.4 | -105.7 | 0 | 0 | 0 | 111.7 | S396 F397 E398 I402 N403 Y404 V447 I454 F455 F505 I507 Y516 F521 | S396-F400 PolarHBondContact O-N 2.98Å; S396-F400 VanDerWaalsContact O-N 3.14Å; F397-F400 HydrophobicContact CD2-CD1 4.44Å; F397-F400 HydrophobicContact CE2-CD1 4.49Å; F397-F400 WeakPolarHBondContact O-CB 3.44Å; F397-F400 PolarHBondContact O-N 3.42Å; E398-F400 VanDerWaalsContact C-N 3.29Å; F400-I402 VanDerWaalsContact C-N 3.32Å; F400-I402 PolarHBondContact O-N 2.91Å; F400-N403 PolarHBondContact O-N 3.44Å; F400-Y404 WeakPolarHBondContact O-CB 3.35Å; F400-Y404 PolarHBondContact O-N 3.31Å; F400-V447 HydrophobicContact CE1-CG1 4.13Å; F400-V447 HydrophobicContact CE2-CG2 4.13Å; F400-V447 HydrophobicContact CZ-CB 4.41Å; F400-V447 HydrophobicContact CZ-CG1 3.71Å; F400-V447 HydrophobicContact CZ-CG2 3.89Å; F400-I454 HydrophobicContact CE1-CG2 3.96Å; F400-I454 HydrophobicContact CE2-CD1 3.96Å; F400-I454 HydrophobicContact CE2-CG2 4.44Å; F400-I454 HydrophobicContact CZ-CB 3.96Å; F400-I454 HydrophobicContact CZ-CD1 3.86Å; F400-I454 HydrophobicContact CZ-CG2 3.62Å; F400-F455 HydrophobicContact CD1-CE1 4.06Å; F400-F455 HydrophobicContact CE1-CD1 4.04Å; F400-F455 AromaticContact CE1-CE1 3.5Å; F400-F455 HydrophobicContact CE1-CE1 3.5Å; F400-F455 VanDerWaalsContact CE1-CE1 3.5Å; F400-F455 AromaticContact CE1-CZ 4Å; F400-F455 HydrophobicContact CE1-CZ 4Å; F400-F505 HydrophobicContact CD2-CE2 4.48Å; F400-F505 HydrophobicContact CD2-CZ 4.46Å; F400-I507 HydrophobicContact CD2-CD1 4.09Å; F400-I507 HydrophobicContact CE2-CD1 3.5Å; F400-I507 VanDerWaalsContact CE2-CD1 3.5Å; F400-Y516 HydrophobicContact CB-CD1 3.9Å; F400-Y516 HydrophobicContact CB-CE1 3.77Å; F400-Y516 HydrophobicContact CD2-CD2 4.39Å; F400-Y516 HydrophobicContact CD2-CE1 4.33Å; F400-Y516 HydrophobicContact CD2-CE2 4.1Å; F400-F521 HydrophobicContact CB-CZ 4.26Å; F400-F521 HydrophobicContact CD1-CE1 4.45Å |
| 401 | C | 80.5 | Confident | 79.8 | Confident | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.014 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61 | -39.7 | 175 | -70.1 | 0 | 0 | 0 | 0 | 112.5 | L185 F397 E398 C405 F573 | L185-C401 HydrophobicContact CD2-CB 4.22Å; F397-C401 WeakPolarHBondContact CZ-SG 3.21Å; F397-C401 PolarHBondContact O-N 3.44Å; E398-C401 PolarHBondContact O-N 2.96Å; C401-C405 WeakPolarHBondContact O-CB 3.41Å; C401-C405 PolarHBondContact O-N 3.29Å; C401-F573 HydrophobicContact CB-CD1 3.81Å; C401-F573 HydrophobicContact CB-CE1 3.42Å; C401-F573 VanDerWaalsContact CB-CE1 3.42Å; C401-F573 HydrophobicContact CB-CZ 3.97Å; C401-F573 WeakPolarHBondContact O-CE1 3.43Å; C401-F573 WeakPolarHBondContact O-CZ 3.33Å |
| 402 | I | 79.6 | Confident | 80.3 | Confident | 3 Ų | 3 | 25.1 Ų | 25.1 | 2% | 0.015 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.4 | -47.3 | 177 | -76.8 | 167.8 | 0 | 0 | 0 | 112 | L185 K188 Y387 E390 E398 Q399 F400 C405 N406 | L185-I402 HydrophobicContact CD2-CG1 4.48Å; K188-I402 HydrophobicContact CD-CD1 3.98Å; Y387-I402 HydrophobicContact CD2-CB 3.96Å; Y387-I402 HydrophobicContact CD2-CD1 4.4Å; Y387-I402 HydrophobicContact CD2-CG1 3.75Å; Y387-I402 HydrophobicContact CD2-CG2 3.38Å; Y387-I402 HydrophobicContact CE1-CG1 4.33Å; Y387-I402 HydrophobicContact CE2-CB 3.62Å; Y387-I402 HydrophobicContact CE2-CG1 3.49Å; Y387-I402 VanDerWaalsContact CE2-CG1 3.49Å; Y387-I402 HydrophobicContact CE2-CG2 3.48Å; Y387-I402 VanDerWaalsContact CE2-CG2 3.48Å; Y387-I402 HydrophobicContact CG-CG1 4.32Å; Y387-I402 HydrophobicContact CG-CG2 4.46Å; E390-I402 HydrophobicContact CB-CG2 4.4Å; E390-I402 HydrophobicContact CG-CG2 4.38Å; E398-I402 WeakPolarHBondContact O-CB 3.42Å; E398-I402 WeakPolarHBondContact O-CD1 3.32Å; E398-I402 WeakPolarHBondContact O-CG1 3.43Å; E398-I402 PolarHBondContact O-N 3.39Å; Q399-I402 PolarHBondContact O-N 2.94Å; F400-I402 VanDerWaalsContact C-N 3.32Å; F400-I402 PolarHBondContact O-N 2.91Å; I402-C405 WeakPolarHBondContact O-CB 3.37Å; I402-C405 PolarHBondContact O-N 2.79Å; I402-N406 PolarHBondContact O-N 3.03Å; I402-N406 VanDerWaalsContact O-N 3.09Å; I402-N406 PolarHBondContact O-ND2 3.47Å |
| 403 | N | 83.4 | Confident | 80.7 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -71.2 | -37.6 | -177.5 | -69.8 | -17.5 | 0 | 0 | 0 | 110.7 | F389 E390 Q399 F400 C405 N406 E407 Y516 | F389-N403 HydrophobicContact CD2-CB 4.23Å; F389-N403 HydrophobicContact CE2-CB 3.68Å; F389-N403 HydrophobicContact CZ-CB 3.96Å; E390-N403 PolarHBondContact N-OD1 3.45Å; E390-N403 PolarHBondContact O-ND2 3.34Å; E390-N403 PolarHBondContact O-OD1 3.27Å; Q399-N403 WeakPolarHBondContact O-CB 3.48Å; Q399-N403 VanDerWaalsContact O-CG 3.23Å; Q399-N403 PolarHBondContact O-N 2.78Å; Q399-N403 PolarHBondContact O-ND2 2.94Å; F400-N403 PolarHBondContact O-N 3.44Å; N403-C405 PolarHBondContact O-N 3.46Å; N403-N406 PolarHBondContact O-N 3.35Å; N403-E407 WeakPolarHBondContact O-CB 3.33Å; N403-E407 PolarHBondContact O-N 2.91Å; N403-Y516 WeakPolarHBondContact CB-OH 3.49Å; N403-Y516 PolarHBondContact ND2-OH 3.09Å |
| 404 | Y | 85.1 | Confident | 81.2 | Confident | 3 Ų | 3 | 14.7 Ų | 14.7 | 1% | 0.012 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -57.4 | -45.4 | 169.7 | 166.8 | -103 | 0 | 0 | 0 | 112.5 | F400 N406 E407 K408 V444 V447 E448 F455 F573 M577 | F400-Y404 WeakPolarHBondContact O-CB 3.35Å; F400-Y404 PolarHBondContact O-N 3.31Å; Y404-N406 VanDerWaalsContact C-N 3.35Å; Y404-N406 PolarHBondContact O-N 3.49Å; Y404-E407 WeakPolarHBondContact O-CB 3.4Å; Y404-E407 PolarHBondContact O-N 3.05Å; Y404-K408 PolarHBondContact O-N 3.33Å; Y404-K408 PolarHBondContact OH-NZ 2.99Å; Y404-V444 HydrophobicContact CE2-CG1 4.2Å; Y404-V447 HydrophobicContact CD2-CB 3.62Å; Y404-V447 HydrophobicContact CD2-CG1 3.38Å; Y404-V447 HydrophobicContact CD2-CG2 4.06Å; Y404-V447 HydrophobicContact CE2-CB 3.91Å; Y404-V447 HydrophobicContact CE2-CG1 3.75Å; Y404-V447 HydrophobicContact CG-CG1 3.92Å; Y404-E448 HydrophobicContact CE2-CB 4.28Å; Y404-E448 PolarHBondContact OH-OE2 2.96Å; Y404-F455 AromaticContact CD1-CE2 3.97Å; Y404-F455 HydrophobicContact CD1-CE2 3.97Å; Y404-F455 HydrophobicContact CD1-CZ 4.17Å; Y404-F455 HydrophobicContact CD2-CE2 4.49Å; Y404-F455 AromaticContact CE1-CE2 3.88Å; Y404-F455 HydrophobicContact CE1-CE2 3.88Å; Y404-F455 HydrophobicContact CE1-CZ 4.49Å; Y404-F455 HydrophobicContact CE2-CE2 4.42Å; Y404-F455 HydrophobicContact CG-CE2 4.26Å; Y404-F455 HydrophobicContact CG-CZ 4.4Å; Y404-F573 HydrophobicContact CD1-CD1 4.47Å; Y404-F573 AromaticContact CD1-CE1 3.58Å; Y404-F573 HydrophobicContact CD1-CE1 3.58Å; Y404-F573 HydrophobicContact CD1-CZ 4.08Å; Y404-F573 HydrophobicContact CE1-CE1 4.15Å; Y404-M577 HydrophobicContact CE1-CB 4.35Å; Y404-M577 HydrophobicContact CE1-CG 4.26Å |
| 405 | C | 83 | Confident | 81.5 | Confident | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.007 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -59.1 | -46.2 | 176.5 | -178.2 | 0 | 0 | 0 | 0 | 112.1 | I386 Y387 C401 I402 N403 E407 K408 L409 F573 M577 | I386-C405 WeakPolarHBondContact CD1-SG 3.43Å; Y387-C405 HydrophobicContact CE2-CB 4.23Å; Y387-C405 VanDerWaalsContact OH-CB 3.29Å; Y387-C405 WeakPolarHBondContact OH-CB 3.49Å; C401-C405 WeakPolarHBondContact O-CB 3.41Å; C401-C405 PolarHBondContact O-N 3.29Å; I402-C405 WeakPolarHBondContact O-CB 3.37Å; I402-C405 PolarHBondContact O-N 2.79Å; N403-C405 PolarHBondContact O-N 3.46Å; C405-E407 VanDerWaalsContact C-N 3.33Å; C405-E407 PolarHBondContact O-N 2.92Å; C405-K408 PolarHBondContact O-N 3.18Å; C405-L409 WeakPolarHBondContact O-CG 3.44Å; C405-L409 PolarHBondContact O-N 2.87Å; C405-F573 HydrophobicContact CB-CZ 4.13Å; C405-M577 HydrophobicContact CB-SD 3.96Å; C405-M577 PolarHBondContact SG-SD 3.15Å |
| 406 | N | 81.6 | Confident | 81.7 | Confident | 8 Ų | 8 | 16 Ų | 16 | 4% | 0.043 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -63.8 | -38.8 | 178 | -81.6 | -78.5 | 0 | 0 | 0 | 111.9 | Y387 G388 F389 I402 N403 Y404 L409 Q410 | Y387-N406 PolarHBondContact O-ND2 2.88Å; Y387-N406 PolarHBondContact O-OD1 2.89Å; G388-N406 PolarHBondContact O-ND2 2.88Å; F389-N406 HydrophobicContact CD2-CB 4.07Å; I402-N406 PolarHBondContact O-N 3.03Å; I402-N406 VanDerWaalsContact O-N 3.09Å; I402-N406 PolarHBondContact O-ND2 3.47Å; N403-N406 PolarHBondContact O-N 3.35Å; Y404-N406 VanDerWaalsContact C-N 3.35Å; Y404-N406 PolarHBondContact O-N 3.49Å; N406-L409 PolarHBondContact O-N 3.34Å; N406-Q410 VanDerWaalsContact O-CB 3.26Å; N406-Q410 WeakPolarHBondContact O-CB 3.44Å; N406-Q410 PolarHBondContact O-N 3.43Å |
| 407 | E | 85.1 | Confident | 81.7 | Confident | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.005 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -59.6 | -46.5 | 174.8 | -157.7 | 73.6 | -128.4 | 0 | 0 | 111.2 | N403 Y404 C405 Q410 Q411 N440 I443 V444 H509 Y510 | N403-E407 WeakPolarHBondContact O-CB 3.33Å; N403-E407 PolarHBondContact O-N 2.91Å; Y404-E407 WeakPolarHBondContact O-CB 3.4Å; Y404-E407 PolarHBondContact O-N 3.05Å; C405-E407 VanDerWaalsContact C-N 3.33Å; C405-E407 PolarHBondContact O-N 2.92Å; E407-Q410 PolarHBondContact O-N 3.03Å; E407-Q411 WeakPolarHBondContact O-CB 3.37Å; E407-Q411 PolarHBondContact O-N 3.27Å; E407-N440 PolarHBondContact OE1-ND2 3.34Å; E407-I443 HydrophobicContact CG-CB 3.97Å; E407-I443 HydrophobicContact CG-CG2 3.79Å; E407-V444 HydrophobicContact CB-CG2 4.29Å; E407-V444 HydrophobicContact CG-CG2 3.95Å; E407-H509 IonicContact OE2-CG 2.67Å; E407-H509 IonicContact OE2-ND1 3.75Å; E407-H509 PolarHBondContact OE2-ND1 2.95Å; E407-Y510 VanDerWaalsContact OE1-CD1 3.3Å; E407-Y510 WeakPolarHBondContact OE1-CD1 3.46Å; E407-Y510 WeakPolarHBondContact OE2-CD1 3.46Å |
| 408 | K | 85.8 | Confident | 81.7 | Confident | 20 Ų | 20 | 15.6 Ų | 15.6 | 9% | 0.087 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -67.4 | -40.6 | 180 | -162 | 170.2 | -177.1 | 153.3 | 0 | 112.5 | Y404 C405 Q411 L412 V444 E448 M577 V581 | Y404-K408 PolarHBondContact O-N 3.33Å; Y404-K408 PolarHBondContact OH-NZ 2.99Å; C405-K408 PolarHBondContact O-N 3.18Å; K408-Q411 PolarHBondContact O-N 3.26Å; K408-L412 PolarHBondContact O-N 2.9Å; K408-V444 HydrophobicContact CB-CG2 4.4Å; K408-V444 HydrophobicContact CG-CG1 4.41Å; K408-E448 VanDerWaalsContact NZ-CD 3.29Å; K408-E448 IonicContact NZ-OE1 2.62Å; K408-E448 PolarHBondContact NZ-OE1 3.34Å; K408-E448 VanDerWaalsContact NZ-OE1 3.1Å; K408-E448 IonicContact NZ-OE2 3.51Å; K408-E448 PolarHBondContact NZ-OE2 2.95Å; K408-M577 HydrophobicContact CD-CB 4.4Å; K408-V581 HydrophobicContact CD-CG2 4.01Å; K408-V581 HydrophobicContact CG-CG2 3.9Å |
| 409 | L | 83.6 | Confident | 81.9 | Confident | 21 Ų | 21 | 19.8 Ų | 19.8 | 11% | 0.11 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -66.3 | -38.1 | 173.9 | -72.8 | -179.9 | 0 | 0 | 0 | 112.4 | L384 I386 C405 N406 L412 F413 L584 | L384-L409 HydrophobicContact CD2-CD1 4.43Å; L384-L409 HydrophobicContact CD2-CD2 4.44Å; I386-L409 HydrophobicContact CD1-CD1 3.49Å; I386-L409 VanDerWaalsContact CD1-CD1 3.49Å; I386-L409 HydrophobicContact CG2-CD1 3.92Å; C405-L409 WeakPolarHBondContact O-CG 3.44Å; C405-L409 PolarHBondContact O-N 2.87Å; N406-L409 PolarHBondContact O-N 3.34Å; L409-L412 PolarHBondContact O-N 3.21Å; L409-F413 WeakPolarHBondContact O-CB 3.39Å; L409-F413 PolarHBondContact O-N 3.41Å; L409-L584 HydrophobicContact CD2-CD1 3.57Å |
| 410 | Q | 81.9 | Confident | 81.8 | Confident | 6 Ų | 6 | 21.5 Ų | 21.5 | 3% | 0.028 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -68.1 | -39.1 | 177.2 | -172.4 | 67.2 | 0.4 | 0 | 0 | 111.3 | N406 E407 F413 I414 Y510 | N406-Q410 VanDerWaalsContact O-CB 3.26Å; N406-Q410 WeakPolarHBondContact O-CB 3.44Å; N406-Q410 PolarHBondContact O-N 3.43Å; E407-Q410 PolarHBondContact O-N 3.03Å; Q410-F413 WeakPolarHBondContact O-CB 3.49Å; Q410-F413 PolarHBondContact O-N 3.35Å; Q410-I414 HydrophobicContact CG-CD1 4.23Å; Q410-I414 WeakPolarHBondContact O-CG1 3.3Å; Q410-I414 PolarHBondContact O-N 3.03Å; Q410-Y510 HydrophobicContact CB-CE1 4.25Å; Q410-Y510 HydrophobicContact CB-CE2 4.5Å; Q410-Y510 HydrophobicContact CG-CD2 4.12Å; Q410-Y510 HydrophobicContact CG-CE1 4.42Å; Q410-Y510 HydrophobicContact CG-CE2 3.89Å; Q410-Y510 HydrophobicContact CG-CG 4.44Å |
| 411 | Q | 84.8 | Confident | 81.4 | Confident | 29 Ų | 29 | 22.2 Ų | 22.2 | 14% | 0.136 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.2 | -49.8 | 172.8 | -171 | -148.2 | -41.5 | 0 | 0 | 111.5 | E407 K408 F413 I414 Q415 N440 Q441 | E407-Q411 WeakPolarHBondContact O-CB 3.37Å; E407-Q411 PolarHBondContact O-N 3.27Å; K408-Q411 PolarHBondContact O-N 3.26Å; Q411-F413 VanDerWaalsContact C-N 3.27Å; Q411-F413 PolarHBondContact O-N 3.49Å; Q411-I414 PolarHBondContact O-N 3.09Å; Q411-Q415 WeakPolarHBondContact O-CB 3.26Å; Q411-Q415 PolarHBondContact O-N 3.38Å; Q411-N440 HydrophobicContact CB-CB 3.96Å; Q411-N440 HydrophobicContact CG-CB 4.3Å; Q411-Q441 VanDerWaalsContact CD-OE1 3.24Å |
| 412 | L | 84.4 | Confident | 81.4 | Confident | 13 Ų | 13 | 26.2 Ų | 26.2 | 7% | 0.068 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57.9 | -42.2 | 176.1 | -179.5 | 66.5 | 0 | 0 | 0 | 111.1 | K408 L409 Q415 L416 V581 L584 A585 | K408-L412 PolarHBondContact O-N 2.9Å; L409-L412 PolarHBondContact O-N 3.21Å; L412-Q415 PolarHBondContact O-N 2.78Å; L412-L416 HydrophobicContact CD1-CD1 3.82Å; L412-L416 HydrophobicContact CD1-CG 3.98Å; L412-L416 HydrophobicContact CD2-CD1 4.31Å; L412-L416 HydrophobicContact CG-CD1 3.75Å; L412-L416 HydrophobicContact CG-CG 4.25Å; L412-L416 WeakPolarHBondContact O-CB 2.94Å; L412-L416 VanDerWaalsContact O-CG 3.27Å; L412-L416 WeakPolarHBondContact O-CG 3.44Å; L412-L416 PolarHBondContact O-N 3.17Å; L412-V581 HydrophobicContact CD1-CG1 4.21Å; L412-V581 HydrophobicContact CD2-CG1 4.16Å; L412-L584 HydrophobicContact CD2-CB 3.68Å; L412-L584 HydrophobicContact CD2-CD1 4.21Å; L412-A585 HydrophobicContact CD1-CB 4.1Å |
| 413 | F | 82.1 | Confident | 81.5 | Confident | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.018 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.4 | -52.8 | 177.1 | 169.6 | -115.5 | 0 | 0 | 0 | 112.2 | V45 L409 Q410 Q411 Q415 L416 V417 Y591 N623 | V45-F413 HydrophobicContact CG2-CE2 4.29Å; V45-F413 HydrophobicContact CG2-CZ 4.22Å; L409-F413 WeakPolarHBondContact O-CB 3.39Å; L409-F413 PolarHBondContact O-N 3.41Å; Q410-F413 WeakPolarHBondContact O-CB 3.49Å; Q410-F413 PolarHBondContact O-N 3.35Å; Q411-F413 VanDerWaalsContact C-N 3.27Å; Q411-F413 PolarHBondContact O-N 3.49Å; F413-Q415 VanDerWaalsContact C-N 3.32Å; F413-Q415 PolarHBondContact O-N 2.9Å; F413-L416 PolarHBondContact O-N 2.96Å; F413-V417 HydrophobicContact CD2-CG2 3.72Å; F413-V417 HydrophobicContact CE2-CG2 3.37Å; F413-V417 HydrophobicContact CZ-CG2 3.84Å; F413-V417 WeakPolarHBondContact O-CB 3.31Å; F413-V417 WeakPolarHBondContact O-CG2 3.41Å; F413-V417 PolarHBondContact O-N 3.14Å; F413-Y591 HydrophobicContact CB-CE1 4.19Å; F413-Y591 AromaticContact CD2-CD1 3.88Å; F413-Y591 HydrophobicContact CD2-CD1 3.88Å; F413-Y591 AromaticContact CD2-CD2 3.73Å; F413-Y591 HydrophobicContact CD2-CD2 3.73Å; F413-Y591 AromaticContact CD2-CE1 3.5Å; F413-Y591 HydrophobicContact CD2-CE1 3.5Å; F413-Y591 AromaticContact CD2-CE2 3.33Å; F413-Y591 HydrophobicContact CD2-CE2 3.33Å; F413-Y591 AromaticContact CD2-CG 3.99Å; F413-Y591 HydrophobicContact CD2-CG 3.99Å; F413-Y591 AromaticContact CD2-CZ 3.22Å; F413-Y591 HydrophobicContact CE2-CD1 4.14Å; F413-Y591 AromaticContact CE2-CD2 3.48Å; F413-Y591 HydrophobicContact CE2-CD2 3.48Å; F413-Y591 VanDerWaalsContact CE2-CD2 3.48Å; F413-Y591 HydrophobicContact CE2-CE1 4.18Å; F413-Y591 AromaticContact CE2-CE2 3.54Å; F413-Y591 HydrophobicContact CE2-CE2 3.54Å; F413-Y591 AromaticContact CE2-CG 3.8Å; F413-Y591 HydrophobicContact CE2-CG 3.8Å; F413-Y591 AromaticContact CE2-CZ 3.91Å; F413-Y591 HydrophobicContact CG-CE1 4.17Å; F413-N623 HydrophobicContact CE1-CB 4.28Å; F413-N623 WeakPolarHBondContact CZ-ND2 3.21Å |
| 414 | I | 80.1 | Confident | 81.3 | Confident | 20 Ų | 20 | 31 Ų | 31 | 10% | 0.103 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.3 | -44.8 | -179.3 | -68.2 | 168.8 | 0 | 0 | 0 | 110 | Q410 Q411 V417 L418 Y437 N440 | Q410-I414 HydrophobicContact CG-CD1 4.23Å; Q410-I414 WeakPolarHBondContact O-CG1 3.3Å; Q410-I414 PolarHBondContact O-N 3.03Å; Q411-I414 PolarHBondContact O-N 3.09Å; I414-V417 PolarHBondContact O-N 3.25Å; I414-L418 HydrophobicContact CG2-CD1 3.62Å; I414-L418 HydrophobicContact CG2-CG 4.28Å; I414-L418 VanDerWaalsContact O-CB 3.3Å; I414-L418 WeakPolarHBondContact O-CB 3.36Å; I414-L418 VanDerWaalsContact O-CG 3.25Å; I414-L418 WeakPolarHBondContact O-CG 3.36Å; I414-L418 PolarHBondContact O-N 3.18Å; I414-Y437 HydrophobicContact CG2-CD2 3.57Å; I414-Y437 HydrophobicContact CG2-CE2 3.8Å; I414-Y437 HydrophobicContact CG2-CG 4.22Å; I414-N440 WeakPolarHBondContact CD1-OD1 3.02Å |
| 415 | Q | 81.2 | Confident | 81.2 | Confident | 107 Ų | 107 | 31.2 Ų | 31.2 | 50% | 0.5 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -61.3 | -46.2 | 178.7 | -174.1 | -179.6 | -1.9 | 0 | 0 | 112.2 | Q411 L412 F413 K419 | Q411-Q415 WeakPolarHBondContact O-CB 3.26Å; Q411-Q415 PolarHBondContact O-N 3.38Å; L412-Q415 PolarHBondContact O-N 2.78Å; F413-Q415 VanDerWaalsContact C-N 3.32Å; F413-Q415 PolarHBondContact O-N 2.9Å; Q415-K419 WeakPolarHBondContact O-CB 3.39Å; Q415-K419 PolarHBondContact O-N 3.32Å |
| 416 | L | 80.2 | Confident | 81.3 | Confident | 31 Ų | 31 | 38.7 Ų | 38.7 | 16% | 0.162 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68 | -42.5 | -179.9 | -71.5 | 176.3 | 0 | 0 | 0 | 112 | L412 F413 K419 Q420 P589 | L412-L416 HydrophobicContact CD1-CD1 3.82Å; L412-L416 HydrophobicContact CD1-CG 3.98Å; L412-L416 HydrophobicContact CD2-CD1 4.31Å; L412-L416 HydrophobicContact CG-CD1 3.75Å; L412-L416 HydrophobicContact CG-CG 4.25Å; L412-L416 WeakPolarHBondContact O-CB 2.94Å; L412-L416 VanDerWaalsContact O-CG 3.27Å; L412-L416 WeakPolarHBondContact O-CG 3.44Å; L412-L416 PolarHBondContact O-N 3.17Å; F413-L416 PolarHBondContact O-N 2.96Å; L416-K419 PolarHBondContact O-N 3.46Å; L416-Q420 VanDerWaalsContact O-CB 3.27Å; L416-Q420 WeakPolarHBondContact O-CB 3.15Å; L416-Q420 PolarHBondContact O-N 2.99Å; L416-P589 HydrophobicContact CB-CG 4.43Å; L416-P589 HydrophobicContact CD1-CG 3.88Å |
| 417 | V | 78.4 | Confident | 81.5 | Confident | 5 Ų | 5 | 45.4 Ų | 45.4 | 3% | 0.03 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.2 | -46 | 177.3 | 170.1 | 0 | 0 | 0 | 0 | 111 | F413 I414 Q420 E421 V626 | F413-V417 HydrophobicContact CD2-CG2 3.72Å; F413-V417 HydrophobicContact CE2-CG2 3.37Å; F413-V417 HydrophobicContact CZ-CG2 3.84Å; F413-V417 WeakPolarHBondContact O-CB 3.31Å; F413-V417 WeakPolarHBondContact O-CG2 3.41Å; F413-V417 PolarHBondContact O-N 3.14Å; I414-V417 PolarHBondContact O-N 3.25Å; V417-Q420 PolarHBondContact O-N 3.32Å; V417-E421 WeakPolarHBondContact O-CG 3.47Å; V417-E421 PolarHBondContact O-N 3.35Å; V417-V626 HydrophobicContact CG1-CG1 4.37Å |
| 418 | L | 78.1 | Confident | 81.5 | Confident | 11 Ų | 11 | 45.8 Ų | 45.8 | 6% | 0.058 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.1 | -45.7 | 177.1 | -74.7 | 171.3 | 0 | 0 | 0 | 111.5 | I414 Q420 E421 Q422 W432 I435 Y437 V626 | I414-L418 HydrophobicContact CG2-CD1 3.62Å; I414-L418 HydrophobicContact CG2-CG 4.28Å; I414-L418 VanDerWaalsContact O-CB 3.3Å; I414-L418 WeakPolarHBondContact O-CB 3.36Å; I414-L418 VanDerWaalsContact O-CG 3.25Å; I414-L418 WeakPolarHBondContact O-CG 3.36Å; I414-L418 PolarHBondContact O-N 3.18Å; L418-Q420 PolarHBondContact O-N 3.15Å; L418-E421 PolarHBondContact O-N 3.13Å; L418-Q422 WeakPolarHBondContact O-CB 3.37Å; L418-Q422 WeakPolarHBondContact O-CG 3.3Å; L418-Q422 PolarHBondContact O-N 2.97Å; L418-W432 HydrophobicContact CD2-CH2 4.37Å; L418-W432 HydrophobicContact CD2-CZ2 4.24Å; L418-I435 HydrophobicContact CD2-CD1 4.48Å; L418-Y437 HydrophobicContact CD1-CD1 3.68Å; L418-Y437 HydrophobicContact CD1-CD2 4.29Å; L418-Y437 HydrophobicContact CD1-CE1 3.44Å; L418-Y437 VanDerWaalsContact CD1-CE1 3.44Å; L418-Y437 HydrophobicContact CD1-CE2 4.08Å; L418-Y437 HydrophobicContact CD1-CG 4.11Å; L418-V626 HydrophobicContact CD2-CG1 3.63Å; L418-V626 HydrophobicContact CG-CG1 4.25Å |
| 419 | K | 78.7 | Confident | 81.3 | Confident | 113 Ų | 113 | 47.6 Ų | 47.6 | 49% | 0.491 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.1 | -44.8 | 178 | -176 | 177.3 | 176.7 | -178.1 | 0 | 111.7 | Q415 L416 E421 Q422 E423 | Q415-K419 WeakPolarHBondContact O-CB 3.39Å; Q415-K419 PolarHBondContact O-N 3.32Å; L416-K419 PolarHBondContact O-N 3.46Å; K419-E421 PolarHBondContact O-N 3.03Å; K419-Q422 PolarHBondContact O-N 3.18Å; K419-E423 WeakPolarHBondContact CE-OE1 3.32Å; K419-E423 WeakPolarHBondContact O-CB 3.26Å; K419-E423 WeakPolarHBondContact O-CG 3.44Å; K419-E423 PolarHBondContact O-N 3.03Å |
| 420 | Q | 76.7 | Confident | 81.3 | Confident | 53 Ų | 53 | 47.2 Ų | 47.2 | 25% | 0.248 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.5 | -42.4 | 178.5 | -173.6 | -175.5 | -1.6 | 0 | 0 | 112 | E44 L416 V417 L418 E424 | E44-Q420 PolarHBondContact OE2-NE2 3.22Å; L416-Q420 VanDerWaalsContact O-CB 3.27Å; L416-Q420 WeakPolarHBondContact O-CB 3.15Å; L416-Q420 PolarHBondContact O-N 2.99Å; V417-Q420 PolarHBondContact O-N 3.32Å; L418-Q420 PolarHBondContact O-N 3.15Å; Q420-E424 WeakPolarHBondContact O-CB 3.29Å; Q420-E424 PolarHBondContact O-N 3.21Å |
| 421 | E | 76 | Confident | 81.2 | Confident | 16 Ų | 16 | 52 Ų | 52 | 8% | 0.075 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.6 | -38.7 | 177.1 | -71.1 | -62.3 | 129.5 | 0 | 0 | 112 | V417 L418 K419 E424 Y425 W432 R634 | V417-E421 WeakPolarHBondContact O-CG 3.47Å; V417-E421 PolarHBondContact O-N 3.35Å; L418-E421 PolarHBondContact O-N 3.13Å; K419-E421 PolarHBondContact O-N 3.03Å; E421-E424 PolarHBondContact O-N 3.36Å; E421-Y425 WeakPolarHBondContact O-CD1 3.46Å; E421-Y425 PolarHBondContact O-N 3.3Å; E421-W432 HydrophobicContact CB-CH2 4.09Å; E421-W432 HydrophobicContact CB-CZ3 3.88Å; E421-R634 IonicContact OE1-CZ 3.98Å; E421-R634 IonicContact OE1-NH1 3.57Å; E421-R634 PolarHBondContact OE1-NH1 3.26Å; E421-R634 IonicContact OE1-NH2 2.7Å; E421-R634 PolarHBondContact OE1-NH2 2.86Å; E421-R634 IonicContact OE2-NH1 3.35Å; E421-R634 PolarHBondContact OE2-NH1 2.82Å |
| 422 | Q | 80 | Confident | 80.9 | Confident | 86 Ų | 86 | 54.7 Ų | 54.7 | 40% | 0.402 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.2 | -47.5 | 174.1 | -74.4 | 171 | 8.9 | 0 | 0 | 111.9 | L418 K419 E424 Y425 Q426 W432 | L418-Q422 WeakPolarHBondContact O-CB 3.37Å; L418-Q422 WeakPolarHBondContact O-CG 3.3Å; L418-Q422 PolarHBondContact O-N 2.97Å; K419-Q422 PolarHBondContact O-N 3.18Å; Q422-E424 VanDerWaalsContact C-N 3.32Å; Q422-E424 PolarHBondContact O-N 2.91Å; Q422-Y425 PolarHBondContact O-N 3.08Å; Q422-Q426 WeakPolarHBondContact O-CB 3.48Å; Q422-Q426 PolarHBondContact O-N 3.07Å; Q422-W432 HydrophobicContact CB-CE3 4.46Å; Q422-W432 HydrophobicContact CG-CD2 3.76Å; Q422-W432 HydrophobicContact CG-CE3 3.79Å; Q422-W432 HydrophobicContact CG-CH2 3.8Å; Q422-W432 HydrophobicContact CG-CZ2 3.72Å; Q422-W432 HydrophobicContact CG-CZ3 3.82Å |
| 423 | E | 82.1 | Confident | 80.5 | Confident | 83 Ų | 83 | 59.6 Ų | 59.6 | 39% | 0.388 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.3 | -39.6 | 177.8 | -75.9 | 178.2 | -170.5 | 0 | 0 | 111.9 | K419 R427 | K419-E423 WeakPolarHBondContact CE-OE1 3.32Å; K419-E423 WeakPolarHBondContact O-CB 3.26Å; K419-E423 WeakPolarHBondContact O-CG 3.44Å; K419-E423 PolarHBondContact O-N 3.03Å; E423-R427 VanDerWaalsContact O-CB 3.29Å; E423-R427 WeakPolarHBondContact O-CB 3.49Å; E423-R427 PolarHBondContact O-N 3.19Å |
| 424 | E | 79.1 | Confident | 80 | Confident | 19 Ų | 19 | 66.7 Ų | 66.7 | 9% | 0.089 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.4 | -42.6 | 177.7 | -173.2 | 70.7 | 178.3 | 0 | 0 | 111.4 | Q420 E421 Q422 Q426 R427 E428 K683 | Q420-E424 WeakPolarHBondContact O-CB 3.29Å; Q420-E424 PolarHBondContact O-N 3.21Å; E421-E424 PolarHBondContact O-N 3.36Å; Q422-E424 VanDerWaalsContact C-N 3.32Å; Q422-E424 PolarHBondContact O-N 2.91Å; E424-Q426 VanDerWaalsContact C-N 3.34Å; E424-R427 WeakPolarHBondContact O-CB 3.18Å; E424-R427 PolarHBondContact O-N 2.78Å; E424-R427 IonicContact OE2-CZ 2.99Å; E424-R427 IonicContact OE2-NH1 3.3Å; E424-R427 PolarHBondContact OE2-NH1 3.07Å; E424-E428 WeakPolarHBondContact O-CB 3.3Å; E424-E428 WeakPolarHBondContact O-CG 3.38Å; E424-E428 PolarHBondContact O-N 3.27Å; E424-K683 IonicContact OE1-NZ 3.65Å; E424-K683 PolarHBondContact OE1-NZ 2.85Å |
| 425 | Y | 82.3 | Confident | 79.5 | Confident | 8 Ų | 8 | 66.4 Ų | 66.4 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.8 | -37.7 | 178.1 | -74.9 | 14.1 | 0 | 0 | 0 | 111.5 | E421 Q422 E428 G429 I430 W432 G630 F631 F685 | E421-Y425 WeakPolarHBondContact O-CD1 3.46Å; E421-Y425 PolarHBondContact O-N 3.3Å; Q422-Y425 PolarHBondContact O-N 3.08Å; Y425-E428 CarbonylContact O-C 3.52Å; Y425-E428 PolarHBondContact O-N 2.91Å; Y425-G429 PolarHBondContact O-N 2.93Å; Y425-I430 HydrophobicContact CD2-CG2 4.34Å; Y425-I430 HydrophobicContact CG-CB 4.38Å; Y425-I430 HydrophobicContact CG-CG2 4.46Å; Y425-I430 PolarHBondContact O-N 2.99Å; Y425-W432 AromaticContact CD2-CE3 3.45Å; Y425-W432 HydrophobicContact CD2-CE3 3.45Å; Y425-W432 VanDerWaalsContact CD2-CE3 3.45Å; Y425-W432 AromaticContact CD2-CZ3 3.89Å; Y425-W432 HydrophobicContact CD2-CZ3 3.89Å; Y425-W432 AromaticContact CE2-CE3 3.82Å; Y425-W432 HydrophobicContact CE2-CE3 3.82Å; Y425-W432 AromaticContact CE2-CZ3 3.88Å; Y425-W432 HydrophobicContact CE2-CZ3 3.88Å; Y425-W432 HydrophobicContact CG-CE3 4.19Å; Y425-G630 WeakPolarHBondContact OH-CA 3.5Å; Y425-F631 HydrophobicContact CE1-CD2 4.21Å; Y425-F631 HydrophobicContact CE2-CD2 4.06Å; Y425-F631 HydrophobicContact CE2-CE2 4.24Å; Y425-F631 AromaticContact CZ-CD2 3.67Å; Y425-F631 WeakPolarHBondContact OH-CD2 3.44Å; Y425-F631 PolarHBondContact OH-N 2.86Å; Y425-F685 HydrophobicContact CD1-CE1 4.2Å; Y425-F685 HydrophobicContact CE1-CD1 4.25Å; Y425-F685 AromaticContact CE1-CE1 3.88Å; Y425-F685 HydrophobicContact CE1-CE1 3.88Å |
| 426 | Q | 85 | Confident | 78.9 | Confident | 158 Ų | 158 | 68.4 Ų | 68.4 | 74% | 0.738 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -63.8 | -43.4 | 173.6 | -170.2 | 177.9 | 19.3 | 0 | 0 | 111.5 | Q422 E424 E428 G429 | Q422-Q426 WeakPolarHBondContact O-CB 3.48Å; Q422-Q426 PolarHBondContact O-N 3.07Å; E424-Q426 VanDerWaalsContact C-N 3.34Å; Q426-E428 VanDerWaalsContact C-N 3.33Å; Q426-E428 PolarHBondContact O-N 3.44Å; Q426-G429 PolarHBondContact O-N 2.95Å |
| 427 | R | 85.1 | Confident | 78.5 | Confident | 149 Ų | 149 | 72 Ų | 72 | 56% | 0.562 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -59.8 | -44.4 | 176.6 | -173.2 | -178.2 | -63.6 | 141.2 | 2.8 | 111.5 | E423 E424 K681 | E423-R427 VanDerWaalsContact O-CB 3.29Å; E423-R427 WeakPolarHBondContact O-CB 3.49Å; E423-R427 PolarHBondContact O-N 3.19Å; E424-R427 WeakPolarHBondContact O-CB 3.18Å; E424-R427 PolarHBondContact O-N 2.78Å; E424-R427 IonicContact OE2-CZ 2.99Å; E424-R427 IonicContact OE2-NH1 3.3Å; E424-R427 PolarHBondContact OE2-NH1 3.07Å; R427-K681 WeakPolarHBondContact O-CD 3.26Å; R427-K681 PolarHBondContact O-NZ 3.48Å |
| 428 | E | 85 | Confident | 78.2 | Confident | 9 Ų | 9 | 75.8 Ų | 75.8 | 4% | 0.042 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -83 | -9.9 | -178.4 | -68.6 | -69.2 | 151.6 | 0 | 0 | 114 | E424 Y425 Q426 I430 G680 K681 T682 K683 F685 | E424-E428 WeakPolarHBondContact O-CB 3.3Å; E424-E428 WeakPolarHBondContact O-CG 3.38Å; E424-E428 PolarHBondContact O-N 3.27Å; Y425-E428 CarbonylContact O-C 3.52Å; Y425-E428 PolarHBondContact O-N 2.91Å; Q426-E428 VanDerWaalsContact C-N 3.33Å; Q426-E428 PolarHBondContact O-N 3.44Å; E428-I430 HydrophobicContact CB-CD1 4.1Å; E428-I430 HydrophobicContact CB-CG1 4.22Å; E428-G680 WeakPolarHBondContact O-CA 2.88Å; E428-K681 PolarHBondContact O-N 3.17Å; E428-K681 PolarHBondContact OE2-N 2.88Å; E428-T682 PolarHBondContact OE1-OG1 3.4Å; E428-T682 PolarHBondContact OE2-N 2.97Å; E428-K683 PolarHBondContact OE2-N 3.16Å; E428-F685 HydrophobicContact CB-CE2 4Å; E428-F685 HydrophobicContact CB-CZ 4.16Å; E428-F685 HydrophobicContact CG-CE2 3.88Å; E428-F685 HydrophobicContact CG-CZ 3.85Å |
| 429 | G | 82.4 | Confident | 78.2 | Confident | 58 Ų | 58 | 78.7 Ų | 78.7 | 60% | 0.598 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | 33.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y425 Q426 | Y425-G429 PolarHBondContact O-N 2.93Å; Q426-G429 PolarHBondContact O-N 2.95Å |
| 430 | I | 83.7 | Confident | 78.3 | Confident | 14 Ų | 14 | 73.6 Ų | 73.6 | 7% | 0.072 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -103 | 136.4 | -175.7 | -62.2 | 178.1 | 0 | 0 | 0 | 109.9 | Y425 E428 W432 F631 A678 F685 | Y425-I430 HydrophobicContact CD2-CG2 4.34Å; Y425-I430 HydrophobicContact CG-CB 4.38Å; Y425-I430 HydrophobicContact CG-CG2 4.46Å; Y425-I430 PolarHBondContact O-N 2.99Å; E428-I430 HydrophobicContact CB-CD1 4.1Å; E428-I430 HydrophobicContact CB-CG1 4.22Å; I430-W432 PolarHBondContact O-N 3.46Å; I430-F631 HydrophobicContact CG2-CD2 4.42Å; I430-F631 HydrophobicContact CG2-CE2 3.46Å; I430-F631 VanDerWaalsContact CG2-CE2 3.46Å; I430-F631 HydrophobicContact CG2-CZ 3.97Å; I430-A678 HydrophobicContact CD1-CB 4.46Å; I430-A678 HydrophobicContact CG2-CB 4.4Å; I430-F685 HydrophobicContact CD1-CB 4.21Å; I430-F685 HydrophobicContact CD1-CD1 4.03Å; I430-F685 HydrophobicContact CD1-CD2 3.15Å; I430-F685 HydrophobicContact CD1-CE1 4.16Å; I430-F685 HydrophobicContact CD1-CE2 3.3Å; I430-F685 HydrophobicContact CD1-CG 3.54Å; I430-F685 HydrophobicContact CD1-CZ 3.82Å |
| 431 | P | 80.2 | Confident | 78.6 | Confident | 106 Ų | 106 | 74.1 Ų | 74.1 | 69% | 0.688 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 124.3 | 179.4 | 26.4 | -34 | 0 | 0 | 0 | 111.4 | ||
| 432 | W | 78.3 | Confident | 79.1 | Confident | 85 Ų | 85 | 76.7 Ų | 76.7 | 32% | 0.322 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 134.6 | 174.8 | -178.7 | -100.3 | 0 | 0 | 0 | 110.8 | L418 E421 Q422 Y425 I430 I435 | L418-W432 HydrophobicContact CD2-CH2 4.37Å; L418-W432 HydrophobicContact CD2-CZ2 4.24Å; E421-W432 HydrophobicContact CB-CH2 4.09Å; E421-W432 HydrophobicContact CB-CZ3 3.88Å; Q422-W432 HydrophobicContact CB-CE3 4.46Å; Q422-W432 HydrophobicContact CG-CD2 3.76Å; Q422-W432 HydrophobicContact CG-CE3 3.79Å; Q422-W432 HydrophobicContact CG-CH2 3.8Å; Q422-W432 HydrophobicContact CG-CZ2 3.72Å; Q422-W432 HydrophobicContact CG-CZ3 3.82Å; Y425-W432 AromaticContact CD2-CE3 3.45Å; Y425-W432 HydrophobicContact CD2-CE3 3.45Å; Y425-W432 VanDerWaalsContact CD2-CE3 3.45Å; Y425-W432 AromaticContact CD2-CZ3 3.89Å; Y425-W432 HydrophobicContact CD2-CZ3 3.89Å; Y425-W432 AromaticContact CE2-CE3 3.82Å; Y425-W432 HydrophobicContact CE2-CE3 3.82Å; Y425-W432 AromaticContact CE2-CZ3 3.88Å; Y425-W432 HydrophobicContact CE2-CZ3 3.88Å; Y425-W432 HydrophobicContact CG-CE3 4.19Å; I430-W432 PolarHBondContact O-N 3.46Å; W432-I435 HydrophobicContact CH2-CD1 3.84Å; W432-I435 HydrophobicContact CZ2-CD1 3.84Å; W432-I435 HydrophobicContact CZ2-CG1 4.28Å |
| 433 | K | 75.3 | Confident | 79.3 | Confident | 117 Ų | 117 | 72.6 Ų | 72.6 | 51% | 0.509 | 36% | 0.356 | S | S | . | . | trans | -104.7 | 135.2 | 169.8 | -68.5 | -173.7 | -179.8 | -175.4 | 0 | 108.7 | I435 | K433-I435 PolarHBondContact O-N 2.8Š| ||
| 434 | H | 72.4 | Confident | 79.5 | Confident | 152 Ų | 152 | 68.8 Ų | 68.8 | 70% | 0.704 | 34% | 0.338 | S | S | * | . | trans | -60.2 | 132.9 | 173.6 | -169.7 | -89.5 | 0 | 0 | 0 | 109.6 | D436 | H434-D436 IonicContact CE1-OD1 3.79Å; H434-D436 IonicContact ND1-OD1 3.98Å; H434-D436 PolarHBondContact ND1-OD1 3.45Å | ||
| 435 | I | 70.1 | Confident | 79.8 | Confident | 15 Ų | 15 | 71 Ų | 71 | 8% | 0.077 | 35% | 0.351 | C | S | . | . | trans | -113 | 125.5 | 178.9 | -55.6 | 171.5 | 0 | 0 | 0 | 106.1 | L418 W432 K433 Y437 V626 A629 | L418-I435 HydrophobicContact CD2-CD1 4.48Å; W432-I435 HydrophobicContact CH2-CD1 3.84Å; W432-I435 HydrophobicContact CZ2-CD1 3.84Å; W432-I435 HydrophobicContact CZ2-CG1 4.28Å; K433-I435 PolarHBondContact O-N 2.8Å; I435-Y437 WeakPolarHBondContact O-CD1 3.34Å; I435-Y437 PolarHBondContact O-N 2.82Å; I435-V626 HydrophobicContact CG2-CG2 4.46Å; I435-A629 HydrophobicContact CB-CB 4.28Å; I435-A629 HydrophobicContact CD1-CB 3.75Å; I435-A629 HydrophobicContact CG1-CB 3.65Å; I435-A629 HydrophobicContact CG2-CB 3.71Å | ||
| 436 | D | 68.6 | Low | 80 | Confident | 148 Ų | 148 | 70.7 Ų | 70.7 | 79% | 0.791 | 35% | 0.35 | S | S | * | . | trans | -76.9 | 119.5 | 173.5 | -58.2 | -30.7 | 0 | 0 | 0 | 108.6 | H434 | H434-D436 IonicContact CE1-OD1 3.79Å; H434-D436 IonicContact ND1-OD1 3.98Å; H434-D436 PolarHBondContact ND1-OD1 3.45Å | ||
| 437 | Y | 71.8 | Confident | 80 | Confident | 106 Ų | 106 | 63.2 Ų | 63.2 | 42% | 0.416 | 32% | 0.315 | S | S | . | . | trans | -130.7 | 156.6 | 177.2 | 67.6 | -87.1 | 0 | 0 | 0 | 110.2 | I414 L418 I435 N439 | I414-Y437 HydrophobicContact CG2-CD2 3.57Å; I414-Y437 HydrophobicContact CG2-CE2 3.8Å; I414-Y437 HydrophobicContact CG2-CG 4.22Å; L418-Y437 HydrophobicContact CD1-CD1 3.68Å; L418-Y437 HydrophobicContact CD1-CD2 4.29Å; L418-Y437 HydrophobicContact CD1-CE1 3.44Å; L418-Y437 VanDerWaalsContact CD1-CE1 3.44Å; L418-Y437 HydrophobicContact CD1-CE2 4.08Å; L418-Y437 HydrophobicContact CD1-CG 4.11Å; I435-Y437 WeakPolarHBondContact O-CD1 3.34Å; I435-Y437 PolarHBondContact O-N 2.82Å; Y437-N439 PolarHBondContact O-N 2.99Å | ||
| 438 | F | 71.9 | Confident | 80 | Confident | 85 Ų | 85 | 57.7 Ų | 57.7 | 37% | 0.373 | 30% | 0.296 | S | S | . | . | trans | -69.8 | 122.8 | 176.8 | -175.2 | -99.9 | 0 | 0 | 0 | 110 | N440 I443 H486 | F438-N440 WeakPolarHBondContact CD1-OD1 3.37Å; F438-N440 PolarHBondContact O-N 2.88Å; F438-N440 PolarHBondContact O-OD1 3.28Å; F438-I443 HydrophobicContact CE1-CD1 3.71Å; F438-I443 HydrophobicContact CZ-CD1 3.84Å; F438-H486 AromaticContact CZ-CE1 3.97Å | ||
| 439 | N | 76.7 | Confident | 79.9 | Confident | 73 Ų | 73 | 61.5 Ų | 61.5 | 39% | 0.39 | 31% | 0.313 | S | S | . | . | trans | -88 | 94.3 | -177.1 | -171.5 | -0.4 | 0 | 0 | 0 | 111.6 | Y437 Q441 I442 | Y437-N439 PolarHBondContact O-N 2.99Å; N439-Q441 PolarHBondContact O-N 2.92Å; N439-Q441 WeakPolarHBondContact OD1-CB 3.38Å; N439-Q441 PolarHBondContact OD1-N 3.36Å; N439-Q441 VanDerWaalsContact OD1-N 3.1Å; N439-I442 HydrophobicContact CB-CD1 4.3Å | ||
| 440 | N | 81.1 | Confident | 79.5 | Confident | 5 Ų | 5 | 65.2 Ų | 65.2 | 3% | 0.027 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -18.3 | 178.4 | -60 | 59.9 | 0 | 0 | 0 | 113.7 | E407 Q411 I414 F438 I442 I443 V444 Y510 | E407-N440 PolarHBondContact OE1-ND2 3.34Å; Q411-N440 HydrophobicContact CB-CB 3.96Å; Q411-N440 HydrophobicContact CG-CB 4.3Å; I414-N440 WeakPolarHBondContact CD1-OD1 3.02Å; F438-N440 WeakPolarHBondContact CD1-OD1 3.37Å; F438-N440 PolarHBondContact O-N 2.88Å; F438-N440 PolarHBondContact O-OD1 3.28Å; N440-I442 PolarHBondContact O-N 3.38Å; N440-I443 PolarHBondContact O-N 3.49Å; N440-I443 VanDerWaalsContact O-N 3.07Å; N440-V444 PolarHBondContact O-N 2.95Å; N440-V444 VanDerWaalsContact O-N 3.14Å; N440-Y510 WeakPolarHBondContact ND2-CB 3.26Å |
| 441 | Q | 83.1 | Confident | 78.9 | Confident | 65 Ų | 65 | 70.8 Ų | 70.8 | 30% | 0.304 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -57.5 | -34.9 | -179.5 | -176.8 | 69.1 | 65.8 | 0 | 0 | 111.6 | Q411 N439 I443 V444 D445 | Q411-Q441 VanDerWaalsContact CD-OE1 3.24Å; N439-Q441 PolarHBondContact O-N 2.92Å; N439-Q441 WeakPolarHBondContact OD1-CB 3.38Å; N439-Q441 PolarHBondContact OD1-N 3.36Å; N439-Q441 VanDerWaalsContact OD1-N 3.1Å; Q441-I443 PolarHBondContact O-N 2.92Å; Q441-V444 PolarHBondContact O-N 2.75Å; Q441-D445 PolarHBondContact NE2-OD1 2.95Å; Q441-D445 WeakPolarHBondContact O-CB 3.09Å; Q441-D445 PolarHBondContact O-N 2.84Å |
| 442 | I | 86.1 | Confident | 78.7 | Confident | 69 Ų | 69 | 72 Ų | 72 | 35% | 0.354 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.9 | -34.8 | -179 | -56.1 | 170.7 | 0 | 0 | 0 | 111.3 | N439 N440 L446 | N439-I442 HydrophobicContact CB-CD1 4.3Å; N440-I442 PolarHBondContact O-N 3.38Å; I442-L446 WeakPolarHBondContact O-CB 3.43Å; I442-L446 PolarHBondContact O-N 2.94Å; I442-L446 VanDerWaalsContact O-N 3.14Å |
| 443 | I | 85.4 | Confident | 78.9 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -80.1 | -38.1 | 178.8 | -57.9 | 161.7 | 0 | 0 | 0 | 110.2 | E407 F438 N440 Q441 D445 L446 V447 H486 I507 R508 | E407-I443 HydrophobicContact CG-CB 3.97Å; E407-I443 HydrophobicContact CG-CG2 3.79Å; F438-I443 HydrophobicContact CE1-CD1 3.71Å; F438-I443 HydrophobicContact CZ-CD1 3.84Å; N440-I443 PolarHBondContact O-N 3.49Å; N440-I443 VanDerWaalsContact O-N 3.07Å; Q441-I443 PolarHBondContact O-N 2.92Å; I443-D445 VanDerWaalsContact C-N 3.34Å; I443-L446 WeakPolarHBondContact O-CB 3.33Å; I443-L446 PolarHBondContact O-N 2.79Å; I443-V447 PolarHBondContact O-N 2.86Å; I443-H486 HydrophobicContact CG1-CB 4.49Å; I443-I507 HydrophobicContact CG2-CG2 4.32Å; I443-R508 WeakPolarHBondContact CD1-O 3.29Å |
| 444 | V | 85.3 | Confident | 79.4 | Confident | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.012 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 174.7 | 176.7 | 0 | 0 | 0 | 0 | 110.5 | Y404 E407 K408 N440 Q441 V447 E448 | Y404-V444 HydrophobicContact CE2-CG1 4.2Å; E407-V444 HydrophobicContact CB-CG2 4.29Å; E407-V444 HydrophobicContact CG-CG2 3.95Å; K408-V444 HydrophobicContact CB-CG2 4.4Å; K408-V444 HydrophobicContact CG-CG1 4.41Å; N440-V444 PolarHBondContact O-N 2.95Å; N440-V444 VanDerWaalsContact O-N 3.14Å; Q441-V444 PolarHBondContact O-N 2.75Å; V444-V447 PolarHBondContact O-N 2.82Å; V444-E448 VanDerWaalsContact O-CB 3.29Å; V444-E448 WeakPolarHBondContact O-CB 3.16Å; V444-E448 PolarHBondContact O-N 3.35Å |
| 445 | D | 86.3 | Confident | 80 | Confident | 67 Ų | 67 | 55.4 Ų | 55.4 | 36% | 0.358 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.3 | -41.6 | 175.9 | -70.5 | -15 | 0 | 0 | 0 | 111.6 | Q441 I443 V447 E448 Q449 | Q441-D445 PolarHBondContact NE2-OD1 2.95Å; Q441-D445 WeakPolarHBondContact O-CB 3.09Å; Q441-D445 PolarHBondContact O-N 2.84Å; I443-D445 VanDerWaalsContact C-N 3.34Å; D445-V447 PolarHBondContact O-N 3.39Å; D445-V447 VanDerWaalsContact O-N 3.15Å; D445-E448 PolarHBondContact O-N 3.04Å; D445-Q449 WeakPolarHBondContact O-CB 3.36Å; D445-Q449 PolarHBondContact O-N 3.43Å |
| 446 | L | 86.1 | Confident | 80.7 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -54.2 | -35.1 | 175.2 | 176.4 | 65.1 | 0 | 0 | 0 | 112.3 | I442 I443 G453 I454 L481 H484 H486 F487 I507 | I442-L446 WeakPolarHBondContact O-CB 3.43Å; I442-L446 PolarHBondContact O-N 2.94Å; I442-L446 VanDerWaalsContact O-N 3.14Å; I443-L446 WeakPolarHBondContact O-CB 3.33Å; I443-L446 PolarHBondContact O-N 2.79Å; L446-G453 VanDerWaalsContact O-CA 3.24Å; L446-G453 WeakPolarHBondContact O-CA 3.5Å; L446-I454 HydrophobicContact CG-CD1 4.38Å; L446-I454 PolarHBondContact O-N 2.83Å; L446-I454 VanDerWaalsContact O-N 3.13Å; L446-L481 HydrophobicContact CD1-CD1 4.02Å; L446-L481 HydrophobicContact CD1-CD2 3.53Å; L446-L481 HydrophobicContact CD1-CG 4.27Å; L446-H484 HydrophobicContact CD1-CB 4.09Å; L446-H486 HydrophobicContact CD2-CB 4.34Å; L446-F487 HydrophobicContact CD2-CB 4.36Å; L446-I507 HydrophobicContact CD2-CG2 4.48Å |
| 447 | V | 85.2 | Confident | 81.4 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -87.8 | -43.9 | -179.4 | 179.1 | 0 | 0 | 0 | 0 | 111.9 | F400 Y404 I443 V444 D445 I454 F455 | F400-V447 HydrophobicContact CE1-CG1 4.13Å; F400-V447 HydrophobicContact CE2-CG2 4.13Å; F400-V447 HydrophobicContact CZ-CB 4.41Å; F400-V447 HydrophobicContact CZ-CG1 3.71Å; F400-V447 HydrophobicContact CZ-CG2 3.89Å; Y404-V447 HydrophobicContact CD2-CB 3.62Å; Y404-V447 HydrophobicContact CD2-CG1 3.38Å; Y404-V447 HydrophobicContact CD2-CG2 4.06Å; Y404-V447 HydrophobicContact CE2-CB 3.91Å; Y404-V447 HydrophobicContact CE2-CG1 3.75Å; Y404-V447 HydrophobicContact CG-CG1 3.92Å; I443-V447 PolarHBondContact O-N 2.86Å; V444-V447 PolarHBondContact O-N 2.82Å; D445-V447 PolarHBondContact O-N 3.39Å; D445-V447 VanDerWaalsContact O-N 3.15Å; V447-I454 HydrophobicContact CG2-CD1 4.39Å; V447-I454 PolarHBondContact O-N 3Å; V447-F455 HydrophobicContact CG1-CD2 3.59Å; V447-F455 HydrophobicContact CG1-CE1 4.38Å; V447-F455 HydrophobicContact CG1-CE2 3.39Å; V447-F455 HydrophobicContact CG1-CG 4.17Å; V447-F455 HydrophobicContact CG1-CZ 3.82Å; V447-F455 PolarHBondContact O-N 2.94Å |
| 448 | E | 84.6 | Confident | 81.8 | Confident | 33 Ų | 33 | 43.9 Ų | 43.9 | 15% | 0.154 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -96.9 | -19.9 | -165 | -169.9 | 170.9 | -179.6 | 0 | 0 | 114.8 | Y404 K408 V444 D445 Q450 K574 I578 | Y404-E448 HydrophobicContact CE2-CB 4.28Å; Y404-E448 PolarHBondContact OH-OE2 2.96Å; K408-E448 VanDerWaalsContact NZ-CD 3.29Å; K408-E448 IonicContact NZ-OE1 2.62Å; K408-E448 PolarHBondContact NZ-OE1 3.34Å; K408-E448 VanDerWaalsContact NZ-OE1 3.1Å; K408-E448 IonicContact NZ-OE2 3.51Å; K408-E448 PolarHBondContact NZ-OE2 2.95Å; V444-E448 VanDerWaalsContact O-CB 3.29Å; V444-E448 WeakPolarHBondContact O-CB 3.16Å; V444-E448 PolarHBondContact O-N 3.35Å; D445-E448 PolarHBondContact O-N 3.04Å; E448-Q450 PolarHBondContact O-N 3.39Å; E448-K574 HydrophobicContact CG-CD 3.8Å; E448-K574 HydrophobicContact CG-CG 4.18Å; E448-K574 PolarHBondContact O-NZ 3.05Å; E448-K574 WeakPolarHBondContact OE1-CE 3.28Å; E448-I578 VanDerWaalsContact OE1-CD1 3.31Å; E448-I578 WeakPolarHBondContact OE1-CD1 3.33Å; E448-I578 WeakPolarHBondContact OE1-CG1 3.35Å |
| 449 | Q | 83.2 | Confident | 82.1 | Confident | 89 Ų | 89 | 41 Ų | 41 | 42% | 0.416 | 20% | 0.199 | S | C | . | . | trans | -55.3 | 130 | -170.9 | -175.5 | 173.9 | 43.4 | 0 | 0 | 111.5 | D445 H451 K452 G453 S456 | D445-Q449 WeakPolarHBondContact O-CB 3.36Å; D445-Q449 PolarHBondContact O-N 3.43Å; Q449-H451 PolarHBondContact O-N 3.04Å; Q449-K452 HydrophobicContact CG-CB 4.18Å; Q449-K452 PolarHBondContact O-N 3.15Å; Q449-G453 WeakPolarHBondContact O-CA 3.22Å; Q449-G453 PolarHBondContact O-N 2.86Å; Q449-S456 PolarHBondContact O-OG 3.47Å | ||
| 450 | Q | 73.6 | Confident | 82.2 | Confident | 136 Ų | 136 | 41.3 Ų | 41.3 | 64% | 0.636 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 131.7 | -177.9 | -152.1 | 164.2 | -4.2 | 0 | 0 | 110.2 | E448 K452 | E448-Q450 PolarHBondContact O-N 3.39Å; Q450-K452 PolarHBondContact O-N 2.97Å |
| 451 | H | 71.6 | Confident | 82 | Confident | 131 Ų | 131 | 41.6 Ų | 41.6 | 61% | 0.606 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | -13.9 | -179.6 | -49.5 | -71.2 | 0 | 0 | 0 | 117 | Q449 S456 K480 | Q449-H451 PolarHBondContact O-N 3.04Å; H451-S456 PolarHBondContact N-OG 2.72Å; H451-K480 PolarHBondContact O-NZ 3.1Å |
| 452 | K | 76.2 | Confident | 81.4 | Confident | 132 Ų | 132 | 39.5 Ų | 39.5 | 57% | 0.574 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -121.9 | -23.2 | -178.3 | -68 | -176.9 | -179.8 | 177.3 | 0 | 114.6 | Q449 Q450 | Q449-K452 HydrophobicContact CG-CB 4.18Å; Q449-K452 PolarHBondContact O-N 3.15Å; Q450-K452 PolarHBondContact O-N 2.97Å |
| 453 | G | 82.4 | Confident | 80.4 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -77.2 | 160.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L446 Q449 F455 S456 V457 | L446-G453 VanDerWaalsContact O-CA 3.24Å; L446-G453 WeakPolarHBondContact O-CA 3.5Å; Q449-G453 WeakPolarHBondContact O-CA 3.22Å; Q449-G453 PolarHBondContact O-N 2.86Å; G453-F455 VanDerWaalsContact C-N 3.28Å; G453-F455 PolarHBondContact O-N 3.47Å; G453-S456 PolarHBondContact O-N 3.29Å; G453-V457 WeakPolarHBondContact O-CG2 3.41Å; G453-V457 PolarHBondContact O-N 2.68Å |
| 454 | I | 85.6 | Confident | 79.4 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -54.3 | -42 | -176.7 | -62.1 | 173.6 | 0 | 0 | 0 | 111.9 | F400 L446 V447 V457 L458 F473 L477 L481 I507 | F400-I454 HydrophobicContact CE1-CG2 3.96Å; F400-I454 HydrophobicContact CE2-CD1 3.96Å; F400-I454 HydrophobicContact CE2-CG2 4.44Å; F400-I454 HydrophobicContact CZ-CB 3.96Å; F400-I454 HydrophobicContact CZ-CD1 3.86Å; F400-I454 HydrophobicContact CZ-CG2 3.62Å; L446-I454 HydrophobicContact CG-CD1 4.38Å; L446-I454 PolarHBondContact O-N 2.83Å; L446-I454 VanDerWaalsContact O-N 3.13Å; V447-I454 HydrophobicContact CG2-CD1 4.39Å; V447-I454 PolarHBondContact O-N 3Å; I454-V457 PolarHBondContact O-N 2.78Å; I454-L458 WeakPolarHBondContact O-CB 3.36Å; I454-L458 PolarHBondContact O-N 2.79Å; I454-F473 HydrophobicContact CG2-CZ 4.29Å; I454-L477 HydrophobicContact CB-CD2 4.28Å; I454-L477 HydrophobicContact CG1-CD2 4.07Å; I454-L477 HydrophobicContact CG2-CD2 4.06Å; I454-L481 HydrophobicContact CD1-CD1 4.32Å; I454-L481 HydrophobicContact CG1-CD1 3.65Å; I454-I507 HydrophobicContact CD1-CD1 3.62Å |
| 455 | F | 85.3 | Confident | 77.8 | Confident | 3 Ų | 3 | 53.1 Ų | 53.1 | 1% | 0.013 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.6 | -40.3 | 177.7 | -71.7 | -37.5 | 0 | 0 | 0 | 112.7 | F397 F400 Y404 V447 G453 V457 L458 D459 A570 F573 K574 | F397-F455 HydrophobicContact CE2-CE1 4.34Å; F400-F455 HydrophobicContact CD1-CE1 4.06Å; F400-F455 HydrophobicContact CE1-CD1 4.04Å; F400-F455 AromaticContact CE1-CE1 3.5Å; F400-F455 HydrophobicContact CE1-CE1 3.5Å; F400-F455 VanDerWaalsContact CE1-CE1 3.5Å; F400-F455 AromaticContact CE1-CZ 4Å; F400-F455 HydrophobicContact CE1-CZ 4Å; Y404-F455 AromaticContact CD1-CE2 3.97Å; Y404-F455 HydrophobicContact CD1-CE2 3.97Å; Y404-F455 HydrophobicContact CD1-CZ 4.17Å; Y404-F455 HydrophobicContact CD2-CE2 4.49Å; Y404-F455 AromaticContact CE1-CE2 3.88Å; Y404-F455 HydrophobicContact CE1-CE2 3.88Å; Y404-F455 HydrophobicContact CE1-CZ 4.49Å; Y404-F455 HydrophobicContact CE2-CE2 4.42Å; Y404-F455 HydrophobicContact CG-CE2 4.26Å; Y404-F455 HydrophobicContact CG-CZ 4.4Å; V447-F455 HydrophobicContact CG1-CD2 3.59Å; V447-F455 HydrophobicContact CG1-CE1 4.38Å; V447-F455 HydrophobicContact CG1-CE2 3.39Å; V447-F455 HydrophobicContact CG1-CG 4.17Å; V447-F455 HydrophobicContact CG1-CZ 3.82Å; V447-F455 PolarHBondContact O-N 2.94Å; G453-F455 VanDerWaalsContact C-N 3.28Å; G453-F455 PolarHBondContact O-N 3.47Å; F455-V457 VanDerWaalsContact C-N 3.34Å; F455-V457 PolarHBondContact O-N 3.25Å; F455-L458 PolarHBondContact O-N 3.1Å; F455-D459 WeakPolarHBondContact O-CB 3.42Å; F455-D459 PolarHBondContact O-N 3.06Å; F455-A570 HydrophobicContact CB-CB 4.41Å; F455-A570 HydrophobicContact CD1-CB 3.53Å; F455-A570 HydrophobicContact CE1-CB 3.96Å; F455-A570 HydrophobicContact CG-CB 4.12Å; F455-F573 AromaticContact CZ-CD1 3.96Å; F455-F573 HydrophobicContact CZ-CD1 3.96Å; F455-F573 HydrophobicContact CZ-CE1 4.21Å; F455-K574 HydrophobicContact CD2-CB 4.44Å |
| 456 | S | 83.9 | Confident | 76.4 | Confident | 20 Ų | 20 | 52.5 Ų | 52.5 | 14% | 0.14 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65 | -38.5 | 176.1 | -65.4 | 0 | 0 | 0 | 0 | 112.1 | Q449 H451 G453 L458 D459 E460 | Q449-S456 PolarHBondContact O-OG 3.47Å; H451-S456 PolarHBondContact N-OG 2.72Å; G453-S456 PolarHBondContact O-N 3.29Å; S456-L458 VanDerWaalsContact C-N 3.34Å; S456-D459 PolarHBondContact O-N 3.46Å; S456-E460 WeakPolarHBondContact O-CB 2.92Å; S456-E460 VanDerWaalsContact O-CG 3.29Å; S456-E460 WeakPolarHBondContact O-CG 3.47Å; S456-E460 PolarHBondContact O-N 2.99Å |
| 457 | V | 83.7 | Confident | 75 | Confident | 7 Ų | 7 | 62.7 Ų | 62.7 | 4% | 0.042 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.7 | -38.5 | 175.6 | -176.8 | 0 | 0 | 0 | 0 | 111.4 | G453 I454 F455 A461 F473 L477 K480 | G453-V457 WeakPolarHBondContact O-CG2 3.41Å; G453-V457 PolarHBondContact O-N 2.68Å; I454-V457 PolarHBondContact O-N 2.78Å; F455-V457 VanDerWaalsContact C-N 3.34Å; F455-V457 PolarHBondContact O-N 3.25Å; V457-A461 WeakPolarHBondContact O-CB 3.3Å; V457-A461 PolarHBondContact O-N 3.36Å; V457-F473 HydrophobicContact CB-CE2 4.24Å; V457-F473 HydrophobicContact CG1-CD2 3.99Å; V457-F473 HydrophobicContact CG1-CE2 4Å; V457-L477 HydrophobicContact CB-CD2 3.96Å; V457-L477 HydrophobicContact CG1-CD2 3.96Å; V457-L477 HydrophobicContact CG1-CG 4.37Å; V457-L477 HydrophobicContact CG2-CD2 4.31Å; V457-K480 HydrophobicContact CG2-CD 3.68Å |
| 458 | L | 81.4 | Confident | 73.8 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.9 | -41.1 | 176.9 | -172.7 | 65.9 | 0 | 0 | 0 | 111.2 | F397 I454 F455 S456 A461 C462 F473 F521 I522 N525 A570 | F397-L458 HydrophobicContact CD2-CD2 4.14Å; F397-L458 HydrophobicContact CE2-CD2 3.48Å; F397-L458 VanDerWaalsContact CE2-CD2 3.48Å; F397-L458 HydrophobicContact CZ-CD2 4.21Å; I454-L458 WeakPolarHBondContact O-CB 3.36Å; I454-L458 PolarHBondContact O-N 2.79Å; F455-L458 PolarHBondContact O-N 3.1Å; S456-L458 VanDerWaalsContact C-N 3.34Å; L458-A461 PolarHBondContact O-N 2.86Å; L458-C462 PolarHBondContact O-N 2.89Å; L458-C462 PolarHBondContact O-SG 2.91Å; L458-F473 HydrophobicContact CB-CD2 4.4Å; L458-F473 HydrophobicContact CB-CE2 3.66Å; L458-F473 HydrophobicContact CB-CZ 4.02Å; L458-F473 HydrophobicContact CD1-CD1 4.14Å; L458-F473 HydrophobicContact CD1-CD2 4Å; L458-F473 HydrophobicContact CD1-CE1 3.88Å; L458-F473 HydrophobicContact CD1-CE2 3.73Å; L458-F473 HydrophobicContact CD1-CG 4.21Å; L458-F473 HydrophobicContact CD1-CZ 3.66Å; L458-F473 HydrophobicContact CG-CE2 4.3Å; L458-F473 HydrophobicContact CG-CZ 4.36Å; L458-F521 HydrophobicContact CD1-CB 4.18Å; L458-F521 HydrophobicContact CD1-CD1 4.4Å; L458-I522 HydrophobicContact CD1-CG1 4.43Å; L458-N525 HydrophobicContact CD1-CB 4.45Å; L458-N525 HydrophobicContact CD2-CB 3.82Å; L458-N525 HydrophobicContact CG-CB 4.03Å; L458-N525 WeakPolarHBondContact CG-ND2 3.48Å; L458-A570 HydrophobicContact CD2-CB 4.28Å |
| 459 | D | 77.7 | Confident | 73.2 | Confident | 25 Ų | 25 | 65.8 Ų | 65.8 | 13% | 0.134 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.2 | -42.8 | 177.3 | -68.4 | -16.9 | 0 | 0 | 0 | 111.7 | F455 S456 A461 C462 M463 N525 T568 T571 | F455-D459 WeakPolarHBondContact O-CB 3.42Å; F455-D459 PolarHBondContact O-N 3.06Å; S456-D459 PolarHBondContact O-N 3.46Å; D459-A461 VanDerWaalsContact C-N 3.35Å; D459-A461 PolarHBondContact O-N 2.96Å; D459-C462 PolarHBondContact O-N 3.02Å; D459-M463 WeakPolarHBondContact O-CB 3.37Å; D459-M463 WeakPolarHBondContact O-CG 3.31Å; D459-M463 PolarHBondContact O-N 3.17Å; D459-N525 PolarHBondContact OD1-ND2 3.01Å; D459-T568 HydrophobicContact CB-CG2 4.47Å; D459-T568 WeakPolarHBondContact OD1-CB 3.39Å; D459-T568 WeakPolarHBondContact OD1-CG2 3.48Å; D459-T568 PolarHBondContact OD1-OG1 2.95Å; D459-T568 PolarHBondContact OD2-OG1 3.25Å; D459-T571 PolarHBondContact OD2-OG1 3.35Å |
| 460 | E | 79 | Confident | 72.8 | Confident | 79 Ų | 79 | 63.2 Ų | 63.2 | 37% | 0.369 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.5 | -43.9 | 172.8 | -76.1 | 172.6 | -159.2 | 0 | 0 | 111.8 | S456 C462 M463 N464 K480 | S456-E460 WeakPolarHBondContact O-CB 2.92Å; S456-E460 VanDerWaalsContact O-CG 3.29Å; S456-E460 WeakPolarHBondContact O-CG 3.47Å; S456-E460 PolarHBondContact O-N 2.99Å; E460-C462 VanDerWaalsContact C-N 3.3Å; E460-C462 PolarHBondContact O-N 3.32Å; E460-M463 PolarHBondContact O-N 2.9Å; E460-M463 VanDerWaalsContact O-N 3.12Å; E460-N464 PolarHBondContact O-N 3.31Å; E460-K480 IonicContact OE1-NZ 3.83Å; E460-K480 PolarHBondContact OE1-NZ 3.41Å; E460-K480 IonicContact OE2-NZ 3.75Å; E460-K480 PolarHBondContact OE2-NZ 3.04Å |
| 461 | A | 76.3 | Confident | 73 | Confident | 11 Ų | 11 | 61.8 Ų | 61.8 | 9% | 0.091 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.4 | -35.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V457 L458 D459 M463 V468 F473 | V457-A461 WeakPolarHBondContact O-CB 3.3Å; V457-A461 PolarHBondContact O-N 3.36Å; L458-A461 PolarHBondContact O-N 2.86Å; D459-A461 VanDerWaalsContact C-N 3.35Å; D459-A461 PolarHBondContact O-N 2.96Å; A461-M463 VanDerWaalsContact C-N 3.32Å; A461-V468 HydrophobicContact CB-CG1 4.36Å; A461-F473 HydrophobicContact CB-CB 4.2Å; A461-F473 HydrophobicContact CB-CD2 4.17Å |
| 462 | C | 70.4 | Confident | 73.3 | Confident | 21 Ų | 21 | 58.9 Ų | 58.9 | 14% | 0.142 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -71.7 | -25.4 | 174.8 | -67.7 | 0 | 0 | 0 | 0 | 113.3 | L458 D459 E460 N525 K526 T568 | L458-C462 PolarHBondContact O-N 2.89Å; L458-C462 PolarHBondContact O-SG 2.91Å; D459-C462 PolarHBondContact O-N 3.02Å; E460-C462 VanDerWaalsContact C-N 3.3Å; E460-C462 PolarHBondContact O-N 3.32Å; C462-N525 PolarHBondContact SG-ND2 3.46Å; C462-K526 HydrophobicContact CB-CG 4.31Å; C462-T568 HydrophobicContact CB-CG2 4.48Å |
| 463 | M | 64.9 | Low | 73.5 | Confident | 108 Ų | 108 | 52.6 Ų | 52.6 | 53% | 0.532 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -85.7 | -19.8 | -175.3 | -71.7 | -75 | -86.8 | 0 | 0 | 113.9 | D459 E460 A461 | D459-M463 WeakPolarHBondContact O-CB 3.37Å; D459-M463 WeakPolarHBondContact O-CG 3.31Å; D459-M463 PolarHBondContact O-N 3.17Å; E460-M463 PolarHBondContact O-N 2.9Å; E460-M463 VanDerWaalsContact O-N 3.12Å; A461-M463 VanDerWaalsContact C-N 3.32Å |
| 464 | N | 65.6 | Low | 73.3 | Confident | 110 Ų | 110 | 52.6 Ų | 52.6 | 59% | 0.588 | 29% | 0.291 | S | S | * | . | trans | -69.3 | 129.6 | 177.7 | -84.1 | -16.7 | 0 | 0 | 0 | 112.3 | E460 G466 V468 | E460-N464 PolarHBondContact O-N 3.31Å; N464-G466 PolarHBondContact O-N 3.46Å; N464-V468 HydrophobicContact CB-CG2 3.86Å | ||
| 465 | V | 50.8 | Low | 73 | Confident | 140 Ų | 140 | 56.8 Ų | 56.8 | 85% | 0.848 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -83.7 | 29 | -171 | -160.5 | 0 | 0 | 0 | 0 | 113 | ||
| 466 | G | 56.2 | Low | 72.7 | Confident | 54 Ų | 54 | 57.8 Ų | 57.8 | 56% | 0.557 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -115.5 | -179.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | N464 V468 | N464-G466 PolarHBondContact O-N 3.46Å; G466-V468 PolarHBondContact O-N 3.01Å |
| 467 | K | 56.9 | Low | 72.5 | Confident | 215 Ų | 215 | 56.9 Ų | 56.9 | 94% | 0.935 | 32% | 0.315 | S | S | * | . | trans | -68.9 | 79.7 | 165.2 | -78.4 | -173.1 | 177.9 | -178.5 | 0 | 109 | T469 | K467-T469 PolarHBondContact O-N 2.9Š| ||
| 468 | V | 60.7 | Low | 72.3 | Confident | 30 Ų | 30 | 57.1 Ų | 57.1 | 18% | 0.182 | 32% | 0.316 | C | S | . | . | trans | -82.8 | 114.9 | 176.3 | -170.3 | 0 | 0 | 0 | 0 | 108.3 | A461 N464 G466 V472 I522 | A461-V468 HydrophobicContact CB-CG1 4.36Å; N464-V468 HydrophobicContact CB-CG2 3.86Å; G466-V468 PolarHBondContact O-N 3.01Å; V468-V472 HydrophobicContact CG1-CB 4.29Å; V468-V472 HydrophobicContact CG1-CG1 4.37Å; V468-I522 HydrophobicContact CB-CD1 4.47Å; V468-I522 HydrophobicContact CG1-CD1 3.68Å | ||
| 469 | T | 71.2 | Confident | 72.2 | Confident | 69 Ų | 69 | 62.9 Ų | 62.9 | 42% | 0.423 | 35% | 0.351 | S | S | . | . | trans | -94.3 | 157.5 | 172.7 | 56 | 0 | 0 | 0 | 0 | 110.4 | K467 E471 V472 F473 | K467-T469 PolarHBondContact O-N 2.9Å; T469-E471 PolarHBondContact O-N 3.46Å; T469-E471 VanDerWaalsContact O-N 3.13Å; T469-V472 WeakPolarHBondContact O-CB 3.36Å; T469-V472 PolarHBondContact O-N 3.14Å; T469-F473 PolarHBondContact O-N 3.14Å | ||
| 470 | D | 76.3 | Confident | 72.1 | Confident | 35 Ų | 35 | 66 Ų | 66 | 19% | 0.187 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -55.1 | -29.3 | 176.5 | -70.7 | -37.9 | 0 | 0 | 0 | 112.6 | V472 F473 L474 V518 G520 I522 | D470-V472 PolarHBondContact O-N 3.44Å; D470-F473 WeakPolarHBondContact O-CB 3.06Å; D470-F473 PolarHBondContact O-N 3.48Å; D470-L474 PolarHBondContact O-N 3.34Å; D470-V518 HydrophobicContact CB-CG1 4.09Å; D470-V518 WeakPolarHBondContact O-CG1 3.35Å; D470-G520 PolarHBondContact OD2-N 3.08Å; D470-I522 PolarHBondContact OD1-N 2.83Å |
| 471 | E | 76.9 | Confident | 71.9 | Confident | 107 Ų | 107 | 62.6 Ų | 62.6 | 50% | 0.5 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.2 | -38.8 | 175.1 | -62.9 | 173.2 | -177.4 | 0 | 0 | 112.7 | T469 F473 L474 Q475 | T469-E471 PolarHBondContact O-N 3.46Å; T469-E471 VanDerWaalsContact O-N 3.13Å; E471-F473 VanDerWaalsContact C-N 3.3Å; E471-F473 PolarHBondContact O-N 3.07Å; E471-L474 PolarHBondContact O-N 3.28Å; E471-Q475 WeakPolarHBondContact O-CG 3.26Å; E471-Q475 PolarHBondContact O-N 3.18Å |
| 472 | V | 77.6 | Confident | 71.6 | Confident | 69 Ų | 69 | 65.8 Ų | 65.8 | 42% | 0.418 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.6 | -36.5 | 177.9 | 176.8 | 0 | 0 | 0 | 0 | 110.3 | V468 T469 D470 Q475 G476 | V468-V472 HydrophobicContact CG1-CB 4.29Å; V468-V472 HydrophobicContact CG1-CG1 4.37Å; T469-V472 WeakPolarHBondContact O-CB 3.36Å; T469-V472 PolarHBondContact O-N 3.14Å; D470-V472 PolarHBondContact O-N 3.44Å; V472-Q475 PolarHBondContact O-N 2.74Å; V472-G476 PolarHBondContact O-N 3.19Å |
| 473 | F | 80.3 | Confident | 71.5 | Confident | 1 Ų | 1 | 74.5 Ų | 74.5 | 0% | 0.004 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.9 | -44.6 | 173.2 | 166.5 | -114.8 | 0 | 0 | 0 | 111.4 | I454 V457 L458 A461 T469 D470 E471 Q475 G476 L477 V518 F521 I522 | I454-F473 HydrophobicContact CG2-CZ 4.29Å; V457-F473 HydrophobicContact CB-CE2 4.24Å; V457-F473 HydrophobicContact CG1-CD2 3.99Å; V457-F473 HydrophobicContact CG1-CE2 4Å; L458-F473 HydrophobicContact CB-CD2 4.4Å; L458-F473 HydrophobicContact CB-CE2 3.66Å; L458-F473 HydrophobicContact CB-CZ 4.02Å; L458-F473 HydrophobicContact CD1-CD1 4.14Å; L458-F473 HydrophobicContact CD1-CD2 4Å; L458-F473 HydrophobicContact CD1-CE1 3.88Å; L458-F473 HydrophobicContact CD1-CE2 3.73Å; L458-F473 HydrophobicContact CD1-CG 4.21Å; L458-F473 HydrophobicContact CD1-CZ 3.66Å; L458-F473 HydrophobicContact CG-CE2 4.3Å; L458-F473 HydrophobicContact CG-CZ 4.36Å; A461-F473 HydrophobicContact CB-CB 4.2Å; A461-F473 HydrophobicContact CB-CD2 4.17Å; T469-F473 PolarHBondContact O-N 3.14Å; D470-F473 WeakPolarHBondContact O-CB 3.06Å; D470-F473 PolarHBondContact O-N 3.48Å; E471-F473 VanDerWaalsContact C-N 3.3Å; E471-F473 PolarHBondContact O-N 3.07Å; F473-Q475 VanDerWaalsContact C-N 3.33Å; F473-Q475 PolarHBondContact O-N 3.14Å; F473-G476 PolarHBondContact O-N 2.8Å; F473-G476 VanDerWaalsContact O-N 3.16Å; F473-L477 HydrophobicContact CD1-CD1 4.37Å; F473-L477 HydrophobicContact CD2-CG 4.3Å; F473-L477 HydrophobicContact CE1-CD1 3.71Å; F473-L477 HydrophobicContact CE1-CG 4.39Å; F473-L477 HydrophobicContact CE2-CD1 3.98Å; F473-L477 HydrophobicContact CE2-CD2 3.88Å; F473-L477 HydrophobicContact CE2-CG 3.81Å; F473-L477 HydrophobicContact CZ-CD1 3.49Å; F473-L477 VanDerWaalsContact CZ-CD1 3.49Å; F473-L477 HydrophobicContact CZ-CD2 4.06Å; F473-L477 HydrophobicContact CZ-CG 3.87Å; F473-L477 WeakPolarHBondContact O-CG 3.44Å; F473-L477 PolarHBondContact O-N 3.19Å; F473-V518 HydrophobicContact CD1-CG1 3.39Å; F473-V518 HydrophobicContact CE1-CG1 3.86Å; F473-F521 HydrophobicContact CD1-CB 4.41Å; F473-F521 HydrophobicContact CE1-CB 4.25Å; F473-F521 AromaticContact CE1-CD1 3.77Å; F473-F521 HydrophobicContact CE1-CD1 3.77Å; F473-F521 HydrophobicContact CE1-CG 4.29Å; F473-F521 HydrophobicContact CZ-CD1 4.32Å; F473-I522 HydrophobicContact CB-CD1 4.01Å; F473-I522 HydrophobicContact CB-CG1 4.33Å |
| 474 | L | 79.6 | Confident | 72 | Confident | 1 Ų | 1 | 72.2 Ų | 72.2 | 1% | 0.005 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62 | -39.2 | 175.8 | -174.5 | 58.2 | 0 | 0 | 0 | 112.5 | D470 E471 L477 N478 D502 F505 V518 | D470-L474 PolarHBondContact O-N 3.34Å; E471-L474 PolarHBondContact O-N 3.28Å; L474-L477 PolarHBondContact O-N 3.21Å; L474-N478 VanDerWaalsContact O-CG 3.25Å; L474-N478 PolarHBondContact O-N 2.93Å; L474-N478 PolarHBondContact O-ND2 3.2Å; L474-N478 VanDerWaalsContact O-ND2 3.11Å; L474-D502 WeakPolarHBondContact CD2-O 3.27Å; L474-F505 HydrophobicContact CD1-CB 4.06Å; L474-F505 HydrophobicContact CD1-CD1 4.39Å; L474-V518 HydrophobicContact CB-CG1 4.44Å; L474-V518 HydrophobicContact CB-CG2 4.21Å; L474-V518 HydrophobicContact CD1-CG2 3.82Å; L474-V518 HydrophobicContact CD2-CG2 4.22Å; L474-V518 HydrophobicContact CG-CG2 4.28Å |
| 475 | Q | 78.9 | Confident | 72.5 | Confident | 88 Ų | 88 | 70.5 Ų | 70.5 | 41% | 0.411 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 173.7 | -70.8 | 176.5 | 13.5 | 0 | 0 | 111.6 | E471 V472 F473 L477 N478 V479 | E471-Q475 WeakPolarHBondContact O-CG 3.26Å; E471-Q475 PolarHBondContact O-N 3.18Å; V472-Q475 PolarHBondContact O-N 2.74Å; F473-Q475 VanDerWaalsContact C-N 3.33Å; F473-Q475 PolarHBondContact O-N 3.14Å; Q475-L477 VanDerWaalsContact C-N 3.33Å; Q475-L477 PolarHBondContact O-N 2.98Å; Q475-N478 PolarHBondContact O-N 3.46Å; Q475-V479 WeakPolarHBondContact O-CG2 3.41Å; Q475-V479 PolarHBondContact O-N 3.35Å |
| 476 | G | 78.1 | Confident | 73.9 | Confident | 24 Ų | 24 | 65 Ų | 65 | 25% | 0.247 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.5 | -41 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | V472 F473 K480 | V472-G476 PolarHBondContact O-N 3.19Å; F473-G476 PolarHBondContact O-N 2.8Å; F473-G476 VanDerWaalsContact O-N 3.16Å; G476-K480 PolarHBondContact O-N 2.85Å; G476-K480 VanDerWaalsContact O-N 3.16Å |
| 477 | L | 79.5 | Confident | 75.1 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.1 | -48.3 | 173.3 | -70.2 | 179.4 | 0 | 0 | 0 | 111.8 | I454 V457 F473 L474 Q475 V479 K480 L481 F487 F505 | I454-L477 HydrophobicContact CB-CD2 4.28Å; I454-L477 HydrophobicContact CG1-CD2 4.07Å; I454-L477 HydrophobicContact CG2-CD2 4.06Å; V457-L477 HydrophobicContact CB-CD2 3.96Å; V457-L477 HydrophobicContact CG1-CD2 3.96Å; V457-L477 HydrophobicContact CG1-CG 4.37Å; V457-L477 HydrophobicContact CG2-CD2 4.31Å; F473-L477 HydrophobicContact CD1-CD1 4.37Å; F473-L477 HydrophobicContact CD2-CG 4.3Å; F473-L477 HydrophobicContact CE1-CD1 3.71Å; F473-L477 HydrophobicContact CE1-CG 4.39Å; F473-L477 HydrophobicContact CE2-CD1 3.98Å; F473-L477 HydrophobicContact CE2-CD2 3.88Å; F473-L477 HydrophobicContact CE2-CG 3.81Å; F473-L477 HydrophobicContact CZ-CD1 3.49Å; F473-L477 VanDerWaalsContact CZ-CD1 3.49Å; F473-L477 HydrophobicContact CZ-CD2 4.06Å; F473-L477 HydrophobicContact CZ-CG 3.87Å; F473-L477 WeakPolarHBondContact O-CG 3.44Å; F473-L477 PolarHBondContact O-N 3.19Å; L474-L477 PolarHBondContact O-N 3.21Å; Q475-L477 VanDerWaalsContact C-N 3.33Å; Q475-L477 PolarHBondContact O-N 2.98Å; L477-V479 VanDerWaalsContact C-N 3.34Å; L477-V479 PolarHBondContact O-N 3.34Å; L477-K480 PolarHBondContact O-N 2.92Å; L477-L481 HydrophobicContact CD2-CD1 3.88Å; L477-L481 VanDerWaalsContact O-CB 3.26Å; L477-L481 WeakPolarHBondContact O-CB 3.4Å; L477-L481 PolarHBondContact O-N 3.32Å; L477-F487 HydrophobicContact CB-CZ 4.11Å; L477-F505 HydrophobicContact CD1-CD1 4.43Å |
| 478 | N | 79.4 | Confident | 76.1 | Confident | 13 Ų | 13 | 54.3 Ų | 54.3 | 7% | 0.07 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.9 | -46.6 | 179.5 | -70.3 | -36.4 | 0 | 0 | 0 | 110.9 | L474 Q475 K480 V482 S489 | L474-N478 VanDerWaalsContact O-CG 3.25Å; L474-N478 PolarHBondContact O-N 2.93Å; L474-N478 PolarHBondContact O-ND2 3.2Å; L474-N478 VanDerWaalsContact O-ND2 3.11Å; Q475-N478 PolarHBondContact O-N 3.46Å; N478-K480 PolarHBondContact O-N 3.37Å; N478-V482 WeakPolarHBondContact O-CB 3.27Å; N478-V482 WeakPolarHBondContact O-CG2 3.34Å; N478-V482 PolarHBondContact O-N 3.45Å; N478-V482 VanDerWaalsContact O-N 3.16Å; N478-S489 WeakPolarHBondContact OD1-CB 3.43Å; N478-S489 PolarHBondContact OD1-OG 3.44Å |
| 479 | V | 79.3 | Confident | 76.6 | Confident | 120 Ų | 120 | 53 Ų | 53 | 73% | 0.727 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -63.3 | -45 | -179.4 | 173.2 | 0 | 0 | 0 | 0 | 112.2 | Q475 L477 | Q475-V479 WeakPolarHBondContact O-CG2 3.41Å; Q475-V479 PolarHBondContact O-N 3.35Å; L477-V479 VanDerWaalsContact C-N 3.34Å; L477-V479 PolarHBondContact O-N 3.34Å |
| 480 | K | 76.6 | Confident | 76.3 | Confident | 91 Ų | 91 | 53.3 Ų | 53.3 | 40% | 0.396 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -79.9 | -30.1 | -175.7 | -69.2 | -171.4 | -174.2 | -176.6 | 0 | 113.6 | H451 V457 E460 G476 L477 N478 | H451-K480 PolarHBondContact O-NZ 3.1Å; V457-K480 HydrophobicContact CG2-CD 3.68Å; E460-K480 IonicContact OE1-NZ 3.83Å; E460-K480 PolarHBondContact OE1-NZ 3.41Å; E460-K480 IonicContact OE2-NZ 3.75Å; E460-K480 PolarHBondContact OE2-NZ 3.04Å; G476-K480 PolarHBondContact O-N 2.85Å; G476-K480 VanDerWaalsContact O-N 3.16Å; L477-K480 PolarHBondContact O-N 2.92Å; N478-K480 PolarHBondContact O-N 3.37Å |
| 481 | L | 74.3 | Confident | 75.6 | Confident | 8 Ų | 8 | 56 Ų | 56 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -108.9 | 5.4 | -170.5 | -59 | 175.8 | 0 | 0 | 0 | 114.9 | L446 I454 L477 K483 H484 F487 | L446-L481 HydrophobicContact CD1-CD1 4.02Å; L446-L481 HydrophobicContact CD1-CD2 3.53Å; L446-L481 HydrophobicContact CD1-CG 4.27Å; I454-L481 HydrophobicContact CD1-CD1 4.32Å; I454-L481 HydrophobicContact CG1-CD1 3.65Å; L477-L481 HydrophobicContact CD2-CD1 3.88Å; L477-L481 VanDerWaalsContact O-CB 3.26Å; L477-L481 WeakPolarHBondContact O-CB 3.4Å; L477-L481 PolarHBondContact O-N 3.32Å; L481-K483 PolarHBondContact O-N 2.92Å; L481-H484 PolarHBondContact O-N 3.11Å; L481-H484 VanDerWaalsContact O-N 3.07Å; L481-F487 HydrophobicContact CB-CB 4.44Å; L481-F487 HydrophobicContact CB-CD1 3.75Å; L481-F487 HydrophobicContact CB-CE1 4.09Å; L481-F487 HydrophobicContact CB-CG 3.98Å; L481-F487 HydrophobicContact CD1-CD2 4.18Å; L481-F487 HydrophobicContact CD1-CE2 4.27Å; L481-F487 HydrophobicContact CD1-CG 4.44Å |
| 482 | V | 69.4 | Low | 74.8 | Confident | 78 Ų | 78 | 54 Ų | 54 | 47% | 0.473 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46 | -36.8 | 177.4 | 145.1 | 0 | 0 | 0 | 0 | 114.1 | N478 L492 | N478-V482 WeakPolarHBondContact O-CB 3.27Å; N478-V482 WeakPolarHBondContact O-CG2 3.34Å; N478-V482 PolarHBondContact O-N 3.45Å; N478-V482 VanDerWaalsContact O-N 3.16Å; V482-L492 HydrophobicContact CB-CD2 4.13Å; V482-L492 HydrophobicContact CG1-CD2 4.24Å; V482-L492 HydrophobicContact CG2-CD1 4.26Å; V482-L492 HydrophobicContact CG2-CD2 3.58Å; V482-L492 HydrophobicContact CG2-CG 4.22Å |
| 483 | K | 69.2 | Low | 73.8 | Confident | 204 Ų | 204 | 52 Ų | 52 | 89% | 0.887 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -5.8 | -173.6 | -64.6 | -173.1 | 179.9 | -177.7 | 0 | 114.4 | L481 | L481-K483 PolarHBondContact O-N 2.92Š|
| 484 | H | 75.3 | Confident | 72.6 | Confident | 59 Ų | 59 | 57.1 Ų | 57.1 | 27% | 0.273 | 31% | 0.307 | S | S | . | . | trans | -85.5 | 124.4 | -172.8 | -123 | -85.7 | 0 | 0 | 0 | 111.9 | L446 L481 H486 F487 | L446-H484 HydrophobicContact CD1-CB 4.09Å; L481-H484 PolarHBondContact O-N 3.11Å; L481-H484 VanDerWaalsContact O-N 3.07Å; H484-H486 PolarHBondContact O-N 3.24Å; H484-H486 VanDerWaalsContact O-N 3.08Å; H484-F487 HydrophobicContact CB-CB 4.21Å; H484-F487 PolarHBondContact O-N 3.48Å | ||
| 485 | A | 76 | Confident | 71.4 | Confident | 75 Ų | 75 | 63.3 Ų | 63.3 | 62% | 0.62 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -16.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 486 | H | 79.4 | Confident | 70.3 | Confident | 25 Ų | 25 | 61.2 Ų | 61.2 | 12% | 0.116 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -1.4 | -177.9 | -67.7 | -90.7 | 0 | 0 | 0 | 113.7 | F438 I443 L446 H484 I507 R508 | F438-H486 AromaticContact CZ-CE1 3.97Å; I443-H486 HydrophobicContact CG1-CB 4.49Å; L446-H486 HydrophobicContact CD2-CB 4.34Å; H484-H486 PolarHBondContact O-N 3.24Å; H484-H486 VanDerWaalsContact O-N 3.08Å; H486-I507 WeakPolarHBondContact O-CA 3.23Å; H486-R508 HydrophobicContact CB-CB 4.36Å; H486-R508 PolarHBondContact ND1-O 3.47Å; H486-R508 PolarHBondContact O-N 2.73Å |
| 487 | F | 82.6 | Confident | 69.3 | Low | 10 Ų | 10 | 69.2 Ų | 69.2 | 4% | 0.044 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 133.3 | 177.2 | -179.9 | -99.7 | 0 | 0 | 0 | 109.5 | L446 L477 L481 H484 L492 F505 | L446-F487 HydrophobicContact CD2-CB 4.36Å; L477-F487 HydrophobicContact CB-CZ 4.11Å; L481-F487 HydrophobicContact CB-CB 4.44Å; L481-F487 HydrophobicContact CB-CD1 3.75Å; L481-F487 HydrophobicContact CB-CE1 4.09Å; L481-F487 HydrophobicContact CB-CG 3.98Å; L481-F487 HydrophobicContact CD1-CD2 4.18Å; L481-F487 HydrophobicContact CD1-CE2 4.27Å; L481-F487 HydrophobicContact CD1-CG 4.44Å; H484-F487 HydrophobicContact CB-CB 4.21Å; H484-F487 PolarHBondContact O-N 3.48Å; F487-L492 HydrophobicContact CD1-CD1 3.98Å; F487-L492 HydrophobicContact CE1-CD1 3.91Å; F487-F505 HydrophobicContact CE2-CB 3.86Å; F487-F505 AromaticContact CE2-CD2 3.89Å; F487-F505 HydrophobicContact CE2-CD2 3.89Å; F487-F505 HydrophobicContact CE2-CG 4.13Å; F487-F505 HydrophobicContact CZ-CB 4.07Å |
| 488 | T | 77 | Confident | 68.3 | Low | 34 Ų | 34 | 73 Ų | 73 | 21% | 0.209 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 144.7 | 177.1 | -28.4 | 0 | 0 | 0 | 0 | 109.8 | S493 R506 | T488-S493 WeakPolarHBondContact CG2-OG 3.29Å; T488-R506 PolarHBondContact N-O 3.24Å; T488-R506 PolarHBondContact O-N 3.47Å |
| 489 | S | 71.9 | Confident | 67.3 | Low | 3 Ų | 3 | 72.4 Ų | 72.4 | 2% | 0.021 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 154.3 | -179.6 | 169.2 | 0 | 0 | 0 | 0 | 108.5 | N478 K491 L492 S493 | N478-S489 WeakPolarHBondContact OD1-CB 3.43Å; N478-S489 PolarHBondContact OD1-OG 3.44Å; S489-K491 PolarHBondContact O-N 3.2Å; S489-K491 VanDerWaalsContact O-N 3.14Å; S489-L492 WeakPolarHBondContact O-CA 3.34Å; S489-L492 WeakPolarHBondContact O-CB 3.3Å; S489-L492 PolarHBondContact O-N 2.93Å; S489-S493 PolarHBondContact O-N 2.95Å; S489-S493 PolarHBondContact O-OG 2.93Å |
| 490 | R | 65.3 | Low | 66.4 | Low | 74 Ų | 74 | 71 Ų | 71 | 28% | 0.279 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -27.2 | -177.2 | -167.7 | 162 | -172.3 | -175 | -4.5 | 113.4 | S493 L499 | R490-S493 CarbonylContact O-C 3.56Å; R490-L499 HydrophobicContact CB-CB 4.29Å; R490-L499 WeakPolarHBondContact CD-O 3.26Å; R490-L499 PolarHBondContact NE-O 3.18Å; R490-L499 PolarHBondContact NH1-O 3.12Å |
| 491 | K | 61.6 | Low | 65.4 | Low | 91 Ų | 91 | 72.8 Ų | 72.8 | 40% | 0.396 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -26.4 | 172.3 | -82.6 | 178.1 | 171 | 156.5 | 0 | 113.7 | S489 F501 D502 | S489-K491 PolarHBondContact O-N 3.2Å; S489-K491 VanDerWaalsContact O-N 3.14Å; K491-F501 HydrophobicContact CG-CZ 4.5Å; K491-D502 WeakPolarHBondContact CE-OD1 3.41Å; K491-D502 VanDerWaalsContact NZ-CG 3.26Å; K491-D502 IonicContact NZ-OD1 3.63Å; K491-D502 PolarHBondContact NZ-OD1 3.13Å; K491-D502 IonicContact NZ-OD2 3.93Å; K491-D502 PolarHBondContact NZ-OD2 3.14Å |
| 492 | L | 58.6 | Low | 64.8 | Low | 67 Ų | 67 | 74.4 Ų | 74.4 | 35% | 0.351 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -31.9 | -180 | -84.7 | 159.8 | 0 | 0 | 0 | 112.7 | V482 F487 S489 | V482-L492 HydrophobicContact CB-CD2 4.13Å; V482-L492 HydrophobicContact CG1-CD2 4.24Å; V482-L492 HydrophobicContact CG2-CD1 4.26Å; V482-L492 HydrophobicContact CG2-CD2 3.58Å; V482-L492 HydrophobicContact CG2-CG 4.22Å; F487-L492 HydrophobicContact CD1-CD1 3.98Å; F487-L492 HydrophobicContact CE1-CD1 3.91Å; S489-L492 WeakPolarHBondContact O-CA 3.34Å; S489-L492 WeakPolarHBondContact O-CB 3.3Å; S489-L492 PolarHBondContact O-N 2.93Å |
| 493 | S | 57.8 | Low | 64.8 | Low | 25 Ų | 25 | 74 Ų | 74 | 18% | 0.175 | 38% | 0.38 | C | S | . | . | trans | -128.9 | 85.9 | 178.7 | 55.3 | 0 | 0 | 0 | 0 | 111.2 | T488 S489 R490 T495 D496 | T488-S493 WeakPolarHBondContact CG2-OG 3.29Å; S489-S493 PolarHBondContact O-N 2.95Å; S489-S493 PolarHBondContact O-OG 2.93Å; R490-S493 CarbonylContact O-C 3.56Å; S493-T495 PolarHBondContact O-N 3.17Å; S493-T495 VanDerWaalsContact O-N 3.13Å; S493-D496 PolarHBondContact O-N 2.82Å | ||
| 494 | P | 55.8 | Low | 65.4 | Low | 109 Ų | 109 | 65.1 Ų | 65.1 | 71% | 0.708 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -15.5 | -175.5 | -20.9 | 32.4 | 0 | 0 | 0 | 115 | ||
| 495 | T | 52.4 | Low | 65.8 | Low | 131 Ų | 131 | 62.3 Ų | 62.3 | 80% | 0.804 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -15 | -175.8 | 41.9 | 0 | 0 | 0 | 0 | 114.3 | S493 K497 | S493-T495 PolarHBondContact O-N 3.17Å; S493-T495 VanDerWaalsContact O-N 3.13Å; T495-K497 PolarHBondContact O-N 3.23Å |
| 496 | D | 56.8 | Low | 66.3 | Low | 45 Ų | 45 | 60.8 Ų | 60.8 | 24% | 0.241 | 31% | 0.308 | C | S | . | . | trans | -90.8 | 105 | -177.7 | -161.6 | -13.3 | 0 | 0 | 0 | 111.4 | S493 S498 R506 | S493-D496 PolarHBondContact O-N 2.82Å; D496-S498 VanDerWaalsContact CG-OG 3.22Å; D496-S498 PolarHBondContact O-N 3.11Å; D496-S498 WeakPolarHBondContact OD1-CB 3.23Å; D496-S498 PolarHBondContact OD1-N 2.77Å; D496-S498 VanDerWaalsContact OD1-N 3.14Å; D496-S498 PolarHBondContact OD1-OG 2.83Å; D496-S498 PolarHBondContact OD2-OG 3.06Å; D496-R506 IonicContact OD2-CZ 2.97Å; D496-R506 IonicContact OD2-NH1 2.58Å; D496-R506 PolarHBondContact OD2-NH1 3.01Å; D496-R506 IonicContact OD2-NH2 3.4Å; D496-R506 PolarHBondContact OD2-NH2 3.43Å | ||
| 497 | K | 56.6 | Low | 66.6 | Low | 191 Ų | 191 | 59.6 Ų | 59.6 | 83% | 0.83 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -4.8 | 179.4 | -66.3 | -177.2 | -178.5 | 178.6 | 0 | 113.6 | T495 | T495-K497 PolarHBondContact O-N 3.23Š|
| 498 | S | 58 | Low | 66.7 | Low | 79 Ų | 79 | 64.4 Ų | 64.4 | 55% | 0.552 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -14.9 | -175.2 | 66 | 0 | 0 | 0 | 0 | 115.3 | D496 R506 | D496-S498 VanDerWaalsContact CG-OG 3.22Å; D496-S498 PolarHBondContact O-N 3.11Å; D496-S498 WeakPolarHBondContact OD1-CB 3.23Å; D496-S498 PolarHBondContact OD1-N 2.77Å; D496-S498 VanDerWaalsContact OD1-N 3.14Å; D496-S498 PolarHBondContact OD1-OG 2.83Å; D496-S498 PolarHBondContact OD2-OG 3.06Å; S498-R506 PolarHBondContact OG-NH2 2.76Å |
| 499 | L | 59.4 | Low | 67 | Low | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -101.6 | 147.1 | 179.5 | -68.4 | 162.5 | 0 | 0 | 0 | 109.9 | R490 D504 R506 A515 | R490-L499 HydrophobicContact CB-CB 4.29Å; R490-L499 WeakPolarHBondContact CD-O 3.26Å; R490-L499 PolarHBondContact NE-O 3.18Å; R490-L499 PolarHBondContact NH1-O 3.12Å; L499-D504 HydrophobicContact CD2-CB 4.06Å; L499-R506 HydrophobicContact CD1-CB 4.5Å; L499-R506 HydrophobicContact CD2-CB 4.44Å; L499-A515 HydrophobicContact CD2-CB 3.76Å |
| 500 | E | 60.2 | Low | 67.2 | Low | 90 Ų | 90 | 64.7 Ų | 64.7 | 42% | 0.421 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -84.7 | 150.9 | 172.5 | -73.4 | -177.3 | -145.7 | 0 | 0 | 112.8 | R503 D504 | E500-R503 HydrophobicContact CB-CB 4.05Å; E500-R503 IonicContact OE1-CZ 2.87Å; E500-R503 IonicContact OE1-NH1 3.88Å; E500-R503 PolarHBondContact OE1-NH1 2.75Å; E500-R503 VanDerWaalsContact OE1-NH1 3.08Å; E500-R503 IonicContact OE1-NH2 3.98Å; E500-R503 PolarHBondContact OE1-NH2 2.92Å; E500-R503 IonicContact OE2-CZ 2.92Å; E500-R503 IonicContact OE2-NE 2.97Å; E500-R503 PolarHBondContact OE2-NE 3.27Å; E500-R503 IonicContact OE2-NH1 3.86Å; E500-R503 PolarHBondContact OE2-NH1 2.73Å; E500-R503 IonicContact OE2-NH2 3.04Å; E500-D504 PolarHBondContact N-OD2 3.15Å |
| 501 | F | 55.2 | Low | 67.3 | Low | 128 Ų | 128 | 62 Ų | 62 | 56% | 0.561 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | 135.1 | -178.3 | -161.3 | -89.1 | 0 | 0 | 0 | 110.7 | K491 R503 | K491-F501 HydrophobicContact CG-CZ 4.5Å; F501-R503 PolarHBondContact O-N 3.34Å |
| 502 | D | 62.2 | Low | 68 | Low | 43 Ų | 43 | 59.1 Ų | 59.1 | 23% | 0.23 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 17.4 | -179.5 | -76.8 | -24.4 | 0 | 0 | 0 | 116.4 | L474 K491 | L474-D502 WeakPolarHBondContact CD2-O 3.27Å; K491-D502 WeakPolarHBondContact CE-OD1 3.41Å; K491-D502 VanDerWaalsContact NZ-CG 3.26Å; K491-D502 IonicContact NZ-OD1 3.63Å; K491-D502 PolarHBondContact NZ-OD1 3.13Å; K491-D502 IonicContact NZ-OD2 3.93Å; K491-D502 PolarHBondContact NZ-OD2 3.14Å |
| 503 | R | 70.1 | Confident | 69.1 | Low | 69 Ų | 69 | 59.7 Ų | 59.7 | 26% | 0.26 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.5 | -36.1 | -178.6 | -153 | -177.2 | 85.3 | -179.1 | 1.2 | 114.6 | E500 F501 V518 V519 | E500-R503 HydrophobicContact CB-CB 4.05Å; E500-R503 IonicContact OE1-CZ 2.87Å; E500-R503 IonicContact OE1-NH1 3.88Å; E500-R503 PolarHBondContact OE1-NH1 2.75Å; E500-R503 VanDerWaalsContact OE1-NH1 3.08Å; E500-R503 IonicContact OE1-NH2 3.98Å; E500-R503 PolarHBondContact OE1-NH2 2.92Å; E500-R503 IonicContact OE2-CZ 2.92Å; E500-R503 IonicContact OE2-NE 2.97Å; E500-R503 PolarHBondContact OE2-NE 3.27Å; E500-R503 IonicContact OE2-NH1 3.86Å; E500-R503 PolarHBondContact OE2-NH1 2.73Å; E500-R503 IonicContact OE2-NH2 3.04Å; F501-R503 PolarHBondContact O-N 3.34Å; R503-V518 WeakPolarHBondContact O-CB 3.45Å; R503-V518 VanDerWaalsContact O-CG2 3.26Å; R503-V518 WeakPolarHBondContact O-CG2 3.38Å; R503-V518 PolarHBondContact O-N 2.85Å; R503-V519 HydrophobicContact CG-CG2 3.69Å |
| 504 | D | 80.4 | Confident | 70.2 | Confident | 18 Ų | 18 | 58.5 Ų | 58.5 | 10% | 0.096 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 144 | -167.8 | -51.3 | -33.2 | 0 | 0 | 0 | 113.1 | L499 E500 Y516 S517 | L499-D504 HydrophobicContact CD2-CB 4.06Å; E500-D504 PolarHBondContact N-OD2 3.15Å; D504-Y516 CarbonylContact C-O 3.55Å; D504-Y516 VanDerWaalsContact CA-O 3.22Å; D504-Y516 WeakPolarHBondContact CA-O 3.4Å; D504-S517 WeakPolarHBondContact OD1-CA 3.37Å; D504-S517 WeakPolarHBondContact OD1-CB 3.34Å; D504-S517 PolarHBondContact OD1-OG 2.64Å |
| 505 | F | 85 | Confident | 71.7 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 155.5 | 167.4 | 67.8 | -85.8 | 0 | 0 | 0 | 110.6 | F400 L474 L477 F487 I507 A515 Y516 V518 F521 | F400-F505 HydrophobicContact CD2-CE2 4.48Å; F400-F505 HydrophobicContact CD2-CZ 4.46Å; L474-F505 HydrophobicContact CD1-CB 4.06Å; L474-F505 HydrophobicContact CD1-CD1 4.39Å; L477-F505 HydrophobicContact CD1-CD1 4.43Å; F487-F505 HydrophobicContact CE2-CB 3.86Å; F487-F505 AromaticContact CE2-CD2 3.89Å; F487-F505 HydrophobicContact CE2-CD2 3.89Å; F487-F505 HydrophobicContact CE2-CG 4.13Å; F487-F505 HydrophobicContact CZ-CB 4.07Å; F505-I507 HydrophobicContact CD2-CD1 4.25Å; F505-I507 HydrophobicContact CD2-CG1 4.03Å; F505-I507 HydrophobicContact CE2-CD1 3.74Å; F505-I507 HydrophobicContact CE2-CG1 4.01Å; F505-A515 CarbonylContact O-C 3.54Å; F505-A515 WeakPolarHBondContact O-CA 3.36Å; F505-Y516 HydrophobicContact CD2-CD2 4.13Å; F505-Y516 AromaticContact CE2-CD2 3.53Å; F505-Y516 HydrophobicContact CE2-CD2 3.53Å; F505-Y516 HydrophobicContact CE2-CE2 4.43Å; F505-Y516 AromaticContact CE2-CG 3.98Å; F505-Y516 HydrophobicContact CE2-CG 3.98Å; F505-Y516 VanDerWaalsContact CZ-CB 3.47Å; F505-Y516 AromaticContact CZ-CD2 3.97Å; F505-Y516 HydrophobicContact CZ-CD2 3.97Å; F505-Y516 AromaticContact CZ-CG 3.93Å; F505-Y516 HydrophobicContact CZ-CG 3.93Å; F505-Y516 PolarHBondContact N-O 2.85Å; F505-Y516 PolarHBondContact O-N 2.92Å; F505-V518 HydrophobicContact CD1-CG2 3.58Å; F505-V518 HydrophobicContact CE1-CG2 3.95Å; F505-F521 HydrophobicContact CE1-CE1 4.1Å; F505-F521 HydrophobicContact CE1-CZ 4.01Å; F505-F521 HydrophobicContact CZ-CE1 4.03Å; F505-F521 HydrophobicContact CZ-CZ 4.01Å |
| 506 | R | 85.8 | Confident | 73.3 | Confident | 42 Ų | 42 | 48.6 Ų | 48.6 | 16% | 0.158 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 136.9 | -178.8 | -178 | 178.9 | -75.7 | 166.9 | 9.8 | 110.8 | T488 D496 S498 L499 D513 V514 | T488-R506 PolarHBondContact N-O 3.24Å; T488-R506 PolarHBondContact O-N 3.47Å; D496-R506 IonicContact OD2-CZ 2.97Å; D496-R506 IonicContact OD2-NH1 2.58Å; D496-R506 PolarHBondContact OD2-NH1 3.01Å; D496-R506 IonicContact OD2-NH2 3.4Å; D496-R506 PolarHBondContact OD2-NH2 3.43Å; S498-R506 PolarHBondContact OG-NH2 2.76Å; L499-R506 HydrophobicContact CD1-CB 4.5Å; L499-R506 HydrophobicContact CD2-CB 4.44Å; R506-D513 HydrophobicContact CG-CB 4.19Å; R506-V514 VanDerWaalsContact CA-O 3.29Å; R506-V514 WeakPolarHBondContact CA-O 3.4Å |
| 507 | I | 86.4 | Confident | 74.6 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 132.6 | 171.7 | -61.1 | 177.2 | 0 | 0 | 0 | 109.2 | F400 I443 L446 I454 H486 F505 H509 V514 Y516 | F400-I507 HydrophobicContact CD2-CD1 4.09Å; F400-I507 HydrophobicContact CE2-CD1 3.5Å; F400-I507 VanDerWaalsContact CE2-CD1 3.5Å; I443-I507 HydrophobicContact CG2-CG2 4.32Å; L446-I507 HydrophobicContact CD2-CG2 4.48Å; I454-I507 HydrophobicContact CD1-CD1 3.62Å; H486-I507 WeakPolarHBondContact O-CA 3.23Å; F505-I507 HydrophobicContact CD2-CD1 4.25Å; F505-I507 HydrophobicContact CD2-CG1 4.03Å; F505-I507 HydrophobicContact CE2-CD1 3.74Å; F505-I507 HydrophobicContact CE2-CG1 4.01Å; I507-H509 PolarHBondContact O-CD2 2.77Å; I507-H509 PolarHBondContact O-N 3.22Å; I507-V514 PolarHBondContact N-O 3.15Å; I507-V514 PolarHBondContact O-N 2.84Å; I507-Y516 HydrophobicContact CB-CE2 4.17Å; I507-Y516 HydrophobicContact CD1-CD2 4.43Å; I507-Y516 HydrophobicContact CD1-CE2 4.13Å; I507-Y516 HydrophobicContact CG1-CD2 4.47Å; I507-Y516 HydrophobicContact CG1-CE2 4.27Å |
| 508 | R | 84.3 | Confident | 75.7 | Confident | 111 Ų | 111 | 38.2 Ų | 38.2 | 42% | 0.419 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 94.9 | 170.4 | -176.7 | 177.4 | -61.1 | 153 | 2.9 | 110 | I443 H486 D513 | I443-R508 WeakPolarHBondContact CD1-O 3.29Å; H486-R508 HydrophobicContact CB-CB 4.36Å; H486-R508 PolarHBondContact ND1-O 3.47Å; H486-R508 PolarHBondContact O-N 2.73Å; R508-D513 WeakPolarHBondContact CA-OD1 3.35Å; R508-D513 VanDerWaalsContact CB-OD1 3.23Å; R508-D513 WeakPolarHBondContact CB-OD1 3.33Å; R508-D513 WeakPolarHBondContact CG-OD1 3.38Å; R508-D513 IonicContact NE-OD1 3.2Å; R508-D513 PolarHBondContact NE-OD1 3.44Å |
| 509 | H | 82.4 | Confident | 76.7 | Confident | 5 Ų | 5 | 38.6 Ų | 38.6 | 2% | 0.023 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 169.6 | 173.4 | -69.7 | -83.4 | 0 | 0 | 0 | 111.5 | F389 E407 I507 A511 G512 Y516 | F389-H509 HydrophobicContact CE2-CB 3.89Å; F389-H509 AromaticContact CE2-CG 3.93Å; F389-H509 HydrophobicContact CZ-CB 3.55Å; F389-H509 AromaticContact CZ-CD2 3.94Å; F389-H509 AromaticContact CZ-CG 3.61Å; E407-H509 IonicContact OE2-CG 2.67Å; E407-H509 IonicContact OE2-ND1 3.75Å; E407-H509 PolarHBondContact OE2-ND1 2.95Å; I507-H509 PolarHBondContact O-CD2 2.77Å; I507-H509 PolarHBondContact O-N 3.22Å; H509-A511 PolarHBondContact O-N 3.25Å; H509-G512 WeakPolarHBondContact CB-O 3.19Å; H509-G512 PolarHBondContact N-O 2.98Å; H509-G512 PolarHBondContact O-N 2.91Å; H509-G512 VanDerWaalsContact O-N 3.14Å; H509-Y516 AromaticContact NE2-CE2 3.65Å; H509-Y516 AromaticContact NE2-CZ 3.68Å; H509-Y516 PolarHBondContact NE2-OH 3.21Å |
| 510 | Y | 75.9 | Confident | 77.4 | Confident | 39 Ų | 39 | 39.1 Ų | 39.1 | 15% | 0.153 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -27.5 | 172.7 | 79.3 | -79.1 | 0 | 0 | 0 | 113.4 | F389 E407 Q410 N440 Y617 | F389-Y510 HydrophobicContact CD2-CE1 4.06Å; F389-Y510 HydrophobicContact CE2-CE1 4.22Å; E407-Y510 VanDerWaalsContact OE1-CD1 3.3Å; E407-Y510 WeakPolarHBondContact OE1-CD1 3.46Å; E407-Y510 WeakPolarHBondContact OE2-CD1 3.46Å; Q410-Y510 HydrophobicContact CB-CE1 4.25Å; Q410-Y510 HydrophobicContact CB-CE2 4.5Å; Q410-Y510 HydrophobicContact CG-CD2 4.12Å; Q410-Y510 HydrophobicContact CG-CE1 4.42Å; Q410-Y510 HydrophobicContact CG-CE2 3.89Å; Q410-Y510 HydrophobicContact CG-CG 4.44Å; N440-Y510 WeakPolarHBondContact ND2-CB 3.26Å; Y510-Y617 WeakPolarHBondContact CE2-O 3.37Å; Y510-Y617 PolarHBondContact OH-O 2.79Å |
| 511 | A | 69.2 | Low | 78.2 | Confident | 18 Ų | 18 | 34.9 Ų | 34.9 | 15% | 0.149 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -9.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114 | F389 H509 Y617 | F389-A511 HydrophobicContact CD1-CB 3.76Å; F389-A511 HydrophobicContact CD2-CB 4.09Å; F389-A511 HydrophobicContact CE1-CB 3.66Å; F389-A511 HydrophobicContact CE2-CB 4Å; F389-A511 HydrophobicContact CG-CB 3.98Å; F389-A511 HydrophobicContact CZ-CB 3.8Å; H509-A511 PolarHBondContact O-N 3.25Å; A511-Y617 VanDerWaalsContact CB-CB 3.42Å |
| 512 | G | 75.4 | Confident | 79.2 | Confident | 29 Ų | 29 | 28.9 Ų | 28.9 | 30% | 0.299 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 129.4 | -177.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | H509 | H509-G512 WeakPolarHBondContact CB-O 3.19Å; H509-G512 PolarHBondContact N-O 2.98Å; H509-G512 PolarHBondContact O-N 2.91Å; H509-G512 VanDerWaalsContact O-N 3.14Å |
| 513 | D | 81 | Confident | 79.6 | Confident | 79 Ų | 79 | 31.1 Ų | 31.1 | 42% | 0.422 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 124.9 | -178.2 | -71.9 | -15.9 | 0 | 0 | 0 | 111.1 | R506 R508 | R506-D513 HydrophobicContact CG-CB 4.19Å; R508-D513 WeakPolarHBondContact CA-OD1 3.35Å; R508-D513 VanDerWaalsContact CB-OD1 3.23Å; R508-D513 WeakPolarHBondContact CB-OD1 3.33Å; R508-D513 WeakPolarHBondContact CG-OD1 3.38Å; R508-D513 IonicContact NE-OD1 3.2Å; R508-D513 PolarHBondContact NE-OD1 3.44Å |
| 514 | V | 82.4 | Confident | 79.8 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 126.5 | 178.5 | -174 | 0 | 0 | 0 | 0 | 110 | F389 I391 N395 R506 I507 Y516 | F389-V514 HydrophobicContact CE1-CG2 3.7Å; F389-V514 HydrophobicContact CZ-CG2 3.83Å; I391-V514 HydrophobicContact CD1-CG2 4.13Å; I391-V514 HydrophobicContact CG1-CG2 3.99Å; N395-V514 HydrophobicContact CB-CG1 4.36Å; R506-V514 VanDerWaalsContact CA-O 3.29Å; R506-V514 WeakPolarHBondContact CA-O 3.4Å; I507-V514 PolarHBondContact N-O 3.15Å; I507-V514 PolarHBondContact O-N 2.84Å; V514-Y516 HydrophobicContact CB-CE2 3.9Å; V514-Y516 HydrophobicContact CG1-CD1 4.37Å; V514-Y516 HydrophobicContact CG1-CD2 4.37Å; V514-Y516 HydrophobicContact CG1-CE1 3.78Å; V514-Y516 HydrophobicContact CG1-CE2 3.8Å; V514-Y516 VanDerWaalsContact CG1-CZ 3.48Å |
| 515 | A | 86.8 | Confident | 79.4 | Confident | 31 Ų | 31 | 30 Ų | 30 | 26% | 0.256 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 125.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | N395 L499 F505 | N395-A515 WeakPolarHBondContact CB-O 3.22Å; N395-A515 PolarHBondContact ND2-O 2.87Å; L499-A515 HydrophobicContact CD2-CB 3.76Å; F505-A515 CarbonylContact O-C 3.54Å; F505-A515 WeakPolarHBondContact O-CA 3.36Å |
| 516 | Y | 85.4 | Confident | 78.5 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 135.2 | 179.4 | -60.5 | -80.5 | 0 | 0 | 0 | 110.5 | N395 Q399 F400 N403 D504 F505 I507 H509 V514 | N395-Y516 HydrophobicContact CB-CD1 3.61Å; N395-Y516 HydrophobicContact CB-CE1 4.01Å; N395-Y516 HydrophobicContact CB-CG 4.43Å; N395-Y516 WeakPolarHBondContact O-CA 3.26Å; Q399-Y516 HydrophobicContact CB-CE1 4.1Å; F400-Y516 HydrophobicContact CB-CD1 3.9Å; F400-Y516 HydrophobicContact CB-CE1 3.77Å; F400-Y516 HydrophobicContact CD2-CD2 4.39Å; F400-Y516 HydrophobicContact CD2-CE1 4.33Å; F400-Y516 HydrophobicContact CD2-CE2 4.1Å; N403-Y516 WeakPolarHBondContact CB-OH 3.49Å; N403-Y516 PolarHBondContact ND2-OH 3.09Å; D504-Y516 CarbonylContact C-O 3.55Å; D504-Y516 VanDerWaalsContact CA-O 3.22Å; D504-Y516 WeakPolarHBondContact CA-O 3.4Å; F505-Y516 HydrophobicContact CD2-CD2 4.13Å; F505-Y516 AromaticContact CE2-CD2 3.53Å; F505-Y516 HydrophobicContact CE2-CD2 3.53Å; F505-Y516 HydrophobicContact CE2-CE2 4.43Å; F505-Y516 AromaticContact CE2-CG 3.98Å; F505-Y516 HydrophobicContact CE2-CG 3.98Å; F505-Y516 VanDerWaalsContact CZ-CB 3.47Å; F505-Y516 AromaticContact CZ-CD2 3.97Å; F505-Y516 HydrophobicContact CZ-CD2 3.97Å; F505-Y516 AromaticContact CZ-CG 3.93Å; F505-Y516 HydrophobicContact CZ-CG 3.93Å; F505-Y516 PolarHBondContact N-O 2.85Å; F505-Y516 PolarHBondContact O-N 2.92Å; I507-Y516 HydrophobicContact CB-CE2 4.17Å; I507-Y516 HydrophobicContact CD1-CD2 4.43Å; I507-Y516 HydrophobicContact CD1-CE2 4.13Å; I507-Y516 HydrophobicContact CG1-CD2 4.47Å; I507-Y516 HydrophobicContact CG1-CE2 4.27Å; H509-Y516 AromaticContact NE2-CE2 3.65Å; H509-Y516 AromaticContact NE2-CZ 3.68Å; H509-Y516 PolarHBondContact NE2-OH 3.21Å; V514-Y516 HydrophobicContact CB-CE2 3.9Å; V514-Y516 HydrophobicContact CG1-CD1 4.37Å; V514-Y516 HydrophobicContact CG1-CD2 4.37Å; V514-Y516 HydrophobicContact CG1-CE1 3.78Å; V514-Y516 HydrophobicContact CG1-CE2 3.8Å; V514-Y516 VanDerWaalsContact CG1-CZ 3.48Å |
| 517 | S | 83.9 | Confident | 77.4 | Confident | 17 Ų | 17 | 34.5 Ų | 34.5 | 12% | 0.119 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 127.1 | 174.7 | -168.7 | 0 | 0 | 0 | 0 | 110.6 | N395 D504 V519 F521 | N395-S517 PolarHBondContact O-N 2.98Å; D504-S517 WeakPolarHBondContact OD1-CA 3.37Å; D504-S517 WeakPolarHBondContact OD1-CB 3.34Å; D504-S517 PolarHBondContact OD1-OG 2.64Å; S517-V519 PolarHBondContact O-N 2.77Å; S517-F521 VanDerWaalsContact O-CD2 3.31Å; S517-F521 WeakPolarHBondContact O-CD2 3.38Å; S517-F521 WeakPolarHBondContact O-CE2 3.36Å |
| 518 | V | 80.5 | Confident | 76.2 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.012 | 20% | 0.204 | C | C | . | . | trans | -76.7 | -14.3 | -173.7 | -167.2 | 0 | 0 | 0 | 0 | 112.3 | D470 F473 L474 R503 F505 G520 F521 | D470-V518 HydrophobicContact CB-CG1 4.09Å; D470-V518 WeakPolarHBondContact O-CG1 3.35Å; F473-V518 HydrophobicContact CD1-CG1 3.39Å; F473-V518 HydrophobicContact CE1-CG1 3.86Å; L474-V518 HydrophobicContact CB-CG1 4.44Å; L474-V518 HydrophobicContact CB-CG2 4.21Å; L474-V518 HydrophobicContact CD1-CG2 3.82Å; L474-V518 HydrophobicContact CD2-CG2 4.22Å; L474-V518 HydrophobicContact CG-CG2 4.28Å; R503-V518 WeakPolarHBondContact O-CB 3.45Å; R503-V518 VanDerWaalsContact O-CG2 3.26Å; R503-V518 WeakPolarHBondContact O-CG2 3.38Å; R503-V518 PolarHBondContact O-N 2.85Å; F505-V518 HydrophobicContact CD1-CG2 3.58Å; F505-V518 HydrophobicContact CE1-CG2 3.95Å; V518-G520 PolarHBondContact O-N 3.17Å; V518-F521 HydrophobicContact CG1-CB 4.38Å; V518-F521 WeakPolarHBondContact O-CB 3.4Å; V518-F521 PolarHBondContact O-N 3.46Å | ||
| 519 | V | 79.5 | Confident | 75.4 | Confident | 87 Ų | 87 | 33.1 Ų | 33.1 | 53% | 0.527 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 121.1 | -178.3 | -176.7 | 0 | 0 | 0 | 0 | 110.8 | R503 S517 | R503-V519 HydrophobicContact CG-CG2 3.69Å; S517-V519 PolarHBondContact O-N 2.77Å |
| 520 | G | 74.1 | Confident | 74.8 | Confident | 13 Ų | 13 | 33.9 Ų | 33.9 | 13% | 0.134 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 12.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | D470 V518 K524 | D470-G520 PolarHBondContact OD2-N 3.08Å; V518-G520 PolarHBondContact O-N 3.17Å; G520-K524 WeakPolarHBondContact O-CB 3.33Å; G520-K524 WeakPolarHBondContact O-CD 3.36Å; G520-K524 WeakPolarHBondContact O-CG 3.45Å; G520-K524 PolarHBondContact O-N 2.79Å; G520-K524 VanDerWaalsContact O-N 3.1Å |
| 521 | F | 77 | Confident | 74.7 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.3 | -45.6 | 176.2 | -99.1 | -123 | 0 | 0 | 0 | 111.8 | F397 F400 L458 F473 F505 S517 V518 N525 | F397-F521 HydrophobicContact CB-CD1 4.31Å; F397-F521 HydrophobicContact CB-CD2 3.96Å; F397-F521 HydrophobicContact CB-CE1 4.25Å; F397-F521 HydrophobicContact CB-CE2 3.87Å; F397-F521 HydrophobicContact CB-CG 4.19Å; F397-F521 HydrophobicContact CB-CZ 4.03Å; F397-F521 AromaticContact CD2-CD1 3.74Å; F397-F521 HydrophobicContact CD2-CD1 3.74Å; F397-F521 AromaticContact CD2-CE1 3.75Å; F397-F521 HydrophobicContact CD2-CE1 3.75Å; F397-F521 HydrophobicContact CD2-CG 4.32Å; F397-F521 HydrophobicContact CD2-CZ 4.32Å; F397-F521 HydrophobicContact CG-CD1 4.48Å; F400-F521 HydrophobicContact CB-CZ 4.26Å; F400-F521 HydrophobicContact CD1-CE1 4.45Å; L458-F521 HydrophobicContact CD1-CB 4.18Å; L458-F521 HydrophobicContact CD1-CD1 4.4Å; F473-F521 HydrophobicContact CD1-CB 4.41Å; F473-F521 HydrophobicContact CE1-CB 4.25Å; F473-F521 AromaticContact CE1-CD1 3.77Å; F473-F521 HydrophobicContact CE1-CD1 3.77Å; F473-F521 HydrophobicContact CE1-CG 4.29Å; F473-F521 HydrophobicContact CZ-CD1 4.32Å; F505-F521 HydrophobicContact CE1-CE1 4.1Å; F505-F521 HydrophobicContact CE1-CZ 4.01Å; F505-F521 HydrophobicContact CZ-CE1 4.03Å; F505-F521 HydrophobicContact CZ-CZ 4.01Å; S517-F521 VanDerWaalsContact O-CD2 3.31Å; S517-F521 WeakPolarHBondContact O-CD2 3.38Å; S517-F521 WeakPolarHBondContact O-CE2 3.36Å; V518-F521 HydrophobicContact CG1-CB 4.38Å; V518-F521 WeakPolarHBondContact O-CB 3.4Å; V518-F521 PolarHBondContact O-N 3.46Å; F521-N525 WeakPolarHBondContact O-CB 3.34Å; F521-N525 PolarHBondContact O-N 3.3Å |
| 522 | I | 75.9 | Confident | 74.9 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.9 | -43.5 | -178.3 | -65.2 | 177.8 | 0 | 0 | 0 | 110.5 | L458 V468 D470 F473 K524 N525 K526 | L458-I522 HydrophobicContact CD1-CG1 4.43Å; V468-I522 HydrophobicContact CB-CD1 4.47Å; V468-I522 HydrophobicContact CG1-CD1 3.68Å; D470-I522 PolarHBondContact OD1-N 2.83Å; F473-I522 HydrophobicContact CB-CD1 4.01Å; F473-I522 HydrophobicContact CB-CG1 4.33Å; I522-K524 VanDerWaalsContact C-N 3.34Å; I522-K524 PolarHBondContact O-N 2.91Å; I522-N525 PolarHBondContact O-N 2.77Å; I522-K526 HydrophobicContact CG2-CD 4.07Å; I522-K526 VanDerWaalsContact CG2-CE 3.49Å; I522-K526 WeakPolarHBondContact O-CG 3.36Å; I522-K526 PolarHBondContact O-N 2.79Å |
| 523 | D | 71.1 | Confident | 75 | Confident | 91 Ų | 91 | 32.9 Ų | 32.9 | 49% | 0.487 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.8 | -41.5 | -179.2 | -65.1 | -25 | 0 | 0 | 0 | 111.4 | ||
| 524 | K | 73.1 | Confident | 74.8 | Confident | 64 Ų | 64 | 30.5 Ų | 30.5 | 28% | 0.278 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -65.5 | -38.3 | 175 | -71.7 | 173.5 | -174.5 | -167.2 | 0 | 112.3 | S396 F397 E398 G520 I522 | S396-K524 PolarHBondContact OG-NZ 3.36Å; F397-K524 HydrophobicContact CB-CB 4.49Å; F397-K524 HydrophobicContact CB-CD 3.9Å; F397-K524 HydrophobicContact CD1-CB 4.09Å; F397-K524 HydrophobicContact CG-CB 4.48Å; E398-K524 WeakPolarHBondContact OE1-CE 3.45Å; E398-K524 IonicContact OE1-NZ 2.7Å; E398-K524 PolarHBondContact OE1-NZ 3.45Å; E398-K524 IonicContact OE2-NZ 3.43Å; E398-K524 PolarHBondContact OE2-NZ 3.41Å; G520-K524 WeakPolarHBondContact O-CB 3.33Å; G520-K524 WeakPolarHBondContact O-CD 3.36Å; G520-K524 WeakPolarHBondContact O-CG 3.45Å; G520-K524 PolarHBondContact O-N 2.79Å; G520-K524 VanDerWaalsContact O-N 3.1Å; I522-K524 VanDerWaalsContact C-N 3.34Å; I522-K524 PolarHBondContact O-N 2.91Å |
| 525 | N | 73.1 | Confident | 74.5 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -73.3 | -27.4 | -178.6 | -166.3 | 44.7 | 0 | 0 | 0 | 113.8 | L458 D459 C462 F521 I522 A569 A570 | L458-N525 HydrophobicContact CD1-CB 4.45Å; L458-N525 HydrophobicContact CD2-CB 3.82Å; L458-N525 HydrophobicContact CG-CB 4.03Å; L458-N525 WeakPolarHBondContact CG-ND2 3.48Å; D459-N525 PolarHBondContact OD1-ND2 3.01Å; C462-N525 PolarHBondContact SG-ND2 3.46Å; F521-N525 WeakPolarHBondContact O-CB 3.34Å; F521-N525 PolarHBondContact O-N 3.3Å; I522-N525 PolarHBondContact O-N 2.77Å; N525-A569 PolarHBondContact O-N 3.45Å; N525-A569 VanDerWaalsContact O-N 3.12Å; N525-A569 PolarHBondContact OD1-N 3.43Å; N525-A570 WeakPolarHBondContact OD1-CB 3.41Å; N525-A570 PolarHBondContact OD1-N 2.86Å |
| 526 | K | 65.7 | Low | 74 | Confident | 77 Ų | 77 | 32 Ų | 32 | 34% | 0.335 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -69.7 | -32.4 | -178.4 | -80.6 | 174.2 | -179.3 | 168.2 | 0 | 112.9 | C462 I522 T528 | C462-K526 HydrophobicContact CB-CG 4.31Å; I522-K526 HydrophobicContact CG2-CD 4.07Å; I522-K526 VanDerWaalsContact CG2-CE 3.49Å; I522-K526 WeakPolarHBondContact O-CG 3.36Å; I522-K526 PolarHBondContact O-N 2.79Å; K526-T528 VanDerWaalsContact O-CG2 3.23Å; K526-T528 WeakPolarHBondContact O-CG2 3.19Å; K526-T528 PolarHBondContact O-N 2.91Å |
| 527 | D | 61.5 | Low | 73.5 | Confident | 58 Ų | 58 | 32.3 Ų | 32.3 | 31% | 0.31 | 17% | 0.168 | S | C | . | . | trans | 28.7 | 45.4 | 179.2 | -159.9 | 21.9 | 0 | 0 | 0 | 115 | Q190 L529 A569 | Q190-D527 PolarHBondContact NE2-OD2 3.23Å; Q190-D527 PolarHBondContact OE1-OD1 3.41Å; D527-L529 PolarHBondContact O-N 2.79Å; D527-A569 HydrophobicContact CB-CB 4.33Å | ||
| 528 | T | 61.6 | Low | 73.1 | Confident | 57 Ų | 57 | 34.1 Ų | 34.1 | 35% | 0.35 | 17% | 0.173 | S | C | . | . | trans | -89.3 | 100.2 | -171.9 | 40.6 | 0 | 0 | 0 | 0 | 110.7 | K526 | K526-T528 VanDerWaalsContact O-CG2 3.23Å; K526-T528 WeakPolarHBondContact O-CG2 3.19Å; K526-T528 PolarHBondContact O-N 2.91Å | ||
| 529 | L | 68 | Low | 72.6 | Confident | 26 Ų | 26 | 39.3 Ų | 39.3 | 14% | 0.136 | 20% | 0.201 | C | C | . | . | trans | -77.7 | 126.6 | 162.2 | -173 | 72.7 | 0 | 0 | 0 | 110.1 | A344 L345 A348 D527 F533 K534 W552 | A344-L529 HydrophobicContact CB-CD1 4.28Å; L345-L529 HydrophobicContact CB-CD1 4.36Å; L345-L529 HydrophobicContact CD1-CD1 4.38Å; A348-L529 HydrophobicContact CB-CD1 4.21Å; A348-L529 HydrophobicContact CB-CD2 3.86Å; A348-L529 HydrophobicContact CB-CG 4.49Å; D527-L529 PolarHBondContact O-N 2.79Å; L529-F533 HydrophobicContact CD1-CB 4.15Å; L529-F533 HydrophobicContact CD1-CD2 3.83Å; L529-F533 HydrophobicContact CD1-CG 4.33Å; L529-F533 HydrophobicContact CG-CB 4.3Å; L529-F533 HydrophobicContact CG-CD2 4.46Å; L529-K534 HydrophobicContact CD2-CD 4.46Å; L529-K534 HydrophobicContact CD2-CG 3.72Å; L529-K534 HydrophobicContact CG-CG 4.43Å; L529-W552 HydrophobicContact CD2-CE3 4.48Å; L529-W552 HydrophobicContact CD2-CH2 3.42Å; L529-W552 VanDerWaalsContact CD2-CH2 3.42Å; L529-W552 HydrophobicContact CD2-CZ3 3.33Å | ||
| 530 | F | 70.6 | Confident | 71.7 | Confident | 21 Ų | 21 | 35.6 Ų | 35.6 | 9% | 0.092 | 18% | 0.179 | C | C | . | . | trans | -61.2 | 141.7 | 175.6 | -55 | -43.1 | 0 | 0 | 0 | 111.6 | H333 D532 F533 | H333-F530 AromaticContact CE1-CD2 3.81Å; H333-F530 AromaticContact CE1-CE2 3.27Å; H333-F530 WeakPolarHBondContact CE1-CE2 3.43Å; H333-F530 AromaticContact CE1-CZ 3.64Å; H333-F530 AromaticContact NE2-CD2 3.64Å; H333-F530 AromaticContact NE2-CE2 3.48Å; H333-F530 WeakPolarHBondContact NE2-CE2 3.48Å; F530-D532 PolarHBondContact O-N 2.99Å; F530-F533 HydrophobicContact CB-CD2 3.9Å; F530-F533 HydrophobicContact CB-CE2 4.25Å; F530-F533 HydrophobicContact CD2-CD2 4.13Å; F530-F533 AromaticContact CD2-CE2 3.6Å; F530-F533 HydrophobicContact CD2-CE2 3.6Å; F530-F533 HydrophobicContact CE2-CE2 4.43Å; F530-F533 HydrophobicContact CG-CD2 4.45Å; F530-F533 HydrophobicContact CG-CE2 4.36Å; F530-F533 PolarHBondContact O-N 2.74Å | ||
| 531 | Q | 72.3 | Confident | 70.7 | Confident | 40 Ų | 40 | 39.6 Ų | 39.6 | 19% | 0.187 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.9 | -27.4 | -177.9 | -166.3 | 69.1 | 12.2 | 0 | 0 | 112 | F533 K534 R535 E554 | Q531-F533 VanDerWaalsContact C-N 3.34Å; Q531-F533 PolarHBondContact O-N 3.47Å; Q531-K534 WeakPolarHBondContact O-CB 3.5Å; Q531-K534 PolarHBondContact O-N 3.27Å; Q531-R535 PolarHBondContact O-N 2.97Å; Q531-E554 PolarHBondContact NE2-O 3.45Å |
| 532 | D | 74.4 | Confident | 69.2 | Low | 20 Ų | 20 | 44.6 Ų | 44.6 | 11% | 0.107 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.8 | -41.1 | 178.7 | -59 | -54.4 | 0 | 0 | 0 | 111.8 | T321 F530 K534 R535 L536 | T321-D532 WeakPolarHBondContact CB-OD1 3.35Å; T321-D532 PolarHBondContact N-OD2 2.96Å; T321-D532 PolarHBondContact OG1-OD1 2.97Å; F530-D532 PolarHBondContact O-N 2.99Å; D532-K534 PolarHBondContact O-N 2.88Å; D532-R535 PolarHBondContact O-N 3.3Å; D532-L536 WeakPolarHBondContact O-CB 3.43Å; D532-L536 PolarHBondContact O-N 3Å |
| 533 | F | 77.1 | Confident | 67.6 | Low | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.018 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.1 | -41.6 | 173.2 | -68.5 | -52.6 | 0 | 0 | 0 | 112.7 | A316 L317 L345 L529 F530 Q531 R535 L536 L537 | A316-F533 HydrophobicContact CB-CD1 3.94Å; A316-F533 HydrophobicContact CB-CE1 3.98Å; A316-F533 WeakPolarHBondContact O-CE1 3.44Å; A316-F533 WeakPolarHBondContact O-CZ 3.25Å; L317-F533 HydrophobicContact CD2-CE1 3.8Å; L317-F533 HydrophobicContact CD2-CZ 4.04Å; L317-F533 HydrophobicContact CG-CE1 4.28Å; L345-F533 HydrophobicContact CD1-CB 3.87Å; L345-F533 HydrophobicContact CD1-CD1 4.14Å; L345-F533 HydrophobicContact CD1-CG 4.02Å; L345-F533 HydrophobicContact CD2-CD1 3.78Å; L345-F533 HydrophobicContact CD2-CE1 3.96Å; L345-F533 HydrophobicContact CD2-CG 4.43Å; L345-F533 HydrophobicContact CG-CD1 4.39Å; L529-F533 HydrophobicContact CD1-CB 4.15Å; L529-F533 HydrophobicContact CD1-CD2 3.83Å; L529-F533 HydrophobicContact CD1-CG 4.33Å; L529-F533 HydrophobicContact CG-CB 4.3Å; L529-F533 HydrophobicContact CG-CD2 4.46Å; F530-F533 HydrophobicContact CB-CD2 3.9Å; F530-F533 HydrophobicContact CB-CE2 4.25Å; F530-F533 HydrophobicContact CD2-CD2 4.13Å; F530-F533 AromaticContact CD2-CE2 3.6Å; F530-F533 HydrophobicContact CD2-CE2 3.6Å; F530-F533 HydrophobicContact CE2-CE2 4.43Å; F530-F533 HydrophobicContact CG-CD2 4.45Å; F530-F533 HydrophobicContact CG-CE2 4.36Å; F530-F533 PolarHBondContact O-N 2.74Å; Q531-F533 VanDerWaalsContact C-N 3.34Å; Q531-F533 PolarHBondContact O-N 3.47Å; F533-R535 VanDerWaalsContact C-N 3.29Å; F533-R535 PolarHBondContact O-N 3.4Å; F533-L536 PolarHBondContact O-N 2.82Å; F533-L537 WeakPolarHBondContact O-CG 3.34Å; F533-L537 PolarHBondContact O-N 3.14Å; F533-L537 VanDerWaalsContact O-N 3.14Å |
| 534 | K | 76.6 | Confident | 66.5 | Low | 29 Ų | 29 | 48.2 Ų | 48.2 | 13% | 0.126 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.6 | -38.7 | 178.2 | -58.6 | -175.5 | -173.6 | 178.7 | 0 | 111.5 | L529 Q531 D532 Y538 W552 E554 | L529-K534 HydrophobicContact CD2-CD 4.46Å; L529-K534 HydrophobicContact CD2-CG 3.72Å; L529-K534 HydrophobicContact CG-CG 4.43Å; Q531-K534 WeakPolarHBondContact O-CB 3.5Å; Q531-K534 PolarHBondContact O-N 3.27Å; D532-K534 PolarHBondContact O-N 2.88Å; K534-Y538 WeakPolarHBondContact O-CB 3.02Å; K534-Y538 PolarHBondContact O-N 3.03Å; K534-W552 HydrophobicContact CB-CE3 4.25Å; K534-W552 HydrophobicContact CG-CE3 3.92Å; K534-W552 HydrophobicContact CG-CZ3 3.91Å; K534-E554 HydrophobicContact CD-CB 4.34Å; K534-E554 IonicContact NZ-OE2 2.91Å; K534-E554 PolarHBondContact NZ-OE2 3.42Å |
| 535 | R | 75.8 | Confident | 65.7 | Low | 44 Ų | 44 | 46.8 Ų | 46.8 | 17% | 0.166 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70.6 | -41.6 | 176.6 | -73.6 | -174 | -175.6 | 131.6 | 14.6 | 112.8 | Q531 D532 F533 L537 Y538 N539 | Q531-R535 PolarHBondContact O-N 2.97Å; D532-R535 PolarHBondContact O-N 3.3Å; F533-R535 VanDerWaalsContact C-N 3.29Å; F533-R535 PolarHBondContact O-N 3.4Å; R535-L537 VanDerWaalsContact C-N 3.27Å; R535-L537 PolarHBondContact O-N 2.89Å; R535-Y538 PolarHBondContact O-N 3.27Å; R535-N539 VanDerWaalsContact O-CB 3.31Å; R535-N539 WeakPolarHBondContact O-CB 3.33Å; R535-N539 PolarHBondContact O-N 3.1Å |
| 536 | L | 76.3 | Confident | 65.3 | Low | 20 Ų | 20 | 51.6 Ų | 51.6 | 11% | 0.105 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.6 | -45.7 | 177.4 | -179.6 | 139.7 | 0 | 0 | 0 | 111.1 | L306 T308 N312 V313 A316 D532 F533 S540 | L306-L536 HydrophobicContact CD1-CD2 4.38Å; T308-L536 HydrophobicContact CG2-CD2 4.23Å; T308-L536 HydrophobicContact CG2-CG 4.44Å; N312-L536 VanDerWaalsContact C-CD1 3.45Å; N312-L536 HydrophobicContact CB-CD1 4.14Å; N312-L536 WeakPolarHBondContact O-CD1 3.41Å; V313-L536 HydrophobicContact CB-CD1 4.36Å; V313-L536 HydrophobicContact CG2-CD1 3.99Å; A316-L536 HydrophobicContact CB-CD1 3.73Å; D532-L536 WeakPolarHBondContact O-CB 3.43Å; D532-L536 PolarHBondContact O-N 3Å; F533-L536 PolarHBondContact O-N 2.82Å; L536-S540 PolarHBondContact O-N 3.27Å |
| 537 | L | 76.2 | Confident | 65.5 | Low | 6 Ų | 6 | 48.1 Ų | 48.1 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -71.8 | -30.3 | -179.3 | -64.7 | 173.4 | 0 | 0 | 0 | 112.7 | L306 L345 M349 F533 R535 W552 | L306-L537 HydrophobicContact CD1-CD2 4.32Å; L306-L537 HydrophobicContact CD2-CD2 3.94Å; L345-L537 HydrophobicContact CD1-CD1 3.9Å; M349-L537 HydrophobicContact CG-CD1 4.12Å; M349-L537 HydrophobicContact SD-CD1 4.45Å; F533-L537 WeakPolarHBondContact O-CG 3.34Å; F533-L537 PolarHBondContact O-N 3.14Å; F533-L537 VanDerWaalsContact O-N 3.14Å; R535-L537 VanDerWaalsContact C-N 3.27Å; R535-L537 PolarHBondContact O-N 2.89Å; L537-W552 HydrophobicContact CB-CD2 4.44Å; L537-W552 HydrophobicContact CB-CG 4.05Å; L537-W552 HydrophobicContact CD1-CD2 4.12Å; L537-W552 HydrophobicContact CD1-CH2 4.3Å; L537-W552 HydrophobicContact CD1-CZ2 3.47Å; L537-W552 VanDerWaalsContact CD1-CZ2 3.47Å |
| 538 | Y | 74.4 | Confident | 66 | Low | 55 Ų | 55 | 46.6 Ų | 46.6 | 22% | 0.216 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -77.3 | -39.4 | 176.5 | -171.6 | -99.8 | 0 | 0 | 0 | 113.6 | K534 R535 K549 W552 K556 | K534-Y538 WeakPolarHBondContact O-CB 3.02Å; K534-Y538 PolarHBondContact O-N 3.03Å; R535-Y538 PolarHBondContact O-N 3.27Å; Y538-K549 HydrophobicContact CD2-CG 4.43Å; Y538-K549 HydrophobicContact CE2-CG 4.37Å; Y538-W552 WeakPolarHBondContact CD2-O 3.29Å; Y538-K556 HydrophobicContact CE1-CB 4.13Å |
| 539 | N | 69.6 | Low | 66.5 | Low | 112 Ų | 112 | 47.3 Ų | 47.3 | 60% | 0.599 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -90.6 | 3.2 | -173 | -69.9 | -26.7 | 0 | 0 | 0 | 114.6 | R535 | R535-N539 VanDerWaalsContact O-CB 3.31Å; R535-N539 WeakPolarHBondContact O-CB 3.33Å; R535-N539 PolarHBondContact O-N 3.1Å |
| 540 | S | 61.8 | Low | 66.6 | Low | 9 Ų | 9 | 48.4 Ų | 48.4 | 6% | 0.063 | 28% | 0.277 | C | S | . | . | trans | -56.7 | 132.6 | 178.6 | 179.6 | 0 | 0 | 0 | 0 | 111.7 | L306 S307 T308 L536 H542 S543 | L306-S540 PolarHBondContact O-OG 2.81Å; S307-S540 PolarHBondContact O-OG 2.9Å; S307-S540 VanDerWaalsContact O-OG 3.09Å; T308-S540 VanDerWaalsContact CG2-CB 3.47Å; T308-S540 VanDerWaalsContact CG2-OG 3.3Å; T308-S540 WeakPolarHBondContact CG2-OG 3.24Å; L536-S540 PolarHBondContact O-N 3.27Å; S540-H542 PolarHBondContact O-N 3.38Å; S540-H542 VanDerWaalsContact O-N 3.15Å; S540-S543 WeakPolarHBondContact O-CA 3.26Å; S540-S543 WeakPolarHBondContact O-CB 3.45Å; S540-S543 PolarHBondContact O-N 3.31Å | ||
| 541 | P | 52 | Low | 66.8 | Low | 96 Ų | 96 | 47.7 Ų | 47.7 | 62% | 0.623 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -12.7 | -174.6 | 22.1 | -30.5 | 0 | 0 | 0 | 115.1 | S307 S543 | S307-P541 VanDerWaalsContact O-CD 3.29Å; S307-P541 WeakPolarHBondContact O-CD 3.21Å; S307-P541 VanDerWaalsContact O-CG 3.31Å; S307-P541 WeakPolarHBondContact O-CG 3.44Å; P541-S543 PolarHBondContact O-N 3.06Å |
| 542 | H | 45.7 | Very low | 67 | Low | 105 Ų | 105 | 46 Ų | 46 | 49% | 0.486 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | 30.7 | 160.2 | -113.6 | 1.7 | 0 | 0 | 0 | 113.6 | S307 S540 S544 N545 | S307-H542 PolarHBondContact OG-CD2 3.21Å; S307-H542 VanDerWaalsContact OG-CD2 3.29Å; S540-H542 PolarHBondContact O-N 3.38Å; S540-H542 VanDerWaalsContact O-N 3.15Å; H542-S544 PolarHBondContact O-N 3.45Å; H542-N545 PolarHBondContact O-N 2.89Å |
| 543 | S | 43.7 | Very low | 66.9 | Low | 59 Ų | 59 | 48.6 Ų | 48.6 | 41% | 0.413 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | 2.1 | 168.6 | 112.7 | 0 | 0 | 0 | 0 | 114.8 | S540 P541 K549 | S540-S543 WeakPolarHBondContact O-CA 3.26Å; S540-S543 WeakPolarHBondContact O-CB 3.45Å; S540-S543 PolarHBondContact O-N 3.31Å; P541-S543 PolarHBondContact O-N 3.06Å; S543-K549 WeakPolarHBondContact O-CE 3.25Å; S543-K549 PolarHBondContact O-NZ 3.32Å; S543-K549 PolarHBondContact OG-NZ 2.8Å |
| 544 | S | 47.1 | Very low | 66.3 | Low | 110 Ų | 110 | 51.3 Ų | 51.3 | 77% | 0.769 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -2.9 | 167.1 | -156.3 | 0 | 0 | 0 | 0 | 113.9 | H542 P546 | H542-S544 PolarHBondContact O-N 3.45Å; S544-P546 WeakPolarHBondContact O-CD 3.37Å |
| 545 | N | 56.6 | Low | 65.6 | Low | 35 Ų | 35 | 50.2 Ų | 50.2 | 19% | 0.187 | 29% | 0.294 | C | S | . | . | trans | -96.3 | 105.3 | 175.4 | -137 | -12.1 | 0 | 0 | 0 | 109.4 | T268 H542 V547 | T268-N545 PolarHBondContact OG1-ND2 3.03Å; H542-N545 PolarHBondContact O-N 2.89Å; N545-V547 PolarHBondContact O-N 3.39Å; N545-V547 VanDerWaalsContact O-N 3.08Å | ||
| 546 | P | 65.3 | Low | 65 | Low | 101 Ų | 101 | 55.8 Ų | 55.8 | 66% | 0.656 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -60.8 | -24.6 | -170.4 | -23.4 | 34.5 | 0 | 0 | 0 | 113.9 | S544 G550 | S544-P546 WeakPolarHBondContact O-CD 3.37Å; P546-G550 PolarHBondContact O-N 2.88Å |
| 547 | V | 70.2 | Confident | 64.4 | Low | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.018 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.6 | -54.3 | -173.8 | -178.1 | 0 | 0 | 0 | 0 | 112.3 | E265 T268 W356 N545 K549 G550 M551 | E265-V547 HydrophobicContact CG-CG2 3.85Å; T268-V547 HydrophobicContact CG2-CB 4.13Å; T268-V547 HydrophobicContact CG2-CG1 4.16Å; W356-V547 HydrophobicContact CD2-CG1 3.81Å; W356-V547 HydrophobicContact CE3-CG1 4Å; W356-V547 HydrophobicContact CG-CG1 4.46Å; W356-V547 HydrophobicContact CH2-CG1 3.99Å; W356-V547 HydrophobicContact CH2-CG2 3.91Å; W356-V547 HydrophobicContact CZ2-CB 4.17Å; W356-V547 HydrophobicContact CZ2-CG1 3.78Å; W356-V547 HydrophobicContact CZ2-CG2 3.57Å; W356-V547 HydrophobicContact CZ3-CG1 4.09Å; N545-V547 PolarHBondContact O-N 3.39Å; N545-V547 VanDerWaalsContact O-N 3.08Å; V547-K549 PolarHBondContact O-N 2.81Å; V547-G550 PolarHBondContact O-N 3.37Å; V547-M551 HydrophobicContact CG1-SD 4.16Å; V547-M551 VanDerWaalsContact O-CG 3.31Å; V547-M551 WeakPolarHBondContact O-CG 3.48Å; V547-M551 PolarHBondContact O-N 3.36Å |
| 548 | L | 71.1 | Confident | 63.3 | Low | 27 Ų | 27 | 67.2 Ų | 67.2 | 14% | 0.141 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66 | -38.6 | -177.4 | -82.7 | 159.9 | 0 | 0 | 0 | 112.1 | I272 M551 W552 | I272-L548 HydrophobicContact CD1-CD2 4.12Å; I272-L548 HydrophobicContact CG1-CD2 4.34Å; L548-M551 PolarHBondContact O-N 2.94Å; L548-W552 PolarHBondContact O-N 3.19Å |
| 549 | K | 71.9 | Confident | 62.5 | Low | 71 Ų | 71 | 67.4 Ų | 67.4 | 31% | 0.309 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65 | -41.5 | 173.4 | -83 | -178 | 173.6 | 168.6 | 0 | 112.2 | Y538 S543 V547 M551 W552 | Y538-K549 HydrophobicContact CD2-CG 4.43Å; Y538-K549 HydrophobicContact CE2-CG 4.37Å; S543-K549 WeakPolarHBondContact O-CE 3.25Å; S543-K549 PolarHBondContact O-NZ 3.32Å; S543-K549 PolarHBondContact OG-NZ 2.8Å; V547-K549 PolarHBondContact O-N 2.81Å; K549-M551 VanDerWaalsContact C-N 3.28Å; K549-M551 PolarHBondContact O-N 3.42Å; K549-W552 PolarHBondContact O-N 3.34Å |
| 550 | G | 70.6 | Confident | 61.6 | Low | 50 Ų | 50 | 66 Ų | 66 | 52% | 0.515 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.8 | -29.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | P546 V547 | P546-G550 PolarHBondContact O-N 2.88Å; V547-G550 PolarHBondContact O-N 3.37Å |
| 551 | M | 74.8 | Confident | 61.3 | Low | 6 Ų | 6 | 71.7 Ų | 71.7 | 3% | 0.03 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -72.3 | -28.3 | 177 | -72.5 | 171.7 | 61.4 | 0 | 0 | 113.7 | I272 R352 L353 W356 V547 L548 K549 P553 | I272-M551 HydrophobicContact CD1-CE 4.24Å; I272-M551 HydrophobicContact CD1-SD 3.84Å; R352-M551 HydrophobicContact CB-CB 4.4Å; R352-M551 HydrophobicContact CB-CE 3.77Å; L353-M551 HydrophobicContact CB-CE 3.96Å; L353-M551 VanDerWaalsContact N-CE 3.32Å; W356-M551 HydrophobicContact CB-CG 3.89Å; W356-M551 HydrophobicContact CG-CG 4.08Å; V547-M551 HydrophobicContact CG1-SD 4.16Å; V547-M551 VanDerWaalsContact O-CG 3.31Å; V547-M551 WeakPolarHBondContact O-CG 3.48Å; V547-M551 PolarHBondContact O-N 3.36Å; L548-M551 PolarHBondContact O-N 2.94Å; K549-M551 VanDerWaalsContact C-N 3.28Å; K549-M551 PolarHBondContact O-N 3.42Å; M551-P553 VanDerWaalsContact C-CD 3.42Å; M551-P553 WeakPolarHBondContact O-CD 3.28Å |
| 552 | W | 76.6 | Confident | 61.2 | Low | 3 Ų | 3 | 69.8 Ų | 69.8 | 1% | 0.011 | 38% | 0.378 | C | S | . | . | trans | -125.6 | 56.2 | -171.5 | -59.7 | 101.4 | 0 | 0 | 0 | 114.3 | A348 M349 R352 L529 K534 L537 Y538 L548 K549 E554 G555 | A348-W552 HydrophobicContact CB-CH2 3.74Å; M349-W552 HydrophobicContact CG-CZ2 4.24Å; R352-W552 HydrophobicContact CG-CH2 4.13Å; R352-W552 HydrophobicContact CG-CZ2 4.23Å; R352-W552 HydrophobicContact CG-CZ3 4.39Å; L529-W552 HydrophobicContact CD2-CE3 4.48Å; L529-W552 HydrophobicContact CD2-CH2 3.42Å; L529-W552 VanDerWaalsContact CD2-CH2 3.42Å; L529-W552 HydrophobicContact CD2-CZ3 3.33Å; K534-W552 HydrophobicContact CB-CE3 4.25Å; K534-W552 HydrophobicContact CG-CE3 3.92Å; K534-W552 HydrophobicContact CG-CZ3 3.91Å; L537-W552 HydrophobicContact CB-CD2 4.44Å; L537-W552 HydrophobicContact CB-CG 4.05Å; L537-W552 HydrophobicContact CD1-CD2 4.12Å; L537-W552 HydrophobicContact CD1-CH2 4.3Å; L537-W552 HydrophobicContact CD1-CZ2 3.47Å; L537-W552 VanDerWaalsContact CD1-CZ2 3.47Å; Y538-W552 WeakPolarHBondContact CD2-O 3.29Å; L548-W552 PolarHBondContact O-N 3.19Å; K549-W552 PolarHBondContact O-N 3.34Å; W552-E554 PolarHBondContact O-N 3.12Å; W552-G555 PolarHBondContact O-N 3.2Å; W552-G555 VanDerWaalsContact O-N 3.13Å | ||
| 553 | P | 71.1 | Confident | 61.3 | Low | 76 Ų | 76 | 70.5 Ų | 70.5 | 49% | 0.494 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -63.4 | -27.9 | -179 | 27.2 | -34.7 | 0 | 0 | 0 | 112.9 | M551 G555 K556 | M551-P553 VanDerWaalsContact C-CD 3.42Å; M551-P553 WeakPolarHBondContact O-CD 3.28Å; P553-G555 PolarHBondContact O-N 3.02Å; P553-K556 WeakPolarHBondContact O-CB 3.38Å; P553-K556 PolarHBondContact O-N 2.78Å |
| 554 | E | 66.1 | Low | 61.7 | Low | 61 Ų | 61 | 77 Ų | 77 | 29% | 0.285 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -63.7 | -19.9 | 177.7 | -64 | 169.8 | -145.3 | 0 | 0 | 113.3 | R352 Q531 K534 W552 K556 L557 | R352-E554 IonicContact CZ-OE1 2.68Å; R352-E554 IonicContact NH1-OE1 2.78Å; R352-E554 IonicContact NH2-OE1 3.08Å; R352-E554 PolarHBondContact NH2-OE1 3.44Å; Q531-E554 PolarHBondContact NE2-O 3.45Å; K534-E554 HydrophobicContact CD-CB 4.34Å; K534-E554 IonicContact NZ-OE2 2.91Å; K534-E554 PolarHBondContact NZ-OE2 3.42Å; W552-E554 PolarHBondContact O-N 3.12Å; E554-K556 PolarHBondContact O-N 2.98Å; E554-L557 PolarHBondContact O-N 3.21Å |
| 555 | G | 61 | Low | 62.2 | Low | 6 Ų | 6 | 79.8 Ų | 79.8 | 6% | 0.062 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -65.9 | -16.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | W552 P553 | W552-G555 PolarHBondContact O-N 3.2Å; W552-G555 VanDerWaalsContact O-N 3.13Å; P553-G555 PolarHBondContact O-N 3.02Å |
| 556 | K | 63 | Low | 62.3 | Low | 160 Ų | 160 | 82.8 Ų | 82.8 | 70% | 0.696 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -76.5 | -23 | 179 | -170 | 179.6 | 177.8 | -176.5 | 0 | 113.8 | Y538 P553 E554 | Y538-K556 HydrophobicContact CE1-CB 4.13Å; P553-K556 WeakPolarHBondContact O-CB 3.38Å; P553-K556 PolarHBondContact O-N 2.78Å; E554-K556 PolarHBondContact O-N 2.98Å |
| 557 | L | 63.5 | Low | 62.2 | Low | 81 Ų | 81 | 83.3 Ų | 83.3 | 42% | 0.424 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -74.7 | 140.2 | -172.6 | -64.4 | 169.2 | 0 | 0 | 0 | 112.3 | E554 V562 | E554-L557 PolarHBondContact O-N 3.21Å; L557-V562 HydrophobicContact CB-CG2 3.68Å; L557-V562 HydrophobicContact CD1-CG2 4.33Å |
| 558 | R | 54.2 | Low | 62.2 | Low | 185 Ų | 185 | 84.1 Ų | 84.1 | 70% | 0.698 | 43% | 0.428 | S | S | * | . | trans | -67.2 | 145.1 | 179.1 | -75.2 | -176 | 172.4 | -171.1 | -1 | 111 | T560 E561 V562 | R558-T560 PolarHBondContact O-N 3.25Å; R558-E561 HydrophobicContact CB-CG 4.42Å; R558-E561 PolarHBondContact O-N 2.97Å; R558-V562 WeakPolarHBondContact O-CG2 3.49Å | ||
| 559 | I | 56.8 | Low | 62.2 | Low | 60 Ų | 60 | 83.1 Ų | 83.1 | 31% | 0.308 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.1 | -36.5 | -179.6 | -64.9 | 162.9 | 0 | 0 | 0 | 112.8 | A323 V328 | A323-I559 HydrophobicContact CB-CG2 3.46Å; A323-I559 VanDerWaalsContact CB-CG2 3.46Å; V328-I559 HydrophobicContact CG1-CD1 4.18Å; V328-I559 HydrophobicContact CG2-CD1 4.06Å; V328-I559 HydrophobicContact CG2-CG2 4.1Å |
| 560 | T | 51.6 | Low | 62.3 | Low | 83 Ų | 83 | 79.8 Ų | 79.8 | 51% | 0.509 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -17.8 | -174.1 | 52.6 | 0 | 0 | 0 | 0 | 115 | R558 | R558-T560 PolarHBondContact O-N 3.25Š|
| 561 | E | 54.6 | Low | 62.7 | Low | 128 Ų | 128 | 78.8 Ų | 78.8 | 60% | 0.598 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -13.1 | -177.9 | -72.3 | 171.2 | -179.7 | 0 | 0 | 112.8 | R558 T563 | R558-E561 HydrophobicContact CB-CG 4.42Å; R558-E561 PolarHBondContact O-N 2.97Å; E561-T563 PolarHBondContact O-N 2.89Å |
| 562 | V | 50.5 | Low | 62.8 | Low | 56 Ų | 56 | 82.7 Ų | 82.7 | 34% | 0.339 | 41% | 0.413 | S | S | . | . | trans | -97.1 | 43.4 | -172.6 | -165 | 0 | 0 | 0 | 0 | 111.4 | L557 R558 | L557-V562 HydrophobicContact CB-CG2 3.68Å; L557-V562 HydrophobicContact CD1-CG2 4.33Å; R558-V562 WeakPolarHBondContact O-CG2 3.49Å | ||
| 563 | T | 47.1 | Very low | 62.9 | Low | 120 Ų | 120 | 83 Ų | 83 | 74% | 0.736 | 41% | 0.414 | S | S | * | . | trans | -91.8 | -6.5 | 179.1 | 45 | 0 | 0 | 0 | 0 | 114 | E561 R565 | E561-T563 PolarHBondContact O-N 2.89Å; T563-R565 PolarHBondContact O-N 2.85Å; T563-R565 VanDerWaalsContact O-N 3.14Å | ||
| 564 | K | 53.2 | Low | 63.4 | Low | 195 Ų | 195 | 81 Ų | 81 | 85% | 0.848 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -71.7 | 107.3 | 163.4 | -81.5 | -172.3 | 177.4 | -179.4 | 0 | 108.4 | ||
| 565 | R | 55.8 | Low | 64.3 | Low | 169 Ų | 169 | 82 Ų | 82 | 64% | 0.638 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -53 | 135.3 | 172.3 | -68.3 | -179.8 | -178 | 177.8 | 0.2 | 108.7 | T563 | T563-R565 PolarHBondContact O-N 2.85Å; T563-R565 VanDerWaalsContact O-N 3.14Å |
| 566 | P | 59.1 | Low | 65.2 | Low | 97 Ų | 97 | 83.9 Ų | 83.9 | 63% | 0.63 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 147.2 | 179.4 | 24 | -32 | 0 | 0 | 0 | 110.3 | ||
| 567 | L | 63.9 | Low | 66.1 | Low | 112 Ų | 112 | 76.4 Ų | 76.4 | 59% | 0.586 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 143.1 | 172.4 | -65.8 | 169.5 | 0 | 0 | 0 | 109 | T571 I572 | L567-T571 HydrophobicContact CB-CG2 4.47Å; L567-T571 HydrophobicContact CD2-CG2 4.07Å; L567-I572 HydrophobicContact CB-CD1 4.25Å; L567-I572 HydrophobicContact CB-CG1 3.82Å |
| 568 | T | 70.1 | Confident | 67.1 | Low | 20 Ų | 20 | 74.9 Ų | 74.9 | 12% | 0.123 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 154.3 | 174.6 | 54.6 | 0 | 0 | 0 | 0 | 110.7 | D459 C462 A570 T571 I572 | D459-T568 HydrophobicContact CB-CG2 4.47Å; D459-T568 WeakPolarHBondContact OD1-CB 3.39Å; D459-T568 WeakPolarHBondContact OD1-CG2 3.48Å; D459-T568 PolarHBondContact OD1-OG1 2.95Å; D459-T568 PolarHBondContact OD2-OG1 3.25Å; C462-T568 HydrophobicContact CB-CG2 4.48Å; T568-A570 VanDerWaalsContact C-N 3.26Å; T568-A570 PolarHBondContact O-N 2.81Å; T568-T571 PolarHBondContact O-N 3.12Å; T568-T571 WeakPolarHBondContact OG1-CB 3.43Å; T568-T571 PolarHBondContact OG1-N 3.06Å; T568-T571 PolarHBondContact OG1-OG1 2.87Å; T568-I572 WeakPolarHBondContact O-CG1 3.32Å; T568-I572 PolarHBondContact O-N 3.1Å |
| 569 | A | 71.5 | Confident | 68.5 | Low | 7 Ų | 7 | 69.2 Ų | 69.2 | 6% | 0.058 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.5 | -39.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E187 N525 D527 T571 I572 F573 | E187-A569 WeakPolarHBondContact OE1-CB 3.31Å; N525-A569 PolarHBondContact O-N 3.45Å; N525-A569 VanDerWaalsContact O-N 3.12Å; N525-A569 PolarHBondContact OD1-N 3.43Å; D527-A569 HydrophobicContact CB-CB 4.33Å; A569-T571 PolarHBondContact O-N 3.21Å; A569-I572 PolarHBondContact O-N 3.4Å; A569-F573 VanDerWaalsContact O-CB 3.23Å; A569-F573 WeakPolarHBondContact O-CB 3.43Å; A569-F573 PolarHBondContact O-N 2.89Å |
| 570 | A | 74.1 | Confident | 69.8 | Low | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -56.5 | -43.3 | 172 | 0 | 0 | 0 | 0 | 0 | 113.4 | F397 F455 L458 N525 T568 F573 K574 | F397-A570 HydrophobicContact CZ-CB 4.15Å; F455-A570 HydrophobicContact CB-CB 4.41Å; F455-A570 HydrophobicContact CD1-CB 3.53Å; F455-A570 HydrophobicContact CE1-CB 3.96Å; F455-A570 HydrophobicContact CG-CB 4.12Å; L458-A570 HydrophobicContact CD2-CB 4.28Å; N525-A570 WeakPolarHBondContact OD1-CB 3.41Å; N525-A570 PolarHBondContact OD1-N 2.86Å; T568-A570 VanDerWaalsContact C-N 3.26Å; T568-A570 PolarHBondContact O-N 2.81Å; A570-F573 PolarHBondContact O-N 3.45Å; A570-K574 WeakPolarHBondContact O-CB 3.3Å; A570-K574 PolarHBondContact O-N 3.4Å |
| 571 | T | 77.8 | Confident | 71.4 | Confident | 30 Ų | 30 | 63.8 Ų | 63.8 | 18% | 0.184 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -70.7 | -42.1 | 179.1 | -76.1 | 0 | 0 | 0 | 0 | 111.9 | D459 L567 T568 A569 F573 K574 N575 | D459-T571 PolarHBondContact OD2-OG1 3.35Å; L567-T571 HydrophobicContact CB-CG2 4.47Å; L567-T571 HydrophobicContact CD2-CG2 4.07Å; T568-T571 PolarHBondContact O-N 3.12Å; T568-T571 WeakPolarHBondContact OG1-CB 3.43Å; T568-T571 PolarHBondContact OG1-N 3.06Å; T568-T571 PolarHBondContact OG1-OG1 2.87Å; A569-T571 PolarHBondContact O-N 3.21Å; T571-F573 PolarHBondContact O-N 3.25Å; T571-K574 PolarHBondContact O-N 3.23Å; T571-N575 WeakPolarHBondContact O-CB 3.05Å; T571-N575 VanDerWaalsContact O-CG 3.26Å; T571-N575 PolarHBondContact O-N 3.47Å; T571-N575 PolarHBondContact O-ND2 3.48Å |
| 572 | I | 77.7 | Confident | 72.9 | Confident | 88 Ų | 88 | 63.9 Ų | 63.9 | 45% | 0.451 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.7 | -43.7 | 174.5 | -65.5 | 169.2 | 0 | 0 | 0 | 109.9 | L567 T568 A569 N575 S576 | L567-I572 HydrophobicContact CB-CD1 4.25Å; L567-I572 HydrophobicContact CB-CG1 3.82Å; T568-I572 WeakPolarHBondContact O-CG1 3.32Å; T568-I572 PolarHBondContact O-N 3.1Å; A569-I572 PolarHBondContact O-N 3.4Å; I572-N575 PolarHBondContact O-N 3.03Å; I572-S576 WeakPolarHBondContact O-CB 3.46Å; I572-S576 PolarHBondContact O-N 2.93Å; I572-S576 PolarHBondContact O-OG 3.42Å |
| 573 | F | 78.1 | Confident | 74.5 | Confident | 8 Ų | 8 | 63.3 Ų | 63.3 | 4% | 0.035 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.8 | -48.2 | 179.1 | 176.9 | -120.7 | 0 | 0 | 0 | 112.2 | L185 C401 Y404 C405 F455 A569 A570 T571 N575 S576 M577 | L185-F573 HydrophobicContact CD1-CD2 4.12Å; L185-F573 HydrophobicContact CD1-CE2 3.35Å; L185-F573 HydrophobicContact CD1-CZ 4.19Å; L185-F573 HydrophobicContact CD2-CD2 3.9Å; L185-F573 HydrophobicContact CD2-CE2 3.31Å; L185-F573 HydrophobicContact CD2-CZ 3.63Å; L185-F573 HydrophobicContact CG-CD2 3.68Å; L185-F573 HydrophobicContact CG-CE2 3.25Å; L185-F573 HydrophobicContact CG-CZ 4.08Å; C401-F573 HydrophobicContact CB-CD1 3.81Å; C401-F573 HydrophobicContact CB-CE1 3.42Å; C401-F573 VanDerWaalsContact CB-CE1 3.42Å; C401-F573 HydrophobicContact CB-CZ 3.97Å; C401-F573 WeakPolarHBondContact O-CE1 3.43Å; C401-F573 WeakPolarHBondContact O-CZ 3.33Å; Y404-F573 HydrophobicContact CD1-CD1 4.47Å; Y404-F573 AromaticContact CD1-CE1 3.58Å; Y404-F573 HydrophobicContact CD1-CE1 3.58Å; Y404-F573 HydrophobicContact CD1-CZ 4.08Å; Y404-F573 HydrophobicContact CE1-CE1 4.15Å; C405-F573 HydrophobicContact CB-CZ 4.13Å; F455-F573 AromaticContact CZ-CD1 3.96Å; F455-F573 HydrophobicContact CZ-CD1 3.96Å; F455-F573 HydrophobicContact CZ-CE1 4.21Å; A569-F573 VanDerWaalsContact O-CB 3.23Å; A569-F573 WeakPolarHBondContact O-CB 3.43Å; A569-F573 PolarHBondContact O-N 2.89Å; A570-F573 PolarHBondContact O-N 3.45Å; T571-F573 PolarHBondContact O-N 3.25Å; F573-N575 PolarHBondContact O-N 3.35Å; F573-S576 WeakPolarHBondContact O-CB 3.31Å; F573-S576 PolarHBondContact O-N 2.89Å; F573-M577 HydrophobicContact CD2-CG 4.08Å; F573-M577 HydrophobicContact CE1-CG 4.3Å; F573-M577 HydrophobicContact CE2-CE 3.86Å; F573-M577 HydrophobicContact CE2-CG 3.41Å; F573-M577 VanDerWaalsContact CE2-CG 3.41Å; F573-M577 HydrophobicContact CE2-SD 3.72Å; F573-M577 HydrophobicContact CZ-CG 3.59Å; F573-M577 HydrophobicContact CZ-SD 4.01Å; F573-M577 WeakPolarHBondContact O-CG 3.33Å; F573-M577 PolarHBondContact O-N 3.28Å |
| 574 | K | 82.3 | Confident | 76.2 | Confident | 36 Ų | 36 | 58 Ų | 58 | 16% | 0.157 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -54 | -50.7 | 174 | 174 | 179.6 | 166.5 | 166.7 | 0 | 111.6 | E448 F455 A570 T571 S576 M577 I578 | E448-K574 HydrophobicContact CG-CD 3.8Å; E448-K574 HydrophobicContact CG-CG 4.18Å; E448-K574 PolarHBondContact O-NZ 3.05Å; E448-K574 WeakPolarHBondContact OE1-CE 3.28Å; F455-K574 HydrophobicContact CD2-CB 4.44Å; A570-K574 WeakPolarHBondContact O-CB 3.3Å; A570-K574 PolarHBondContact O-N 3.4Å; T571-K574 PolarHBondContact O-N 3.23Å; K574-S576 VanDerWaalsContact C-N 3.32Å; K574-S576 PolarHBondContact O-N 3.36Å; K574-M577 PolarHBondContact O-N 3.35Å; K574-M577 VanDerWaalsContact O-N 3.15Å; K574-I578 HydrophobicContact CG-CD1 4.01Å; K574-I578 WeakPolarHBondContact O-CG1 3.45Å; K574-I578 PolarHBondContact O-N 3.42Å |
| 575 | N | 83.6 | Confident | 77.7 | Confident | 82 Ų | 82 | 51 Ų | 51 | 44% | 0.439 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.7 | -40.8 | -179.6 | -69.4 | -15.2 | 0 | 0 | 0 | 111.9 | T571 I572 F573 M577 I578 S579 | T571-N575 WeakPolarHBondContact O-CB 3.05Å; T571-N575 VanDerWaalsContact O-CG 3.26Å; T571-N575 PolarHBondContact O-N 3.47Å; T571-N575 PolarHBondContact O-ND2 3.48Å; I572-N575 PolarHBondContact O-N 3.03Å; F573-N575 PolarHBondContact O-N 3.35Å; N575-M577 VanDerWaalsContact C-N 3.31Å; N575-M577 PolarHBondContact O-N 3.19Å; N575-I578 PolarHBondContact O-N 3.46Å; N575-S579 PolarHBondContact O-N 3.45Å |
| 576 | S | 80.9 | Confident | 79.1 | Confident | 45 Ų | 45 | 46.9 Ų | 46.9 | 32% | 0.315 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.9 | -37.6 | 176.2 | -58.2 | 0 | 0 | 0 | 0 | 112.1 | I572 F573 K574 L580 | I572-S576 WeakPolarHBondContact O-CB 3.46Å; I572-S576 PolarHBondContact O-N 2.93Å; I572-S576 PolarHBondContact O-OG 3.42Å; F573-S576 WeakPolarHBondContact O-CB 3.31Å; F573-S576 PolarHBondContact O-N 2.89Å; K574-S576 VanDerWaalsContact C-N 3.32Å; K574-S576 PolarHBondContact O-N 3.36Å; S576-L580 WeakPolarHBondContact O-CB 3.27Å; S576-L580 PolarHBondContact O-N 2.93Å |
| 577 | M | 81.4 | Confident | 80.3 | Confident | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.015 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -72.7 | -38.5 | 177.5 | -68.8 | -60.6 | 96.8 | 0 | 0 | 113.1 | Y184 L185 Y404 C405 K408 F573 K574 N575 L580 V581 | Y184-M577 HydrophobicContact CD1-CE 3.9Å; Y184-M577 HydrophobicContact CG-CE 4.26Å; L185-M577 HydrophobicContact CD1-CE 3.73Å; L185-M577 HydrophobicContact CD1-SD 4.34Å; Y404-M577 HydrophobicContact CE1-CB 4.35Å; Y404-M577 HydrophobicContact CE1-CG 4.26Å; C405-M577 HydrophobicContact CB-SD 3.96Å; C405-M577 PolarHBondContact SG-SD 3.15Å; K408-M577 HydrophobicContact CD-CB 4.4Å; F573-M577 HydrophobicContact CD2-CG 4.08Å; F573-M577 HydrophobicContact CE1-CG 4.3Å; F573-M577 HydrophobicContact CE2-CE 3.86Å; F573-M577 HydrophobicContact CE2-CG 3.41Å; F573-M577 VanDerWaalsContact CE2-CG 3.41Å; F573-M577 HydrophobicContact CE2-SD 3.72Å; F573-M577 HydrophobicContact CZ-CG 3.59Å; F573-M577 HydrophobicContact CZ-SD 4.01Å; F573-M577 WeakPolarHBondContact O-CG 3.33Å; F573-M577 PolarHBondContact O-N 3.28Å; K574-M577 PolarHBondContact O-N 3.35Å; K574-M577 VanDerWaalsContact O-N 3.15Å; N575-M577 VanDerWaalsContact C-N 3.31Å; N575-M577 PolarHBondContact O-N 3.19Å; M577-L580 HydrophobicContact CE-CD2 3.95Å; M577-L580 PolarHBondContact O-N 2.71Å; M577-L580 HydrophobicContact SD-CD2 4.34Å; M577-V581 WeakPolarHBondContact O-CB 3.44Å; M577-V581 VanDerWaalsContact O-CG2 3.26Å; M577-V581 WeakPolarHBondContact O-CG2 3.18Å; M577-V581 PolarHBondContact O-N 2.93Å |
| 578 | I | 84.8 | Confident | 81.3 | Confident | 49 Ų | 49 | 39 Ų | 39 | 25% | 0.251 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.2 | -50.3 | 172.5 | -65.6 | 165.4 | 0 | 0 | 0 | 109.4 | E448 K574 N575 L580 V581 E582 | E448-I578 VanDerWaalsContact OE1-CD1 3.31Å; E448-I578 WeakPolarHBondContact OE1-CD1 3.33Å; E448-I578 WeakPolarHBondContact OE1-CG1 3.35Å; K574-I578 HydrophobicContact CG-CD1 4.01Å; K574-I578 WeakPolarHBondContact O-CG1 3.45Å; K574-I578 PolarHBondContact O-N 3.42Å; N575-I578 PolarHBondContact O-N 3.46Å; I578-L580 VanDerWaalsContact C-N 3.32Å; I578-L580 PolarHBondContact O-N 3.3Å; I578-V581 PolarHBondContact O-N 2.87Å; I578-V581 VanDerWaalsContact O-N 3.15Å; I578-E582 HydrophobicContact CG2-CG 4.41Å; I578-E582 WeakPolarHBondContact O-CG 3.49Å; I578-E582 PolarHBondContact O-N 3.21Å |
| 579 | S | 84.5 | Confident | 82.1 | Confident | 66 Ų | 66 | 39 Ų | 39 | 46% | 0.462 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.2 | -41 | 178.4 | -179.5 | 0 | 0 | 0 | 0 | 112.6 | N575 N583 | N575-S579 PolarHBondContact O-N 3.45Å; S579-N583 VanDerWaalsContact O-CB 3.29Å; S579-N583 WeakPolarHBondContact O-CB 3.44Å; S579-N583 PolarHBondContact O-N 3.48Å |
| 580 | L | 83.5 | Confident | 82.9 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.7 | -46.2 | 175 | 177.7 | 57.8 | 0 | 0 | 0 | 112 | Y184 L384 S576 M577 I578 N583 L584 | Y184-L580 HydrophobicContact CD1-CD2 4.5Å; Y184-L580 HydrophobicContact CD2-CD1 4.37Å; Y184-L580 HydrophobicContact CD2-CD2 4.21Å; Y184-L580 HydrophobicContact CE1-CB 4.04Å; Y184-L580 HydrophobicContact CE1-CD1 4.5Å; Y184-L580 HydrophobicContact CE2-CD1 3.63Å; Y184-L580 HydrophobicContact CE2-CD2 4.23Å; Y184-L580 HydrophobicContact CE2-CG 4.36Å; Y184-L580 HydrophobicContact CG-CD2 4.35Å; L384-L580 HydrophobicContact CD1-CD1 4.45Å; S576-L580 WeakPolarHBondContact O-CB 3.27Å; S576-L580 PolarHBondContact O-N 2.93Å; M577-L580 HydrophobicContact CE-CD2 3.95Å; M577-L580 PolarHBondContact O-N 2.71Å; M577-L580 HydrophobicContact SD-CD2 4.34Å; I578-L580 VanDerWaalsContact C-N 3.32Å; I578-L580 PolarHBondContact O-N 3.3Å; L580-N583 PolarHBondContact O-N 3.44Å; L580-L584 HydrophobicContact CD1-CD1 3.99Å; L580-L584 HydrophobicContact CD1-CG 4.1Å; L580-L584 HydrophobicContact CG-CD1 3.94Å; L580-L584 HydrophobicContact CG-CG 4.47Å; L580-L584 VanDerWaalsContact O-CG 3.26Å; L580-L584 WeakPolarHBondContact O-CG 3.47Å; L580-L584 PolarHBondContact O-N 3.45Å |
| 581 | V | 84.7 | Confident | 83.6 | Confident | 28 Ų | 28 | 40.2 Ų | 40.2 | 17% | 0.17 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.1 | -42 | -178.8 | 166.4 | 0 | 0 | 0 | 0 | 111.3 | K408 L412 M577 I578 N583 L584 A585 | K408-V581 HydrophobicContact CD-CG2 4.01Å; K408-V581 HydrophobicContact CG-CG2 3.9Å; L412-V581 HydrophobicContact CD1-CG1 4.21Å; L412-V581 HydrophobicContact CD2-CG1 4.16Å; M577-V581 WeakPolarHBondContact O-CB 3.44Å; M577-V581 VanDerWaalsContact O-CG2 3.26Å; M577-V581 WeakPolarHBondContact O-CG2 3.18Å; M577-V581 PolarHBondContact O-N 2.93Å; I578-V581 PolarHBondContact O-N 2.87Å; I578-V581 VanDerWaalsContact O-N 3.15Å; V581-N583 VanDerWaalsContact C-N 3.31Å; V581-N583 PolarHBondContact O-N 3.01Å; V581-L584 PolarHBondContact O-N 3.32Å; V581-A585 VanDerWaalsContact O-CB 3.27Å; V581-A585 WeakPolarHBondContact O-CB 3.36Å; V581-A585 PolarHBondContact O-N 3.09Å |
| 582 | E | 86 | Confident | 84.2 | Confident | 130 Ų | 130 | 38.8 Ų | 38.8 | 61% | 0.607 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -60.7 | -42.4 | 173.6 | -72 | 176 | 169.9 | 0 | 0 | 111.4 | I578 L584 A585 S586 | I578-E582 HydrophobicContact CG2-CG 4.41Å; I578-E582 WeakPolarHBondContact O-CG 3.49Å; I578-E582 PolarHBondContact O-N 3.21Å; E582-L584 VanDerWaalsContact C-N 3.31Å; E582-L584 PolarHBondContact O-N 2.82Å; E582-A585 PolarHBondContact O-N 2.82Å; E582-S586 PolarHBondContact O-N 2.81Å |
| 583 | N | 84.2 | Confident | 84.9 | Confident | 44 Ų | 44 | 35.2 Ų | 35.2 | 24% | 0.235 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.2 | -27.1 | 178 | -165.3 | 19.4 | 0 | 0 | 0 | 113.5 | Y165 S579 L580 V581 S586 K587 | Y165-N583 WeakPolarHBondContact CE1-ND2 3.28Å; S579-N583 VanDerWaalsContact O-CB 3.29Å; S579-N583 WeakPolarHBondContact O-CB 3.44Å; S579-N583 PolarHBondContact O-N 3.48Å; L580-N583 PolarHBondContact O-N 3.44Å; V581-N583 VanDerWaalsContact C-N 3.31Å; V581-N583 PolarHBondContact O-N 3.01Å; N583-S586 PolarHBondContact O-OG 3.03Å; N583-S586 VanDerWaalsContact O-OG 3.06Å; N583-K587 PolarHBondContact O-NZ 3.4Å; N583-K587 VanDerWaalsContact O-NZ 3.15Å; N583-K587 PolarHBondContact OD1-NZ 3.48Å |
| 584 | L | 84.1 | Confident | 85.5 | Confident | 8 Ų | 8 | 34.9 Ų | 34.9 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -81.9 | -37.4 | 174.3 | -70.4 | 170.3 | 0 | 0 | 0 | 111.7 | C97 V99 Y165 L384 L409 L412 L580 V581 E582 S586 K587 | C97-L584 HydrophobicContact CB-CD2 4.22Å; C97-L584 WeakPolarHBondContact SG-CD2 3.48Å; V99-L584 HydrophobicContact CG2-CD2 4.43Å; Y165-L584 HydrophobicContact CE2-CD2 4.1Å; L384-L584 HydrophobicContact CD2-CD1 3.84Å; L384-L584 HydrophobicContact CD2-CD2 4.21Å; L409-L584 HydrophobicContact CD2-CD1 3.57Å; L412-L584 HydrophobicContact CD2-CB 3.68Å; L412-L584 HydrophobicContact CD2-CD1 4.21Å; L580-L584 HydrophobicContact CD1-CD1 3.99Å; L580-L584 HydrophobicContact CD1-CG 4.1Å; L580-L584 HydrophobicContact CG-CD1 3.94Å; L580-L584 HydrophobicContact CG-CG 4.47Å; L580-L584 VanDerWaalsContact O-CG 3.26Å; L580-L584 WeakPolarHBondContact O-CG 3.47Å; L580-L584 PolarHBondContact O-N 3.45Å; V581-L584 PolarHBondContact O-N 3.32Å; E582-L584 VanDerWaalsContact C-N 3.31Å; E582-L584 PolarHBondContact O-N 2.82Å; L584-S586 PolarHBondContact O-N 3.48Å; L584-K587 PolarHBondContact O-N 2.86Å; L584-K587 VanDerWaalsContact O-N 3.12Å |
| 585 | A | 84.1 | Confident | 85.9 | Confident | 49 Ų | 49 | 33.1 Ų | 33.1 | 41% | 0.405 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -66.6 | -25.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | L412 V581 E582 K587 | L412-A585 HydrophobicContact CD1-CB 4.1Å; V581-A585 VanDerWaalsContact O-CB 3.27Å; V581-A585 WeakPolarHBondContact O-CB 3.36Å; V581-A585 PolarHBondContact O-N 3.09Å; E582-A585 PolarHBondContact O-N 2.82Å; A585-K587 VanDerWaalsContact C-N 3.3Å |
| 586 | S | 84.1 | Confident | 86.1 | Confident | 82 Ų | 82 | 29.3 Ų | 29.3 | 57% | 0.573 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77 | -12.2 | 174.3 | 64.4 | 0 | 0 | 0 | 0 | 114 | E582 N583 L584 | E582-S586 PolarHBondContact O-N 2.81Å; N583-S586 PolarHBondContact O-OG 3.03Å; N583-S586 VanDerWaalsContact O-OG 3.06Å; L584-S586 PolarHBondContact O-N 3.48Å |
| 587 | K | 85.6 | Confident | 86.5 | Confident | 14 Ų | 14 | 27.1 Ų | 27.1 | 6% | 0.061 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -111.8 | 154.6 | -175.7 | -57.4 | -164.9 | 178.1 | 80.9 | 0 | 112.3 | D95 C97 Y165 D167 N583 L584 A585 P589 | D95-K587 HydrophobicContact CB-CB 4.29Å; D95-K587 HydrophobicContact CB-CD 3.96Å; D95-K587 HydrophobicContact CB-CG 3.71Å; D95-K587 CarbonylContact O-C 3.55Å; D95-K587 WeakPolarHBondContact O-CA 3.44Å; C97-K587 HydrophobicContact CB-CB 4.07Å; C97-K587 HydrophobicContact CB-CD 4.21Å; Y165-K587 WeakPolarHBondContact OH-CE 3.48Å; Y165-K587 PolarHBondContact OH-NZ 3.25Å; D167-K587 IonicContact OD1-NZ 3.42Å; N583-K587 PolarHBondContact O-NZ 3.4Å; N583-K587 VanDerWaalsContact O-NZ 3.15Å; N583-K587 PolarHBondContact OD1-NZ 3.48Å; L584-K587 PolarHBondContact O-N 2.86Å; L584-K587 VanDerWaalsContact O-N 3.12Å; A585-K587 VanDerWaalsContact C-N 3.3Å; K587-P589 WeakPolarHBondContact O-CD 3.3Å |
| 588 | E | 83.6 | Confident | 86.7 | Confident | 29 Ų | 29 | 27 Ų | 27 | 14% | 0.136 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 115.4 | 172.7 | -172.4 | 168.6 | 179.7 | 0 | 0 | 109.8 | R92 D95 T96 C97 Y590 | R92-E588 IonicContact NH1-OE1 2.85Å; R92-E588 PolarHBondContact NH1-OE1 2.97Å; R92-E588 IonicContact NH1-OE2 3.18Å; D95-E588 PolarHBondContact O-N 3.43Å; T96-E588 CarbonylContact C-O 3.53Å; T96-E588 VanDerWaalsContact CA-O 3.28Å; T96-E588 WeakPolarHBondContact CA-O 3.5Å; T96-E588 HydrophobicContact CG2-CB 4.35Å; C97-E588 PolarHBondContact N-O 2.98Å; E588-Y590 HydrophobicContact CG-CE2 4.45Å |
| 589 | P | 86.8 | Confident | 86.5 | Confident | 20 Ų | 20 | 27.9 Ų | 27.9 | 13% | 0.13 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 140.2 | -170.2 | 38.2 | -37.6 | 0 | 0 | 0 | 112.9 | C97 L416 K587 Y591 | C97-P589 CarbonylContact O-C 3.56Å; C97-P589 WeakPolarHBondContact O-CA 3.36Å; L416-P589 HydrophobicContact CB-CG 4.43Å; L416-P589 HydrophobicContact CD1-CG 3.88Å; K587-P589 WeakPolarHBondContact O-CD 3.3Å; P589-Y591 HydrophobicContact CB-CE2 3.58Å; P589-Y591 WeakPolarHBondContact CB-OH 3.44Å; P589-Y591 HydrophobicContact CG-CE2 3.77Å |
| 590 | Y | 88.6 | Confident | 86.4 | Confident | 18 Ų | 18 | 30 Ų | 30 | 7% | 0.071 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 144.7 | 169.7 | -67.5 | -83.7 | 0 | 0 | 0 | 109.1 | I81 A84 A85 A88 T96 C97 I98 V99 E588 | I81-Y590 HydrophobicContact CD1-CD1 4.44Å; I81-Y590 HydrophobicContact CG2-CD1 4.32Å; I81-Y590 HydrophobicContact CG2-CG 4.23Å; A84-Y590 HydrophobicContact CB-CE1 3.93Å; A85-Y590 VanDerWaalsContact CA-CE2 3.48Å; A85-Y590 HydrophobicContact CB-CD2 3.69Å; A85-Y590 HydrophobicContact CB-CE2 3.74Å; A85-Y590 HydrophobicContact CB-CG 4.38Å; A88-Y590 HydrophobicContact CB-CE2 4.48Å; A88-Y590 VanDerWaalsContact CB-OH 3.31Å; A88-Y590 WeakPolarHBondContact CB-OH 3.25Å; T96-Y590 HydrophobicContact CG2-CE2 4.1Å; C97-Y590 PolarHBondContact O-N 3.47Å; I98-Y590 CarbonylContact C-O 3.54Å; I98-Y590 WeakPolarHBondContact CA-O 3.43Å; V99-Y590 PolarHBondContact N-O 3.04Å; E588-Y590 HydrophobicContact CG-CE2 4.45Å |
| 591 | Y | 88.6 | Confident | 86.3 | Confident | 15 Ų | 15 | 33.7 Ų | 33.7 | 6% | 0.059 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 136.4 | -170.6 | -62.2 | -89.9 | 0 | 0 | 0 | 112.6 | V45 V46 V99 F413 P589 | V45-Y591 HydrophobicContact CG2-CD2 4.48Å; V46-Y591 PolarHBondContact N-O 3.43Å; V99-Y591 HydrophobicContact CB-CD1 3.76Å; V99-Y591 HydrophobicContact CB-CE1 3.88Å; V99-Y591 HydrophobicContact CG1-CD1 4.19Å; V99-Y591 HydrophobicContact CG1-CE1 4.25Å; V99-Y591 HydrophobicContact CG2-CD1 4.39Å; V99-Y591 HydrophobicContact CG2-CE1 4.04Å; V99-Y591 WeakPolarHBondContact O-CA 3.41Å; F413-Y591 HydrophobicContact CB-CE1 4.19Å; F413-Y591 AromaticContact CD2-CD1 3.88Å; F413-Y591 HydrophobicContact CD2-CD1 3.88Å; F413-Y591 AromaticContact CD2-CD2 3.73Å; F413-Y591 HydrophobicContact CD2-CD2 3.73Å; F413-Y591 AromaticContact CD2-CE1 3.5Å; F413-Y591 HydrophobicContact CD2-CE1 3.5Å; F413-Y591 AromaticContact CD2-CE2 3.33Å; F413-Y591 HydrophobicContact CD2-CE2 3.33Å; F413-Y591 AromaticContact CD2-CG 3.99Å; F413-Y591 HydrophobicContact CD2-CG 3.99Å; F413-Y591 AromaticContact CD2-CZ 3.22Å; F413-Y591 HydrophobicContact CE2-CD1 4.14Å; F413-Y591 AromaticContact CE2-CD2 3.48Å; F413-Y591 HydrophobicContact CE2-CD2 3.48Å; F413-Y591 VanDerWaalsContact CE2-CD2 3.48Å; F413-Y591 HydrophobicContact CE2-CE1 4.18Å; F413-Y591 AromaticContact CE2-CE2 3.54Å; F413-Y591 HydrophobicContact CE2-CE2 3.54Å; F413-Y591 AromaticContact CE2-CG 3.8Å; F413-Y591 HydrophobicContact CE2-CG 3.8Å; F413-Y591 AromaticContact CE2-CZ 3.91Å; F413-Y591 HydrophobicContact CG-CE1 4.17Å; P589-Y591 HydrophobicContact CB-CE2 3.58Å; P589-Y591 WeakPolarHBondContact CB-OH 3.44Å; P589-Y591 HydrophobicContact CG-CE2 3.77Å |
| 592 | V | 91.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 121.1 | 171.4 | -175.3 | 0 | 0 | 0 | 0 | 108.1 | V46 L78 I98 V99 I100 S101 I115 | V46-V592 CarbonylContact O-C 3.58Å; V46-V592 WeakPolarHBondContact O-CA 3.5Å; L78-V592 HydrophobicContact CD1-CB 4.37Å; L78-V592 HydrophobicContact CD1-CG1 3.74Å; L78-V592 HydrophobicContact CD1-CG2 3.67Å; I98-V592 HydrophobicContact CG2-CG2 4.05Å; V99-V592 PolarHBondContact O-N 3Å; I100-V592 WeakPolarHBondContact CA-O 3.26Å; I100-V592 HydrophobicContact CG1-CB 4.23Å; I100-V592 HydrophobicContact CG2-CB 4.37Å; I100-V592 HydrophobicContact CG2-CG1 4.44Å; S101-V592 PolarHBondContact N-O 2.8Å; I115-V592 HydrophobicContact CD1-CG2 4.37Å |
| 593 | R | 91.2 | Very high | 86 | Confident | 13 Ų | 13 | 30.2 Ų | 30.2 | 5% | 0.049 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 109.9 | -179.3 | -56.2 | -57.5 | -166.2 | 154.7 | 6.9 | 108.7 | V45 V46 V47 S48 S101 L618 L620 | V45-R593 HydrophobicContact CG1-CG 3.73Å; V46-R593 PolarHBondContact O-N 3.4Å; V47-R593 CarbonylContact C-O 3.57Å; V47-R593 VanDerWaalsContact CA-O 3.3Å; V47-R593 WeakPolarHBondContact CA-O 3.24Å; S48-R593 PolarHBondContact N-O 2.8Å; S101-R593 WeakPolarHBondContact OG-CD 3.24Å; S101-R593 PolarHBondContact OG-NH1 3.14Å; R593-L618 HydrophobicContact CB-CD1 4.26Å; R593-L620 HydrophobicContact CB-CD2 3.89Å; R593-L620 HydrophobicContact CG-CD2 3.75Å |
| 594 | C | 91.1 | Very high | 86 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 134 | -177.2 | -64.2 | 0 | 0 | 0 | 0 | 111.1 | S48 S101 G102 A106 K108 | S48-C594 CarbonylContact O-C 3.56Å; S48-C594 VanDerWaalsContact O-CA 3.28Å; S48-C594 WeakPolarHBondContact O-CA 3.12Å; S101-C594 PolarHBondContact O-N 3.26Å; G102-C594 WeakPolarHBondContact CA-O 3.24Å; A106-C594 HydrophobicContact CB-CB 3.67Å; K108-C594 HydrophobicContact CG-CB 4.12Å |
| 595 | I | 90.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 135.9 | 179.2 | -59.2 | 178.7 | 0 | 0 | 0 | 109.8 | L29 V47 S48 V49 N50 Q614 V615 L618 L620 | L29-I595 HydrophobicContact CD1-CD1 4.47Å; L29-I595 HydrophobicContact CD2-CD1 3.85Å; V47-I595 HydrophobicContact CG1-CD1 3.46Å; V47-I595 VanDerWaalsContact CG1-CD1 3.46Å; V47-I595 HydrophobicContact CG1-CG1 4.08Å; S48-I595 PolarHBondContact O-N 3.1Å; V49-I595 WeakPolarHBondContact CA-O 3.41Å; V49-I595 HydrophobicContact CG2-CB 4.39Å; N50-I595 PolarHBondContact N-O 3.13Å; I595-Q614 HydrophobicContact CG2-CB 4.34Å; I595-V615 HydrophobicContact CD1-CG2 4.28Å; I595-L618 HydrophobicContact CG1-CD1 3.9Å; I595-L620 HydrophobicContact CD1-CD1 3.89Å |
| 596 | K | 87.9 | Confident | 86.3 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | trans | -92.2 | 115.1 | 173.9 | -172 | -176.3 | -177.7 | -175.9 | 0 | 109.7 | Y52 A106 R155 N598 D599 Q614 | Y52-K596 WeakPolarHBondContact OH-CE 3.41Å; Y52-K596 WeakPolarHBondContact OH-CG 3.32Å; A106-K596 HydrophobicContact CB-CB 4.28Å; R155-K596 PolarHBondContact O-NZ 2.72Å; K596-N598 WeakPolarHBondContact CE-O 3.35Å; K596-N598 WeakPolarHBondContact CG-O 3.21Å; K596-N598 PolarHBondContact O-N 3.25Å; K596-D599 WeakPolarHBondContact CE-OD1 3.35Å; K596-D599 IonicContact NZ-OD1 2.95Å; K596-D599 PolarHBondContact NZ-OD1 3.15Å; K596-Q614 PolarHBondContact O-NE2 3.43Å | ||
| 597 | P | 89.3 | Confident | 86.5 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -73.5 | -25.7 | -174.5 | 27.4 | -33.4 | 0 | 0 | 0 | 114.5 | F33 V49 N50 Y52 F606 E607 | F33-P597 HydrophobicContact CE1-CB 4.24Å; F33-P597 HydrophobicContact CE2-CB 4.11Å; F33-P597 HydrophobicContact CE2-CG 3.94Å; F33-P597 HydrophobicContact CZ-CB 3.89Å; F33-P597 HydrophobicContact CZ-CG 3.79Å; V49-P597 HydrophobicContact CG1-CB 3.89Å; V49-P597 HydrophobicContact CG1-CG 4.03Å; N50-P597 WeakPolarHBondContact O-CD 3.34Å; N50-P597 WeakPolarHBondContact O-CG 3.03Å; Y52-P597 HydrophobicContact CD2-CG 4.03Å; Y52-P597 HydrophobicContact CE2-CG 3.69Å; P597-F606 HydrophobicContact CB-CD2 4.01Å; P597-E607 PolarHBondContact O-N 3.29Å | ||
| 598 | N | 86.9 | Confident | 86.5 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -162.9 | 162.7 | -178.6 | 63 | 80.3 | 0 | 0 | 0 | 111.8 | Y52 K596 V600 K601 S602 L605 E607 | Y52-N598 PolarHBondContact OH-O 3.23Å; K596-N598 WeakPolarHBondContact CE-O 3.35Å; K596-N598 WeakPolarHBondContact CG-O 3.21Å; K596-N598 PolarHBondContact O-N 3.25Å; N598-V600 PolarHBondContact OD1-N 3.05Å; N598-K601 WeakPolarHBondContact OD1-CA 2.74Å; N598-K601 PolarHBondContact OD1-N 2.67Å; N598-S602 PolarHBondContact ND2-O 3.34Å; N598-S602 PolarHBondContact OD1-N 2.91Å; N598-L605 HydrophobicContact CB-CB 4.39Å; N598-L605 HydrophobicContact CB-CD2 3.41Å; N598-L605 VanDerWaalsContact CB-CD2 3.41Å; N598-L605 PolarHBondContact ND2-O 3.17Å; N598-E607 HydrophobicContact CB-CG 4.4Å | ||
| 599 | D | 80.1 | Confident | 86.6 | Confident | 67 Ų | 67 | 44.7 Ų | 44.7 | 36% | 0.358 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -83.5 | -27 | 177.5 | -95.9 | -10.8 | 0 | 0 | 0 | 115.3 | K596 K601 R610 | K596-D599 WeakPolarHBondContact CE-OD1 3.35Å; K596-D599 IonicContact NZ-OD1 2.95Å; K596-D599 PolarHBondContact NZ-OD1 3.15Å; D599-K601 PolarHBondContact O-N 3.16Å; D599-R610 IonicContact OD1-CZ 2.81Å; D599-R610 IonicContact OD1-NE 3.96Å; D599-R610 PolarHBondContact OD1-NE 2.88Å; D599-R610 IonicContact OD1-NH1 2.64Å; D599-R610 PolarHBondContact OD1-NH1 3.07Å; D599-R610 IonicContact OD1-NH2 3.83Å; D599-R610 PolarHBondContact OD1-NH2 3.34Å; D599-R610 IonicContact OD2-CZ 3.49Å; D599-R610 IonicContact OD2-NH1 3.57Å; D599-R610 PolarHBondContact OD2-NH1 3.32Å; D599-R610 IonicContact OD2-NH2 3.71Å |
| 600 | V | 82.1 | Confident | 86.4 | Confident | 112 Ų | 112 | 45.6 Ų | 45.6 | 68% | 0.679 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -75.6 | -3.5 | -175.1 | -166.1 | 0 | 0 | 0 | 0 | 112.3 | N598 S602 | N598-V600 PolarHBondContact OD1-N 3.05Å; V600-S602 PolarHBondContact O-N 3.25Å |
| 601 | K | 80.6 | Confident | 86.3 | Confident | 77 Ų | 77 | 44.8 Ų | 44.8 | 34% | 0.335 | 24% | 0.235 | S | C | . | . | trans | 59.3 | 32.3 | -176.2 | -53.1 | 174 | -174.6 | 154.6 | 0 | 113.1 | Y52 D157 N598 D599 | Y52-K601 HydrophobicContact CD1-CB 3.97Å; Y52-K601 HydrophobicContact CD1-CG 4.42Å; Y52-K601 HydrophobicContact CE1-CB 3.9Å; Y52-K601 HydrophobicContact CE1-CG 3.91Å; Y52-K601 HydrophobicContact CG-CB 4.4Å; D157-K601 IonicContact OD1-NZ 3.2Å; D157-K601 PolarHBondContact OD1-NZ 2.93Å; D157-K601 IonicContact OD2-NZ 3.74Å; D157-K601 PolarHBondContact OD2-NZ 3.07Å; N598-K601 WeakPolarHBondContact OD1-CA 2.74Å; N598-K601 PolarHBondContact OD1-N 2.67Å; D599-K601 PolarHBondContact O-N 3.16Å | ||
| 602 | S | 83.1 | Confident | 86.2 | Confident | 35 Ų | 35 | 49.1 Ų | 49.1 | 25% | 0.245 | 25% | 0.251 | C | S | . | . | trans | -86.2 | 135.1 | 178.3 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | Y52 N598 V600 L604 | Y52-S602 WeakPolarHBondContact CD2-O 3.4Å; N598-S602 PolarHBondContact ND2-O 3.34Å; N598-S602 PolarHBondContact OD1-N 2.91Å; V600-S602 PolarHBondContact O-N 3.25Å; S602-L604 VanDerWaalsContact C-N 3.28Å; S602-L604 PolarHBondContact O-N 3.35Å | ||
| 603 | P | 82.6 | Confident | 85.7 | Confident | 51 Ų | 51 | 54.6 Ų | 54.6 | 33% | 0.331 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -74.1 | -14.5 | -179.7 | 29.6 | -35.4 | 0 | 0 | 0 | 114.2 | F33 P51 R53 | F33-P603 WeakPolarHBondContact CZ-O 3.48Å; P51-P603 WeakPolarHBondContact O-CA 3.24Å; P51-P603 VanDerWaalsContact O-CB 3.31Å; P51-P603 WeakPolarHBondContact O-CB 3.41Å; R53-P603 HydrophobicContact CB-CB 4.36Å; R53-P603 HydrophobicContact CG-CB 4.41Å |
| 604 | L | 83.8 | Confident | 85.4 | Confident | 148 Ų | 148 | 54 Ų | 54 | 78% | 0.775 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -106.5 | -18.2 | -176 | -66.1 | 171 | 0 | 0 | 0 | 113.4 | S602 | S602-L604 VanDerWaalsContact C-N 3.28Å; S602-L604 PolarHBondContact O-N 3.35Å |
| 605 | L | 87 | Confident | 85.1 | Confident | 74 Ų | 74 | 54 Ų | 54 | 39% | 0.387 | 27% | 0.274 | S | S | . | . | trans | -88.7 | 134 | -171.7 | -163.2 | 131.4 | 0 | 0 | 0 | 110.5 | N598 E607 | N598-L605 HydrophobicContact CB-CB 4.39Å; N598-L605 HydrophobicContact CB-CD2 3.41Å; N598-L605 VanDerWaalsContact CB-CD2 3.41Å; N598-L605 PolarHBondContact ND2-O 3.17Å; L605-E607 HydrophobicContact CD2-CG 3.68Å; L605-E607 VanDerWaalsContact CD2-OE1 3.3Å; L605-E607 WeakPolarHBondContact CD2-OE1 3.49Å | ||
| 606 | F | 87.2 | Confident | 84.7 | Confident | 23 Ų | 23 | 57.5 Ų | 57.5 | 10% | 0.101 | 29% | 0.291 | C | S | . | . | trans | -129.8 | 111.5 | 176.1 | -175.8 | -84.9 | 0 | 0 | 0 | 108.8 | M26 L29 K30 F33 P597 P608 C611 | M26-F606 HydrophobicContact CE-CE1 4Å; M26-F606 HydrophobicContact CE-CZ 4.04Å; L29-F606 HydrophobicContact CB-CZ 4.5Å; L29-F606 HydrophobicContact CD2-CE2 4.17Å; L29-F606 HydrophobicContact CD2-CZ 4.03Å; L29-F606 HydrophobicContact CG-CE2 4.31Å; L29-F606 HydrophobicContact CG-CZ 4.33Å; K30-F606 HydrophobicContact CB-CD1 4Å; K30-F606 HydrophobicContact CB-CE1 3.82Å; K30-F606 HydrophobicContact CB-CZ 4.19Å; K30-F606 HydrophobicContact CD-CD1 4.11Å; K30-F606 HydrophobicContact CD-CE1 4.5Å; K30-F606 HydrophobicContact CG-CD1 3.86Å; K30-F606 HydrophobicContact CG-CE1 4.2Å; K30-F606 HydrophobicContact CG-CG 4.26Å; F33-F606 HydrophobicContact CB-CD2 4.27Å; F33-F606 HydrophobicContact CD1-CB 4.07Å; F33-F606 AromaticContact CD1-CD2 3.87Å; F33-F606 HydrophobicContact CD1-CD2 3.87Å; F33-F606 HydrophobicContact CD1-CG 4.4Å; F33-F606 HydrophobicContact CE1-CB 4.31Å; F33-F606 HydrophobicContact CE1-CD2 4.46Å; F33-F606 HydrophobicContact CG-CD2 4.1Å; P597-F606 HydrophobicContact CB-CD2 4.01Å; F606-P608 HydrophobicContact CE1-CB 4.48Å; F606-P608 WeakPolarHBondContact O-CD 3.32Å; F606-C611 HydrophobicContact CE1-CB 4.18Å; F606-C611 HydrophobicContact CE2-CB 4.28Å; F606-C611 HydrophobicContact CZ-CB 3.71Å | ||
| 607 | E | 88.9 | Confident | 84.1 | Confident | 59 Ų | 59 | 58 Ų | 58 | 28% | 0.276 | 29% | 0.293 | S | S | . | . | trans | -90.3 | 107.8 | 178.4 | -80.9 | 161.6 | -154.4 | 0 | 0 | 109.7 | P597 N598 L605 E609 R610 C611 | P597-E607 PolarHBondContact O-N 3.29Å; N598-E607 HydrophobicContact CB-CG 4.4Å; L605-E607 HydrophobicContact CD2-CG 3.68Å; L605-E607 VanDerWaalsContact CD2-OE1 3.3Å; L605-E607 WeakPolarHBondContact CD2-OE1 3.49Å; E607-E609 PolarHBondContact O-N 3.49Å; E607-R610 HydrophobicContact CB-CB 3.95Å; E607-R610 PolarHBondContact O-N 3.28Å; E607-C611 WeakPolarHBondContact O-CB 3.1Å; E607-C611 PolarHBondContact O-N 3.01Å; E607-C611 PolarHBondContact O-SG 2.91Å | ||
| 608 | P | 85.8 | Confident | 83.6 | Confident | 74 Ų | 74 | 58.3 Ų | 58.3 | 48% | 0.481 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.1 | -39.3 | -173.7 | 25.8 | -33.2 | 0 | 0 | 0 | 112.3 | M26 F606 R610 C611 R612 | M26-P608 HydrophobicContact CE-CB 4.42Å; M26-P608 WeakPolarHBondContact CE-O 3.26Å; F606-P608 HydrophobicContact CE1-CB 4.48Å; F606-P608 WeakPolarHBondContact O-CD 3.32Å; P608-R610 PolarHBondContact O-N 3.27Å; P608-C611 PolarHBondContact O-N 2.98Å; P608-R612 WeakPolarHBondContact O-CB 3.45Å; P608-R612 PolarHBondContact O-N 3.44Å |
| 609 | E | 85.4 | Confident | 83.1 | Confident | 152 Ų | 152 | 58.4 Ų | 58.4 | 71% | 0.71 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -63.3 | -43 | 179.2 | -63.7 | -174.1 | 166.7 | 0 | 0 | 111.8 | E607 R612 H613 | E607-E609 PolarHBondContact O-N 3.49Å; E609-R612 WeakPolarHBondContact O-CB 3.21Å; E609-R612 PolarHBondContact O-N 2.99Å; E609-H613 PolarHBondContact O-N 3.17Å |
| 610 | R | 82.1 | Confident | 83.3 | Confident | 39 Ų | 39 | 55.2 Ų | 55.2 | 15% | 0.147 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.9 | -45.4 | 178.3 | -164.2 | -167 | 179.4 | 87 | 2.4 | 111.8 | E103 D599 E607 P608 R612 H613 Q614 | E103-R610 IonicContact OE2-CZ 3.13Å; E103-R610 IonicContact OE2-NE 3.57Å; E103-R610 IonicContact OE2-NH2 2.74Å; E103-R610 PolarHBondContact OE2-NH2 3.48Å; D599-R610 IonicContact OD1-CZ 2.81Å; D599-R610 IonicContact OD1-NE 3.96Å; D599-R610 PolarHBondContact OD1-NE 2.88Å; D599-R610 IonicContact OD1-NH1 2.64Å; D599-R610 PolarHBondContact OD1-NH1 3.07Å; D599-R610 IonicContact OD1-NH2 3.83Å; D599-R610 PolarHBondContact OD1-NH2 3.34Å; D599-R610 IonicContact OD2-CZ 3.49Å; D599-R610 IonicContact OD2-NH1 3.57Å; D599-R610 PolarHBondContact OD2-NH1 3.32Å; D599-R610 IonicContact OD2-NH2 3.71Å; E607-R610 HydrophobicContact CB-CB 3.95Å; E607-R610 PolarHBondContact O-N 3.28Å; P608-R610 PolarHBondContact O-N 3.27Å; R610-R612 PolarHBondContact O-N 3.31Å; R610-H613 PolarHBondContact O-N 3.3Å; R610-Q614 VanDerWaalsContact O-CG 3.32Å; R610-Q614 WeakPolarHBondContact O-CG 3.44Å; R610-Q614 PolarHBondContact O-N 2.63Å; R610-Q614 VanDerWaalsContact O-N 3.14Å; R610-Q614 PolarHBondContact O-NE2 2.89Å; R610-Q614 VanDerWaalsContact O-NE2 3.16Å |
| 611 | C | 86.2 | Confident | 83.3 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.2 | -31.7 | 176.1 | -72.4 | 0 | 0 | 0 | 0 | 111 | M26 F606 E607 P608 Q614 V615 | M26-C611 HydrophobicContact CE-CB 3.33Å; M26-C611 HydrophobicContact SD-CB 4.2Å; F606-C611 HydrophobicContact CE1-CB 4.18Å; F606-C611 HydrophobicContact CE2-CB 4.28Å; F606-C611 HydrophobicContact CZ-CB 3.71Å; E607-C611 WeakPolarHBondContact O-CB 3.1Å; E607-C611 PolarHBondContact O-N 3.01Å; E607-C611 PolarHBondContact O-SG 2.91Å; P608-C611 PolarHBondContact O-N 2.98Å; C611-Q614 WeakPolarHBondContact O-CB 3.48Å; C611-Q614 PolarHBondContact O-N 2.95Å; C611-V615 VanDerWaalsContact O-CG2 3.28Å; C611-V615 WeakPolarHBondContact O-CG2 3.4Å; C611-V615 PolarHBondContact O-N 3.04Å |
| 612 | R | 86.7 | Confident | 83.1 | Confident | 106 Ų | 106 | 50.5 Ų | 50.5 | 40% | 0.4 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63 | -51.8 | 176.5 | -174.8 | -170.6 | 177.7 | 122.9 | -1.8 | 111 | M22 M26 P608 E609 R610 Q614 V615 E616 | M22-R612 HydrophobicContact CE-CB 4.16Å; M22-R612 HydrophobicContact CE-CG 3.31Å; M22-R612 WeakPolarHBondContact CE-O 3.43Å; M22-R612 HydrophobicContact CG-CG 3.89Å; M22-R612 HydrophobicContact SD-CG 4.46Å; M26-R612 HydrophobicContact CE-CB 4.28Å; M26-R612 HydrophobicContact SD-CB 4.42Å; P608-R612 WeakPolarHBondContact O-CB 3.45Å; P608-R612 PolarHBondContact O-N 3.44Å; E609-R612 WeakPolarHBondContact O-CB 3.21Å; E609-R612 PolarHBondContact O-N 2.99Å; R610-R612 PolarHBondContact O-N 3.31Å; R612-Q614 PolarHBondContact O-N 3.37Å; R612-V615 PolarHBondContact O-N 3.34Å; R612-V615 VanDerWaalsContact O-N 3.09Å; R612-E616 IonicContact NE-OE1 2.81Å; R612-E616 PolarHBondContact NE-OE1 3.47Å; R612-E616 PolarHBondContact O-N 2.76Å |
| 613 | H | 81.8 | Confident | 82.9 | Confident | 115 Ų | 115 | 49.1 Ų | 49.1 | 53% | 0.532 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -56.2 | -34.9 | 174.1 | -64.2 | 160.4 | 0 | 0 | 0 | 111.7 | E609 R610 E616 Y617 | E609-H613 PolarHBondContact O-N 3.17Å; R610-H613 PolarHBondContact O-N 3.3Å; H613-E616 IonicContact CD2-OE2 3.85Å; H613-E616 PolarHBondContact O-N 3.41Å; H613-Y617 WeakPolarHBondContact O-CD1 3.27Å; H613-Y617 PolarHBondContact O-N 3.44Å |
| 614 | Q | 85.2 | Confident | 82.8 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.5 | -38.4 | 176.5 | -65.3 | 173.3 | 77.5 | 0 | 0 | 115 | I595 K596 R610 C611 R612 E616 Y617 L618 | I595-Q614 HydrophobicContact CG2-CB 4.34Å; K596-Q614 PolarHBondContact O-NE2 3.43Å; R610-Q614 VanDerWaalsContact O-CG 3.32Å; R610-Q614 WeakPolarHBondContact O-CG 3.44Å; R610-Q614 PolarHBondContact O-N 2.63Å; R610-Q614 VanDerWaalsContact O-N 3.14Å; R610-Q614 PolarHBondContact O-NE2 2.89Å; R610-Q614 VanDerWaalsContact O-NE2 3.16Å; C611-Q614 WeakPolarHBondContact O-CB 3.48Å; C611-Q614 PolarHBondContact O-N 2.95Å; R612-Q614 PolarHBondContact O-N 3.37Å; Q614-E616 VanDerWaalsContact C-N 3.31Å; Q614-Y617 VanDerWaalsContact CA-CD1 3.49Å; Q614-Y617 HydrophobicContact CB-CD1 4.36Å; Q614-Y617 HydrophobicContact CB-CE1 3.6Å; Q614-Y617 WeakPolarHBondContact CB-OH 3.41Å; Q614-Y617 HydrophobicContact CG-CD1 4.34Å; Q614-Y617 HydrophobicContact CG-CE1 3.32Å; Q614-Y617 VanDerWaalsContact CG-OH 3.24Å; Q614-Y617 WeakPolarHBondContact CG-OH 3.39Å; Q614-Y617 PolarHBondContact OE1-OH 3.49Å; Q614-L618 VanDerWaalsContact O-CB 3.25Å; Q614-L618 WeakPolarHBondContact O-CB 3.31Å; Q614-L618 WeakPolarHBondContact O-CD1 3.2Å; Q614-L618 WeakPolarHBondContact O-CG 3.41Å; Q614-L618 PolarHBondContact O-N 3.01Å |
| 615 | V | 85.3 | Confident | 82.6 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.3 | -38.1 | 175.3 | 170.3 | 0 | 0 | 0 | 0 | 110.6 | M22 F25 M26 I595 C611 R612 G619 L620 | M22-V615 HydrophobicContact CE-CB 3.61Å; M22-V615 HydrophobicContact CE-CG1 3.59Å; M22-V615 HydrophobicContact SD-CB 4.33Å; M22-V615 HydrophobicContact SD-CG1 3.67Å; F25-V615 HydrophobicContact CD1-CG1 3.76Å; F25-V615 HydrophobicContact CD1-CG2 3.89Å; F25-V615 HydrophobicContact CE1-CB 4.37Å; F25-V615 HydrophobicContact CE1-CG1 3.76Å; F25-V615 HydrophobicContact CE1-CG2 3.59Å; F25-V615 HydrophobicContact CG-CG1 4.4Å; F25-V615 HydrophobicContact CZ-CG1 4.37Å; M26-V615 HydrophobicContact SD-CG2 3.82Å; I595-V615 HydrophobicContact CD1-CG2 4.28Å; C611-V615 VanDerWaalsContact O-CG2 3.28Å; C611-V615 WeakPolarHBondContact O-CG2 3.4Å; C611-V615 PolarHBondContact O-N 3.04Å; R612-V615 PolarHBondContact O-N 3.34Å; R612-V615 VanDerWaalsContact O-N 3.09Å; V615-G619 PolarHBondContact O-N 2.93Å; V615-L620 HydrophobicContact CG1-CB 4.13Å; V615-L620 HydrophobicContact CG2-CD1 4.21Å; V615-L620 PolarHBondContact O-N 2.99Å; V615-L620 VanDerWaalsContact O-N 3.14Å |
| 616 | E | 80.1 | Confident | 82 | Confident | 74 Ų | 74 | 43.2 Ų | 43.2 | 35% | 0.346 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.8 | -56.9 | 174 | -86.8 | 155.7 | -159.9 | 0 | 0 | 111.6 | M22 R612 H613 Q614 L618 G619 | M22-E616 HydrophobicContact CE-CB 4.37Å; M22-E616 HydrophobicContact CE-CG 3.57Å; R612-E616 IonicContact NE-OE1 2.81Å; R612-E616 PolarHBondContact NE-OE1 3.47Å; R612-E616 PolarHBondContact O-N 2.76Å; H613-E616 IonicContact CD2-OE2 3.85Å; H613-E616 PolarHBondContact O-N 3.41Å; Q614-E616 VanDerWaalsContact C-N 3.31Å; E616-L618 VanDerWaalsContact C-N 3.28Å; E616-L618 PolarHBondContact O-N 3.49Å; E616-G619 PolarHBondContact O-N 2.92Å |
| 617 | Y | 75.3 | Confident | 81.4 | Confident | 13 Ų | 13 | 43.2 Ų | 43.2 | 5% | 0.051 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -70.1 | -21.6 | -177.6 | 78.4 | -116.5 | 0 | 0 | 0 | 113.9 | E103 F389 Y510 A511 H613 Q614 | E103-Y617 WeakPolarHBondContact CB-OH 3.31Å; E103-Y617 HydrophobicContact CG-CE1 3.66Å; E103-Y617 WeakPolarHBondContact CG-OH 3.46Å; E103-Y617 PolarHBondContact N-OH 3.38Å; E103-Y617 WeakPolarHBondContact OE1-CE1 3.1Å; F389-Y617 HydrophobicContact CB-CD2 4.13Å; F389-Y617 HydrophobicContact CB-CG 4.42Å; Y510-Y617 WeakPolarHBondContact CE2-O 3.37Å; Y510-Y617 PolarHBondContact OH-O 2.79Å; A511-Y617 VanDerWaalsContact CB-CB 3.42Å; H613-Y617 WeakPolarHBondContact O-CD1 3.27Å; H613-Y617 PolarHBondContact O-N 3.44Å; Q614-Y617 VanDerWaalsContact CA-CD1 3.49Å; Q614-Y617 HydrophobicContact CB-CD1 4.36Å; Q614-Y617 HydrophobicContact CB-CE1 3.6Å; Q614-Y617 WeakPolarHBondContact CB-OH 3.41Å; Q614-Y617 HydrophobicContact CG-CD1 4.34Å; Q614-Y617 HydrophobicContact CG-CE1 3.32Å; Q614-Y617 VanDerWaalsContact CG-OH 3.24Å; Q614-Y617 WeakPolarHBondContact CG-OH 3.39Å; Q614-Y617 PolarHBondContact OE1-OH 3.49Å |
| 618 | L | 79.3 | Confident | 80.6 | Confident | 5 Ų | 5 | 43.1 Ų | 43.1 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -8.2 | 173.7 | -74.1 | 171.8 | 0 | 0 | 0 | 112.1 | R593 I595 Q614 E616 L620 | R593-L618 HydrophobicContact CB-CD1 4.26Å; I595-L618 HydrophobicContact CG1-CD1 3.9Å; Q614-L618 VanDerWaalsContact O-CB 3.25Å; Q614-L618 WeakPolarHBondContact O-CB 3.31Å; Q614-L618 WeakPolarHBondContact O-CD1 3.2Å; Q614-L618 WeakPolarHBondContact O-CG 3.41Å; Q614-L618 PolarHBondContact O-N 3.01Å; E616-L618 VanDerWaalsContact C-N 3.28Å; E616-L618 PolarHBondContact O-N 3.49Å; L618-L620 HydrophobicContact CB-CD1 4.27Å; L618-L620 HydrophobicContact CB-CD2 3.88Å; L618-L620 HydrophobicContact CB-CG 3.65Å; L618-L620 HydrophobicContact CD1-CD1 4.17Å; L618-L620 HydrophobicContact CD1-CG 4.44Å; L618-L620 PolarHBondContact O-N 3.36Å |
| 619 | G | 77.4 | Confident | 79.7 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 33.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V615 E616 L621 E622 N623 | V615-G619 PolarHBondContact O-N 2.93Å; E616-G619 PolarHBondContact O-N 2.92Å; G619-L621 VanDerWaalsContact C-N 3.33Å; G619-E622 VanDerWaalsContact C-OE2 3.28Å; G619-E622 WeakPolarHBondContact CA-OE2 3.36Å; G619-N623 WeakPolarHBondContact O-CB 3.27Å; G619-N623 PolarHBondContact O-N 2.95Å |
| 620 | L | 83.7 | Confident | 79 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -69.9 | -35 | -174.9 | -61 | -178.5 | 0 | 0 | 0 | 111.3 | F25 I42 V47 R593 I595 V615 L618 N623 V624 | F25-L620 HydrophobicContact CE1-CD1 4.24Å; F25-L620 HydrophobicContact CE2-CB 4.42Å; F25-L620 HydrophobicContact CZ-CB 3.95Å; F25-L620 HydrophobicContact CZ-CD1 3.98Å; I42-L620 HydrophobicContact CD1-CB 4.03Å; I42-L620 HydrophobicContact CD1-CD2 3.83Å; I42-L620 HydrophobicContact CD1-CG 4.36Å; V47-L620 HydrophobicContact CG1-CD1 4.37Å; V47-L620 HydrophobicContact CG2-CD1 4.14Å; V47-L620 HydrophobicContact CG2-CD2 4.33Å; R593-L620 HydrophobicContact CB-CD2 3.89Å; R593-L620 HydrophobicContact CG-CD2 3.75Å; I595-L620 HydrophobicContact CD1-CD1 3.89Å; V615-L620 HydrophobicContact CG1-CB 4.13Å; V615-L620 HydrophobicContact CG2-CD1 4.21Å; V615-L620 PolarHBondContact O-N 2.99Å; V615-L620 VanDerWaalsContact O-N 3.14Å; L618-L620 HydrophobicContact CB-CD1 4.27Å; L618-L620 HydrophobicContact CB-CD2 3.88Å; L618-L620 HydrophobicContact CB-CG 3.65Å; L618-L620 HydrophobicContact CD1-CD1 4.17Å; L618-L620 HydrophobicContact CD1-CG 4.44Å; L618-L620 PolarHBondContact O-N 3.36Å; L620-N623 PolarHBondContact O-N 3.46Å; L620-V624 WeakPolarHBondContact O-CG2 3.41Å; L620-V624 PolarHBondContact O-N 3.17Å |
| 621 | L | 81.7 | Confident | 78.6 | Confident | 18 Ų | 18 | 35 Ų | 35 | 9% | 0.094 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.5 | -43.8 | 179.2 | -165.5 | 72.2 | 0 | 0 | 0 | 110.6 | V20 G619 N623 V624 R625 | V20-L621 HydrophobicContact CG1-CD1 3.51Å; V20-L621 HydrophobicContact CG1-CG 4.1Å; G619-L621 VanDerWaalsContact C-N 3.33Å; L621-N623 VanDerWaalsContact C-N 3.34Å; L621-V624 PolarHBondContact O-N 3.39Å; L621-R625 WeakPolarHBondContact O-CG 3.41Å; L621-R625 PolarHBondContact O-N 3.33Å |
| 622 | E | 76 | Confident | 77.7 | Confident | 72 Ų | 72 | 35.6 Ų | 35.6 | 34% | 0.336 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -61.6 | -43 | 174.8 | -66.9 | 67.2 | -147.6 | 0 | 0 | 110.5 | G619 V624 R625 V626 | G619-E622 VanDerWaalsContact C-OE2 3.28Å; G619-E622 WeakPolarHBondContact CA-OE2 3.36Å; E622-V624 PolarHBondContact O-N 3.23Å; E622-R625 WeakPolarHBondContact O-CB 3.21Å; E622-R625 PolarHBondContact O-N 3.06Å; E622-R625 VanDerWaalsContact O-N 3.14Å; E622-V626 WeakPolarHBondContact O-CG2 3.07Å; E622-V626 PolarHBondContact O-N 3.3Å |
| 623 | N | 79.5 | Confident | 77.1 | Confident | 7 Ų | 7 | 31.7 Ų | 31.7 | 4% | 0.037 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.8 | -44 | 175.7 | -175.8 | 5.6 | 0 | 0 | 0 | 111.8 | F413 G619 L620 L621 R625 V626 R627 | F413-N623 HydrophobicContact CE1-CB 4.28Å; F413-N623 WeakPolarHBondContact CZ-ND2 3.21Å; G619-N623 WeakPolarHBondContact O-CB 3.27Å; G619-N623 PolarHBondContact O-N 2.95Å; L620-N623 PolarHBondContact O-N 3.46Å; L621-N623 VanDerWaalsContact C-N 3.34Å; N623-R625 VanDerWaalsContact C-N 3.34Å; N623-R625 PolarHBondContact O-N 3.03Å; N623-V626 PolarHBondContact O-N 2.94Å; N623-R627 WeakPolarHBondContact O-CB 3.46Å; N623-R627 WeakPolarHBondContact O-CG 3.29Å; N623-R627 PolarHBondContact O-N 3.41Å; N623-R627 PolarHBondContact OD1-NE 2.89Å |
| 624 | V | 81.3 | Confident | 77 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.9 | -42.5 | 173.3 | 174.5 | 0 | 0 | 0 | 0 | 110.7 | F14 V20 F25 I42 L620 L621 E622 R627 R628 | F14-V624 HydrophobicContact CB-CG2 3.84Å; V20-V624 HydrophobicContact CG1-CB 4.21Å; V20-V624 HydrophobicContact CG1-CG1 3.78Å; V20-V624 HydrophobicContact CG2-CG1 3.87Å; F25-V624 HydrophobicContact CE2-CG2 4.08Å; I42-V624 HydrophobicContact CD1-CG2 4.23Å; I42-V624 HydrophobicContact CG1-CG2 4.21Å; I42-V624 HydrophobicContact CG2-CG2 3.68Å; L620-V624 WeakPolarHBondContact O-CG2 3.41Å; L620-V624 PolarHBondContact O-N 3.17Å; L621-V624 PolarHBondContact O-N 3.39Å; E622-V624 PolarHBondContact O-N 3.23Å; V624-R627 PolarHBondContact O-N 2.85Å; V624-R628 WeakPolarHBondContact O-CB 3.38Å; V624-R628 PolarHBondContact O-N 3Å |
| 625 | R | 78.6 | Confident | 76.7 | Confident | 132 Ų | 132 | 29.9 Ų | 29.9 | 50% | 0.498 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -62.1 | -47.3 | 177.9 | -73.4 | 174.8 | 179.5 | 174.3 | 0.2 | 112 | V20 L621 E622 N623 R627 R628 A629 | V20-R625 HydrophobicContact CG1-CG 3.91Å; L621-R625 WeakPolarHBondContact O-CG 3.41Å; L621-R625 PolarHBondContact O-N 3.33Å; E622-R625 WeakPolarHBondContact O-CB 3.21Å; E622-R625 PolarHBondContact O-N 3.06Å; E622-R625 VanDerWaalsContact O-N 3.14Å; N623-R625 VanDerWaalsContact C-N 3.34Å; N623-R625 PolarHBondContact O-N 3.03Å; R625-R627 PolarHBondContact O-N 3.4Å; R625-R628 PolarHBondContact O-N 3.49Å; R625-A629 VanDerWaalsContact O-CB 3.24Å; R625-A629 WeakPolarHBondContact O-CB 3.31Å; R625-A629 PolarHBondContact O-N 2.92Å |
| 626 | V | 75.2 | Confident | 76.7 | Confident | 17 Ų | 17 | 32.7 Ų | 32.7 | 10% | 0.103 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.3 | -44.8 | 178.5 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | V417 L418 I435 E622 N623 | V417-V626 HydrophobicContact CG1-CG1 4.37Å; L418-V626 HydrophobicContact CD2-CG1 3.63Å; L418-V626 HydrophobicContact CG-CG1 4.25Å; I435-V626 HydrophobicContact CG2-CG2 4.46Å; E622-V626 WeakPolarHBondContact O-CG2 3.07Å; E622-V626 PolarHBondContact O-N 3.3Å; N623-V626 PolarHBondContact O-N 2.94Å |
| 627 | R | 74.4 | Confident | 76.9 | Confident | 23 Ų | 23 | 29.6 Ų | 29.6 | 9% | 0.087 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -69.9 | -35.9 | 177.8 | -71.3 | -168.9 | 179.9 | -117 | -0.6 | 113.2 | V15 I42 N623 V624 R625 | V15-R627 HydrophobicContact CG2-CB 4.12Å; I42-R627 PolarHBondContact O-NE 3.25Å; N623-R627 WeakPolarHBondContact O-CB 3.46Å; N623-R627 WeakPolarHBondContact O-CG 3.29Å; N623-R627 PolarHBondContact O-N 3.41Å; N623-R627 PolarHBondContact OD1-NE 2.89Å; V624-R627 PolarHBondContact O-N 2.85Å; R625-R627 PolarHBondContact O-N 3.4Å |
| 628 | R | 72.4 | Confident | 77.3 | Confident | 56 Ų | 56 | 32 Ų | 32 | 21% | 0.211 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -79.3 | -30.6 | -179 | -174.8 | 175.9 | 173 | 167.3 | -2.6 | 113.4 | L17 D18 V20 V624 R625 G630 | L17-R628 PolarHBondContact O-NH1 2.83Å; D18-R628 PolarHBondContact O-NH1 3.28Å; D18-R628 PolarHBondContact O-NH2 3.02Å; V20-R628 VanDerWaalsContact CG2-CD 3.5Å; V20-R628 VanDerWaalsContact CG2-NH1 3.27Å; V624-R628 WeakPolarHBondContact O-CB 3.38Å; V624-R628 PolarHBondContact O-N 3Å; R625-R628 PolarHBondContact O-N 3.49Å; R628-G630 CarbonylContact O-C 3.55Å; R628-G630 PolarHBondContact O-N 2.91Å; R628-G630 VanDerWaalsContact O-O 3.08Å |
| 629 | A | 65.9 | Low | 77.4 | Confident | 45 Ų | 45 | 36 Ų | 36 | 37% | 0.372 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -61.9 | -22.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I435 R625 | I435-A629 HydrophobicContact CB-CB 4.28Å; I435-A629 HydrophobicContact CD1-CB 3.75Å; I435-A629 HydrophobicContact CG1-CB 3.65Å; I435-A629 HydrophobicContact CG2-CB 3.71Å; R625-A629 VanDerWaalsContact O-CB 3.24Å; R625-A629 WeakPolarHBondContact O-CB 3.31Å; R625-A629 PolarHBondContact O-N 2.92Å |
| 630 | G | 69.9 | Low | 77.6 | Confident | 9 Ų | 9 | 35.9 Ų | 35.9 | 9% | 0.093 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -76.1 | -132.8 | 161.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y425 R628 | Y425-G630 WeakPolarHBondContact OH-CA 3.5Å; R628-G630 CarbonylContact O-C 3.55Å; R628-G630 PolarHBondContact O-N 2.91Å; R628-G630 VanDerWaalsContact O-O 3.08Å |
| 631 | F | 74.1 | Confident | 77.7 | Confident | 40 Ų | 40 | 36.3 Ų | 36.3 | 18% | 0.175 | 18% | 0.177 | C | C | . | . | trans | -107.9 | 122.8 | 174 | -67.1 | -89 | 0 | 0 | 0 | 109.2 | Y425 I430 Y633 A678 F685 I686 R687 | Y425-F631 HydrophobicContact CE1-CD2 4.21Å; Y425-F631 HydrophobicContact CE2-CD2 4.06Å; Y425-F631 HydrophobicContact CE2-CE2 4.24Å; Y425-F631 AromaticContact CZ-CD2 3.67Å; Y425-F631 WeakPolarHBondContact OH-CD2 3.44Å; Y425-F631 PolarHBondContact OH-N 2.86Å; I430-F631 HydrophobicContact CG2-CD2 4.42Å; I430-F631 HydrophobicContact CG2-CE2 3.46Å; I430-F631 VanDerWaalsContact CG2-CE2 3.46Å; I430-F631 HydrophobicContact CG2-CZ 3.97Å; F631-Y633 PolarHBondContact O-N 3.12Å; F631-A678 HydrophobicContact CD1-CB 4.35Å; F631-A678 HydrophobicContact CE1-CB 3.36Å; F631-A678 HydrophobicContact CE2-CB 4.14Å; F631-A678 HydrophobicContact CZ-CB 3.24Å; F631-F685 HydrophobicContact CB-CB 3.88Å; F631-F685 HydrophobicContact CB-CD1 3.92Å; F631-F685 HydrophobicContact CB-CG 4.42Å; F631-F685 HydrophobicContact CD1-CB 3.64Å; F631-F685 HydrophobicContact CD2-CB 3.96Å; F631-F685 HydrophobicContact CD2-CD1 4Å; F631-F685 HydrophobicContact CD2-CG 4.33Å; F631-F685 HydrophobicContact CE1-CB 4.16Å; F631-F685 HydrophobicContact CE2-CB 4.48Å; F631-F685 HydrophobicContact CG-CB 3.55Å; F631-F685 HydrophobicContact CG-CD1 4.07Å; F631-F685 HydrophobicContact CG-CG 4.27Å; F631-I686 CarbonylContact C-O 3.59Å; F631-R687 HydrophobicContact CD1-CB 3.85Å; F631-R687 HydrophobicContact CE1-CB 4.11Å | ||
| 632 | A | 68.4 | Low | 77.7 | Confident | 13 Ų | 13 | 42.1 Ų | 42.1 | 11% | 0.107 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -61.9 | -27.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | V15 I686 R687 P689 | V15-A632 HydrophobicContact CG1-CB 3.84Å; V15-A632 WeakPolarHBondContact CG1-O 3.3Å; A632-I686 PolarHBondContact N-O 2.94Å; A632-R687 VanDerWaalsContact CB-O 3.27Å; A632-R687 WeakPolarHBondContact CB-O 3.35Å; A632-R687 PolarHBondContact N-O 2.81Å; A632-P689 HydrophobicContact CB-CG 3.84Å |
| 633 | Y | 73.8 | Confident | 77.9 | Confident | 24 Ų | 24 | 41 Ų | 41 | 9% | 0.094 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 140.7 | -178.6 | -173.3 | -97.3 | 0 | 0 | 0 | 112.1 | E3 F631 Q635 F685 I686 L692 | E3-Y633 WeakPolarHBondContact OE1-CE2 3.07Å; E3-Y633 PolarHBondContact OE1-OH 3.27Å; F631-Y633 PolarHBondContact O-N 3.12Å; Y633-Q635 HydrophobicContact CE1-CB 3.76Å; Y633-Q635 PolarHBondContact OH-NE2 3.33Å; Y633-Q635 PolarHBondContact OH-OE1 3.34Å; Y633-F685 CarbonylContact O-C 3.45Å; Y633-F685 WeakPolarHBondContact O-CA 3.3Å; Y633-I686 HydrophobicContact CD1-CD1 4.08Å; Y633-I686 PolarHBondContact N-O 3.35Å; Y633-I686 PolarHBondContact O-N 3.19Å; Y633-L692 HydrophobicContact CD1-CD1 3.86Å; Y633-L692 HydrophobicContact CD2-CD1 4.31Å; Y633-L692 HydrophobicContact CD2-CD2 3.7Å; Y633-L692 HydrophobicContact CE1-CD1 3.85Å; Y633-L692 HydrophobicContact CE2-CD1 4.29Å; Y633-L692 HydrophobicContact CE2-CD2 4Å; Y633-L692 HydrophobicContact CG-CD1 4.07Å; Y633-L692 HydrophobicContact CG-CD2 4.01Å |
| 634 | R | 79.1 | Confident | 78 | Confident | 57 Ų | 57 | 40.6 Ų | 40.6 | 22% | 0.215 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 134.5 | 177.6 | 63.1 | -173.3 | -178.1 | -159.9 | -1.8 | 111.8 | E44 E421 V684 F685 | E44-R634 IonicContact OE1-NH2 3.47Å; E44-R634 PolarHBondContact OE1-NH2 2.79Å; E44-R634 VanDerWaalsContact OE1-NH2 3.17Å; E421-R634 IonicContact OE1-CZ 3.98Å; E421-R634 IonicContact OE1-NH1 3.57Å; E421-R634 PolarHBondContact OE1-NH1 3.26Å; E421-R634 IonicContact OE1-NH2 2.7Å; E421-R634 PolarHBondContact OE1-NH2 2.86Å; E421-R634 IonicContact OE2-NH1 3.35Å; E421-R634 PolarHBondContact OE2-NH1 2.82Å; R634-V684 WeakPolarHBondContact CA-O 3.35Å; R634-F685 HydrophobicContact CB-CD1 3.87Å; R634-F685 HydrophobicContact CB-CE1 3.89Å; R634-F685 HydrophobicContact CB-CG 4.45Å; R634-F685 HydrophobicContact CB-CZ 4.47Å |
| 635 | Q | 79.5 | Confident | 78.1 | Confident | 21 Ų | 21 | 43.1 Ų | 43.1 | 10% | 0.098 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 149.7 | 178.9 | -167.6 | 166.5 | 54.3 | 0 | 0 | 111.9 | Y633 R639 F640 K683 V684 | Y633-Q635 HydrophobicContact CE1-CB 3.76Å; Y633-Q635 PolarHBondContact OH-NE2 3.33Å; Y633-Q635 PolarHBondContact OH-OE1 3.34Å; Q635-R639 HydrophobicContact CG-CB 4.11Å; Q635-R639 HydrophobicContact CG-CG 4.18Å; Q635-F640 HydrophobicContact CB-CB 4.46Å; Q635-F640 HydrophobicContact CB-CD2 4.35Å; Q635-F640 HydrophobicContact CG-CB 4.3Å; Q635-F640 VanDerWaalsContact OE1-CA 3.31Å; Q635-K683 CarbonylContact O-C 3.45Å; Q635-K683 VanDerWaalsContact O-CA 3.22Å; Q635-K683 WeakPolarHBondContact O-CA 3.2Å; Q635-K683 WeakPolarHBondContact O-CB 3.18Å; Q635-V684 PolarHBondContact N-O 2.69Å; Q635-V684 VanDerWaalsContact N-O 3.1Å; Q635-V684 PolarHBondContact O-N 2.71Å |
| 636 | T | 84.8 | Confident | 78.3 | Confident | 58 Ų | 58 | 38.8 Ų | 38.8 | 36% | 0.356 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 144.1 | 174.4 | 53.2 | 0 | 0 | 0 | 0 | 111.1 | R639 F640 K683 | T636-R639 PolarHBondContact O-N 3.42Å; T636-R639 WeakPolarHBondContact OG1-CB 3.33Å; T636-F640 PolarHBondContact O-N 3.2Å; T636-K683 HydrophobicContact CG2-CG 3.93Å |
| 637 | Y | 85.3 | Confident | 78.7 | Confident | 10 Ų | 10 | 39.2 Ų | 39.2 | 4% | 0.039 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -54 | -47.4 | -176.7 | -65.4 | -67.3 | 0 | 0 | 0 | 114.4 | R639 F640 L641 K661 V664 Y679 G680 T682 K683 V684 | Y637-R639 VanDerWaalsContact C-N 3.28Å; Y637-R639 PolarHBondContact O-N 3.43Å; Y637-F640 PolarHBondContact O-N 3.29Å; Y637-L641 WeakPolarHBondContact O-CB 3.34Å; Y637-L641 PolarHBondContact O-N 3.41Å; Y637-K661 HydrophobicContact CD1-CB 4.3Å; Y637-K661 HydrophobicContact CD2-CB 4.11Å; Y637-K661 HydrophobicContact CE1-CB 4.18Å; Y637-K661 HydrophobicContact CE1-CG 3.93Å; Y637-K661 HydrophobicContact CE2-CB 3.98Å; Y637-K661 HydrophobicContact CE2-CD 4Å; Y637-K661 HydrophobicContact CE2-CG 3.98Å; Y637-K661 HydrophobicContact CG-CB 4.27Å; Y637-V664 HydrophobicContact CD1-CB 3.92Å; Y637-V664 HydrophobicContact CD1-CG1 4.1Å; Y637-V664 HydrophobicContact CD1-CG2 3.99Å; Y637-V664 HydrophobicContact CE1-CB 4.42Å; Y637-V664 HydrophobicContact CE1-CG1 4.34Å; Y637-Y679 HydrophobicContact CE1-CD1 4.42Å; Y637-Y679 WeakPolarHBondContact OH-CA 3.26Å; Y637-G680 PolarHBondContact OH-N 3.48Å; Y637-G680 PolarHBondContact OH-O 2.91Å; Y637-T682 VanDerWaalsContact CD2-C 3.43Å; Y637-T682 WeakPolarHBondContact CD2-O 3.12Å; Y637-T682 VanDerWaalsContact CE2-C 3.45Å; Y637-T682 PolarHBondContact N-O 3.42Å; Y637-K683 PolarHBondContact OH-O 2.92Å; Y637-V684 HydrophobicContact CD1-CB 4.24Å; Y637-V684 HydrophobicContact CE1-CB 3.87Å |
| 638 | P | 83.3 | Confident | 78.9 | Confident | 64 Ų | 64 | 38.8 Ų | 38.8 | 42% | 0.416 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62 | -38.4 | -177.9 | -20.4 | 30.7 | 0 | 0 | 0 | 112.4 | Q642 D660 | P638-Q642 WeakPolarHBondContact O-CB 3.46Å; P638-Q642 WeakPolarHBondContact O-CG 3.36Å; P638-Q642 PolarHBondContact O-N 3.06Å; P638-D660 WeakPolarHBondContact CG-OD2 3.32Å |
| 639 | R | 80.3 | Confident | 78.9 | Confident | 87 Ų | 87 | 44.6 Ų | 44.6 | 33% | 0.328 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -72.8 | -41.8 | -178.6 | -171.8 | -177.9 | -179.5 | 149.2 | 18.5 | 111.6 | E73 Q635 T636 Y637 L641 R643 | E73-R639 IonicContact OE1-CZ 3.43Å; E73-R639 IonicContact OE1-NH1 2.83Å; E73-R639 IonicContact OE1-NH2 3.12Å; E73-R639 PolarHBondContact OE1-NH2 3.43Å; Q635-R639 HydrophobicContact CG-CB 4.11Å; Q635-R639 HydrophobicContact CG-CG 4.18Å; T636-R639 PolarHBondContact O-N 3.42Å; T636-R639 WeakPolarHBondContact OG1-CB 3.33Å; Y637-R639 VanDerWaalsContact C-N 3.28Å; Y637-R639 PolarHBondContact O-N 3.43Å; R639-L641 VanDerWaalsContact C-N 3.31Å; R639-R643 WeakPolarHBondContact O-CB 3.43Å; R639-R643 PolarHBondContact O-N 3.44Å |
| 640 | F | 82.9 | Confident | 79.2 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.5 | -45.8 | 174.8 | -170.7 | -88.5 | 0 | 0 | 0 | 110.3 | Q635 T636 Y637 R643 Y644 V664 L667 L668 V684 I686 L695 | Q635-F640 HydrophobicContact CB-CB 4.46Å; Q635-F640 HydrophobicContact CB-CD2 4.35Å; Q635-F640 HydrophobicContact CG-CB 4.3Å; Q635-F640 VanDerWaalsContact OE1-CA 3.31Å; T636-F640 PolarHBondContact O-N 3.2Å; Y637-F640 PolarHBondContact O-N 3.29Å; F640-R643 PolarHBondContact O-N 3.13Å; F640-Y644 AromaticContact CD1-CD2 3.81Å; F640-Y644 HydrophobicContact CD1-CD2 3.81Å; F640-Y644 AromaticContact CD2-CD2 3.63Å; F640-Y644 HydrophobicContact CD2-CD2 3.63Å; F640-Y644 AromaticContact CD2-CE2 3.54Å; F640-Y644 HydrophobicContact CD2-CE2 3.54Å; F640-Y644 AromaticContact CE1-CD2 3.68Å; F640-Y644 HydrophobicContact CE1-CD2 3.68Å; F640-Y644 HydrophobicContact CE1-CE2 4.39Å; F640-Y644 HydrophobicContact CE1-CG 4.36Å; F640-Y644 AromaticContact CE2-CD2 3.49Å; F640-Y644 HydrophobicContact CE2-CD2 3.49Å; F640-Y644 VanDerWaalsContact CE2-CD2 3.49Å; F640-Y644 AromaticContact CE2-CE2 3.33Å; F640-Y644 HydrophobicContact CE2-CE2 3.33Å; F640-Y644 AromaticContact CG-CD2 3.79Å; F640-Y644 HydrophobicContact CG-CD2 3.79Å; F640-Y644 HydrophobicContact CG-CE2 4.17Å; F640-Y644 AromaticContact CZ-CD2 3.52Å; F640-Y644 HydrophobicContact CZ-CD2 3.52Å; F640-Y644 AromaticContact CZ-CE2 3.81Å; F640-Y644 HydrophobicContact CZ-CE2 3.81Å; F640-Y644 HydrophobicContact CZ-CG 4.33Å; F640-Y644 WeakPolarHBondContact O-CD2 3.46Å; F640-Y644 PolarHBondContact O-N 2.84Å; F640-V664 HydrophobicContact CB-CG2 4.49Å; F640-V664 HydrophobicContact CD1-CB 4.3Å; F640-V664 HydrophobicContact CD1-CG1 3.58Å; F640-V664 HydrophobicContact CD1-CG2 3.77Å; F640-V664 HydrophobicContact CE1-CG1 3.75Å; F640-V664 HydrophobicContact CG-CG1 4.44Å; F640-L667 HydrophobicContact CE1-CD2 4.41Å; F640-L668 HydrophobicContact CE1-CD1 4.45Å; F640-L668 HydrophobicContact CE1-CD2 4.44Å; F640-L668 HydrophobicContact CE1-CG 4.44Å; F640-L668 HydrophobicContact CZ-CD2 4.16Å; F640-V684 HydrophobicContact CB-CG1 4.12Å; F640-V684 HydrophobicContact CD1-CG1 4.34Å; F640-V684 HydrophobicContact CD2-CG1 3.6Å; F640-V684 HydrophobicContact CE2-CG1 4.07Å; F640-V684 HydrophobicContact CG-CG1 3.75Å; F640-I686 HydrophobicContact CE2-CD1 3.87Å; F640-I686 HydrophobicContact CZ-CD1 4.26Å; F640-L695 HydrophobicContact CZ-CD1 3.98Å |
| 641 | L | 84.4 | Confident | 79.5 | Confident | 9 Ų | 9 | 50.1 Ų | 50.1 | 5% | 0.047 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.3 | -47.7 | 180 | -164.6 | 71.5 | 0 | 0 | 0 | 112.3 | Y637 R639 R643 Y644 K645 T651 H655 A663 V664 | Y637-L641 WeakPolarHBondContact O-CB 3.34Å; Y637-L641 PolarHBondContact O-N 3.41Å; R639-L641 VanDerWaalsContact C-N 3.31Å; L641-R643 PolarHBondContact O-N 3.35Å; L641-R643 VanDerWaalsContact O-N 3.11Å; L641-Y644 PolarHBondContact O-N 3.49Å; L641-K645 WeakPolarHBondContact O-CA 3.43Å; L641-K645 WeakPolarHBondContact O-CB 3.49Å; L641-K645 WeakPolarHBondContact O-CG 3.3Å; L641-K645 PolarHBondContact O-N 3.14Å; L641-T651 HydrophobicContact CD1-CG2 4.13Å; L641-H655 WeakPolarHBondContact CD2-CD2 3.34Å; L641-H655 VanDerWaalsContact CD2-NE2 3.26Å; L641-H655 WeakPolarHBondContact CD2-NE2 3.45Å; L641-A663 HydrophobicContact CD1-CB 3.71Å; L641-A663 HydrophobicContact CD2-CB 3.89Å; L641-A663 HydrophobicContact CG-CB 4.49Å; L641-V664 HydrophobicContact CB-CG2 4.07Å; L641-V664 HydrophobicContact CD1-CG2 3.98Å |
| 642 | Q | 82.8 | Confident | 79.5 | Confident | 141 Ų | 141 | 53.3 Ų | 53.3 | 66% | 0.659 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -54.5 | -34.1 | 176.1 | -80 | -177.5 | -0.1 | 0 | 0 | 112.9 | P638 | P638-Q642 WeakPolarHBondContact O-CB 3.46Å; P638-Q642 WeakPolarHBondContact O-CG 3.36Å; P638-Q642 PolarHBondContact O-N 3.06Å |
| 643 | R | 79.1 | Confident | 79.7 | Confident | 47 Ų | 47 | 56.4 Ų | 56.4 | 18% | 0.177 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -78 | -46.2 | -179.3 | -174.6 | 172.5 | -176.4 | 81.9 | -6.2 | 112.7 | E3 R639 F640 L641 E696 | E3-R643 IonicContact OE2-CZ 2.64Å; E3-R643 IonicContact OE2-NE 3.66Å; E3-R643 IonicContact OE2-NH2 3.39Å; E3-R643 PolarHBondContact OE2-NH2 3.41Å; R639-R643 WeakPolarHBondContact O-CB 3.43Å; R639-R643 PolarHBondContact O-N 3.44Å; F640-R643 PolarHBondContact O-N 3.13Å; L641-R643 PolarHBondContact O-N 3.35Å; L641-R643 VanDerWaalsContact O-N 3.11Å; R643-E696 IonicContact CZ-OE1 3.6Å; R643-E696 IonicContact NE-OE1 3.43Å; R643-E696 PolarHBondContact NE-OE1 3Å; R643-E696 IonicContact NH2-OE1 3.83Å; R643-E696 PolarHBondContact NH2-OE1 3.41Å; R643-E696 IonicContact NH2-OE2 2.61Å |
| 644 | Y | 82.3 | Confident | 79.7 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -103.5 | -4.3 | -169.3 | -61 | -66 | 0 | 0 | 0 | 114.5 | F640 L641 M646 I647 L667 L692 L695 E696 | F640-Y644 AromaticContact CD1-CD2 3.81Å; F640-Y644 HydrophobicContact CD1-CD2 3.81Å; F640-Y644 AromaticContact CD2-CD2 3.63Å; F640-Y644 HydrophobicContact CD2-CD2 3.63Å; F640-Y644 AromaticContact CD2-CE2 3.54Å; F640-Y644 HydrophobicContact CD2-CE2 3.54Å; F640-Y644 AromaticContact CE1-CD2 3.68Å; F640-Y644 HydrophobicContact CE1-CD2 3.68Å; F640-Y644 HydrophobicContact CE1-CE2 4.39Å; F640-Y644 HydrophobicContact CE1-CG 4.36Å; F640-Y644 AromaticContact CE2-CD2 3.49Å; F640-Y644 HydrophobicContact CE2-CD2 3.49Å; F640-Y644 VanDerWaalsContact CE2-CD2 3.49Å; F640-Y644 AromaticContact CE2-CE2 3.33Å; F640-Y644 HydrophobicContact CE2-CE2 3.33Å; F640-Y644 AromaticContact CG-CD2 3.79Å; F640-Y644 HydrophobicContact CG-CD2 3.79Å; F640-Y644 HydrophobicContact CG-CE2 4.17Å; F640-Y644 AromaticContact CZ-CD2 3.52Å; F640-Y644 HydrophobicContact CZ-CD2 3.52Å; F640-Y644 AromaticContact CZ-CE2 3.81Å; F640-Y644 HydrophobicContact CZ-CE2 3.81Å; F640-Y644 HydrophobicContact CZ-CG 4.33Å; F640-Y644 WeakPolarHBondContact O-CD2 3.46Å; F640-Y644 PolarHBondContact O-N 2.84Å; L641-Y644 PolarHBondContact O-N 3.49Å; Y644-M646 PolarHBondContact O-N 3.2Å; Y644-I647 HydrophobicContact CD1-CD1 3.77Å; Y644-I647 HydrophobicContact CG-CD1 4.35Å; Y644-I647 WeakPolarHBondContact O-CB 3.4Å; Y644-I647 WeakPolarHBondContact O-CG1 3.28Å; Y644-I647 PolarHBondContact O-N 3.35Å; Y644-L667 WeakPolarHBondContact O-CD1 3.5Å; Y644-L692 WeakPolarHBondContact OH-CD1 3.26Å; Y644-L695 HydrophobicContact CD1-CB 4.22Å; Y644-L695 HydrophobicContact CE1-CB 3.98Å; Y644-E696 HydrophobicContact CE1-CG 4.36Å; Y644-E696 WeakPolarHBondContact CE1-OE1 3.43Å; Y644-E696 PolarHBondContact OH-OE1 2.9Å |
| 645 | K | 83.5 | Confident | 79.4 | Confident | 52 Ų | 52 | 60.9 Ų | 60.9 | 23% | 0.226 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -20.2 | -178.9 | 62.1 | 173.6 | -169.7 | 171.7 | 0 | 115.6 | L641 I647 T651 W652 P653 | L641-K645 WeakPolarHBondContact O-CA 3.43Å; L641-K645 WeakPolarHBondContact O-CB 3.49Å; L641-K645 WeakPolarHBondContact O-CG 3.3Å; L641-K645 PolarHBondContact O-N 3.14Å; K645-I647 VanDerWaalsContact C-N 3.28Å; K645-T651 WeakPolarHBondContact CA-OG1 3.4Å; K645-T651 PolarHBondContact O-OG1 2.82Å; K645-W652 HydrophobicContact CD-CE3 4.28Å; K645-W652 HydrophobicContact CD-CZ3 4.31Å; K645-W652 HydrophobicContact CG-CE3 3.98Å; K645-W652 HydrophobicContact CG-CZ3 4.11Å; K645-P653 PolarHBondContact NZ-O 2.87Å |
| 646 | M | 82.3 | Confident | 79 | Confident | 42 Ų | 42 | 68.1 Ų | 68.1 | 21% | 0.207 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -19.6 | 177.7 | -64.9 | 170.7 | -143.2 | 0 | 0 | 113.5 | Y644 W652 M702 V703 I706 | Y644-M646 PolarHBondContact O-N 3.2Å; M646-W652 HydrophobicContact CB-CE3 4.15Å; M646-W652 HydrophobicContact CB-CZ3 4.2Å; M646-W652 HydrophobicContact CE-CZ3 4.18Å; M646-W652 HydrophobicContact CG-CD2 4.49Å; M646-W652 HydrophobicContact CG-CE3 3.54Å; M646-W652 HydrophobicContact CG-CH2 3.76Å; M646-W652 HydrophobicContact CG-CZ3 3.12Å; M646-W652 HydrophobicContact SD-CH2 4.47Å; M646-W652 HydrophobicContact SD-CZ3 4.24Å; M646-M702 WeakPolarHBondContact O-CE 3.34Å; M646-V703 HydrophobicContact SD-CG2 4.32Å; M646-I706 HydrophobicContact CB-CD1 4.34Å; M646-I706 HydrophobicContact CG-CD1 4.03Å; M646-I706 HydrophobicContact SD-CD1 3.95Å |
| 647 | I | 83.3 | Confident | 78.6 | Confident | 25 Ų | 25 | 67.2 Ų | 67.2 | 13% | 0.128 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -41.5 | -174.1 | -62.5 | 176.9 | 0 | 0 | 0 | 110.6 | Y644 K645 L695 Q698 R699 | Y644-I647 HydrophobicContact CD1-CD1 3.77Å; Y644-I647 HydrophobicContact CG-CD1 4.35Å; Y644-I647 WeakPolarHBondContact O-CB 3.4Å; Y644-I647 WeakPolarHBondContact O-CG1 3.28Å; Y644-I647 PolarHBondContact O-N 3.35Å; K645-I647 VanDerWaalsContact C-N 3.28Å; I647-L695 HydrophobicContact CD1-CB 4.32Å; I647-L695 HydrophobicContact CD1-CD2 3.99Å; I647-L695 VanDerWaalsContact CD1-O 3.28Å; I647-L695 WeakPolarHBondContact CD1-O 3.26Å; I647-Q698 HydrophobicContact CD1-CB 4.36Å; I647-Q698 HydrophobicContact CG1-CB 4.47Å; I647-Q698 HydrophobicContact CG2-CB 4.26Å; I647-Q698 VanDerWaalsContact CG2-OE1 3.28Å; I647-R699 HydrophobicContact CD1-CB 4.23Å; I647-R699 HydrophobicContact CG1-CB 4.28Å |
| 648 | S | 78.8 | Confident | 78.1 | Confident | 15 Ų | 15 | 72.6 Ų | 72.6 | 11% | 0.105 | 36% | 0.362 | C | S | . | . | trans | -104.7 | 132.9 | -178.2 | 178.5 | 0 | 0 | 0 | 0 | 111.2 | F650 T651 W652 | S648-F650 PolarHBondContact O-N 2.97Å; S648-F650 PolarHBondContact OG-N 3Å; S648-T651 WeakPolarHBondContact CB-OG1 3.41Å; S648-T651 PolarHBondContact O-N 3.4Å; S648-T651 PolarHBondContact O-OG1 3.07Å; S648-T651 VanDerWaalsContact O-OG1 3.05Å; S648-W652 PolarHBondContact O-N 3.24Å | ||
| 649 | E | 73.6 | Confident | 77.9 | Confident | 177 Ų | 177 | 72.1 Ų | 72.1 | 83% | 0.827 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -27.5 | 174.7 | -63 | -174.5 | 164.4 | 0 | 0 | 112 | ||
| 650 | F | 72.4 | Confident | 77.9 | Confident | 169 Ų | 169 | 70.5 Ų | 70.5 | 74% | 0.741 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -24 | 179.2 | -62.7 | -77.9 | 0 | 0 | 0 | 113.9 | S648 | S648-F650 PolarHBondContact O-N 2.97Å; S648-F650 PolarHBondContact OG-N 3Å |
| 651 | T | 75.4 | Confident | 78 | Confident | 1 Ų | 1 | 73.7 Ų | 73.7 | 1% | 0.006 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -9.9 | -180 | 50.8 | 0 | 0 | 0 | 0 | 112.7 | L641 K645 S648 L667 | L641-T651 HydrophobicContact CD1-CG2 4.13Å; K645-T651 WeakPolarHBondContact CA-OG1 3.4Å; K645-T651 PolarHBondContact O-OG1 2.82Å; S648-T651 WeakPolarHBondContact CB-OG1 3.41Å; S648-T651 PolarHBondContact O-N 3.4Å; S648-T651 PolarHBondContact O-OG1 3.07Å; S648-T651 VanDerWaalsContact O-OG1 3.05Å; T651-L667 HydrophobicContact CG2-CB 4.3Å; T651-L667 HydrophobicContact CG2-CD1 4.44Å |
| 652 | W | 75.1 | Confident | 78 | Confident | 108 Ų | 108 | 76.6 Ų | 76.6 | 41% | 0.409 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -101.1 | 133.7 | -176.8 | -173.5 | -101.8 | 0 | 0 | 0 | 111.8 | K645 M646 S648 I706 | K645-W652 HydrophobicContact CD-CE3 4.28Å; K645-W652 HydrophobicContact CD-CZ3 4.31Å; K645-W652 HydrophobicContact CG-CE3 3.98Å; K645-W652 HydrophobicContact CG-CZ3 4.11Å; M646-W652 HydrophobicContact CB-CE3 4.15Å; M646-W652 HydrophobicContact CB-CZ3 4.2Å; M646-W652 HydrophobicContact CE-CZ3 4.18Å; M646-W652 HydrophobicContact CG-CD2 4.49Å; M646-W652 HydrophobicContact CG-CE3 3.54Å; M646-W652 HydrophobicContact CG-CH2 3.76Å; M646-W652 HydrophobicContact CG-CZ3 3.12Å; M646-W652 HydrophobicContact SD-CH2 4.47Å; M646-W652 HydrophobicContact SD-CZ3 4.24Å; S648-W652 PolarHBondContact O-N 3.24Å; W652-I706 HydrophobicContact CH2-CD1 4.3Å; W652-I706 HydrophobicContact CZ2-CD1 4.23Å |
| 653 | P | 70.8 | Confident | 78 | Confident | 78 Ų | 78 | 69.9 Ų | 69.9 | 51% | 0.506 | 36% | 0.356 | S | S | . | . | S | Bend | cis | -84.4 | -25.5 | -5.6 | -10.6 | 28.8 | 0 | 0 | 0 | 114.2 | K645 | K645-P653 PolarHBondContact NZ-O 2.87Š|
| 654 | N | 74.9 | Confident | 78.3 | Confident | 126 Ų | 126 | 67.6 Ų | 67.6 | 67% | 0.674 | 35% | 0.348 | S | S | * | . | trans | -134.3 | 149.3 | 175.9 | -65.9 | -26.3 | 0 | 0 | 0 | 107.5 | ||||
| 655 | H | 72.1 | Confident | 78.5 | Confident | 49 Ų | 49 | 71.6 Ų | 71.6 | 23% | 0.227 | 37% | 0.365 | C | S | . | . | trans | -95.4 | 144.1 | 178.2 | 57.4 | 92.9 | 0 | 0 | 0 | 111.1 | L641 L657 D660 A663 | L641-H655 WeakPolarHBondContact CD2-CD2 3.34Å; L641-H655 VanDerWaalsContact CD2-NE2 3.26Å; L641-H655 WeakPolarHBondContact CD2-NE2 3.45Å; H655-L657 VanDerWaalsContact C-N 3.26Å; H655-L657 HydrophobicContact CB-CB 4.48Å; H655-L657 PolarHBondContact ND1-O 3.33Å; H655-D660 IonicContact CE1-OD1 2.71Å; H655-D660 PolarHBondContact CE1-OD1 3.17Å; H655-D660 IonicContact NE2-OD1 2.77Å; H655-A663 HydrophobicContact CB-CB 4.25Å | ||
| 656 | D | 70.9 | Confident | 78.5 | Confident | 172 Ų | 172 | 74.6 Ų | 74.6 | 92% | 0.92 | 38% | 0.378 | S | S | * | . | trans | -89.5 | 10.4 | 172.7 | -62 | -34.9 | 0 | 0 | 0 | 112.5 | ||||
| 657 | L | 76.2 | Confident | 78.6 | Confident | 40 Ų | 40 | 72.6 Ų | 72.6 | 21% | 0.209 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -80.5 | 149.8 | -176.4 | -72.8 | 160.2 | 0 | 0 | 0 | 112.5 | H655 S659 A663 K666 | H655-L657 VanDerWaalsContact C-N 3.26Å; H655-L657 HydrophobicContact CB-CB 4.48Å; H655-L657 PolarHBondContact ND1-O 3.33Å; L657-S659 VanDerWaalsContact C-N 3.29Å; L657-S659 PolarHBondContact O-N 3.02Å; L657-A663 HydrophobicContact CD1-CB 3.95Å; L657-K666 HydrophobicContact CD1-CB 4.49Å; L657-K666 HydrophobicContact CD1-CD 3.76Å; L657-K666 HydrophobicContact CD2-CD 4.09Å |
| 658 | P | 74.9 | Confident | 78.7 | Confident | 122 Ų | 122 | 71.4 Ų | 71.4 | 79% | 0.792 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -66.6 | -25.6 | -174.2 | -17.3 | 30.3 | 0 | 0 | 0 | 114.4 | ||
| 659 | S | 80.6 | Confident | 78.9 | Confident | 55 Ų | 55 | 74.8 Ų | 74.8 | 39% | 0.385 | 38% | 0.377 | S | S | . | . | trans | -142.7 | 143.7 | -178 | -171.8 | 0 | 0 | 0 | 0 | 111.9 | L657 K661 D662 A663 | L657-S659 VanDerWaalsContact C-N 3.29Å; L657-S659 PolarHBondContact O-N 3.02Å; S659-K661 PolarHBondContact O-N 3.31Å; S659-K661 PolarHBondContact OG-N 3.03Å; S659-D662 PolarHBondContact O-N 2.91Å; S659-A663 PolarHBondContact O-N 2.92Å | ||
| 660 | D | 80.2 | Confident | 79.1 | Confident | 53 Ų | 53 | 69.3 Ų | 69.3 | 28% | 0.283 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -55.8 | -31.2 | 172.4 | -66.9 | 9.6 | 0 | 0 | 0 | 112 | P638 H655 A663 V664 | P638-D660 WeakPolarHBondContact CG-OD2 3.32Å; H655-D660 IonicContact CE1-OD1 2.71Å; H655-D660 PolarHBondContact CE1-OD1 3.17Å; H655-D660 IonicContact NE2-OD1 2.77Å; D660-A663 PolarHBondContact O-N 3.03Å; D660-V664 WeakPolarHBondContact O-CG2 3.3Å; D660-V664 PolarHBondContact O-N 3.15Å |
| 661 | K | 84.4 | Confident | 79.4 | Confident | 67 Ų | 67 | 62.2 Ų | 62.2 | 29% | 0.291 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.1 | -44.6 | 175.8 | 176.5 | 169.8 | 178.8 | 165.2 | 0 | 111.7 | Y637 S659 A663 V664 K665 G680 | Y637-K661 HydrophobicContact CD1-CB 4.3Å; Y637-K661 HydrophobicContact CD2-CB 4.11Å; Y637-K661 HydrophobicContact CE1-CB 4.18Å; Y637-K661 HydrophobicContact CE1-CG 3.93Å; Y637-K661 HydrophobicContact CE2-CB 3.98Å; Y637-K661 HydrophobicContact CE2-CD 4Å; Y637-K661 HydrophobicContact CE2-CG 3.98Å; Y637-K661 HydrophobicContact CG-CB 4.27Å; S659-K661 PolarHBondContact O-N 3.31Å; S659-K661 PolarHBondContact OG-N 3.03Å; K661-A663 VanDerWaalsContact C-N 3.34Å; K661-V664 PolarHBondContact O-N 2.98Å; K661-K665 WeakPolarHBondContact O-CB 3.45Å; K661-K665 PolarHBondContact O-N 3.39Å; K661-G680 PolarHBondContact NZ-O 3.49Å |
| 662 | D | 83.8 | Confident | 79.6 | Confident | 69 Ų | 69 | 71 Ų | 71 | 37% | 0.369 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -70.6 | -34.8 | -179.8 | -63 | -38.6 | 0 | 0 | 0 | 111.4 | S659 K665 K666 | S659-D662 PolarHBondContact O-N 2.91Å; D662-K665 PolarHBondContact O-N 2.91Å; D662-K666 PolarHBondContact O-N 3.21Å |
| 663 | A | 83.6 | Confident | 79.8 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L641 H655 L657 S659 D660 K661 K666 L667 | L641-A663 HydrophobicContact CD1-CB 3.71Å; L641-A663 HydrophobicContact CD2-CB 3.89Å; L641-A663 HydrophobicContact CG-CB 4.49Å; H655-A663 HydrophobicContact CB-CB 4.25Å; L657-A663 HydrophobicContact CD1-CB 3.95Å; S659-A663 PolarHBondContact O-N 2.92Å; D660-A663 PolarHBondContact O-N 3.03Å; K661-A663 VanDerWaalsContact C-N 3.34Å; A663-K666 PolarHBondContact O-N 3.44Å; A663-L667 WeakPolarHBondContact O-CB 3.39Å; A663-L667 PolarHBondContact O-N 3.26Å |
| 664 | V | 86 | Confident | 79.9 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 175.6 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | Y637 F640 L641 D660 K661 L667 L668 V684 | Y637-V664 HydrophobicContact CD1-CB 3.92Å; Y637-V664 HydrophobicContact CD1-CG1 4.1Å; Y637-V664 HydrophobicContact CD1-CG2 3.99Å; Y637-V664 HydrophobicContact CE1-CB 4.42Å; Y637-V664 HydrophobicContact CE1-CG1 4.34Å; F640-V664 HydrophobicContact CB-CG2 4.49Å; F640-V664 HydrophobicContact CD1-CB 4.3Å; F640-V664 HydrophobicContact CD1-CG1 3.58Å; F640-V664 HydrophobicContact CD1-CG2 3.77Å; F640-V664 HydrophobicContact CE1-CG1 3.75Å; F640-V664 HydrophobicContact CG-CG1 4.44Å; L641-V664 HydrophobicContact CB-CG2 4.07Å; L641-V664 HydrophobicContact CD1-CG2 3.98Å; D660-V664 WeakPolarHBondContact O-CG2 3.3Å; D660-V664 PolarHBondContact O-N 3.15Å; K661-V664 PolarHBondContact O-N 2.98Å; V664-L667 PolarHBondContact O-N 3.47Å; V664-L668 HydrophobicContact CG1-CD1 3.79Å; V664-L668 WeakPolarHBondContact O-CG 3.1Å; V664-L668 PolarHBondContact O-N 3.4Å; V664-V684 HydrophobicContact CG1-CB 4.23Å; V664-V684 HydrophobicContact CG1-CG1 4.46Å; V664-V684 HydrophobicContact CG1-CG2 4.1Å |
| 665 | K | 85.9 | Confident | 79.9 | Confident | 83 Ų | 83 | 70.2 Ų | 70.2 | 36% | 0.361 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.6 | -47.8 | 175.5 | -175.8 | 170.8 | -176.8 | -177.6 | 0 | 112 | K661 D662 L667 L668 Q669 Y679 | K661-K665 WeakPolarHBondContact O-CB 3.45Å; K661-K665 PolarHBondContact O-N 3.39Å; D662-K665 PolarHBondContact O-N 2.91Å; K665-L667 VanDerWaalsContact C-N 3.35Å; K665-L667 PolarHBondContact O-N 3.16Å; K665-L668 PolarHBondContact O-N 2.6Å; K665-Q669 WeakPolarHBondContact O-CB 3.32Å; K665-Q669 VanDerWaalsContact O-CG 3.26Å; K665-Q669 WeakPolarHBondContact O-CG 3.44Å; K665-Q669 PolarHBondContact O-N 3.49Å; K665-Y679 HydrophobicContact CB-CD1 4.43Å; K665-Y679 HydrophobicContact CB-CE1 3.79Å; K665-Y679 HydrophobicContact CD-CE2 4.42Å; K665-Y679 HydrophobicContact CG-CE1 4.06Å; K665-Y679 HydrophobicContact CG-CE2 4.21Å |
| 666 | K | 83.1 | Confident | 80.2 | Confident | 115 Ų | 115 | 69.2 Ų | 69.2 | 50% | 0.5 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.7 | -38.8 | 176.3 | -102.6 | 173.5 | 173.3 | 174.3 | 0 | 112.9 | L657 D662 A663 G670 | L657-K666 HydrophobicContact CD1-CB 4.49Å; L657-K666 HydrophobicContact CD1-CD 3.76Å; L657-K666 HydrophobicContact CD2-CD 4.09Å; D662-K666 PolarHBondContact O-N 3.21Å; A663-K666 PolarHBondContact O-N 3.44Å; K666-G670 PolarHBondContact O-N 3.18Å |
| 667 | L | 84.9 | Confident | 80.8 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.9 | -49.2 | 175.8 | -176.8 | 159.3 | 0 | 0 | 0 | 110.9 | F640 Y644 T651 A663 V664 K665 G670 C671 L695 | F640-L667 HydrophobicContact CE1-CD2 4.41Å; Y644-L667 WeakPolarHBondContact O-CD1 3.5Å; T651-L667 HydrophobicContact CG2-CB 4.3Å; T651-L667 HydrophobicContact CG2-CD1 4.44Å; A663-L667 WeakPolarHBondContact O-CB 3.39Å; A663-L667 PolarHBondContact O-N 3.26Å; V664-L667 PolarHBondContact O-N 3.47Å; K665-L667 VanDerWaalsContact C-N 3.35Å; K665-L667 PolarHBondContact O-N 3.16Å; L667-G670 PolarHBondContact O-N 2.85Å; L667-C671 PolarHBondContact O-N 2.94Å; L667-C671 VanDerWaalsContact O-N 3.11Å; L667-C671 PolarHBondContact O-SG 3.4Å; L667-L695 HydrophobicContact CD2-CD2 4.2Å |
| 668 | L | 84.7 | Confident | 81.2 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70.2 | -34.4 | -177.9 | -70.6 | 166.8 | 0 | 0 | 0 | 112.8 | F640 V664 K665 C671 K672 F673 V677 Y679 V684 L695 | F640-L668 HydrophobicContact CE1-CD1 4.45Å; F640-L668 HydrophobicContact CE1-CD2 4.44Å; F640-L668 HydrophobicContact CE1-CG 4.44Å; F640-L668 HydrophobicContact CZ-CD2 4.16Å; V664-L668 HydrophobicContact CG1-CD1 3.79Å; V664-L668 WeakPolarHBondContact O-CG 3.1Å; V664-L668 PolarHBondContact O-N 3.4Å; K665-L668 PolarHBondContact O-N 2.6Å; L668-C671 CarbonylContact O-C 3.29Å; L668-C671 PolarHBondContact O-N 3.04Å; L668-K672 PolarHBondContact O-N 3.3Å; L668-K672 VanDerWaalsContact O-N 3.16Å; L668-F673 PolarHBondContact O-N 2.89Å; L668-V677 HydrophobicContact CD1-CB 4.36Å; L668-V677 HydrophobicContact CD1-CG1 3.83Å; L668-V677 HydrophobicContact CD1-CG2 4.09Å; L668-V677 HydrophobicContact CD2-CG2 4.37Å; L668-Y679 HydrophobicContact CD1-CE1 4.04Å; L668-V684 HydrophobicContact CD1-CG2 3.99Å; L668-L695 HydrophobicContact CD2-CD1 3.9Å; L668-L695 HydrophobicContact CD2-CD2 4.45Å |
| 669 | Q | 84 | Confident | 81.7 | Confident | 87 Ų | 87 | 57.3 Ų | 57.3 | 41% | 0.407 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 170.3 | -74.8 | 178 | -15.8 | 0 | 0 | 111.8 | K665 C671 K672 D674 | K665-Q669 WeakPolarHBondContact O-CB 3.32Å; K665-Q669 VanDerWaalsContact O-CG 3.26Å; K665-Q669 WeakPolarHBondContact O-CG 3.44Å; K665-Q669 PolarHBondContact O-N 3.49Å; Q669-C671 PolarHBondContact O-N 2.61Å; Q669-K672 PolarHBondContact O-N 3.09Å; Q669-D674 HydrophobicContact CG-CB 4.37Å |
| 670 | G | 77.9 | Confident | 82 | Confident | 62 Ų | 62 | 54.8 Ų | 54.8 | 64% | 0.639 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -59.8 | -31.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | K666 L667 | K666-G670 PolarHBondContact O-N 3.18Å; L667-G670 PolarHBondContact O-N 2.85Å |
| 671 | C | 77.6 | Confident | 82.2 | Confident | 19 Ų | 19 | 59.1 Ų | 59.1 | 13% | 0.128 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 0.6 | 175.9 | -58 | 0 | 0 | 0 | 0 | 114 | L667 L668 Q669 F673 L695 | L667-C671 PolarHBondContact O-N 2.94Å; L667-C671 VanDerWaalsContact O-N 3.11Å; L667-C671 PolarHBondContact O-SG 3.4Å; L668-C671 CarbonylContact O-C 3.29Å; L668-C671 PolarHBondContact O-N 3.04Å; Q669-C671 PolarHBondContact O-N 2.61Å; C671-F673 HydrophobicContact CB-CD2 3.44Å; C671-F673 VanDerWaalsContact CB-CD2 3.44Å; C671-F673 HydrophobicContact CB-CE2 3.73Å; C671-F673 HydrophobicContact CB-CG 4.5Å; C671-F673 WeakPolarHBondContact O-CD2 3.42Å; C671-F673 WeakPolarHBondContact O-CE2 3.02Å; C671-F673 PolarHBondContact O-N 2.98Å; C671-L695 HydrophobicContact CB-CD2 4.33Å |
| 672 | K | 79.2 | Confident | 82.1 | Confident | 187 Ų | 187 | 59.6 Ų | 59.6 | 81% | 0.813 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 32.9 | -177.4 | -54.6 | -178.3 | 179.8 | -180 | 0 | 115.4 | L668 Q669 | L668-K672 PolarHBondContact O-N 3.3Å; L668-K672 VanDerWaalsContact O-N 3.16Å; Q669-K672 PolarHBondContact O-N 3.09Å |
| 673 | F | 80.7 | Confident | 82.3 | Confident | 40 Ų | 40 | 58.7 Ų | 58.7 | 18% | 0.175 | 30% | 0.295 | C | S | . | . | trans | -105.6 | 16.5 | -179.2 | -65.7 | -58.8 | 0 | 0 | 0 | 115 | L668 C671 H675 D676 T691 L695 | L668-F673 PolarHBondContact O-N 2.89Å; C671-F673 HydrophobicContact CB-CD2 3.44Å; C671-F673 VanDerWaalsContact CB-CD2 3.44Å; C671-F673 HydrophobicContact CB-CE2 3.73Å; C671-F673 HydrophobicContact CB-CG 4.5Å; C671-F673 WeakPolarHBondContact O-CD2 3.42Å; C671-F673 WeakPolarHBondContact O-CE2 3.02Å; C671-F673 PolarHBondContact O-N 2.98Å; F673-H675 VanDerWaalsContact C-N 3.26Å; F673-H675 PolarHBondContact O-N 3.06Å; F673-H675 VanDerWaalsContact O-N 3.17Å; F673-D676 PolarHBondContact O-N 3.23Å; F673-D676 VanDerWaalsContact O-N 3.1Å; F673-T691 HydrophobicContact CB-CG2 3.69Å; F673-T691 HydrophobicContact CD1-CG2 3.71Å; F673-T691 HydrophobicContact CD2-CG2 3.88Å; F673-T691 HydrophobicContact CE1-CG2 4.3Å; F673-T691 HydrophobicContact CE2-CG2 4.45Å; F673-T691 HydrophobicContact CG-CG2 3.5Å; F673-T691 VanDerWaalsContact CG-CG2 3.5Å; F673-L695 HydrophobicContact CD2-CD2 4.39Å; F673-L695 HydrophobicContact CE2-CD2 4.39Å; F673-L695 HydrophobicContact CE2-CG 4.42Å | ||
| 674 | D | 71.5 | Confident | 82.4 | Confident | 64 Ų | 64 | 58.7 Ų | 58.7 | 34% | 0.342 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -61.6 | -29.1 | -171 | -157.4 | 53 | 0 | 0 | 0 | 114.1 | Q669 D676 Y679 | Q669-D674 HydrophobicContact CG-CB 4.37Å; D674-D676 VanDerWaalsContact C-N 3.32Å; D674-D676 PolarHBondContact O-N 3.39Å; D674-Y679 PolarHBondContact OD1-OH 2.49Å |
| 675 | H | 74.8 | Confident | 82.3 | Confident | 190 Ų | 190 | 58.8 Ų | 58.8 | 88% | 0.88 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -75.5 | -16.5 | 179.1 | -62.1 | -59.2 | 0 | 0 | 0 | 114.6 | F673 | F673-H675 VanDerWaalsContact C-N 3.26Å; F673-H675 PolarHBondContact O-N 3.06Å; F673-H675 VanDerWaalsContact O-N 3.17Å |
| 676 | D | 79.4 | Confident | 82.2 | Confident | 28 Ų | 28 | 54.8 Ų | 54.8 | 15% | 0.15 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -107.9 | 5.3 | -172.5 | -160.6 | 46.5 | 0 | 0 | 0 | 113 | F673 D674 R687 T688 T691 | F673-D676 PolarHBondContact O-N 3.23Å; F673-D676 VanDerWaalsContact O-N 3.1Å; D674-D676 VanDerWaalsContact C-N 3.32Å; D674-D676 PolarHBondContact O-N 3.39Å; D676-R687 VanDerWaalsContact O-CB 3.3Å; D676-R687 WeakPolarHBondContact O-CB 3.31Å; D676-R687 PolarHBondContact O-N 3.33Å; D676-R687 WeakPolarHBondContact OD1-CB 3.41Å; D676-T688 PolarHBondContact OD1-N 2.79Å; D676-T688 PolarHBondContact OD1-OG1 3.47Å; D676-T688 WeakPolarHBondContact OD2-CA 3.2Å; D676-T688 WeakPolarHBondContact OD2-CB 3.25Å; D676-T688 PolarHBondContact OD2-N 2.96Å; D676-T688 PolarHBondContact OD2-OG1 3.34Å; D676-T691 WeakPolarHBondContact OD2-CB 3.44Å; D676-T691 PolarHBondContact OD2-OG1 3.29Å |
| 677 | V | 82.9 | Confident | 81.9 | Confident | 15 Ų | 15 | 54.6 Ų | 54.6 | 9% | 0.091 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 137.6 | -175.1 | -176.6 | 0 | 0 | 0 | 0 | 110.4 | L668 Y679 V684 F685 I686 | L668-V677 HydrophobicContact CD1-CB 4.36Å; L668-V677 HydrophobicContact CD1-CG1 3.83Å; L668-V677 HydrophobicContact CD1-CG2 4.09Å; L668-V677 HydrophobicContact CD2-CG2 4.37Å; V677-Y679 HydrophobicContact CG1-CD1 4.47Å; V677-Y679 HydrophobicContact CG1-CE1 4.1Å; V677-V684 HydrophobicContact CG1-CG2 3.41Å; V677-V684 VanDerWaalsContact CG1-CG2 3.41Å; V677-F685 CarbonylContact C-O 3.47Å; V677-F685 WeakPolarHBondContact CA-O 3.42Å; V677-F685 WeakPolarHBondContact CG1-O 3.3Å; V677-I686 HydrophobicContact CG2-CG1 4.21Å |
| 678 | A | 84.6 | Confident | 81.2 | Confident | 21 Ų | 21 | 56.5 Ų | 56.5 | 17% | 0.174 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 143.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | I430 F631 F685 | I430-A678 HydrophobicContact CD1-CB 4.46Å; I430-A678 HydrophobicContact CG2-CB 4.4Å; F631-A678 HydrophobicContact CD1-CB 4.35Å; F631-A678 HydrophobicContact CE1-CB 3.36Å; F631-A678 HydrophobicContact CE2-CB 4.14Å; F631-A678 HydrophobicContact CZ-CB 3.24Å; A678-F685 HydrophobicContact CB-CB 4.28Å; A678-F685 PolarHBondContact N-O 3.19Å; A678-F685 PolarHBondContact O-N 2.08Å |
| 679 | Y | 86.9 | Confident | 80.4 | Confident | 49 Ų | 49 | 56.6 Ų | 56.6 | 19% | 0.192 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 100.5 | -175.6 | -59 | -81.9 | 0 | 0 | 0 | 110.3 | Y637 K665 L668 D674 V677 V684 | Y637-Y679 HydrophobicContact CE1-CD1 4.42Å; Y637-Y679 WeakPolarHBondContact OH-CA 3.26Å; K665-Y679 HydrophobicContact CB-CD1 4.43Å; K665-Y679 HydrophobicContact CB-CE1 3.79Å; K665-Y679 HydrophobicContact CD-CE2 4.42Å; K665-Y679 HydrophobicContact CG-CE1 4.06Å; K665-Y679 HydrophobicContact CG-CE2 4.21Å; L668-Y679 HydrophobicContact CD1-CE1 4.04Å; D674-Y679 PolarHBondContact OD1-OH 2.49Å; V677-Y679 HydrophobicContact CG1-CD1 4.47Å; V677-Y679 HydrophobicContact CG1-CE1 4.1Å; Y679-V684 HydrophobicContact CD1-CG2 4.48Å |
| 680 | G | 86.1 | Confident | 79.8 | Confident | 2 Ų | 2 | 59.6 Ų | 59.6 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | trans | -70.7 | -174 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E428 Y637 K661 K683 | E428-G680 WeakPolarHBondContact O-CA 2.88Å; Y637-G680 PolarHBondContact OH-N 3.48Å; Y637-G680 PolarHBondContact OH-O 2.91Å; K661-G680 PolarHBondContact NZ-O 3.49Å; G680-K683 WeakPolarHBondContact CA-O 3.45Å; G680-K683 PolarHBondContact N-O 3.24Å | ||
| 681 | K | 84.4 | Confident | 79.7 | Confident | 144 Ų | 144 | 57 Ų | 57 | 63% | 0.626 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -71 | -45.1 | 174.2 | -69.9 | 178.6 | -170.9 | 163.3 | 0 | 111.4 | R427 E428 | R427-K681 WeakPolarHBondContact O-CD 3.26Å; R427-K681 PolarHBondContact O-NZ 3.48Å; E428-K681 PolarHBondContact O-N 3.17Å; E428-K681 PolarHBondContact OE2-N 2.88Å |
| 682 | T | 83.2 | Confident | 79.5 | Confident | 76 Ų | 76 | 56.3 Ų | 56.3 | 47% | 0.466 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -118.2 | -18.2 | -174.8 | 76.5 | 0 | 0 | 0 | 0 | 113.9 | E428 Y637 | E428-T682 PolarHBondContact OE1-OG1 3.4Å; E428-T682 PolarHBondContact OE2-N 2.97Å; Y637-T682 VanDerWaalsContact CD2-C 3.43Å; Y637-T682 WeakPolarHBondContact CD2-O 3.12Å; Y637-T682 VanDerWaalsContact CE2-C 3.45Å; Y637-T682 PolarHBondContact N-O 3.42Å |
| 683 | K | 86.3 | Confident | 79 | Confident | 51 Ų | 51 | 50.8 Ų | 50.8 | 22% | 0.222 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 152.1 | -174.3 | -64.8 | 168.8 | -165.7 | 172.1 | 0 | 112.5 | E424 E428 Q635 T636 Y637 G680 F685 | E424-K683 IonicContact OE1-NZ 3.65Å; E424-K683 PolarHBondContact OE1-NZ 2.85Å; E428-K683 PolarHBondContact OE2-N 3.16Å; Q635-K683 CarbonylContact O-C 3.45Å; Q635-K683 VanDerWaalsContact O-CA 3.22Å; Q635-K683 WeakPolarHBondContact O-CA 3.2Å; Q635-K683 WeakPolarHBondContact O-CB 3.18Å; T636-K683 HydrophobicContact CG2-CG 3.93Å; Y637-K683 PolarHBondContact OH-O 2.92Å; G680-K683 WeakPolarHBondContact CA-O 3.45Å; G680-K683 PolarHBondContact N-O 3.24Å; K683-F685 HydrophobicContact CB-CD2 4.29Å; K683-F685 HydrophobicContact CB-CE2 3.73Å; K683-F685 HydrophobicContact CB-CZ 4.33Å |
| 684 | V | 86.6 | Confident | 78.8 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 139.3 | 165.8 | 66.5 | 0 | 0 | 0 | 0 | 109.6 | R634 Q635 Y637 F640 V664 L668 V677 Y679 | R634-V684 WeakPolarHBondContact CA-O 3.35Å; Q635-V684 PolarHBondContact N-O 2.69Å; Q635-V684 VanDerWaalsContact N-O 3.1Å; Q635-V684 PolarHBondContact O-N 2.71Å; Y637-V684 HydrophobicContact CD1-CB 4.24Å; Y637-V684 HydrophobicContact CE1-CB 3.87Å; F640-V684 HydrophobicContact CB-CG1 4.12Å; F640-V684 HydrophobicContact CD1-CG1 4.34Å; F640-V684 HydrophobicContact CD2-CG1 3.6Å; F640-V684 HydrophobicContact CE2-CG1 4.07Å; F640-V684 HydrophobicContact CG-CG1 3.75Å; V664-V684 HydrophobicContact CG1-CB 4.23Å; V664-V684 HydrophobicContact CG1-CG1 4.46Å; V664-V684 HydrophobicContact CG1-CG2 4.1Å; L668-V684 HydrophobicContact CD1-CG2 3.99Å; V677-V684 HydrophobicContact CG1-CG2 3.41Å; V677-V684 VanDerWaalsContact CG1-CG2 3.41Å; Y679-V684 HydrophobicContact CD1-CG2 4.48Å |
| 685 | F | 84.9 | Confident | 79.1 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 117.7 | -177.7 | -72.9 | -100.3 | 0 | 0 | 0 | 109.8 | Y425 E428 I430 F631 Y633 R634 V677 A678 K683 | Y425-F685 HydrophobicContact CD1-CE1 4.2Å; Y425-F685 HydrophobicContact CE1-CD1 4.25Å; Y425-F685 AromaticContact CE1-CE1 3.88Å; Y425-F685 HydrophobicContact CE1-CE1 3.88Å; E428-F685 HydrophobicContact CB-CE2 4Å; E428-F685 HydrophobicContact CB-CZ 4.16Å; E428-F685 HydrophobicContact CG-CE2 3.88Å; E428-F685 HydrophobicContact CG-CZ 3.85Å; I430-F685 HydrophobicContact CD1-CB 4.21Å; I430-F685 HydrophobicContact CD1-CD1 4.03Å; I430-F685 HydrophobicContact CD1-CD2 3.15Å; I430-F685 HydrophobicContact CD1-CE1 4.16Å; I430-F685 HydrophobicContact CD1-CE2 3.3Å; I430-F685 HydrophobicContact CD1-CG 3.54Å; I430-F685 HydrophobicContact CD1-CZ 3.82Å; F631-F685 HydrophobicContact CB-CB 3.88Å; F631-F685 HydrophobicContact CB-CD1 3.92Å; F631-F685 HydrophobicContact CB-CG 4.42Å; F631-F685 HydrophobicContact CD1-CB 3.64Å; F631-F685 HydrophobicContact CD2-CB 3.96Å; F631-F685 HydrophobicContact CD2-CD1 4Å; F631-F685 HydrophobicContact CD2-CG 4.33Å; F631-F685 HydrophobicContact CE1-CB 4.16Å; F631-F685 HydrophobicContact CE2-CB 4.48Å; F631-F685 HydrophobicContact CG-CB 3.55Å; F631-F685 HydrophobicContact CG-CD1 4.07Å; F631-F685 HydrophobicContact CG-CG 4.27Å; Y633-F685 CarbonylContact O-C 3.45Å; Y633-F685 WeakPolarHBondContact O-CA 3.3Å; R634-F685 HydrophobicContact CB-CD1 3.87Å; R634-F685 HydrophobicContact CB-CE1 3.89Å; R634-F685 HydrophobicContact CB-CG 4.45Å; R634-F685 HydrophobicContact CB-CZ 4.47Å; V677-F685 CarbonylContact C-O 3.47Å; V677-F685 WeakPolarHBondContact CA-O 3.42Å; V677-F685 WeakPolarHBondContact CG1-O 3.3Å; A678-F685 HydrophobicContact CB-CB 4.28Å; A678-F685 PolarHBondContact N-O 3.19Å; A678-F685 PolarHBondContact O-N 2.08Å; K683-F685 HydrophobicContact CB-CD2 4.29Å; K683-F685 HydrophobicContact CB-CE2 3.73Å; K683-F685 HydrophobicContact CB-CZ 4.33Å |
| 686 | I | 82.6 | Confident | 79.1 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 127.8 | -179.1 | -55.9 | 177.3 | 0 | 0 | 0 | 108.4 | F631 A632 Y633 F640 V677 T691 L692 L695 | F631-I686 CarbonylContact C-O 3.59Å; A632-I686 PolarHBondContact N-O 2.94Å; Y633-I686 HydrophobicContact CD1-CD1 4.08Å; Y633-I686 PolarHBondContact N-O 3.35Å; Y633-I686 PolarHBondContact O-N 3.19Å; F640-I686 HydrophobicContact CE2-CD1 3.87Å; F640-I686 HydrophobicContact CZ-CD1 4.26Å; V677-I686 HydrophobicContact CG2-CG1 4.21Å; I686-T691 HydrophobicContact CG2-CG2 3.85Å; I686-L692 HydrophobicContact CD1-CD1 4.21Å; I686-L695 HydrophobicContact CD1-CD1 4.38Å |
| 687 | R | 76.1 | Confident | 78.9 | Confident | 111 Ų | 111 | 45.3 Ų | 45.3 | 42% | 0.419 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -81 | -47.4 | -173.1 | -175.6 | 177.8 | -173.4 | -174.9 | -7.4 | 112 | F631 A632 D676 | F631-R687 HydrophobicContact CD1-CB 3.85Å; F631-R687 HydrophobicContact CE1-CB 4.11Å; A632-R687 VanDerWaalsContact CB-O 3.27Å; A632-R687 WeakPolarHBondContact CB-O 3.35Å; A632-R687 PolarHBondContact N-O 2.81Å; D676-R687 VanDerWaalsContact O-CB 3.3Å; D676-R687 WeakPolarHBondContact O-CB 3.31Å; D676-R687 PolarHBondContact O-N 3.33Å; D676-R687 WeakPolarHBondContact OD1-CB 3.41Å |
| 688 | T | 71.4 | Confident | 78.8 | Confident | 40 Ų | 40 | 47.5 Ų | 47.5 | 25% | 0.245 | 22% | 0.222 | C | C | . | . | trans | -105.2 | 131.9 | -176.3 | -41.1 | 0 | 0 | 0 | 0 | 111.8 | D676 R690 T691 | D676-T688 PolarHBondContact OD1-N 2.79Å; D676-T688 PolarHBondContact OD1-OG1 3.47Å; D676-T688 WeakPolarHBondContact OD2-CA 3.2Å; D676-T688 WeakPolarHBondContact OD2-CB 3.25Å; D676-T688 PolarHBondContact OD2-N 2.96Å; D676-T688 PolarHBondContact OD2-OG1 3.34Å; T688-R690 HydrophobicContact CG2-CB 4.2Å; T688-R690 HydrophobicContact CG2-CG 4.24Å; T688-R690 PolarHBondContact O-N 3.49Å; T688-R690 VanDerWaalsContact O-N 3.16Å; T688-T691 WeakPolarHBondContact O-CB 3.43Å; T688-T691 PolarHBondContact O-N 3.24Å | ||
| 689 | P | 66.9 | Low | 78.6 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.013 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.5 | -29.7 | 174.9 | -27.8 | 35.3 | 0 | 0 | 0 | 114.5 | V15 L16 A632 T691 L692 F693 | V15-P689 VanDerWaalsContact O-CG 3.24Å; V15-P689 WeakPolarHBondContact O-CG 3.24Å; L16-P689 HydrophobicContact CB-CB 4.23Å; L16-P689 HydrophobicContact CD2-CB 4.06Å; L16-P689 HydrophobicContact CD2-CG 4.36Å; A632-P689 HydrophobicContact CB-CG 3.84Å; P689-T691 VanDerWaalsContact C-N 3.26Å; P689-T691 PolarHBondContact O-N 2.8Å; P689-L692 WeakPolarHBondContact O-CB 3.24Å; P689-L692 PolarHBondContact O-N 2.78Å; P689-F693 HydrophobicContact CB-CD2 4.29Å; P689-F693 HydrophobicContact CB-CE2 3.9Å; P689-F693 WeakPolarHBondContact O-CD2 3.33Å; P689-F693 PolarHBondContact O-N 3.44Å |
| 690 | R | 72.2 | Confident | 78 | Confident | 150 Ų | 150 | 48.1 Ų | 48.1 | 57% | 0.566 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -56 | -40.1 | 177.9 | -67.6 | -175.5 | 179.2 | -179.1 | 1.7 | 112.5 | T688 L692 F693 S694 | T688-R690 HydrophobicContact CG2-CB 4.2Å; T688-R690 HydrophobicContact CG2-CG 4.24Å; T688-R690 PolarHBondContact O-N 3.49Å; T688-R690 VanDerWaalsContact O-N 3.16Å; R690-L692 VanDerWaalsContact C-N 3.33Å; R690-L692 PolarHBondContact O-N 2.92Å; R690-F693 PolarHBondContact O-N 3.44Å; R690-S694 PolarHBondContact O-N 3.39Å |
| 691 | T | 74.8 | Confident | 77.9 | Confident | 8 Ų | 8 | 52.7 Ų | 52.7 | 5% | 0.049 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 176.7 | -60.9 | 0 | 0 | 0 | 0 | 111.1 | F673 D676 I686 T688 P689 L695 | F673-T691 HydrophobicContact CB-CG2 3.69Å; F673-T691 HydrophobicContact CD1-CG2 3.71Å; F673-T691 HydrophobicContact CD2-CG2 3.88Å; F673-T691 HydrophobicContact CE1-CG2 4.3Å; F673-T691 HydrophobicContact CE2-CG2 4.45Å; F673-T691 HydrophobicContact CG-CG2 3.5Å; F673-T691 VanDerWaalsContact CG-CG2 3.5Å; D676-T691 WeakPolarHBondContact OD2-CB 3.44Å; D676-T691 PolarHBondContact OD2-OG1 3.29Å; I686-T691 HydrophobicContact CG2-CG2 3.85Å; T688-T691 WeakPolarHBondContact O-CB 3.43Å; T688-T691 PolarHBondContact O-N 3.24Å; P689-T691 VanDerWaalsContact C-N 3.26Å; P689-T691 PolarHBondContact O-N 2.8Å; T691-L695 HydrophobicContact CG2-CD1 4.49Å; T691-L695 VanDerWaalsContact O-CG 3.32Å; T691-L695 WeakPolarHBondContact O-CG 3.41Å; T691-L695 PolarHBondContact O-N 3.39Å; T691-L695 VanDerWaalsContact O-N 3.15Å |
| 692 | L | 73.3 | Confident | 77.8 | Confident | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.7 | -44.9 | 176.1 | -172.4 | 73.3 | 0 | 0 | 0 | 111.8 | L16 Y633 Y644 I686 P689 R690 S694 L695 E696 | L16-L692 HydrophobicContact CD1-CD2 4.28Å; L16-L692 HydrophobicContact CD2-CD2 3.78Å; Y633-L692 HydrophobicContact CD1-CD1 3.86Å; Y633-L692 HydrophobicContact CD2-CD1 4.31Å; Y633-L692 HydrophobicContact CD2-CD2 3.7Å; Y633-L692 HydrophobicContact CE1-CD1 3.85Å; Y633-L692 HydrophobicContact CE2-CD1 4.29Å; Y633-L692 HydrophobicContact CE2-CD2 4Å; Y633-L692 HydrophobicContact CG-CD1 4.07Å; Y633-L692 HydrophobicContact CG-CD2 4.01Å; Y644-L692 WeakPolarHBondContact OH-CD1 3.26Å; I686-L692 HydrophobicContact CD1-CD1 4.21Å; P689-L692 WeakPolarHBondContact O-CB 3.24Å; P689-L692 PolarHBondContact O-N 2.78Å; R690-L692 VanDerWaalsContact C-N 3.33Å; R690-L692 PolarHBondContact O-N 2.92Å; L692-S694 PolarHBondContact O-N 2.92Å; L692-L695 PolarHBondContact O-N 3.5Å; L692-E696 PolarHBondContact O-N 3.23Å |
| 693 | F | 69.6 | Low | 77.7 | Confident | 71 Ų | 71 | 47.3 Ų | 47.3 | 31% | 0.311 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.9 | -41.6 | 178.8 | -71.5 | -62.2 | 0 | 0 | 0 | 112.5 | K11 L16 P689 R690 L695 E696 E697 | K11-F693 HydrophobicContact CD-CE2 4.42Å; K11-F693 HydrophobicContact CD-CZ 3.89Å; K11-F693 HydrophobicContact CG-CZ 4.42Å; L16-F693 HydrophobicContact CB-CE2 4.15Å; L16-F693 HydrophobicContact CB-CZ 3.85Å; L16-F693 VanDerWaalsContact O-CE2 3.24Å; L16-F693 WeakPolarHBondContact O-CE2 3.3Å; P689-F693 HydrophobicContact CB-CD2 4.29Å; P689-F693 HydrophobicContact CB-CE2 3.9Å; P689-F693 WeakPolarHBondContact O-CD2 3.33Å; P689-F693 PolarHBondContact O-N 3.44Å; R690-F693 PolarHBondContact O-N 3.44Å; F693-L695 VanDerWaalsContact C-N 3.32Å; F693-L695 PolarHBondContact O-N 2.84Å; F693-E696 PolarHBondContact O-N 3.32Å; F693-E697 PolarHBondContact O-N 3.46Å |
| 694 | S | 77.2 | Confident | 77.7 | Confident | 35 Ų | 35 | 52 Ų | 52 | 25% | 0.245 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.4 | -40 | 176.4 | -171.1 | 0 | 0 | 0 | 0 | 111.9 | R690 L692 E697 Q698 | R690-S694 PolarHBondContact O-N 3.39Å; L692-S694 PolarHBondContact O-N 2.92Å; S694-E697 PolarHBondContact O-N 3.2Å; S694-Q698 VanDerWaalsContact O-CG 3.3Å; S694-Q698 WeakPolarHBondContact O-CG 3.32Å; S694-Q698 PolarHBondContact O-N 2.91Å; S694-Q698 PolarHBondContact OG-NE2 2.9Å |
| 695 | L | 77.8 | Confident | 77.7 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63 | -40.7 | 174.5 | -70.4 | 169.4 | 0 | 0 | 0 | 112.2 | F640 Y644 I647 L667 L668 C671 F673 I686 T691 L692 F693 R699 | F640-L695 HydrophobicContact CZ-CD1 3.98Å; Y644-L695 HydrophobicContact CD1-CB 4.22Å; Y644-L695 HydrophobicContact CE1-CB 3.98Å; I647-L695 HydrophobicContact CD1-CB 4.32Å; I647-L695 HydrophobicContact CD1-CD2 3.99Å; I647-L695 VanDerWaalsContact CD1-O 3.28Å; I647-L695 WeakPolarHBondContact CD1-O 3.26Å; L667-L695 HydrophobicContact CD2-CD2 4.2Å; L668-L695 HydrophobicContact CD2-CD1 3.9Å; L668-L695 HydrophobicContact CD2-CD2 4.45Å; C671-L695 HydrophobicContact CB-CD2 4.33Å; F673-L695 HydrophobicContact CD2-CD2 4.39Å; F673-L695 HydrophobicContact CE2-CD2 4.39Å; F673-L695 HydrophobicContact CE2-CG 4.42Å; I686-L695 HydrophobicContact CD1-CD1 4.38Å; T691-L695 HydrophobicContact CG2-CD1 4.49Å; T691-L695 VanDerWaalsContact O-CG 3.32Å; T691-L695 WeakPolarHBondContact O-CG 3.41Å; T691-L695 PolarHBondContact O-N 3.39Å; T691-L695 VanDerWaalsContact O-N 3.15Å; L692-L695 PolarHBondContact O-N 3.5Å; F693-L695 VanDerWaalsContact C-N 3.32Å; F693-L695 PolarHBondContact O-N 2.84Å; L695-R699 VanDerWaalsContact O-CB 3.3Å; L695-R699 WeakPolarHBondContact O-CB 3.44Å; L695-R699 PolarHBondContact O-N 3.46Å |
| 696 | E | 74.9 | Confident | 77.8 | Confident | 28 Ų | 28 | 61 Ų | 61 | 13% | 0.131 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.8 | -37.6 | 176.5 | -77.9 | -64.3 | 159.8 | 0 | 0 | 113 | R643 Y644 L692 F693 R699 A700 | R643-E696 IonicContact CZ-OE1 3.6Å; R643-E696 IonicContact NE-OE1 3.43Å; R643-E696 PolarHBondContact NE-OE1 3Å; R643-E696 IonicContact NH2-OE1 3.83Å; R643-E696 PolarHBondContact NH2-OE1 3.41Å; R643-E696 IonicContact NH2-OE2 2.61Å; Y644-E696 HydrophobicContact CE1-CG 4.36Å; Y644-E696 WeakPolarHBondContact CE1-OE1 3.43Å; Y644-E696 PolarHBondContact OH-OE1 2.9Å; L692-E696 PolarHBondContact O-N 3.23Å; F693-E696 PolarHBondContact O-N 3.32Å; E696-R699 WeakPolarHBondContact O-CB 3.46Å; E696-R699 PolarHBondContact O-N 3.34Å; E696-R699 IonicContact OE2-CZ 3.94Å; E696-R699 IonicContact OE2-NH1 2.93Å; E696-R699 PolarHBondContact OE2-NH1 3.3Å; E696-A700 WeakPolarHBondContact O-CB 3.3Å; E696-A700 PolarHBondContact O-N 2.88Å |
| 697 | E | 75.4 | Confident | 78.1 | Confident | 144 Ų | 144 | 64.1 Ų | 64.1 | 67% | 0.673 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -63.7 | -47.6 | 176.1 | -173.1 | 172.5 | -158.1 | 0 | 0 | 111.2 | F693 S694 R699 A700 E701 | F693-E697 PolarHBondContact O-N 3.46Å; S694-E697 PolarHBondContact O-N 3.2Å; E697-R699 VanDerWaalsContact C-N 3.31Å; E697-R699 PolarHBondContact O-N 3.04Å; E697-A700 PolarHBondContact O-N 3.44Å; E697-A700 VanDerWaalsContact O-N 3.14Å; E697-E701 PolarHBondContact O-N 2.97Å |
| 698 | Q | 79.9 | Confident | 78.9 | Confident | 61 Ų | 61 | 63.1 Ų | 63.1 | 29% | 0.285 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.6 | -42.8 | 174.5 | -70.8 | 177.8 | 39.8 | 0 | 0 | 111.5 | I647 S694 A700 E701 M702 | I647-Q698 HydrophobicContact CD1-CB 4.36Å; I647-Q698 HydrophobicContact CG1-CB 4.47Å; I647-Q698 HydrophobicContact CG2-CB 4.26Å; I647-Q698 VanDerWaalsContact CG2-OE1 3.28Å; S694-Q698 VanDerWaalsContact O-CG 3.3Å; S694-Q698 WeakPolarHBondContact O-CG 3.32Å; S694-Q698 PolarHBondContact O-N 2.91Å; S694-Q698 PolarHBondContact OG-NE2 2.9Å; Q698-A700 PolarHBondContact O-N 3.27Å; Q698-E701 PolarHBondContact O-N 3.11Å; Q698-M702 WeakPolarHBondContact O-CG 3.43Å; Q698-M702 PolarHBondContact O-N 2.98Å |
| 699 | R | 80.9 | Confident | 79.9 | Confident | 36 Ų | 36 | 67.2 Ų | 67.2 | 14% | 0.136 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 174.3 | 176.8 | -179.4 | 166.4 | -99.3 | -8.8 | 111.5 | H4 I647 L695 E696 E697 E701 M702 V703 | H4-R699 PolarHBondContact CE1-NH1 3.19Å; H4-R699 PolarHBondContact NE2-NH1 3.14Å; I647-R699 HydrophobicContact CD1-CB 4.23Å; I647-R699 HydrophobicContact CG1-CB 4.28Å; L695-R699 VanDerWaalsContact O-CB 3.3Å; L695-R699 WeakPolarHBondContact O-CB 3.44Å; L695-R699 PolarHBondContact O-N 3.46Å; E696-R699 WeakPolarHBondContact O-CB 3.46Å; E696-R699 PolarHBondContact O-N 3.34Å; E696-R699 IonicContact OE2-CZ 3.94Å; E696-R699 IonicContact OE2-NH1 2.93Å; E696-R699 PolarHBondContact OE2-NH1 3.3Å; E697-R699 VanDerWaalsContact C-N 3.31Å; E697-R699 PolarHBondContact O-N 3.04Å; R699-E701 VanDerWaalsContact C-N 3.28Å; R699-E701 PolarHBondContact O-N 3.25Å; R699-M702 PolarHBondContact O-N 3.37Å; R699-V703 HydrophobicContact CG-CG2 4.39Å; R699-V703 WeakPolarHBondContact O-CG2 3.49Å; R699-V703 PolarHBondContact O-N 2.95Å |
| 700 | A | 74.3 | Confident | 81.1 | Confident | 47 Ų | 47 | 72.1 Ų | 72.1 | 39% | 0.388 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.2 | -37.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E696 E697 Q698 K704 | E696-A700 WeakPolarHBondContact O-CB 3.3Å; E696-A700 PolarHBondContact O-N 2.88Å; E697-A700 PolarHBondContact O-N 3.44Å; E697-A700 VanDerWaalsContact O-N 3.14Å; Q698-A700 PolarHBondContact O-N 3.27Å; A700-K704 WeakPolarHBondContact O-CG 3.35Å; A700-K704 PolarHBondContact O-N 3.1Å |
| 701 | E | 83.4 | Confident | 82.1 | Confident | 97 Ų | 97 | 69.3 Ų | 69.3 | 45% | 0.453 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.6 | -46.1 | 172.9 | -164 | -172.7 | 161.2 | 0 | 0 | 111.8 | E697 Q698 R699 V703 K704 R705 | E697-E701 PolarHBondContact O-N 2.97Å; Q698-E701 PolarHBondContact O-N 3.11Å; R699-E701 VanDerWaalsContact C-N 3.28Å; R699-E701 PolarHBondContact O-N 3.25Å; E701-V703 PolarHBondContact O-N 3.24Å; E701-K704 WeakPolarHBondContact O-CB 3.22Å; E701-K704 PolarHBondContact O-N 2.65Å; E701-R705 PolarHBondContact O-N 3.31Å; E701-R705 VanDerWaalsContact O-N 3.13Å; E701-R705 IonicContact OE1-CZ 2.72Å; E701-R705 IonicContact OE1-NE 4Å; E701-R705 PolarHBondContact OE1-NE 2.92Å; E701-R705 IonicContact OE1-NH2 3.1Å; E701-R705 PolarHBondContact OE1-NH2 3.15Å |
| 702 | M | 83.2 | Confident | 83.1 | Confident | 51 Ų | 51 | 76.3 Ų | 76.3 | 25% | 0.251 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.9 | -38.4 | 178.5 | -71.5 | -55.6 | -69.8 | 0 | 0 | 112.7 | M646 Q698 R699 K704 R705 I706 | M646-M702 WeakPolarHBondContact O-CE 3.34Å; Q698-M702 WeakPolarHBondContact O-CG 3.43Å; Q698-M702 PolarHBondContact O-N 2.98Å; R699-M702 PolarHBondContact O-N 3.37Å; M702-K704 VanDerWaalsContact C-N 3.32Å; M702-K704 PolarHBondContact O-N 2.62Å; M702-R705 WeakPolarHBondContact O-CB 3.22Å; M702-R705 PolarHBondContact O-N 2.72Å; M702-R705 VanDerWaalsContact O-N 3.15Å; M702-I706 WeakPolarHBondContact O-CG1 3.5Å; M702-I706 PolarHBondContact O-N 2.98Å |
| 703 | V | 80.8 | Confident | 84.1 | Confident | 56 Ų | 56 | 79 Ų | 79 | 34% | 0.339 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.4 | -43.4 | 174.4 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | M646 R699 E701 R705 I706 V707 | M646-V703 HydrophobicContact SD-CG2 4.32Å; R699-V703 HydrophobicContact CG-CG2 4.39Å; R699-V703 WeakPolarHBondContact O-CG2 3.49Å; R699-V703 PolarHBondContact O-N 2.95Å; E701-V703 PolarHBondContact O-N 3.24Å; V703-R705 VanDerWaalsContact C-N 3.33Å; V703-R705 PolarHBondContact O-N 2.85Å; V703-I706 PolarHBondContact O-N 2.91Å; V703-V707 HydrophobicContact CG1-CG2 4.43Å; V703-V707 WeakPolarHBondContact O-CG2 3.48Å; V703-V707 PolarHBondContact O-N 3.3Å |
| 704 | K | 84.7 | Confident | 85.4 | Confident | 151 Ų | 151 | 83.1 Ų | 83.1 | 66% | 0.657 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -59.1 | -45 | 175.3 | -67.7 | 170.1 | -175.1 | 173.8 | 0 | 111 | A700 E701 M702 V707 V708 | A700-K704 WeakPolarHBondContact O-CG 3.35Å; A700-K704 PolarHBondContact O-N 3.1Å; E701-K704 WeakPolarHBondContact O-CB 3.22Å; E701-K704 PolarHBondContact O-N 2.65Å; M702-K704 VanDerWaalsContact C-N 3.32Å; M702-K704 PolarHBondContact O-N 2.62Å; K704-V707 PolarHBondContact O-N 2.83Å; K704-V708 WeakPolarHBondContact O-CG2 3.42Å; K704-V708 PolarHBondContact O-N 3.4Å |
| 705 | R | 87.5 | Confident | 86.2 | Confident | 147 Ų | 147 | 89.8 Ų | 89.8 | 56% | 0.555 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -61.9 | -43.8 | 177.4 | -66.5 | 179.4 | -175.9 | -167.1 | 1.5 | 112.2 | E701 M702 V703 V708 F709 | E701-R705 PolarHBondContact O-N 3.31Å; E701-R705 VanDerWaalsContact O-N 3.13Å; E701-R705 IonicContact OE1-CZ 2.72Å; E701-R705 IonicContact OE1-NE 4Å; E701-R705 PolarHBondContact OE1-NE 2.92Å; E701-R705 IonicContact OE1-NH2 3.1Å; E701-R705 PolarHBondContact OE1-NH2 3.15Å; M702-R705 WeakPolarHBondContact O-CB 3.22Å; M702-R705 PolarHBondContact O-N 2.72Å; M702-R705 VanDerWaalsContact O-N 3.15Å; V703-R705 VanDerWaalsContact C-N 3.33Å; V703-R705 PolarHBondContact O-N 2.85Å; R705-V708 PolarHBondContact O-N 2.88Å; R705-F709 WeakPolarHBondContact O-CB 3.4Å; R705-F709 PolarHBondContact O-N 2.7Å |
| 706 | I | 86.9 | Confident | 87.1 | Confident | 43 Ų | 43 | 91 Ų | 91 | 22% | 0.221 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 177.7 | -67.6 | 167.1 | 0 | 0 | 0 | 110.9 | M646 W652 M702 V703 V708 F709 L710 | M646-I706 HydrophobicContact CB-CD1 4.34Å; M646-I706 HydrophobicContact CG-CD1 4.03Å; M646-I706 HydrophobicContact SD-CD1 3.95Å; W652-I706 HydrophobicContact CH2-CD1 4.3Å; W652-I706 HydrophobicContact CZ2-CD1 4.23Å; M702-I706 WeakPolarHBondContact O-CG1 3.5Å; M702-I706 PolarHBondContact O-N 2.98Å; V703-I706 PolarHBondContact O-N 2.91Å; I706-V708 VanDerWaalsContact C-N 3.34Å; I706-V708 PolarHBondContact O-N 2.95Å; I706-F709 WeakPolarHBondContact O-CB 3.29Å; I706-F709 PolarHBondContact O-N 3.49Å; I706-L710 HydrophobicContact CG2-CD1 4.24Å; I706-L710 HydrophobicContact CG2-CG 4.47Å; I706-L710 WeakPolarHBondContact O-CG 3.42Å; I706-L710 PolarHBondContact O-N 3.32Å |
| 707 | V | 89.3 | Confident | 88 | Confident | 65 Ų | 65 | 91.6 Ų | 91.6 | 39% | 0.394 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 177 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | V703 K704 F709 L710 Q711 | V703-V707 HydrophobicContact CG1-CG2 4.43Å; V703-V707 WeakPolarHBondContact O-CG2 3.48Å; V703-V707 PolarHBondContact O-N 3.3Å; K704-V707 PolarHBondContact O-N 2.83Å; V707-F709 VanDerWaalsContact C-N 3.33Å; V707-F709 PolarHBondContact O-N 2.81Å; V707-L710 PolarHBondContact O-N 3.5Å; V707-Q711 HydrophobicContact CG1-CG 4.43Å; V707-Q711 WeakPolarHBondContact O-CB 3.41Å; V707-Q711 VanDerWaalsContact O-CG 3.26Å; V707-Q711 WeakPolarHBondContact O-CG 3.34Å; V707-Q711 PolarHBondContact O-N 3.17Å |
| 708 | V | 92.9 | Very high | 89 | Confident | 89 Ų | 89 | 88.7 Ų | 88.7 | 54% | 0.539 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.7 | -40 | 175.8 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | K704 R705 I706 Q711 K712 | K704-V708 WeakPolarHBondContact O-CG2 3.42Å; K704-V708 PolarHBondContact O-N 3.4Å; R705-V708 PolarHBondContact O-N 2.88Å; I706-V708 VanDerWaalsContact C-N 3.34Å; I706-V708 PolarHBondContact O-N 2.95Å; V708-Q711 PolarHBondContact O-N 2.91Å; V708-K712 VanDerWaalsContact O-CB 3.3Å; V708-K712 WeakPolarHBondContact O-CB 3.37Å; V708-K712 PolarHBondContact O-N 2.78Å |
| 709 | F | 91.8 | Very high | 89.7 | Confident | 126 Ų | 126 | 88.6 Ų | 88.6 | 55% | 0.553 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -60.7 | -48.6 | 174.8 | 174.2 | -99.4 | 0 | 0 | 0 | 111.8 | R705 I706 V707 Q711 K712 V713 | R705-F709 WeakPolarHBondContact O-CB 3.4Å; R705-F709 PolarHBondContact O-N 2.7Å; I706-F709 WeakPolarHBondContact O-CB 3.29Å; I706-F709 PolarHBondContact O-N 3.49Å; V707-F709 VanDerWaalsContact C-N 3.33Å; V707-F709 PolarHBondContact O-N 2.81Å; F709-Q711 VanDerWaalsContact C-N 3.34Å; F709-Q711 PolarHBondContact O-N 2.9Å; F709-K712 WeakPolarHBondContact O-CB 3.32Å; F709-K712 PolarHBondContact O-N 2.88Å; F709-V713 HydrophobicContact CD1-CG2 4.41Å; F709-V713 HydrophobicContact CD2-CG2 4.31Å; F709-V713 HydrophobicContact CE1-CG2 4.01Å; F709-V713 HydrophobicContact CE2-CG2 3.91Å; F709-V713 HydrophobicContact CZ-CG2 3.75Å; F709-V713 WeakPolarHBondContact O-CG2 3.47Å; F709-V713 PolarHBondContact O-N 2.88Å |
| 710 | L | 92.6 | Very high | 90.3 | Very high | 105 Ų | 105 | 94 Ų | 94 | 55% | 0.55 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.4 | -44 | 177 | -70.1 | 174.7 | 0 | 0 | 0 | 111.5 | I706 V707 K712 V713 W714 | I706-L710 HydrophobicContact CG2-CD1 4.24Å; I706-L710 HydrophobicContact CG2-CG 4.47Å; I706-L710 WeakPolarHBondContact O-CG 3.42Å; I706-L710 PolarHBondContact O-N 3.32Å; V707-L710 PolarHBondContact O-N 3.5Å; L710-K712 PolarHBondContact O-N 3.03Å; L710-V713 PolarHBondContact O-N 3.1Å; L710-W714 VanDerWaalsContact O-CB 3.32Å; L710-W714 WeakPolarHBondContact O-CB 3.41Å; L710-W714 PolarHBondContact O-N 3.44Å |
| 711 | Q | 92.9 | Very high | 91.2 | Very high | 91 Ų | 91 | 95.9 Ų | 95.9 | 43% | 0.425 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 175.4 | -72.7 | 174.7 | -9.3 | 0 | 0 | 111.9 | V707 V708 F709 W714 R715 | V707-Q711 HydrophobicContact CG1-CG 4.43Å; V707-Q711 WeakPolarHBondContact O-CB 3.41Å; V707-Q711 VanDerWaalsContact O-CG 3.26Å; V707-Q711 WeakPolarHBondContact O-CG 3.34Å; V707-Q711 PolarHBondContact O-N 3.17Å; V708-Q711 PolarHBondContact O-N 2.91Å; F709-Q711 VanDerWaalsContact C-N 3.34Å; F709-Q711 PolarHBondContact O-N 2.9Å; Q711-W714 PolarHBondContact O-N 2.76Å; Q711-R715 WeakPolarHBondContact O-CB 3.48Å; Q711-R715 VanDerWaalsContact O-CG 3.26Å; Q711-R715 WeakPolarHBondContact O-CG 3.39Å; Q711-R715 PolarHBondContact O-N 2.86Å |
| 712 | K | 95.8 | Very high | 91.7 | Very high | 155 Ų | 155 | 101 Ų | 101 | 67% | 0.674 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -59.5 | -48.7 | 176.7 | 175.4 | -173.4 | 175.5 | -177.6 | 0 | 111.1 | V708 F709 L710 G716 | V708-K712 VanDerWaalsContact O-CB 3.3Å; V708-K712 WeakPolarHBondContact O-CB 3.37Å; V708-K712 PolarHBondContact O-N 2.78Å; F709-K712 WeakPolarHBondContact O-CB 3.32Å; F709-K712 PolarHBondContact O-N 2.88Å; L710-K712 PolarHBondContact O-N 3.03Å; K712-G716 PolarHBondContact O-N 2.93Å |
| 713 | V | 95.4 | Very high | 92.2 | Very high | 61 Ų | 61 | 104.8 Ų | 104.8 | 37% | 0.37 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 180 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | F709 L710 G716 T717 | F709-V713 HydrophobicContact CD1-CG2 4.41Å; F709-V713 HydrophobicContact CD2-CG2 4.31Å; F709-V713 HydrophobicContact CE1-CG2 4.01Å; F709-V713 HydrophobicContact CE2-CG2 3.91Å; F709-V713 HydrophobicContact CZ-CG2 3.75Å; F709-V713 WeakPolarHBondContact O-CG2 3.47Å; F709-V713 PolarHBondContact O-N 2.88Å; L710-V713 PolarHBondContact O-N 3.1Å; V713-G716 PolarHBondContact O-N 2.82Å; V713-T717 WeakPolarHBondContact O-CB 3.47Å; V713-T717 PolarHBondContact O-N 3.38Å; V713-T717 PolarHBondContact O-OG1 2.91Å |
| 714 | W | 95 | Very high | 92.8 | Very high | 158 Ų | 158 | 111.2 Ų | 111.2 | 60% | 0.598 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.3 | -50.9 | 178.8 | -178.5 | -118.5 | 0 | 0 | 0 | 112 | L710 Q711 G716 T717 L718 | L710-W714 VanDerWaalsContact O-CB 3.32Å; L710-W714 WeakPolarHBondContact O-CB 3.41Å; L710-W714 PolarHBondContact O-N 3.44Å; Q711-W714 PolarHBondContact O-N 2.76Å; W714-G716 VanDerWaalsContact C-N 3.33Å; W714-G716 PolarHBondContact O-N 3.1Å; W714-T717 PolarHBondContact O-N 2.97Å; W714-T717 VanDerWaalsContact O-N 3.09Å; W714-L718 HydrophobicContact CD2-CG 4.49Å; W714-L718 HydrophobicContact CZ2-CD1 4.39Å; W714-L718 HydrophobicContact CZ2-CD2 4.07Å; W714-L718 HydrophobicContact CZ2-CG 4.33Å; W714-L718 PolarHBondContact O-N 3.37Å |
| 715 | R | 94.9 | Very high | 93.2 | Very high | 174 Ų | 174 | 113 Ų | 113 | 66% | 0.657 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.3 | -43.9 | 176.5 | -72.3 | 175.2 | 178.3 | 174 | 1 | 111.7 | Q711 T717 L718 A719 | Q711-R715 WeakPolarHBondContact O-CB 3.48Å; Q711-R715 VanDerWaalsContact O-CG 3.26Å; Q711-R715 WeakPolarHBondContact O-CG 3.39Å; Q711-R715 PolarHBondContact O-N 2.86Å; R715-T717 VanDerWaalsContact C-N 3.32Å; R715-T717 PolarHBondContact O-N 2.91Å; R715-L718 PolarHBondContact O-N 3.12Å; R715-A719 PolarHBondContact O-N 2.72Å; R715-A719 VanDerWaalsContact O-N 3.08Å |
| 716 | G | 95.9 | Very high | 93.4 | Very high | 27 Ų | 27 | 111.1 Ų | 111.1 | 28% | 0.278 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.4 | -34.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | K712 V713 W714 R720 | K712-G716 PolarHBondContact O-N 2.93Å; V713-G716 PolarHBondContact O-N 2.82Å; W714-G716 VanDerWaalsContact C-N 3.33Å; W714-G716 PolarHBondContact O-N 3.1Å; G716-R720 WeakPolarHBondContact O-CB 3.39Å; G716-R720 WeakPolarHBondContact O-CG 3.43Å; G716-R720 PolarHBondContact O-N 2.82Å; G716-R720 PolarHBondContact O-NE 3.17Å |
| 717 | T | 95.3 | Very high | 93.7 | Very high | 40 Ų | 40 | 115.9 Ų | 115.9 | 25% | 0.245 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -71.1 | -43 | 177.9 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | V713 W714 R715 A719 R720 M721 | V713-T717 WeakPolarHBondContact O-CB 3.47Å; V713-T717 PolarHBondContact O-N 3.38Å; V713-T717 PolarHBondContact O-OG1 2.91Å; W714-T717 PolarHBondContact O-N 2.97Å; W714-T717 VanDerWaalsContact O-N 3.09Å; R715-T717 VanDerWaalsContact C-N 3.32Å; R715-T717 PolarHBondContact O-N 2.91Å; T717-A719 VanDerWaalsContact C-N 3.33Å; T717-A719 PolarHBondContact O-N 3.43Å; T717-R720 PolarHBondContact O-N 3.15Å; T717-R720 PolarHBondContact OG1-NH2 2.86Å; T717-M721 HydrophobicContact CG2-CE 3.7Å; T717-M721 WeakPolarHBondContact O-CG 3.39Å; T717-M721 PolarHBondContact O-N 2.93Å |
| 718 | L | 94.8 | Very high | 93.9 | Very high | 82 Ų | 82 | 115.1 Ų | 115.1 | 43% | 0.429 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.4 | -45.5 | 172.6 | -71.9 | 173.3 | 0 | 0 | 0 | 111.9 | W714 R715 M721 R722 | W714-L718 HydrophobicContact CD2-CG 4.49Å; W714-L718 HydrophobicContact CZ2-CD1 4.39Å; W714-L718 HydrophobicContact CZ2-CD2 4.07Å; W714-L718 HydrophobicContact CZ2-CG 4.33Å; W714-L718 PolarHBondContact O-N 3.37Å; R715-L718 PolarHBondContact O-N 3.12Å; L718-M721 PolarHBondContact O-N 3.3Å; L718-R722 PolarHBondContact O-N 3.28Å |
| 719 | A | 94.6 | Very high | 93.8 | Very high | 59 Ų | 59 | 113.5 Ų | 113.5 | 49% | 0.488 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.8 | -45 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R715 T717 M721 R722 Y723 | R715-A719 PolarHBondContact O-N 2.72Å; R715-A719 VanDerWaalsContact O-N 3.08Å; T717-A719 VanDerWaalsContact C-N 3.33Å; T717-A719 PolarHBondContact O-N 3.43Å; A719-M721 PolarHBondContact O-N 2.99Å; A719-R722 PolarHBondContact O-N 2.99Å; A719-Y723 WeakPolarHBondContact O-CB 3.42Å; A719-Y723 PolarHBondContact O-N 2.96Å |
| 720 | R | 94.8 | Very high | 93.8 | Very high | 149 Ų | 149 | 111.8 Ų | 111.8 | 56% | 0.562 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.2 | -39.9 | 176.6 | -76.1 | -177.9 | -72.6 | -154.8 | 4.2 | 112.4 | G716 T717 Y723 R724 | G716-R720 WeakPolarHBondContact O-CB 3.39Å; G716-R720 WeakPolarHBondContact O-CG 3.43Å; G716-R720 PolarHBondContact O-N 2.82Å; G716-R720 PolarHBondContact O-NE 3.17Å; T717-R720 PolarHBondContact O-N 3.15Å; T717-R720 PolarHBondContact OG1-NH2 2.86Å; R720-Y723 PolarHBondContact O-N 3.48Å; R720-R724 WeakPolarHBondContact O-CG 3.29Å; R720-R724 PolarHBondContact O-N 2.91Å |
| 721 | M | 93.3 | Very high | 93.8 | Very high | 88 Ų | 88 | 112 Ų | 112 | 43% | 0.433 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.9 | -46.7 | 174.1 | -72 | -165.3 | -150.5 | 0 | 0 | 111.4 | T717 L718 A719 Y723 R724 R725 | T717-M721 HydrophobicContact CG2-CE 3.7Å; T717-M721 WeakPolarHBondContact O-CG 3.39Å; T717-M721 PolarHBondContact O-N 2.93Å; L718-M721 PolarHBondContact O-N 3.3Å; A719-M721 PolarHBondContact O-N 2.99Å; M721-Y723 VanDerWaalsContact C-N 3.33Å; M721-Y723 PolarHBondContact O-N 2.92Å; M721-R724 PolarHBondContact O-N 2.94Å; M721-R725 WeakPolarHBondContact O-CG 3.48Å; M721-R725 PolarHBondContact O-N 3.35Å |
| 722 | R | 93.4 | Very high | 93.8 | Very high | 203 Ų | 203 | 113.2 Ų | 113.2 | 77% | 0.766 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.8 | -43.6 | 177.1 | -172.1 | 176.7 | -178.9 | 178.4 | 0.7 | 111.6 | L718 A719 R725 M726 | L718-R722 PolarHBondContact O-N 3.28Å; A719-R722 PolarHBondContact O-N 2.99Å; R722-R725 PolarHBondContact O-N 3.44Å; R722-M726 WeakPolarHBondContact O-CB 3.43Å; R722-M726 PolarHBondContact O-N 3.24Å |
| 723 | Y | 94.4 | Very high | 93.5 | Very high | 132 Ų | 132 | 109.4 Ų | 109.4 | 52% | 0.518 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | 177.2 | -177.9 | -112.1 | 0 | 0 | 0 | 112.6 | A719 R720 M721 R725 M726 R727 | A719-Y723 WeakPolarHBondContact O-CB 3.42Å; A719-Y723 PolarHBondContact O-N 2.96Å; R720-Y723 PolarHBondContact O-N 3.48Å; M721-Y723 VanDerWaalsContact C-N 3.33Å; M721-Y723 PolarHBondContact O-N 2.92Å; Y723-R725 PolarHBondContact O-N 2.95Å; Y723-M726 HydrophobicContact CD2-CE 4.16Å; Y723-M726 PolarHBondContact O-N 3.44Å; Y723-R727 HydrophobicContact CD1-CG 4.45Å; Y723-R727 HydrophobicContact CE1-CG 4.09Å; Y723-R727 HydrophobicContact CE2-CG 4.21Å; Y723-R727 PolarHBondContact O-N 2.89Å |
| 724 | R | 93.2 | Very high | 93.1 | Very high | 191 Ų | 191 | 114.6 Ų | 114.6 | 72% | 0.721 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.9 | -44.9 | 175.1 | -75.3 | 179.8 | 179.9 | -177.3 | 0.1 | 111.8 | R720 M721 M726 R727 A728 | R720-R724 WeakPolarHBondContact O-CG 3.29Å; R720-R724 PolarHBondContact O-N 2.91Å; M721-R724 PolarHBondContact O-N 2.94Å; R724-M726 PolarHBondContact O-N 3.09Å; R724-R727 PolarHBondContact O-N 3.08Å; R724-A728 PolarHBondContact O-N 3.42Å |
| 725 | R | 92.7 | Very high | 92.8 | Very high | 188 Ų | 188 | 109.9 Ų | 109.9 | 71% | 0.709 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.4 | -44.9 | 175 | -72.1 | -179.8 | -178 | 176.2 | 1.3 | 111.7 | M721 R722 Y723 A728 A729 | M721-R725 WeakPolarHBondContact O-CG 3.48Å; M721-R725 PolarHBondContact O-N 3.35Å; R722-R725 PolarHBondContact O-N 3.44Å; Y723-R725 PolarHBondContact O-N 2.95Å; R725-A728 PolarHBondContact O-N 2.88Å; R725-A729 WeakPolarHBondContact O-CB 3.37Å; R725-A729 PolarHBondContact O-N 3.34Å |
| 726 | M | 92.5 | Very high | 92.4 | Very high | 108 Ų | 108 | 107.7 Ų | 107.7 | 53% | 0.532 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 178 | -171 | 165.1 | 68 | 0 | 0 | 112.2 | R722 Y723 R724 A729 L730 | R722-M726 WeakPolarHBondContact O-CB 3.43Å; R722-M726 PolarHBondContact O-N 3.24Å; Y723-M726 HydrophobicContact CD2-CE 4.16Å; Y723-M726 PolarHBondContact O-N 3.44Å; R724-M726 PolarHBondContact O-N 3.09Å; M726-A729 PolarHBondContact O-N 3Å; M726-L730 WeakPolarHBondContact O-CG 3.3Å; M726-L730 PolarHBondContact O-N 2.94Å |
| 727 | R | 93.3 | Very high | 91.8 | Very high | 142 Ų | 142 | 114.2 Ų | 114.2 | 54% | 0.536 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 174.6 | -76.2 | -174.2 | 68.4 | -172.1 | 4.9 | 112.2 | Y723 R724 A729 L730 I731 | Y723-R727 HydrophobicContact CD1-CG 4.45Å; Y723-R727 HydrophobicContact CE1-CG 4.09Å; Y723-R727 HydrophobicContact CE2-CG 4.21Å; Y723-R727 PolarHBondContact O-N 2.89Å; R724-R727 PolarHBondContact O-N 3.08Å; R727-A729 VanDerWaalsContact C-N 3.35Å; R727-A729 PolarHBondContact O-N 3.39Å; R727-L730 PolarHBondContact O-N 3.45Å; R727-I731 WeakPolarHBondContact O-CG1 3.41Å; R727-I731 PolarHBondContact O-N 2.91Å |
| 728 | A | 92.2 | Very high | 91.4 | Very high | 50 Ų | 50 | 120.9 Ų | 120.9 | 41% | 0.413 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.2 | -45.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | R724 R725 L730 I731 I732 | R724-A728 PolarHBondContact O-N 3.42Å; R725-A728 PolarHBondContact O-N 2.88Å; A728-L730 VanDerWaalsContact C-N 3.33Å; A728-L730 PolarHBondContact O-N 2.72Å; A728-I731 PolarHBondContact O-N 2.83Å; A728-I731 VanDerWaalsContact O-N 3.16Å; A728-I732 WeakPolarHBondContact O-CG1 3.47Å; A728-I732 PolarHBondContact O-N 2.96Å |
| 729 | A | 91.4 | Very high | 91 | Very high | 55 Ų | 55 | 123.6 Ų | 123.6 | 46% | 0.455 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -59 | -41.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R725 M726 R727 I732 L733 | R725-A729 WeakPolarHBondContact O-CB 3.37Å; R725-A729 PolarHBondContact O-N 3.34Å; M726-A729 PolarHBondContact O-N 3Å; R727-A729 VanDerWaalsContact C-N 3.35Å; R727-A729 PolarHBondContact O-N 3.39Å; A729-I732 PolarHBondContact O-N 3.29Å; A729-L733 VanDerWaalsContact O-CB 3.28Å; A729-L733 WeakPolarHBondContact O-CB 3.39Å; A729-L733 PolarHBondContact O-N 2.91Å |
| 730 | L | 92.5 | Very high | 90.6 | Very high | 90 Ų | 90 | 125.2 Ų | 125.2 | 47% | 0.471 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65 | -38.3 | 176.1 | -72.2 | 173.1 | 0 | 0 | 0 | 112.7 | M726 R727 A728 L733 R734 | M726-L730 WeakPolarHBondContact O-CG 3.3Å; M726-L730 PolarHBondContact O-N 2.94Å; R727-L730 PolarHBondContact O-N 3.45Å; A728-L730 VanDerWaalsContact C-N 3.33Å; A728-L730 PolarHBondContact O-N 2.72Å; L730-L733 PolarHBondContact O-N 3.36Å; L730-R734 WeakPolarHBondContact O-CB 3.34Å; L730-R734 WeakPolarHBondContact O-CG 3.35Å; L730-R734 PolarHBondContact O-N 2.82Å |
| 731 | I | 92 | Very high | 90.1 | Very high | 109 Ų | 109 | 120.4 Ų | 120.4 | 56% | 0.559 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.8 | -47.5 | 175.8 | -67.4 | 166.8 | 0 | 0 | 0 | 110.2 | R727 A728 L733 R734 A735 | R727-I731 WeakPolarHBondContact O-CG1 3.41Å; R727-I731 PolarHBondContact O-N 2.91Å; A728-I731 PolarHBondContact O-N 2.83Å; A728-I731 VanDerWaalsContact O-N 3.16Å; I731-L733 VanDerWaalsContact C-N 3.33Å; I731-L733 PolarHBondContact O-N 3.39Å; I731-R734 PolarHBondContact O-N 3.3Å; I731-A735 PolarHBondContact O-N 2.94Å |
| 732 | I | 91.6 | Very high | 89.7 | Confident | 117 Ų | 117 | 122.5 Ų | 122.5 | 60% | 0.6 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -58.9 | -46.2 | 176.4 | -66.5 | 166.2 | 0 | 0 | 0 | 110.2 | A728 A729 R734 A735 Y736 | A728-I732 WeakPolarHBondContact O-CG1 3.47Å; A728-I732 PolarHBondContact O-N 2.96Å; A729-I732 PolarHBondContact O-N 3.29Å; I732-R734 VanDerWaalsContact C-N 3.34Å; I732-R734 PolarHBondContact O-N 3.22Å; I732-A735 PolarHBondContact O-N 2.81Å; I732-Y736 WeakPolarHBondContact O-CB 3.48Å; I732-Y736 PolarHBondContact O-N 2.91Å |
| 733 | L | 89.4 | Confident | 89.4 | Confident | 75 Ų | 75 | 115 Ų | 115 | 39% | 0.393 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 178.3 | -173.9 | 68.3 | 0 | 0 | 0 | 111.9 | A729 L730 I731 Y736 R737 | A729-L733 VanDerWaalsContact O-CB 3.28Å; A729-L733 WeakPolarHBondContact O-CB 3.39Å; A729-L733 PolarHBondContact O-N 2.91Å; L730-L733 PolarHBondContact O-N 3.36Å; I731-L733 VanDerWaalsContact C-N 3.33Å; I731-L733 PolarHBondContact O-N 3.39Å; L733-Y736 PolarHBondContact O-N 2.81Å; L733-R737 WeakPolarHBondContact O-CB 3.35Å; L733-R737 VanDerWaalsContact O-CG 3.27Å; L733-R737 WeakPolarHBondContact O-CG 3.37Å; L733-R737 PolarHBondContact O-N 2.95Å |
| 734 | R | 87.6 | Confident | 89 | Confident | 170 Ų | 170 | 109.3 Ų | 109.3 | 64% | 0.642 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.8 | -44.8 | 175.2 | -77.3 | 176.9 | -178.5 | -174 | 0.6 | 111.6 | L730 I731 I732 R737 R738 | L730-R734 WeakPolarHBondContact O-CB 3.34Å; L730-R734 WeakPolarHBondContact O-CG 3.35Å; L730-R734 PolarHBondContact O-N 2.82Å; I731-R734 PolarHBondContact O-N 3.3Å; I732-R734 VanDerWaalsContact C-N 3.34Å; I732-R734 PolarHBondContact O-N 3.22Å; R734-R737 PolarHBondContact O-N 3.19Å; R734-R738 WeakPolarHBondContact O-CG 3.47Å; R734-R738 PolarHBondContact O-N 2.88Å; R734-R738 VanDerWaalsContact O-N 3.11Å |
| 735 | A | 88.7 | Confident | 88.6 | Confident | 59 Ų | 59 | 104.3 Ų | 104.3 | 49% | 0.488 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.2 | -45.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I731 I732 R737 R738 Y739 | I731-A735 PolarHBondContact O-N 2.94Å; I732-A735 PolarHBondContact O-N 2.81Å; A735-R737 PolarHBondContact O-N 2.75Å; A735-R738 PolarHBondContact O-N 3.29Å; A735-Y739 PolarHBondContact O-N 3.25Å |
| 736 | Y | 86.8 | Confident | 88.3 | Confident | 128 Ų | 128 | 103.7 Ų | 103.7 | 50% | 0.502 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 176.9 | -176.9 | -99.9 | 0 | 0 | 0 | 112.5 | I732 L733 R738 Y739 K740 | I732-Y736 WeakPolarHBondContact O-CB 3.48Å; I732-Y736 PolarHBondContact O-N 2.91Å; L733-Y736 PolarHBondContact O-N 2.81Å; Y736-R738 PolarHBondContact O-N 2.86Å; Y736-Y739 PolarHBondContact O-N 3.05Å; Y736-K740 HydrophobicContact CD1-CG 4.22Å; Y736-K740 HydrophobicContact CE1-CG 3.74Å; Y736-K740 HydrophobicContact CE2-CG 4.4Å; Y736-K740 VanDerWaalsContact CZ-CE 3.44Å; Y736-K740 PolarHBondContact O-N 3.3Å; Y736-K740 WeakPolarHBondContact OH-CE 3.35Å |
| 737 | R | 84.2 | Confident | 87.9 | Confident | 164 Ų | 164 | 100.7 Ų | 100.7 | 62% | 0.619 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -58 | -46 | 175.2 | -76.2 | 175.8 | -178.5 | -170.9 | 1.7 | 111.5 | L733 R734 A735 K740 V741 | L733-R737 WeakPolarHBondContact O-CB 3.35Å; L733-R737 VanDerWaalsContact O-CG 3.27Å; L733-R737 WeakPolarHBondContact O-CG 3.37Å; L733-R737 PolarHBondContact O-N 2.95Å; R734-R737 PolarHBondContact O-N 3.19Å; A735-R737 PolarHBondContact O-N 2.75Å; R737-K740 PolarHBondContact O-N 3.45Å; R737-V741 WeakPolarHBondContact O-CG2 3.47Å; R737-V741 PolarHBondContact O-N 3.21Å; R737-V741 VanDerWaalsContact O-N 3.15Å |
| 738 | R | 86.1 | Confident | 87.5 | Confident | 180 Ų | 180 | 95.1 Ų | 95.1 | 68% | 0.679 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -62.3 | -43.6 | 175.8 | -69.7 | -176 | -158.2 | 166.8 | 3.3 | 111.9 | R734 A735 Y736 V741 K742 | R734-R738 WeakPolarHBondContact O-CG 3.47Å; R734-R738 PolarHBondContact O-N 2.88Å; R734-R738 VanDerWaalsContact O-N 3.11Å; A735-R738 PolarHBondContact O-N 3.29Å; Y736-R738 PolarHBondContact O-N 2.86Å; R738-V741 PolarHBondContact O-N 3.03Å; R738-K742 PolarHBondContact O-N 3.27Å |
| 739 | Y | 86.9 | Confident | 87.2 | Confident | 139 Ų | 139 | 98.1 Ų | 98.1 | 55% | 0.545 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.3 | -47.6 | 177.3 | 169.9 | -97.7 | 0 | 0 | 0 | 111.8 | A735 Y736 V741 K742 S743 | A735-Y739 PolarHBondContact O-N 3.25Å; Y736-Y739 PolarHBondContact O-N 3.05Å; Y739-V741 VanDerWaalsContact C-N 3.33Å; Y739-V741 PolarHBondContact O-N 3.33Å; Y739-K742 PolarHBondContact O-N 3.11Å; Y739-S743 VanDerWaalsContact O-CB 3.29Å; Y739-S743 WeakPolarHBondContact O-CB 3.34Å; Y739-S743 PolarHBondContact O-N 3.34Å |
| 740 | K | 84.8 | Confident | 86.8 | Confident | 93 Ų | 93 | 103.8 Ų | 103.8 | 40% | 0.404 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.2 | -41.5 | 178.2 | -82.4 | -69.9 | -172.4 | -179.1 | 0 | 112.7 | Y736 R737 Y744 | Y736-K740 HydrophobicContact CD1-CG 4.22Å; Y736-K740 HydrophobicContact CE1-CG 3.74Å; Y736-K740 HydrophobicContact CE2-CG 4.4Å; Y736-K740 VanDerWaalsContact CZ-CE 3.44Å; Y736-K740 PolarHBondContact O-N 3.3Å; Y736-K740 WeakPolarHBondContact OH-CE 3.35Å; R737-K740 PolarHBondContact O-N 3.45Å; K740-Y744 WeakPolarHBondContact O-CB 3.09Å; K740-Y744 PolarHBondContact O-N 3.27Å |
| 741 | V | 85.3 | Confident | 86.3 | Confident | 48 Ų | 48 | 103.9 Ų | 103.9 | 29% | 0.291 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.9 | -49.7 | 174.4 | 167.1 | 0 | 0 | 0 | 0 | 111 | R737 R738 Y739 S743 Y744 I745 L774 | R737-V741 WeakPolarHBondContact O-CG2 3.47Å; R737-V741 PolarHBondContact O-N 3.21Å; R737-V741 VanDerWaalsContact O-N 3.15Å; R738-V741 PolarHBondContact O-N 3.03Å; Y739-V741 VanDerWaalsContact C-N 3.33Å; Y739-V741 PolarHBondContact O-N 3.33Å; V741-S743 PolarHBondContact O-N 3.17Å; V741-Y744 PolarHBondContact O-N 2.99Å; V741-I745 HydrophobicContact CG1-CD1 4.13Å; V741-I745 WeakPolarHBondContact O-CG1 3.5Å; V741-I745 PolarHBondContact O-N 3.16Å; V741-I745 VanDerWaalsContact O-N 3.15Å; V741-L774 HydrophobicContact CB-CD1 4.39Å; V741-L774 HydrophobicContact CG1-CD1 4.09Å; V741-L774 HydrophobicContact CG2-CD1 4.21Å |
| 742 | K | 85.8 | Confident | 85.8 | Confident | 131 Ų | 131 | 100.5 Ų | 100.5 | 57% | 0.57 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -62.5 | -42 | 178.5 | -74.4 | -174.2 | 175.8 | -172.8 | 0 | 112.6 | R738 Y739 I745 R746 | R738-K742 PolarHBondContact O-N 3.27Å; Y739-K742 PolarHBondContact O-N 3.11Å; K742-I745 PolarHBondContact O-N 2.92Å; K742-R746 WeakPolarHBondContact O-CG 3.45Å; K742-R746 PolarHBondContact O-N 3.33Å |
| 743 | S | 86.1 | Confident | 85.2 | Confident | 46 Ų | 46 | 102.8 Ų | 102.8 | 32% | 0.322 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 178.5 | 172 | 0 | 0 | 0 | 0 | 111.3 | Y739 V741 R746 E747 | Y739-S743 VanDerWaalsContact O-CB 3.29Å; Y739-S743 WeakPolarHBondContact O-CB 3.34Å; Y739-S743 PolarHBondContact O-N 3.34Å; V741-S743 PolarHBondContact O-N 3.17Å; S743-R746 PolarHBondContact O-N 3.28Å; S743-E747 WeakPolarHBondContact O-CB 3.46Å; S743-E747 PolarHBondContact O-N 3.39Å |
| 744 | Y | 85.7 | Confident | 84.7 | Confident | 13 Ų | 13 | 104 Ų | 104 | 5% | 0.051 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -59 | -49 | 174.7 | 174.7 | -99.7 | 0 | 0 | 0 | 112.1 | K740 V741 R746 E747 V748 P768 P770 P771 L774 E778 | K740-Y744 WeakPolarHBondContact O-CB 3.09Å; K740-Y744 PolarHBondContact O-N 3.27Å; V741-Y744 PolarHBondContact O-N 2.99Å; Y744-R746 VanDerWaalsContact C-N 3.34Å; Y744-R746 PolarHBondContact O-N 3.01Å; Y744-E747 PolarHBondContact O-N 2.76Å; Y744-V748 HydrophobicContact CD1-CG2 4.3Å; Y744-V748 HydrophobicContact CE1-CG2 3.85Å; Y744-V748 HydrophobicContact CE2-CG2 4.06Å; Y744-V748 WeakPolarHBondContact O-CG2 3.35Å; Y744-V748 PolarHBondContact O-N 2.84Å; Y744-P768 HydrophobicContact CD2-CB 4.43Å; Y744-P768 HydrophobicContact CD2-CG 4.2Å; Y744-P768 HydrophobicContact CE2-CB 4.16Å; Y744-P768 HydrophobicContact CE2-CG 3.74Å; Y744-P768 WeakPolarHBondContact CE2-O 3.39Å; Y744-P770 VanDerWaalsContact CE2-CA 3.48Å; Y744-P770 HydrophobicContact CE2-CB 4.03Å; Y744-P771 HydrophobicContact CG-CG 4.43Å; Y744-L774 HydrophobicContact CD1-CD1 3.51Å; Y744-L774 HydrophobicContact CE1-CB 4.49Å; Y744-L774 HydrophobicContact CE1-CD1 4.11Å; Y744-L774 HydrophobicContact CG-CD1 4.22Å; Y744-E778 WeakPolarHBondContact OH-CG 3.33Å |
| 745 | I | 84.6 | Confident | 84.3 | Confident | 85 Ų | 85 | 96.2 Ų | 96.2 | 44% | 0.436 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 180 | -65.8 | 169.9 | 0 | 0 | 0 | 111.3 | V741 K742 E747 V748 N749 | V741-I745 HydrophobicContact CG1-CD1 4.13Å; V741-I745 WeakPolarHBondContact O-CG1 3.5Å; V741-I745 PolarHBondContact O-N 3.16Å; V741-I745 VanDerWaalsContact O-N 3.15Å; K742-I745 PolarHBondContact O-N 2.92Å; I745-E747 VanDerWaalsContact C-N 3.32Å; I745-E747 PolarHBondContact O-N 3.45Å; I745-V748 PolarHBondContact O-N 3.2Å; I745-N749 WeakPolarHBondContact O-CB 3.17Å; I745-N749 PolarHBondContact O-N 3.01Å |
| 746 | R | 86.2 | Confident | 83.6 | Confident | 176 Ų | 176 | 103.3 Ų | 103.3 | 66% | 0.664 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -61.4 | -41 | 175.6 | -75 | 179.1 | -176.2 | 171.7 | -1.5 | 112 | K742 S743 Y744 N749 R750 | K742-R746 WeakPolarHBondContact O-CG 3.45Å; K742-R746 PolarHBondContact O-N 3.33Å; S743-R746 PolarHBondContact O-N 3.28Å; Y744-R746 VanDerWaalsContact C-N 3.34Å; Y744-R746 PolarHBondContact O-N 3.01Å; R746-N749 PolarHBondContact O-N 2.66Å; R746-R750 WeakPolarHBondContact O-CB 3.49Å; R746-R750 PolarHBondContact O-N 3.49Å |
| 747 | E | 85.4 | Confident | 82.9 | Confident | 44 Ų | 44 | 102.2 Ų | 102.2 | 21% | 0.206 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -68.1 | -39.7 | 178.6 | -177.5 | 60.8 | -170.2 | 0 | 0 | 112.1 | S743 Y744 I745 R750 R751 P768 | S743-E747 WeakPolarHBondContact O-CB 3.46Å; S743-E747 PolarHBondContact O-N 3.39Å; Y744-E747 PolarHBondContact O-N 2.76Å; I745-E747 VanDerWaalsContact C-N 3.32Å; I745-E747 PolarHBondContact O-N 3.45Å; E747-R750 PolarHBondContact O-N 3.42Å; E747-R750 IonicContact OE1-CZ 2.79Å; E747-R750 IonicContact OE1-NE 2.79Å; E747-R750 IonicContact OE1-NH2 3.23Å; E747-R750 PolarHBondContact OE1-NH2 2.8Å; E747-R750 IonicContact OE2-CZ 3.3Å; E747-R750 IonicContact OE2-NE 3.54Å; E747-R750 PolarHBondContact OE2-NE 3.37Å; E747-R750 IonicContact OE2-NH2 3.53Å; E747-R750 PolarHBondContact OE2-NH2 2.85Å; E747-R750 VanDerWaalsContact OE2-NH2 3.13Å; E747-R751 WeakPolarHBondContact O-CG 3.42Å; E747-R751 PolarHBondContact O-N 3.33Å; E747-R751 IonicContact OE1-CZ 2.91Å; E747-R751 IonicContact OE1-NE 3.35Å; E747-R751 PolarHBondContact OE1-NE 2.89Å; E747-R751 IonicContact OE1-NH2 3.53Å; E747-R751 PolarHBondContact OE1-NH2 3.04Å; E747-R751 VanDerWaalsContact OE1-NH2 3.12Å; E747-P768 HydrophobicContact CG-CB 4.04Å; E747-P768 HydrophobicContact CG-CG 4.27Å |
| 748 | V | 84.6 | Confident | 82.4 | Confident | 25 Ų | 25 | 98.5 Ų | 98.5 | 15% | 0.152 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -59.4 | -49.6 | 171.4 | 174.2 | 0 | 0 | 0 | 0 | 110.1 | Y744 I745 R750 R751 F752 W767 P768 | Y744-V748 HydrophobicContact CD1-CG2 4.3Å; Y744-V748 HydrophobicContact CE1-CG2 3.85Å; Y744-V748 HydrophobicContact CE2-CG2 4.06Å; Y744-V748 WeakPolarHBondContact O-CG2 3.35Å; Y744-V748 PolarHBondContact O-N 2.84Å; I745-V748 PolarHBondContact O-N 3.2Å; V748-R750 VanDerWaalsContact C-N 3.3Å; V748-R750 PolarHBondContact O-N 3.31Å; V748-R751 PolarHBondContact O-N 3.3Å; V748-F752 HydrophobicContact CG1-CD2 4.14Å; V748-F752 WeakPolarHBondContact O-CD2 3.4Å; V748-F752 PolarHBondContact O-N 2.87Å; V748-W767 HydrophobicContact CG1-CZ3 4.24Å; V748-P768 HydrophobicContact CB-CG 4.49Å; V748-P768 HydrophobicContact CG2-CG 3.45Å; V748-P768 VanDerWaalsContact CG2-CG 3.45Å |
| 749 | N | 85 | Confident | 81.5 | Confident | 113 Ų | 113 | 99.6 Ų | 99.6 | 60% | 0.604 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -60.3 | -40.9 | 179.5 | -165.7 | 20.1 | 0 | 0 | 0 | 112 | I745 R746 F752 K753 | I745-N749 WeakPolarHBondContact O-CB 3.17Å; I745-N749 PolarHBondContact O-N 3.01Å; R746-N749 PolarHBondContact O-N 2.66Å; N749-F752 PolarHBondContact O-N 3.4Å; N749-K753 WeakPolarHBondContact O-CB 3.48Å; N749-K753 PolarHBondContact O-N 3.4Å; N749-K753 VanDerWaalsContact O-N 3.08Å |
| 750 | R | 83.8 | Confident | 80.8 | Confident | 174 Ų | 174 | 97.1 Ų | 97.1 | 66% | 0.657 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -61 | -47.1 | 176.7 | -171.2 | -179.9 | 74 | 105 | 1.6 | 112.3 | R746 E747 V748 | R746-R750 WeakPolarHBondContact O-CB 3.49Å; R746-R750 PolarHBondContact O-N 3.49Å; E747-R750 PolarHBondContact O-N 3.42Å; E747-R750 IonicContact OE1-CZ 2.79Å; E747-R750 IonicContact OE1-NE 2.79Å; E747-R750 IonicContact OE1-NH2 3.23Å; E747-R750 PolarHBondContact OE1-NH2 2.8Å; E747-R750 IonicContact OE2-CZ 3.3Å; E747-R750 IonicContact OE2-NE 3.54Å; E747-R750 PolarHBondContact OE2-NE 3.37Å; E747-R750 IonicContact OE2-NH2 3.53Å; E747-R750 PolarHBondContact OE2-NH2 2.85Å; E747-R750 VanDerWaalsContact OE2-NH2 3.13Å; V748-R750 VanDerWaalsContact C-N 3.3Å; V748-R750 PolarHBondContact O-N 3.31Å |
| 751 | R | 82.4 | Confident | 80.2 | Confident | 93 Ų | 93 | 95 Ų | 95 | 35% | 0.351 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -69.4 | -34.5 | -178.5 | -70.2 | -175.4 | -170.8 | -165.1 | 0.4 | 113.1 | E747 V748 V765 K766 | E747-R751 WeakPolarHBondContact O-CG 3.42Å; E747-R751 PolarHBondContact O-N 3.33Å; E747-R751 IonicContact OE1-CZ 2.91Å; E747-R751 IonicContact OE1-NE 3.35Å; E747-R751 PolarHBondContact OE1-NE 2.89Å; E747-R751 IonicContact OE1-NH2 3.53Å; E747-R751 PolarHBondContact OE1-NH2 3.04Å; E747-R751 VanDerWaalsContact OE1-NH2 3.12Å; V748-R751 PolarHBondContact O-N 3.3Å; R751-V765 HydrophobicContact CB-CG1 4.17Å; R751-K766 WeakPolarHBondContact CD-O 3.49Å; R751-K766 PolarHBondContact NH1-O 3.48Å |
| 752 | F | 80.6 | Confident | 79.5 | Confident | 38 Ų | 38 | 92.8 Ų | 92.8 | 17% | 0.167 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -96 | -1.1 | -174.2 | -75.2 | -94.1 | 0 | 0 | 0 | 114.5 | V748 N749 N754 V755 V765 W767 Y785 | V748-F752 HydrophobicContact CG1-CD2 4.14Å; V748-F752 WeakPolarHBondContact O-CD2 3.4Å; V748-F752 PolarHBondContact O-N 2.87Å; N749-F752 PolarHBondContact O-N 3.4Å; F752-N754 VanDerWaalsContact C-N 3.32Å; F752-N754 PolarHBondContact O-N 2.98Å; F752-V755 HydrophobicContact CB-CG2 4.27Å; F752-V755 HydrophobicContact CD1-CB 4.48Å; F752-V755 HydrophobicContact CD1-CG2 3.77Å; F752-V755 HydrophobicContact CE1-CG2 4.43Å; F752-V755 HydrophobicContact CG-CG2 4.28Å; F752-V755 PolarHBondContact O-N 2.92Å; F752-V765 HydrophobicContact CD2-CG1 4.42Å; F752-V765 HydrophobicContact CE1-CB 4.47Å; F752-V765 HydrophobicContact CE1-CG1 4.22Å; F752-V765 HydrophobicContact CE2-CG1 3.95Å; F752-V765 HydrophobicContact CZ-CB 4.35Å; F752-V765 HydrophobicContact CZ-CG1 3.82Å; F752-W767 AromaticContact CE1-CE2 3.93Å; F752-W767 AromaticContact CE1-CZ2 3.85Å; F752-W767 HydrophobicContact CE1-CZ2 3.85Å; F752-W767 AromaticContact CE2-CD2 3.92Å; F752-W767 HydrophobicContact CE2-CD2 3.92Å; F752-W767 AromaticContact CE2-CE2 3.99Å; F752-W767 HydrophobicContact CE2-CE3 4.18Å; F752-W767 HydrophobicContact CE2-CG 4.3Å; F752-W767 HydrophobicContact CE2-CZ2 4.3Å; F752-W767 HydrophobicContact CE2-CZ3 4.48Å; F752-W767 AromaticContact CZ-CD1 3.85Å; F752-W767 AromaticContact CZ-CD2 3.71Å; F752-W767 HydrophobicContact CZ-CD2 3.71Å; F752-W767 AromaticContact CZ-CE2 3.32Å; F752-W767 HydrophobicContact CZ-CE3 4.34Å; F752-W767 HydrophobicContact CZ-CG 4.02Å; F752-W767 HydrophobicContact CZ-CH2 4.3Å; F752-W767 AromaticContact CZ-CZ2 3.67Å; F752-W767 HydrophobicContact CZ-CZ2 3.67Å; F752-W767 AromaticContact CZ-NE1 3.44Å; F752-Y785 HydrophobicContact CE1-CE2 4.45Å |
| 753 | K | 79.9 | Confident | 78.9 | Confident | 165 Ų | 165 | 95 Ų | 95 | 72% | 0.717 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -40.6 | -176.1 | -165.3 | 177.8 | 179.7 | -175 | 0 | 114.2 | N749 | N749-K753 WeakPolarHBondContact O-CB 3.48Å; N749-K753 PolarHBondContact O-N 3.4Å; N749-K753 VanDerWaalsContact O-N 3.08Å |
| 754 | N | 79.3 | Confident | 78.5 | Confident | 99 Ų | 99 | 99 Ų | 99 | 53% | 0.529 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 14.7 | -173.1 | -64 | -13.1 | 0 | 0 | 0 | 113.4 | F752 R756 S757 | F752-N754 VanDerWaalsContact C-N 3.32Å; F752-N754 PolarHBondContact O-N 2.98Å; N754-R756 PolarHBondContact O-N 2.99Å; N754-S757 PolarHBondContact O-N 2.9Å; N754-S757 PolarHBondContact O-OG 3.16Å |
| 755 | V | 78.5 | Confident | 78.2 | Confident | 8 Ų | 8 | 99.9 Ų | 99.9 | 5% | 0.048 | 45% | 0.454 | C | S | . | . | G | 310 helix | trans | -64.7 | -29 | -172.6 | 161.7 | 0 | 0 | 0 | 0 | 112.9 | F752 S757 H761 V765 Y785 W788 | F752-V755 HydrophobicContact CB-CG2 4.27Å; F752-V755 HydrophobicContact CD1-CB 4.48Å; F752-V755 HydrophobicContact CD1-CG2 3.77Å; F752-V755 HydrophobicContact CE1-CG2 4.43Å; F752-V755 HydrophobicContact CG-CG2 4.28Å; F752-V755 PolarHBondContact O-N 2.92Å; V755-S757 VanDerWaalsContact C-N 3.33Å; V755-S757 PolarHBondContact O-N 2.85Å; V755-H761 VanDerWaalsContact CG1-O 3.29Å; V755-H761 WeakPolarHBondContact CG1-O 3.34Å; V755-V765 HydrophobicContact CG2-CG2 4.1Å; V755-Y785 HydrophobicContact CG1-CE2 3.8Å; V755-W788 HydrophobicContact CG1-CZ3 4.23Å |
| 756 | R | 72.9 | Confident | 78 | Confident | 208 Ų | 208 | 104.1 Ų | 104.1 | 79% | 0.785 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -67.7 | -29.4 | 179.8 | -171.4 | 171.8 | 179.5 | 176.3 | -1.7 | 113.7 | N754 W788 | N754-R756 PolarHBondContact O-N 2.99Å; R756-W788 HydrophobicContact CG-CZ2 4.24Å |
| 757 | S | 72.8 | Confident | 77.7 | Confident | 105 Ų | 105 | 98.2 Ų | 98.2 | 73% | 0.734 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -93.3 | -5.5 | -177.4 | 53.8 | 0 | 0 | 0 | 0 | 114.1 | N754 V755 | N754-S757 PolarHBondContact O-N 2.9Å; N754-S757 PolarHBondContact O-OG 3.16Å; V755-S757 VanDerWaalsContact C-N 3.33Å; V755-S757 PolarHBondContact O-N 2.85Å |
| 758 | M | 74.8 | Confident | 77.7 | Confident | 85 Ų | 85 | 96.7 Ų | 96.7 | 42% | 0.419 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -76.5 | 142 | 176.3 | -68.7 | -178.5 | 174.8 | 0 | 0 | 111.3 | D760 H761 V765 | M758-D760 PolarHBondContact O-N 3.21Å; M758-H761 PolarHBondContact O-N 3.11Å; M758-V765 HydrophobicContact SD-CG2 4.22Å |
| 759 | K | 67 | Low | 77.5 | Confident | 204 Ų | 204 | 101.8 Ų | 101.8 | 89% | 0.887 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -34.5 | 176.9 | -69.3 | -174.1 | 176.9 | -177.3 | 0 | 113.1 | H761 | K759-H761 VanDerWaalsContact C-N 3.34Š|
| 760 | D | 71.8 | Confident | 77.3 | Confident | 86 Ų | 86 | 97.7 Ų | 97.7 | 46% | 0.46 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 6.7 | -179.8 | -56.3 | -20.5 | 0 | 0 | 0 | 113.5 | M758 G762 R763 H764 W789 | M758-D760 PolarHBondContact O-N 3.21Å; D760-G762 PolarHBondContact O-N 2.99Å; D760-R763 HydrophobicContact CB-CB 4.44Å; D760-R763 PolarHBondContact O-N 3.14Å; D760-H764 IonicContact OD2-CE1 3.3Å; D760-H764 PolarHBondContact OD2-CE1 3.27Å; D760-H764 IonicContact OD2-ND1 2.67Å; D760-H764 PolarHBondContact OD2-ND1 3.38Å; D760-W789 PolarHBondContact O-NE1 2.92Å |
| 761 | H | 72.4 | Confident | 77.1 | Confident | 48 Ų | 48 | 91.3 Ų | 91.3 | 22% | 0.222 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | 31.9 | -173.7 | -61.1 | -59.4 | 0 | 0 | 0 | 114.2 | V755 M758 K759 Y785 W788 | V755-H761 VanDerWaalsContact CG1-O 3.29Å; V755-H761 WeakPolarHBondContact CG1-O 3.34Å; M758-H761 PolarHBondContact O-N 3.11Å; K759-H761 VanDerWaalsContact C-N 3.34Å; H761-Y785 PolarHBondContact O-OH 3.19Å; H761-W788 HydrophobicContact CB-CH2 4.28Å; H761-W788 HydrophobicContact CB-CZ3 4.27Å |
| 762 | G | 69.4 | Low | 76.9 | Confident | 3 Ų | 3 | 95.3 Ų | 95.3 | 3% | 0.031 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | 10.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | D760 H764 V765 Y785 | D760-G762 PolarHBondContact O-N 2.99Å; G762-H764 PolarHBondContact O-N 2.96Å; G762-V765 WeakPolarHBondContact O-CB 3.47Å; G762-V765 PolarHBondContact O-N 3.34Å; G762-Y785 WeakPolarHBondContact CA-OH 3.33Å; G762-Y785 PolarHBondContact O-OH 3.3Å |
| 763 | R | 74.4 | Confident | 76.8 | Confident | 176 Ų | 176 | 99.8 Ų | 99.8 | 66% | 0.664 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | -34.6 | -179.3 | -175 | 179.1 | 179.8 | -136.7 | 1.4 | 114 | D760 Y785 | D760-R763 HydrophobicContact CB-CB 4.44Å; D760-R763 PolarHBondContact O-N 3.14Å; R763-Y785 PolarHBondContact N-OH 2.91Å |
| 764 | H | 77.5 | Confident | 76.8 | Confident | 130 Ų | 130 | 93 Ų | 93 | 60% | 0.602 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -4.2 | -177.4 | -60.5 | 110.2 | 0 | 0 | 0 | 114.2 | D760 G762 K766 | D760-H764 IonicContact OD2-CE1 3.3Å; D760-H764 PolarHBondContact OD2-CE1 3.27Å; D760-H764 IonicContact OD2-ND1 2.67Å; D760-H764 PolarHBondContact OD2-ND1 3.38Å; G762-H764 PolarHBondContact O-N 2.96Å; H764-K766 PolarHBondContact O-N 2.95Å |
| 765 | V | 79.1 | Confident | 76.9 | Confident | 32 Ų | 32 | 95 Ų | 95 | 19% | 0.194 | 45% | 0.454 | C | S | . | . | trans | -75.7 | 115.7 | -177.8 | 179.8 | 0 | 0 | 0 | 0 | 110.3 | R751 F752 V755 M758 G762 W767 | R751-V765 HydrophobicContact CB-CG1 4.17Å; F752-V765 HydrophobicContact CD2-CG1 4.42Å; F752-V765 HydrophobicContact CE1-CB 4.47Å; F752-V765 HydrophobicContact CE1-CG1 4.22Å; F752-V765 HydrophobicContact CE2-CG1 3.95Å; F752-V765 HydrophobicContact CZ-CB 4.35Å; F752-V765 HydrophobicContact CZ-CG1 3.82Å; V755-V765 HydrophobicContact CG2-CG2 4.1Å; M758-V765 HydrophobicContact SD-CG2 4.22Å; G762-V765 WeakPolarHBondContact O-CB 3.47Å; G762-V765 PolarHBondContact O-N 3.34Å; V765-W767 PolarHBondContact O-N 3.5Å | ||
| 766 | K | 80.1 | Confident | 77 | Confident | 174 Ų | 174 | 103.1 Ų | 103.1 | 76% | 0.757 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -75.1 | 123.3 | 177.8 | -68 | -176.6 | -179.6 | 178.2 | 0 | 111.3 | R751 H764 | R751-K766 WeakPolarHBondContact CD-O 3.49Å; R751-K766 PolarHBondContact NH1-O 3.48Å; H764-K766 PolarHBondContact O-N 2.95Å |
| 767 | W | 80.8 | Confident | 77.5 | Confident | 53 Ų | 53 | 98.3 Ų | 98.3 | 20% | 0.201 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 136.3 | 170.5 | -70.5 | 76.1 | 0 | 0 | 0 | 110.6 | V748 F752 V765 E778 M781 K782 Y785 | V748-W767 HydrophobicContact CG1-CZ3 4.24Å; F752-W767 AromaticContact CE1-CE2 3.93Å; F752-W767 AromaticContact CE1-CZ2 3.85Å; F752-W767 HydrophobicContact CE1-CZ2 3.85Å; F752-W767 AromaticContact CE2-CD2 3.92Å; F752-W767 HydrophobicContact CE2-CD2 3.92Å; F752-W767 AromaticContact CE2-CE2 3.99Å; F752-W767 HydrophobicContact CE2-CE3 4.18Å; F752-W767 HydrophobicContact CE2-CG 4.3Å; F752-W767 HydrophobicContact CE2-CZ2 4.3Å; F752-W767 HydrophobicContact CE2-CZ3 4.48Å; F752-W767 AromaticContact CZ-CD1 3.85Å; F752-W767 AromaticContact CZ-CD2 3.71Å; F752-W767 HydrophobicContact CZ-CD2 3.71Å; F752-W767 AromaticContact CZ-CE2 3.32Å; F752-W767 HydrophobicContact CZ-CE3 4.34Å; F752-W767 HydrophobicContact CZ-CG 4.02Å; F752-W767 HydrophobicContact CZ-CH2 4.3Å; F752-W767 AromaticContact CZ-CZ2 3.67Å; F752-W767 HydrophobicContact CZ-CZ2 3.67Å; F752-W767 AromaticContact CZ-NE1 3.44Å; V765-W767 PolarHBondContact O-N 3.5Å; W767-E778 HydrophobicContact CE3-CG 4Å; W767-E778 HydrophobicContact CZ3-CG 4.46Å; W767-M781 HydrophobicContact CH2-CB 3.91Å; W767-M781 HydrophobicContact CZ3-CB 4.06Å; W767-K782 HydrophobicContact CD2-CD 4.44Å; W767-K782 HydrophobicContact CD2-CG 3.9Å; W767-K782 HydrophobicContact CE3-CG 4.29Å; W767-K782 HydrophobicContact CG-CG 4.43Å; W767-K782 HydrophobicContact CH2-CG 4.2Å; W767-K782 HydrophobicContact CZ2-CG 3.77Å; W767-K782 HydrophobicContact CZ3-CG 4.43Å; W767-Y785 HydrophobicContact CZ2-CD1 4.43Å; W767-Y785 HydrophobicContact CZ2-CG 4.32Å |
| 768 | P | 83.7 | Confident | 78 | Confident | 11 Ų | 11 | 94.1 Ų | 94.1 | 7% | 0.071 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 155 | 175.1 | 28.2 | -30.7 | 0 | 0 | 0 | 110.9 | Y744 E747 V748 | Y744-P768 HydrophobicContact CD2-CB 4.43Å; Y744-P768 HydrophobicContact CD2-CG 4.2Å; Y744-P768 HydrophobicContact CE2-CB 4.16Å; Y744-P768 HydrophobicContact CE2-CG 3.74Å; Y744-P768 WeakPolarHBondContact CE2-O 3.39Å; E747-P768 HydrophobicContact CG-CB 4.04Å; E747-P768 HydrophobicContact CG-CG 4.27Å; V748-P768 HydrophobicContact CB-CG 4.49Å; V748-P768 HydrophobicContact CG2-CG 3.45Å; V748-P768 VanDerWaalsContact CG2-CG 3.45Å |
| 769 | T | 81 | Confident | 78.5 | Confident | 133 Ų | 133 | 96 Ų | 96 | 82% | 0.816 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 124.2 | -178.9 | -43.1 | 0 | 0 | 0 | 0 | 111.1 | ||
| 770 | P | 80.8 | Confident | 79.4 | Confident | 27 Ų | 27 | 88.7 Ų | 88.7 | 18% | 0.175 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 143.9 | -176.3 | 35.3 | -42.7 | 0 | 0 | 0 | 112.1 | Y744 R775 E778 | Y744-P770 VanDerWaalsContact CE2-CA 3.48Å; Y744-P770 HydrophobicContact CE2-CB 4.03Å; P770-R775 HydrophobicContact CG-CG 3.96Å; P770-E778 WeakPolarHBondContact CB-OE2 3.36Å; P770-E778 WeakPolarHBondContact CD-OE2 3.38Å; P770-E778 WeakPolarHBondContact CG-OE2 3.2Å |
| 771 | P | 79.4 | Confident | 80 | Confident | 39 Ų | 39 | 88 Ų | 88 | 25% | 0.253 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -55 | 144.1 | 156.1 | -21.4 | 32.3 | 0 | 0 | 0 | 110.2 | Y744 V773 L774 | Y744-P771 HydrophobicContact CG-CG 4.43Å; P771-V773 PolarHBondContact O-N 3.26Å; P771-L774 HydrophobicContact CG-CD1 4.23Å; P771-L774 PolarHBondContact O-N 2.96Å |
| 772 | K | 78.3 | Confident | 80.6 | Confident | 178 Ų | 178 | 89.2 Ų | 89.2 | 77% | 0.774 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -48.8 | -36.9 | -177.1 | -70.6 | -175.4 | 178.6 | -178.2 | 0 | 113.8 | L774 | K772-L774 VanDerWaalsContact C-N 3.25Å; K772-L774 PolarHBondContact O-N 3.36Å |
| 773 | V | 78.2 | Confident | 81.4 | Confident | 131 Ų | 131 | 91.6 Ų | 91.6 | 79% | 0.794 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -65.6 | -25.6 | -179.6 | -174.6 | 0 | 0 | 0 | 0 | 112.8 | P771 | P771-V773 PolarHBondContact O-N 3.26Š|
| 774 | L | 80.7 | Confident | 81.9 | Confident | 23 Ų | 23 | 88.1 Ų | 88.1 | 12% | 0.12 | 44% | 0.437 | C | S | . | . | G | 310 helix | trans | -103 | 6.9 | -173.8 | -63.4 | 179 | 0 | 0 | 0 | 114.2 | V741 Y744 P771 K772 K776 F777 E778 | V741-L774 HydrophobicContact CB-CD1 4.39Å; V741-L774 HydrophobicContact CG1-CD1 4.09Å; V741-L774 HydrophobicContact CG2-CD1 4.21Å; Y744-L774 HydrophobicContact CD1-CD1 3.51Å; Y744-L774 HydrophobicContact CE1-CB 4.49Å; Y744-L774 HydrophobicContact CE1-CD1 4.11Å; Y744-L774 HydrophobicContact CG-CD1 4.22Å; P771-L774 HydrophobicContact CG-CD1 4.23Å; P771-L774 PolarHBondContact O-N 2.96Å; K772-L774 VanDerWaalsContact C-N 3.25Å; K772-L774 PolarHBondContact O-N 3.36Å; L774-K776 PolarHBondContact O-N 3.48Å; L774-F777 WeakPolarHBondContact O-CB 3.43Å; L774-F777 PolarHBondContact O-N 3.37Å; L774-F777 VanDerWaalsContact O-N 3.17Å; L774-E778 PolarHBondContact O-N 3Å |
| 775 | R | 81.1 | Confident | 82.3 | Confident | 141 Ų | 141 | 83.4 Ų | 83.4 | 53% | 0.532 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58 | -49.5 | -179.7 | -74.2 | -175.8 | -178.1 | -179.5 | -1.9 | 112.9 | P770 F777 E778 E779 | P770-R775 HydrophobicContact CG-CG 3.96Å; R775-F777 PolarHBondContact O-N 2.98Å; R775-E778 PolarHBondContact O-N 3.33Å; R775-E778 VanDerWaalsContact O-N 3.11Å; R775-E779 WeakPolarHBondContact O-CG 3.31Å; R775-E779 PolarHBondContact O-N 3.3Å |
| 776 | K | 82 | Confident | 82.5 | Confident | 178 Ų | 178 | 86.1 Ų | 86.1 | 77% | 0.774 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -58.6 | -36.4 | 177 | -67.4 | -171.3 | 177.1 | -174 | 0 | 112.4 | L774 A780 | L774-K776 PolarHBondContact O-N 3.48Å; K776-A780 PolarHBondContact O-N 3.43Å |
| 777 | F | 82.7 | Confident | 82.7 | Confident | 107 Ų | 107 | 86.6 Ų | 86.6 | 47% | 0.469 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -69 | -42.7 | 177.1 | 177 | -98.8 | 0 | 0 | 0 | 111.6 | L774 R775 A780 M781 | L774-F777 WeakPolarHBondContact O-CB 3.43Å; L774-F777 PolarHBondContact O-N 3.37Å; L774-F777 VanDerWaalsContact O-N 3.17Å; R775-F777 PolarHBondContact O-N 2.98Å; F777-A780 PolarHBondContact O-N 3.15Å; F777-M781 HydrophobicContact CD1-CG 4.31Å; F777-M781 HydrophobicContact CE1-CG 3.86Å; F777-M781 HydrophobicContact CE2-CG 4.17Å; F777-M781 HydrophobicContact CE2-SD 4.41Å; F777-M781 HydrophobicContact CZ-CG 3.78Å; F777-M781 HydrophobicContact CZ-SD 4.12Å; F777-M781 WeakPolarHBondContact O-CG 3.18Å; F777-M781 PolarHBondContact O-N 2.94Å |
| 778 | E | 83.6 | Confident | 82.8 | Confident | 17 Ų | 17 | 87.9 Ų | 87.9 | 8% | 0.079 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 175.8 | -170.4 | -168 | 178.3 | 0 | 0 | 112.1 | Y744 W767 P770 L774 R775 A780 M781 K782 | Y744-E778 WeakPolarHBondContact OH-CG 3.33Å; W767-E778 HydrophobicContact CE3-CG 4Å; W767-E778 HydrophobicContact CZ3-CG 4.46Å; P770-E778 WeakPolarHBondContact CB-OE2 3.36Å; P770-E778 WeakPolarHBondContact CD-OE2 3.38Å; P770-E778 WeakPolarHBondContact CG-OE2 3.2Å; L774-E778 PolarHBondContact O-N 3Å; R775-E778 PolarHBondContact O-N 3.33Å; R775-E778 VanDerWaalsContact O-N 3.11Å; E778-A780 PolarHBondContact O-N 2.9Å; E778-M781 PolarHBondContact O-N 3.41Å; E778-K782 HydrophobicContact CG-CD 4.32Å; E778-K782 WeakPolarHBondContact O-CG 2.92Å; E778-K782 PolarHBondContact O-N 3.45Å; E778-K782 WeakPolarHBondContact OE1-CE 3.39Å; E778-K782 IonicContact OE1-NZ 2.76Å; E778-K782 PolarHBondContact OE1-NZ 3.29Å; E778-K782 IonicContact OE2-NZ 3.17Å |
| 779 | E | 84.8 | Confident | 82.7 | Confident | 124 Ų | 124 | 91 Ų | 91 | 58% | 0.579 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -58.2 | -46.1 | 176.7 | -72.8 | 164.9 | -168 | 0 | 0 | 111.9 | R775 K782 S783 | R775-E779 WeakPolarHBondContact O-CG 3.31Å; R775-E779 PolarHBondContact O-N 3.3Å; E779-K782 PolarHBondContact O-N 3.19Å; E779-S783 PolarHBondContact O-N 3.24Å; E779-S783 VanDerWaalsContact O-N 3.08Å |
| 780 | A | 86.1 | Confident | 82.7 | Confident | 51 Ų | 51 | 86.7 Ų | 86.7 | 42% | 0.421 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62 | -45.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | K776 F777 E778 K782 S783 I784 | K776-A780 PolarHBondContact O-N 3.43Å; F777-A780 PolarHBondContact O-N 3.15Å; E778-A780 PolarHBondContact O-N 2.9Å; A780-K782 PolarHBondContact O-N 3.05Å; A780-S783 WeakPolarHBondContact O-CB 3.47Å; A780-S783 PolarHBondContact O-N 3.38Å; A780-I784 WeakPolarHBondContact O-CG1 2.85Å; A780-I784 PolarHBondContact O-N 3.17Å |
| 781 | M | 83.8 | Confident | 82.7 | Confident | 73 Ų | 73 | 92.6 Ų | 92.6 | 36% | 0.36 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.3 | -38.9 | 179.1 | -71.5 | -61.2 | -65.6 | 0 | 0 | 112.6 | W767 F777 E778 I784 Y785 | W767-M781 HydrophobicContact CH2-CB 3.91Å; W767-M781 HydrophobicContact CZ3-CB 4.06Å; F777-M781 HydrophobicContact CD1-CG 4.31Å; F777-M781 HydrophobicContact CE1-CG 3.86Å; F777-M781 HydrophobicContact CE2-CG 4.17Å; F777-M781 HydrophobicContact CE2-SD 4.41Å; F777-M781 HydrophobicContact CZ-CG 3.78Å; F777-M781 HydrophobicContact CZ-SD 4.12Å; F777-M781 WeakPolarHBondContact O-CG 3.18Å; F777-M781 PolarHBondContact O-N 2.94Å; E778-M781 PolarHBondContact O-N 3.41Å; M781-I784 PolarHBondContact O-N 3.5Å; M781-I784 HydrophobicContact SD-CD1 4.46Å; M781-Y785 WeakPolarHBondContact O-CB 3.34Å; M781-Y785 PolarHBondContact O-N 3.42Å |
| 782 | K | 84.8 | Confident | 82.6 | Confident | 73 Ų | 73 | 92.4 Ų | 92.4 | 32% | 0.317 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 173.8 | -78.3 | 176.8 | 179.4 | 167.3 | 0 | 112.1 | W767 E778 E779 A780 Y785 N786 | W767-K782 HydrophobicContact CD2-CD 4.44Å; W767-K782 HydrophobicContact CD2-CG 3.9Å; W767-K782 HydrophobicContact CE3-CG 4.29Å; W767-K782 HydrophobicContact CG-CG 4.43Å; W767-K782 HydrophobicContact CH2-CG 4.2Å; W767-K782 HydrophobicContact CZ2-CG 3.77Å; W767-K782 HydrophobicContact CZ3-CG 4.43Å; E778-K782 HydrophobicContact CG-CD 4.32Å; E778-K782 WeakPolarHBondContact O-CG 2.92Å; E778-K782 PolarHBondContact O-N 3.45Å; E778-K782 WeakPolarHBondContact OE1-CE 3.39Å; E778-K782 IonicContact OE1-NZ 2.76Å; E778-K782 PolarHBondContact OE1-NZ 3.29Å; E778-K782 IonicContact OE2-NZ 3.17Å; E779-K782 PolarHBondContact O-N 3.19Å; A780-K782 PolarHBondContact O-N 3.05Å; K782-Y785 PolarHBondContact O-N 3.17Å; K782-N786 WeakPolarHBondContact O-CB 3.24Å; K782-N786 VanDerWaalsContact O-CG 3.22Å; K782-N786 PolarHBondContact O-N 3Å; K782-N786 PolarHBondContact O-ND2 3.41Å |
| 783 | S | 86.3 | Confident | 82.4 | Confident | 53 Ų | 53 | 88.1 Ų | 88.1 | 37% | 0.371 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.7 | -45.9 | 176.6 | -175.5 | 0 | 0 | 0 | 0 | 111.7 | E779 A780 Y785 N786 R787 | E779-S783 PolarHBondContact O-N 3.24Å; E779-S783 VanDerWaalsContact O-N 3.08Å; A780-S783 WeakPolarHBondContact O-CB 3.47Å; A780-S783 PolarHBondContact O-N 3.38Å; S783-Y785 PolarHBondContact O-N 3.38Å; S783-N786 PolarHBondContact O-N 2.99Å; S783-R787 WeakPolarHBondContact O-CG 3.3Å; S783-R787 PolarHBondContact O-N 2.91Å; S783-R787 VanDerWaalsContact O-N 3.12Å |
| 784 | I | 85.8 | Confident | 82.4 | Confident | 102 Ų | 102 | 87.3 Ų | 87.3 | 52% | 0.523 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61 | -46.5 | 176.3 | -66 | 166.6 | 0 | 0 | 0 | 110.7 | A780 M781 N786 R787 W788 | A780-I784 WeakPolarHBondContact O-CG1 2.85Å; A780-I784 PolarHBondContact O-N 3.17Å; M781-I784 PolarHBondContact O-N 3.5Å; M781-I784 HydrophobicContact SD-CD1 4.46Å; I784-N786 PolarHBondContact O-N 3.46Å; I784-R787 PolarHBondContact O-N 3.38Å; I784-W788 PolarHBondContact O-N 3.45Å |
| 785 | Y | 84.5 | Confident | 82.2 | Confident | 31 Ų | 31 | 93.5 Ų | 93.5 | 12% | 0.122 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -59.2 | -45.7 | 177.8 | 172.2 | -104.8 | 0 | 0 | 0 | 112.4 | F752 V755 H761 G762 R763 W767 M781 K782 S783 R787 W788 W789 | F752-Y785 HydrophobicContact CE1-CE2 4.45Å; V755-Y785 HydrophobicContact CG1-CE2 3.8Å; H761-Y785 PolarHBondContact O-OH 3.19Å; G762-Y785 WeakPolarHBondContact CA-OH 3.33Å; G762-Y785 PolarHBondContact O-OH 3.3Å; R763-Y785 PolarHBondContact N-OH 2.91Å; W767-Y785 HydrophobicContact CZ2-CD1 4.43Å; W767-Y785 HydrophobicContact CZ2-CG 4.32Å; M781-Y785 WeakPolarHBondContact O-CB 3.34Å; M781-Y785 PolarHBondContact O-N 3.42Å; K782-Y785 PolarHBondContact O-N 3.17Å; S783-Y785 PolarHBondContact O-N 3.38Å; Y785-R787 VanDerWaalsContact C-N 3.34Å; Y785-R787 PolarHBondContact O-N 2.94Å; Y785-W788 HydrophobicContact CD2-CE3 4.08Å; Y785-W788 HydrophobicContact CD2-CZ3 4.4Å; Y785-W788 AromaticContact CE2-CE3 3.98Å; Y785-W788 HydrophobicContact CE2-CE3 3.98Å; Y785-W788 AromaticContact CE2-CZ3 3.88Å; Y785-W788 HydrophobicContact CE2-CZ3 3.88Å; Y785-W788 PolarHBondContact O-N 2.93Å; Y785-W789 WeakPolarHBondContact O-CB 3.46Å; Y785-W789 PolarHBondContact O-N 2.85Å |
| 786 | N | 83.3 | Confident | 81.6 | Confident | 90 Ų | 90 | 90.2 Ų | 90.2 | 48% | 0.481 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.9 | -37.5 | 179.7 | -70.6 | -17.9 | 0 | 0 | 0 | 112.6 | K782 S783 I784 W789 A790 | K782-N786 WeakPolarHBondContact O-CB 3.24Å; K782-N786 VanDerWaalsContact O-CG 3.22Å; K782-N786 PolarHBondContact O-N 3Å; K782-N786 PolarHBondContact O-ND2 3.41Å; S783-N786 PolarHBondContact O-N 2.99Å; I784-N786 PolarHBondContact O-N 3.46Å; N786-W789 PolarHBondContact O-N 3.4Å; N786-A790 WeakPolarHBondContact O-CB 3.34Å; N786-A790 PolarHBondContact O-N 3.46Å |
| 787 | R | 84.3 | Confident | 81.3 | Confident | 183 Ų | 183 | 85.1 Ų | 85.1 | 69% | 0.691 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -65.3 | -45.8 | 175.2 | -72.3 | 179.5 | -174.8 | 176.7 | 0.9 | 111.6 | S783 I784 Y785 W789 A790 W791 | S783-R787 WeakPolarHBondContact O-CG 3.3Å; S783-R787 PolarHBondContact O-N 2.91Å; S783-R787 VanDerWaalsContact O-N 3.12Å; I784-R787 PolarHBondContact O-N 3.38Å; Y785-R787 VanDerWaalsContact C-N 3.34Å; Y785-R787 PolarHBondContact O-N 2.94Å; R787-W789 VanDerWaalsContact C-N 3.31Å; R787-W789 PolarHBondContact O-N 3.17Å; R787-A790 PolarHBondContact O-N 3.11Å; R787-W791 WeakPolarHBondContact O-CB 3.15Å; R787-W791 PolarHBondContact O-N 2.67Å |
| 788 | W | 84.4 | Confident | 80.9 | Confident | 81 Ų | 81 | 82.1 Ų | 82.1 | 31% | 0.307 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.2 | -43.4 | 175.5 | 171.9 | 79 | 0 | 0 | 0 | 111.6 | V755 R756 H761 I784 Y785 W791 T792 | V755-W788 HydrophobicContact CG1-CZ3 4.23Å; R756-W788 HydrophobicContact CG-CZ2 4.24Å; H761-W788 HydrophobicContact CB-CH2 4.28Å; H761-W788 HydrophobicContact CB-CZ3 4.27Å; I784-W788 PolarHBondContact O-N 3.45Å; Y785-W788 HydrophobicContact CD2-CE3 4.08Å; Y785-W788 HydrophobicContact CD2-CZ3 4.4Å; Y785-W788 AromaticContact CE2-CE3 3.98Å; Y785-W788 HydrophobicContact CE2-CE3 3.98Å; Y785-W788 AromaticContact CE2-CZ3 3.88Å; Y785-W788 HydrophobicContact CE2-CZ3 3.88Å; Y785-W788 PolarHBondContact O-N 2.93Å; W788-W791 PolarHBondContact O-N 2.93Å; W788-T792 WeakPolarHBondContact O-CB 3.28Å; W788-T792 PolarHBondContact O-N 3.47Å; W788-T792 PolarHBondContact O-OG1 3.18Å |
| 789 | W | 81.8 | Confident | 80.4 | Confident | 77 Ų | 77 | 86.5 Ų | 86.5 | 29% | 0.292 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.9 | -49.6 | 177.7 | -178.3 | 76.4 | 0 | 0 | 0 | 111.8 | D760 Y785 N786 R787 W791 T792 L793 | D760-W789 PolarHBondContact O-NE1 2.92Å; Y785-W789 WeakPolarHBondContact O-CB 3.46Å; Y785-W789 PolarHBondContact O-N 2.85Å; N786-W789 PolarHBondContact O-N 3.4Å; R787-W789 VanDerWaalsContact C-N 3.31Å; R787-W789 PolarHBondContact O-N 3.17Å; W789-W791 PolarHBondContact O-N 3.2Å; W789-T792 PolarHBondContact O-N 3.29Å; W789-L793 HydrophobicContact CD2-CD1 4.09Å; W789-L793 HydrophobicContact CE3-CD1 4.23Å; W789-L793 HydrophobicContact CH2-CD1 3.8Å; W789-L793 HydrophobicContact CZ2-CD1 3.64Å; W789-L793 HydrophobicContact CZ3-CD1 4.09Å; W789-L793 PolarHBondContact O-N 2.64Å |
| 790 | A | 79.5 | Confident | 79.6 | Confident | 42 Ų | 42 | 88.4 Ų | 88.4 | 35% | 0.347 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.1 | -43 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N786 R787 T792 L793 I794 | N786-A790 WeakPolarHBondContact O-CB 3.34Å; N786-A790 PolarHBondContact O-N 3.46Å; R787-A790 PolarHBondContact O-N 3.11Å; A790-T792 VanDerWaalsContact C-N 3.35Å; A790-T792 PolarHBondContact O-N 2.72Å; A790-L793 PolarHBondContact O-N 2.98Å; A790-I794 WeakPolarHBondContact O-CG1 3.35Å; A790-I794 PolarHBondContact O-N 3.29Å |
| 791 | W | 80.6 | Confident | 78.9 | Confident | 151 Ų | 151 | 90.2 Ų | 90.2 | 57% | 0.572 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -64 | -39.9 | 177.5 | 179.5 | 82.1 | 0 | 0 | 0 | 112.4 | R787 W788 W789 L793 I794 K795 | R787-W791 WeakPolarHBondContact O-CB 3.15Å; R787-W791 PolarHBondContact O-N 2.67Å; W788-W791 PolarHBondContact O-N 2.93Å; W789-W791 PolarHBondContact O-N 3.2Å; W791-L793 VanDerWaalsContact C-N 3.27Å; W791-L793 PolarHBondContact O-N 2.78Å; W791-I794 PolarHBondContact O-N 3.47Å; W791-K795 HydrophobicContact CH2-CD 3.76Å; W791-K795 HydrophobicContact CZ2-CD 4.06Å; W791-K795 HydrophobicContact CZ3-CD 4.15Å; W791-K795 PolarHBondContact O-N 2.87Å |
| 792 | T | 78.4 | Confident | 78.5 | Confident | 35 Ų | 35 | 88.7 Ų | 88.7 | 22% | 0.215 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -63 | -36 | -179.9 | -55.7 | 0 | 0 | 0 | 0 | 111.5 | W788 W789 A790 | W788-T792 WeakPolarHBondContact O-CB 3.28Å; W788-T792 PolarHBondContact O-N 3.47Å; W788-T792 PolarHBondContact O-OG1 3.18Å; W789-T792 PolarHBondContact O-N 3.29Å; A790-T792 VanDerWaalsContact C-N 3.35Å; A790-T792 PolarHBondContact O-N 2.72Å |
| 793 | L | 74.6 | Confident | 77.9 | Confident | 88 Ų | 88 | 89.7 Ų | 89.7 | 46% | 0.461 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -70.5 | -41.5 | 175.6 | -68.5 | 173.3 | 0 | 0 | 0 | 112.7 | W789 A790 W791 K795 | W789-L793 HydrophobicContact CD2-CD1 4.09Å; W789-L793 HydrophobicContact CE3-CD1 4.23Å; W789-L793 HydrophobicContact CH2-CD1 3.8Å; W789-L793 HydrophobicContact CZ2-CD1 3.64Å; W789-L793 HydrophobicContact CZ3-CD1 4.09Å; W789-L793 PolarHBondContact O-N 2.64Å; A790-L793 PolarHBondContact O-N 2.98Å; W791-L793 VanDerWaalsContact C-N 3.27Å; W791-L793 PolarHBondContact O-N 2.78Å; L793-K795 VanDerWaalsContact C-N 3.33Å; L793-K795 PolarHBondContact O-N 3.46Å |
| 794 | I | 77.3 | Confident | 77.4 | Confident | 113 Ų | 113 | 89.7 Ų | 89.7 | 58% | 0.579 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -69.9 | -32.4 | -177.6 | -65.9 | 166.8 | 0 | 0 | 0 | 111.6 | A790 W791 G796 L797 | A790-I794 WeakPolarHBondContact O-CG1 3.35Å; A790-I794 PolarHBondContact O-N 3.29Å; W791-I794 PolarHBondContact O-N 3.47Å; I794-G796 PolarHBondContact O-N 3.12Å; I794-L797 PolarHBondContact O-N 2.83Å |
| 795 | K | 75.8 | Confident | 77.1 | Confident | 154 Ų | 154 | 87.9 Ų | 87.9 | 67% | 0.67 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -24 | -176.4 | -170.7 | -178.9 | 177.7 | -172.8 | 0 | 113.9 | W791 L793 | W791-K795 HydrophobicContact CH2-CD 3.76Å; W791-K795 HydrophobicContact CZ2-CD 4.06Å; W791-K795 HydrophobicContact CZ3-CD 4.15Å; W791-K795 PolarHBondContact O-N 2.87Å; L793-K795 VanDerWaalsContact C-N 3.33Å; L793-K795 PolarHBondContact O-N 3.46Å |
| 796 | G | 69.4 | Low | 76.9 | Confident | 71 Ų | 71 | 94 Ų | 94 | 73% | 0.732 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | 0.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | I794 | I794-G796 PolarHBondContact O-N 3.12Š|
| 797 | L | 76.2 | Confident | 76.6 | Confident | 71 Ų | 71 | 90 Ų | 90 | 37% | 0.372 | 45% | 0.452 | S | S | . | . | trans | -89.2 | 144.1 | -172.5 | -66.2 | 168.2 | 0 | 0 | 0 | 113 | I794 E801 V805 | I794-L797 PolarHBondContact O-N 2.83Å; L797-E801 HydrophobicContact CD2-CB 4.44Å; L797-V805 HydrophobicContact CD1-CG2 4.48Å | ||
| 798 | S | 74.4 | Confident | 76.5 | Confident | 44 Ų | 44 | 83.3 Ų | 83.3 | 31% | 0.308 | 43% | 0.427 | S | S | . | . | trans | -73.9 | 163.1 | 173.9 | 70.3 | 0 | 0 | 0 | 0 | 112.5 | E800 E801 T802 | S798-E800 VanDerWaalsContact C-N 3.32Å; S798-E800 PolarHBondContact O-N 2.95Å; S798-E801 VanDerWaalsContact CB-OE2 3.27Å; S798-E801 WeakPolarHBondContact CB-OE2 3.42Å; S798-E801 PolarHBondContact N-OE2 2.96Å; S798-E801 PolarHBondContact O-N 2.87Å; S798-E801 WeakPolarHBondContact OG-CB 3.49Å; S798-E801 WeakPolarHBondContact OG-CG 3.31Å; S798-E801 PolarHBondContact OG-N 2.86Å; S798-E801 PolarHBondContact OG-OE2 3.28Å; S798-T802 WeakPolarHBondContact O-CB 3.45Å; S798-T802 PolarHBondContact O-N 3.12Å; S798-T802 PolarHBondContact O-OG1 3.41Å | ||
| 799 | P | 72.7 | Confident | 76.4 | Confident | 109 Ų | 109 | 82.9 Ų | 82.9 | 71% | 0.708 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -60.2 | -36.2 | 179 | -25.6 | 35.5 | 0 | 0 | 0 | 114.3 | T802 L803 | P799-T802 WeakPolarHBondContact O-CB 3.45Å; P799-T802 PolarHBondContact O-N 3.45Å; P799-L803 PolarHBondContact O-N 3.47Å; P799-L803 VanDerWaalsContact O-N 3.17Å |
| 800 | E | 67.9 | Low | 76.3 | Confident | 164 Ų | 164 | 79.5 Ų | 79.5 | 77% | 0.766 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -71.1 | -45 | 178.8 | -64.9 | -178.8 | 178.6 | 0 | 0 | 111.5 | S798 T802 L803 Q804 | S798-E800 VanDerWaalsContact C-N 3.32Å; S798-E800 PolarHBondContact O-N 2.95Å; E800-T802 PolarHBondContact O-N 2.93Å; E800-L803 PolarHBondContact O-N 2.86Å; E800-Q804 PolarHBondContact O-N 3.38Å |
| 801 | E | 72.3 | Confident | 76.4 | Confident | 89 Ų | 89 | 77.5 Ų | 77.5 | 42% | 0.416 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.7 | -34.1 | 173.7 | -69 | 169.1 | 136 | 0 | 0 | 111.3 | L797 S798 Q804 V805 | L797-E801 HydrophobicContact CD2-CB 4.44Å; S798-E801 VanDerWaalsContact CB-OE2 3.27Å; S798-E801 WeakPolarHBondContact CB-OE2 3.42Å; S798-E801 PolarHBondContact N-OE2 2.96Å; S798-E801 PolarHBondContact O-N 2.87Å; S798-E801 WeakPolarHBondContact OG-CB 3.49Å; S798-E801 WeakPolarHBondContact OG-CG 3.31Å; S798-E801 PolarHBondContact OG-N 2.86Å; S798-E801 PolarHBondContact OG-OE2 3.28Å; E801-Q804 PolarHBondContact O-N 3.39Å; E801-V805 WeakPolarHBondContact O-CB 3.39Å; E801-V805 WeakPolarHBondContact O-CG2 3.26Å; E801-V805 PolarHBondContact O-N 3.07Å |
| 802 | T | 73.8 | Confident | 76.4 | Confident | 42 Ų | 42 | 73.3 Ų | 73.3 | 26% | 0.258 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.9 | -42 | 176.3 | -60.2 | 0 | 0 | 0 | 0 | 111.6 | S798 P799 E800 V805 R806 | S798-T802 WeakPolarHBondContact O-CB 3.45Å; S798-T802 PolarHBondContact O-N 3.12Å; S798-T802 PolarHBondContact O-OG1 3.41Å; P799-T802 WeakPolarHBondContact O-CB 3.45Å; P799-T802 PolarHBondContact O-N 3.45Å; E800-T802 PolarHBondContact O-N 2.93Å; T802-V805 PolarHBondContact O-N 2.82Å; T802-R806 WeakPolarHBondContact O-CB 3.26Å; T802-R806 VanDerWaalsContact O-CG 3.27Å; T802-R806 WeakPolarHBondContact O-CG 3.42Å; T802-R806 PolarHBondContact O-N 2.85Å |
| 803 | L | 73.3 | Confident | 76.5 | Confident | 94 Ų | 94 | 78 Ų | 78 | 49% | 0.492 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.9 | -41.9 | 174.3 | -73.3 | 172.3 | 0 | 0 | 0 | 111.2 | P799 E800 R806 A807 | P799-L803 PolarHBondContact O-N 3.47Å; P799-L803 VanDerWaalsContact O-N 3.17Å; E800-L803 PolarHBondContact O-N 2.86Å; L803-R806 PolarHBondContact O-N 3.44Å; L803-A807 WeakPolarHBondContact O-CB 3.21Å; L803-A807 PolarHBondContact O-N 2.84Å |
| 804 | Q | 75.3 | Confident | 76.6 | Confident | 52 Ų | 52 | 75.4 Ų | 75.4 | 24% | 0.243 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64.7 | -43.2 | 176.8 | -163.7 | -172.1 | 14.1 | 0 | 0 | 112 | E800 E801 R806 A807 K808 R826 | E800-Q804 PolarHBondContact O-N 3.38Å; E801-Q804 PolarHBondContact O-N 3.39Å; Q804-R806 VanDerWaalsContact C-N 3.33Å; Q804-R806 PolarHBondContact O-N 2.79Å; Q804-A807 PolarHBondContact O-N 2.89Å; Q804-K808 HydrophobicContact CG-CD 4.33Å; Q804-K808 WeakPolarHBondContact O-CB 3.24Å; Q804-K808 VanDerWaalsContact O-CG 3.31Å; Q804-K808 WeakPolarHBondContact O-CG 3.26Å; Q804-K808 PolarHBondContact O-N 3.48Å; Q804-R826 PolarHBondContact NE2-O 3.41Å |
| 805 | V | 79 | Confident | 76.7 | Confident | 65 Ų | 65 | 70 Ų | 70 | 39% | 0.394 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63 | -40.7 | 175.9 | 169.2 | 0 | 0 | 0 | 0 | 110.2 | L797 E801 T802 A807 K808 V809 | L797-V805 HydrophobicContact CD1-CG2 4.48Å; E801-V805 WeakPolarHBondContact O-CB 3.39Å; E801-V805 WeakPolarHBondContact O-CG2 3.26Å; E801-V805 PolarHBondContact O-N 3.07Å; T802-V805 PolarHBondContact O-N 2.82Å; V805-A807 PolarHBondContact O-N 3.18Å; V805-K808 PolarHBondContact O-N 3.13Å; V805-V809 HydrophobicContact CG1-CG2 4.19Å; V805-V809 VanDerWaalsContact O-CB 3.31Å; V805-V809 WeakPolarHBondContact O-CB 3.49Å; V805-V809 WeakPolarHBondContact O-CG2 3.13Å; V805-V809 PolarHBondContact O-N 2.87Å |
| 806 | R | 80.4 | Confident | 76.7 | Confident | 158 Ų | 158 | 69.9 Ų | 69.9 | 60% | 0.596 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -61.8 | -43.4 | 174 | -75.1 | 174 | -177.6 | -176.5 | 3.3 | 112.3 | T802 L803 Q804 V809 A810 | T802-R806 WeakPolarHBondContact O-CB 3.26Å; T802-R806 VanDerWaalsContact O-CG 3.27Å; T802-R806 WeakPolarHBondContact O-CG 3.42Å; T802-R806 PolarHBondContact O-N 2.85Å; L803-R806 PolarHBondContact O-N 3.44Å; Q804-R806 VanDerWaalsContact C-N 3.33Å; Q804-R806 PolarHBondContact O-N 2.79Å; R806-V809 PolarHBondContact O-N 2.62Å; R806-A810 WeakPolarHBondContact O-CB 3.3Å; R806-A810 PolarHBondContact O-N 3Å |
| 807 | A | 77.8 | Confident | 76.8 | Confident | 8 Ų | 8 | 70.2 Ų | 70.2 | 7% | 0.066 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -67.7 | -40.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | L803 Q804 V805 A810 S811 W828 | L803-A807 WeakPolarHBondContact O-CB 3.21Å; L803-A807 PolarHBondContact O-N 2.84Å; Q804-A807 PolarHBondContact O-N 2.89Å; V805-A807 PolarHBondContact O-N 3.18Å; A807-A810 PolarHBondContact O-N 3.11Å; A807-S811 WeakPolarHBondContact O-CB 3.22Å; A807-S811 PolarHBondContact O-N 2.95Å; A807-W828 VanDerWaalsContact C-CZ3 3.47Å; A807-W828 HydrophobicContact CB-CE3 3.91Å; A807-W828 HydrophobicContact CB-CZ3 3.59Å |
| 808 | K | 81.8 | Confident | 76.6 | Confident | 42 Ų | 42 | 73 Ų | 73 | 18% | 0.183 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 173.5 | -75.1 | -178.2 | 178.9 | -175.3 | 0 | 111.8 | Q804 V805 S811 L812 L824 R826 W828 | Q804-K808 HydrophobicContact CG-CD 4.33Å; Q804-K808 WeakPolarHBondContact O-CB 3.24Å; Q804-K808 VanDerWaalsContact O-CG 3.31Å; Q804-K808 WeakPolarHBondContact O-CG 3.26Å; Q804-K808 PolarHBondContact O-N 3.48Å; V805-K808 PolarHBondContact O-N 3.13Å; K808-S811 PolarHBondContact O-N 2.8Å; K808-L812 VanDerWaalsContact O-CB 3.23Å; K808-L812 WeakPolarHBondContact O-CB 3.38Å; K808-L812 PolarHBondContact O-N 2.66Å; K808-L824 HydrophobicContact CB-CD2 3.87Å; K808-L824 HydrophobicContact CD-CD2 4.33Å; K808-L824 VanDerWaalsContact CE-O 3.3Å; K808-L824 WeakPolarHBondContact CE-O 3.45Å; K808-L824 HydrophobicContact CG-CD2 3.88Å; K808-L824 PolarHBondContact NZ-O 3.4Å; K808-R826 PolarHBondContact NZ-O 2.92Å; K808-W828 HydrophobicContact CB-CH2 4.44Å; K808-W828 HydrophobicContact CG-CD2 4.34Å; K808-W828 HydrophobicContact CG-CE3 4.43Å; K808-W828 HydrophobicContact CG-CH2 3.93Å; K808-W828 HydrophobicContact CG-CZ2 3.81Å; K808-W828 HydrophobicContact CG-CZ3 4.24Å |
| 809 | V | 81.6 | Confident | 76.5 | Confident | 72 Ų | 72 | 71.6 Ų | 71.6 | 44% | 0.436 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64 | -43.3 | 174.8 | 170.3 | 0 | 0 | 0 | 0 | 110.6 | V805 R806 S811 L812 E813 | V805-V809 HydrophobicContact CG1-CG2 4.19Å; V805-V809 VanDerWaalsContact O-CB 3.31Å; V805-V809 WeakPolarHBondContact O-CB 3.49Å; V805-V809 WeakPolarHBondContact O-CG2 3.13Å; V805-V809 PolarHBondContact O-N 2.87Å; R806-V809 PolarHBondContact O-N 2.62Å; V809-S811 PolarHBondContact O-N 3.17Å; V809-L812 PolarHBondContact O-N 2.85Å; V809-E813 HydrophobicContact CG1-CG 4.48Å; V809-E813 WeakPolarHBondContact O-CG 3.32Å; V809-E813 PolarHBondContact O-N 2.99Å |
| 810 | A | 80.8 | Confident | 76.2 | Confident | 5 Ų | 5 | 71.5 Ų | 71.5 | 4% | 0.041 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.8 | -40.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R806 A807 L812 A814 L958 | R806-A810 WeakPolarHBondContact O-CB 3.3Å; R806-A810 PolarHBondContact O-N 3Å; A807-A810 PolarHBondContact O-N 3.11Å; A810-L812 VanDerWaalsContact C-N 3.34Å; A810-A814 WeakPolarHBondContact O-CB 3.46Å; A810-A814 PolarHBondContact O-N 3.26Å; A810-A814 VanDerWaalsContact O-N 3.13Å; A810-L958 HydrophobicContact CB-CB 4.36Å |
| 811 | S | 81.2 | Confident | 76.4 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.6 | -37.8 | 172.4 | 174.2 | 0 | 0 | 0 | 0 | 112.1 | A807 K808 V809 A814 L815 G951 | A807-S811 WeakPolarHBondContact O-CB 3.22Å; A807-S811 PolarHBondContact O-N 2.95Å; K808-S811 PolarHBondContact O-N 2.8Å; V809-S811 PolarHBondContact O-N 3.17Å; S811-A814 PolarHBondContact O-N 3.47Å; S811-L815 VanDerWaalsContact O-CB 3.31Å; S811-L815 WeakPolarHBondContact O-CB 3.49Å; S811-L815 PolarHBondContact O-N 3.48Å; S811-G951 PolarHBondContact OG-O 3.38Å |
| 812 | L | 81.2 | Confident | 76.2 | Confident | 63 Ų | 63 | 63.2 Ų | 63.2 | 33% | 0.33 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -71.2 | -39.6 | 179.5 | -163.6 | 148.9 | 0 | 0 | 0 | 110.4 | K808 V809 A810 A814 K816 L824 | K808-L812 VanDerWaalsContact O-CB 3.23Å; K808-L812 WeakPolarHBondContact O-CB 3.38Å; K808-L812 PolarHBondContact O-N 2.66Å; V809-L812 PolarHBondContact O-N 2.85Å; A810-L812 VanDerWaalsContact C-N 3.34Å; L812-A814 VanDerWaalsContact C-N 3.31Å; L812-A814 PolarHBondContact O-N 3.34Å; L812-K816 HydrophobicContact CD2-CB 4.14Å; L812-K816 HydrophobicContact CD2-CD 3.61Å; L812-K816 HydrophobicContact CD2-CG 4.23Å; L812-K816 HydrophobicContact CG-CB 4.23Å; L812-K816 HydrophobicContact CG-CD 4.41Å; L812-K816 WeakPolarHBondContact O-CB 3.49Å; L812-K816 PolarHBondContact O-N 3.23Å; L812-L824 HydrophobicContact CD1-CD1 3.89Å |
| 813 | E | 80.1 | Confident | 75.9 | Confident | 135 Ų | 135 | 61.8 Ų | 61.8 | 63% | 0.631 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -59.9 | -39.9 | 171.5 | -76.5 | 177.2 | 177.9 | 0 | 0 | 112.6 | V809 K962 | V809-E813 HydrophobicContact CG1-CG 4.48Å; V809-E813 WeakPolarHBondContact O-CG 3.32Å; V809-E813 PolarHBondContact O-N 2.99Å; E813-K962 IonicContact OE2-NZ 3.9Å; E813-K962 PolarHBondContact OE2-NZ 2.92Å |
| 814 | A | 77.3 | Confident | 75.7 | Confident | 33 Ų | 33 | 59.9 Ų | 59.9 | 27% | 0.273 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -84.6 | -32.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | A810 S811 L812 L958 | A810-A814 WeakPolarHBondContact O-CB 3.46Å; A810-A814 PolarHBondContact O-N 3.26Å; A810-A814 VanDerWaalsContact O-N 3.13Å; S811-A814 PolarHBondContact O-N 3.47Å; L812-A814 VanDerWaalsContact C-N 3.31Å; L812-A814 PolarHBondContact O-N 3.34Å; A814-L958 HydrophobicContact CB-CD1 3.39Å |
| 815 | L | 78.8 | Confident | 75.4 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -116.8 | -9 | -169.4 | -55.3 | 178 | 0 | 0 | 0 | 114.1 | S811 G817 H818 R819 L822 V954 V970 I972 | S811-L815 VanDerWaalsContact O-CB 3.31Å; S811-L815 WeakPolarHBondContact O-CB 3.49Å; S811-L815 PolarHBondContact O-N 3.48Å; L815-G817 PolarHBondContact O-N 3.44Å; L815-H818 PolarHBondContact O-N 3.44Å; L815-H818 VanDerWaalsContact O-N 3.12Å; L815-R819 PolarHBondContact O-N 3.45Å; L815-L822 HydrophobicContact CB-CD1 4.28Å; L815-L822 HydrophobicContact CB-CD2 3.4Å; L815-L822 HydrophobicContact CD1-CD2 3.59Å; L815-L822 HydrophobicContact CG-CD2 4.14Å; L815-V954 HydrophobicContact CD1-CB 4.18Å; L815-V954 HydrophobicContact CD1-CG1 4.11Å; L815-V954 HydrophobicContact CD1-CG2 4.39Å; L815-V954 HydrophobicContact CD2-CG1 4.38Å; L815-V954 HydrophobicContact CG-CG1 4.3Å; L815-V970 HydrophobicContact CD2-CG1 4.43Å; L815-I972 HydrophobicContact CD2-CD1 3.59Å; L815-I972 HydrophobicContact CD2-CG1 4.15Å |
| 816 | K | 75.8 | Confident | 75 | Confident | 150 Ų | 150 | 66.1 Ų | 66.1 | 65% | 0.652 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 126.9 | -178.5 | -177.8 | -166.8 | -156.2 | 176.1 | 0 | 110.8 | L812 H818 | L812-K816 HydrophobicContact CD2-CB 4.14Å; L812-K816 HydrophobicContact CD2-CD 3.61Å; L812-K816 HydrophobicContact CD2-CG 4.23Å; L812-K816 HydrophobicContact CG-CB 4.23Å; L812-K816 HydrophobicContact CG-CD 4.41Å; L812-K816 WeakPolarHBondContact O-CB 3.49Å; L812-K816 PolarHBondContact O-N 3.23Å; K816-H818 VanDerWaalsContact C-N 3.29Å |
| 817 | G | 71.1 | Confident | 74.4 | Confident | 79 Ų | 79 | 62 Ų | 62 | 81% | 0.814 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.9 | -11.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | L815 | L815-G817 PolarHBondContact O-N 3.44Š|
| 818 | H | 72.3 | Confident | 74.4 | Confident | 128 Ų | 128 | 63.3 Ų | 63.3 | 59% | 0.593 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | -20.3 | -179.1 | -63.8 | -63 | 0 | 0 | 0 | 114.2 | L815 K816 I972 | L815-H818 PolarHBondContact O-N 3.44Å; L815-H818 VanDerWaalsContact O-N 3.12Å; K816-H818 VanDerWaalsContact C-N 3.29Å; H818-I972 HydrophobicContact CB-CD1 3.43Å; H818-I972 VanDerWaalsContact CB-CD1 3.43Å; H818-I972 HydrophobicContact CB-CG2 4.45Å |
| 819 | R | 72.2 | Confident | 73.9 | Confident | 16 Ų | 16 | 66 Ų | 66 | 6% | 0.06 | 37% | 0.373 | C | S | . | . | trans | -140.2 | 136.1 | 176.7 | -170.2 | 169 | 174 | 130.7 | 0.3 | 110.9 | L815 L822 S918 G920 D922 S948 I950 | L815-R819 PolarHBondContact O-N 3.45Å; R819-L822 HydrophobicContact CB-CD2 4.2Å; R819-S918 PolarHBondContact NH1-O 2.85Å; R819-G920 PolarHBondContact NE-O 2.93Å; R819-G920 PolarHBondContact NH1-O 3.44Å; R819-G920 PolarHBondContact NH2-O 3.47Å; R819-G920 VanDerWaalsContact NH2-O 3.1Å; R819-D922 PolarHBondContact NH2-O 3.41Å; R819-S948 PolarHBondContact NH2-OG 2.96Å; R819-I950 VanDerWaalsContact NH1-CD1 3.3Å | ||
| 820 | A | 66.3 | Low | 73.4 | Confident | 107 Ų | 107 | 63.2 Ų | 63.2 | 88% | 0.884 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -76.5 | -33.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 821 | D | 71.4 | Confident | 73.1 | Confident | 61 Ų | 61 | 64.7 Ų | 64.7 | 33% | 0.326 | 37% | 0.366 | S | S | . | . | trans | -121.4 | 110.4 | -180 | -177.8 | 22.3 | 0 | 0 | 0 | 112.2 | G823 S948 | D821-G823 PolarHBondContact OD1-N 2.86Å; D821-S948 PolarHBondContact O-OG 3.35Å; D821-S948 WeakPolarHBondContact OD2-CB 3.23Å | ||
| 822 | L | 68.9 | Low | 72.8 | Confident | 18 Ų | 18 | 65.4 Ų | 65.4 | 9% | 0.094 | 37% | 0.369 | C | S | . | . | trans | -104.6 | -5.4 | 179.6 | -59.8 | 179.5 | 0 | 0 | 0 | 112.8 | L815 R819 L824 | L815-L822 HydrophobicContact CB-CD1 4.28Å; L815-L822 HydrophobicContact CB-CD2 3.4Å; L815-L822 HydrophobicContact CD1-CD2 3.59Å; L815-L822 HydrophobicContact CG-CD2 4.14Å; R819-L822 HydrophobicContact CB-CD2 4.2Å; L822-L824 HydrophobicContact CB-CD1 4.25Å; L822-L824 HydrophobicContact CB-CG 3.93Å; L822-L824 HydrophobicContact CD1-CD1 4.16Å; L822-L824 PolarHBondContact O-N 3.22Å | ||
| 823 | G | 67.8 | Low | 72.3 | Confident | 12 Ų | 12 | 62.8 Ų | 62.8 | 12% | 0.124 | 36% | 0.355 | C | S | . | . | trans | 60.4 | 40.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D821 R826 W828 | D821-G823 PolarHBondContact OD1-N 2.86Å; G823-R826 WeakPolarHBondContact O-CG 3.25Å; G823-W828 PolarHBondContact O-NE1 3.22Å | ||
| 824 | L | 69 | Low | 71.7 | Confident | 54 Ų | 54 | 58.5 Ų | 58.5 | 28% | 0.283 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -24.4 | -176.1 | -70.5 | 169.5 | 0 | 0 | 0 | 114.2 | K808 L812 L822 R826 W828 | K808-L824 HydrophobicContact CB-CD2 3.87Å; K808-L824 HydrophobicContact CD-CD2 4.33Å; K808-L824 VanDerWaalsContact CE-O 3.3Å; K808-L824 WeakPolarHBondContact CE-O 3.45Å; K808-L824 HydrophobicContact CG-CD2 3.88Å; K808-L824 PolarHBondContact NZ-O 3.4Å; L812-L824 HydrophobicContact CD1-CD1 3.89Å; L822-L824 HydrophobicContact CB-CD1 4.25Å; L822-L824 HydrophobicContact CB-CG 3.93Å; L822-L824 HydrophobicContact CD1-CD1 4.16Å; L822-L824 PolarHBondContact O-N 3.22Å; L824-R826 VanDerWaalsContact C-N 3.28Å; L824-R826 PolarHBondContact O-N 2.96Å; L824-W828 HydrophobicContact CD2-CZ2 4.21Å |
| 825 | Q | 68.7 | Low | 70.9 | Confident | 198 Ų | 198 | 58.3 Ų | 58.3 | 93% | 0.925 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -14.3 | -179 | -64.1 | -64.9 | -14.3 | 0 | 0 | 113 | ||
| 826 | R | 69.8 | Low | 70.1 | Confident | 50 Ų | 50 | 60.7 Ų | 60.7 | 19% | 0.189 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -92 | 163.9 | -176.9 | 82.9 | -167.7 | -173.5 | 149.7 | 6.4 | 113.3 | Q804 K808 G823 L824 Y832 E947 E952 | Q804-R826 PolarHBondContact NE2-O 3.41Å; K808-R826 PolarHBondContact NZ-O 2.92Å; G823-R826 WeakPolarHBondContact O-CG 3.25Å; L824-R826 VanDerWaalsContact C-N 3.28Å; L824-R826 PolarHBondContact O-N 2.96Å; R826-Y832 PolarHBondContact NH2-OH 3.37Å; R826-Y832 VanDerWaalsContact NH2-OH 3.11Å; R826-E947 IonicContact NH1-OE2 3.78Å; R826-E952 IonicContact CZ-OE2 3.96Å; R826-E952 IonicContact NE-OE2 3.12Å; R826-E952 IonicContact NH2-OE2 3.57Å; R826-E952 PolarHBondContact NH2-OE2 3.04Å |
| 827 | A | 69.4 | Low | 69.1 | Low | 71 Ų | 71 | 54 Ų | 54 | 59% | 0.587 | 32% | 0.316 | S | S | * | . | trans | -75.5 | 133.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 828 | W | 78 | Confident | 68.3 | Low | 36 Ų | 36 | 57.2 Ų | 57.2 | 14% | 0.136 | 31% | 0.31 | C | S | . | . | trans | -95 | 109.1 | -178.9 | -73.3 | 5.4 | 0 | 0 | 0 | 108.5 | A807 K808 G823 L824 G951 E952 | A807-W828 VanDerWaalsContact C-CZ3 3.47Å; A807-W828 HydrophobicContact CB-CE3 3.91Å; A807-W828 HydrophobicContact CB-CZ3 3.59Å; K808-W828 HydrophobicContact CB-CH2 4.44Å; K808-W828 HydrophobicContact CG-CD2 4.34Å; K808-W828 HydrophobicContact CG-CE3 4.43Å; K808-W828 HydrophobicContact CG-CH2 3.93Å; K808-W828 HydrophobicContact CG-CZ2 3.81Å; K808-W828 HydrophobicContact CG-CZ3 4.24Å; G823-W828 PolarHBondContact O-NE1 3.22Å; L824-W828 HydrophobicContact CD2-CZ2 4.21Å; W828-G951 WeakPolarHBondContact CH2-O 3.22Å; W828-E952 VanDerWaalsContact CA-OE2 3.26Å; W828-E952 WeakPolarHBondContact CA-OE2 3.14Å; W828-E952 VanDerWaalsContact CB-CD 3.44Å; W828-E952 HydrophobicContact CB-CG 3.8Å; W828-E952 WeakPolarHBondContact CB-OE2 3.33Å; W828-E952 HydrophobicContact CD2-CB 3.88Å; W828-E952 HydrophobicContact CD2-CG 3.8Å; W828-E952 HydrophobicContact CE3-CB 4.21Å; W828-E952 HydrophobicContact CE3-CG 3.97Å; W828-E952 HydrophobicContact CG-CB 4.08Å; W828-E952 HydrophobicContact CG-CG 3.74Å | ||
| 829 | E | 69.8 | Low | 67.6 | Low | 99 Ų | 99 | 58.5 Ų | 58.5 | 46% | 0.463 | 31% | 0.314 | S | S | . | . | trans | -90.1 | -28.1 | -170 | -65.2 | -178.4 | 174.3 | 0 | 0 | 114 | N831 Y832 E952 | E829-N831 VanDerWaalsContact C-N 3.29Å; E829-N831 PolarHBondContact O-N 3.16Å; E829-Y832 HydrophobicContact CB-CE1 4.28Å; E829-E952 PolarHBondContact N-OE1 3.43Å | ||
| 830 | G | 71.6 | Confident | 66.6 | Low | 12 Ų | 12 | 64.9 Ų | 64.9 | 12% | 0.124 | 34% | 0.338 | C | S | . | . | trans | 75.6 | -54.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y832 F867 S868 E952 | G830-Y832 WeakPolarHBondContact O-CD2 3.25Å; G830-Y832 PolarHBondContact O-N 3.04Å; G830-F867 CarbonylContact O-C 3.56Å; G830-F867 VanDerWaalsContact O-CA 3.22Å; G830-F867 WeakPolarHBondContact O-CA 3.3Å; G830-S868 PolarHBondContact O-N 2.94Å; G830-E952 WeakPolarHBondContact CA-OE1 3.35Å; G830-E952 PolarHBondContact N-OE1 2.96Å | ||
| 831 | N | 75.6 | Confident | 65.7 | Low | 37 Ų | 37 | 67.9 Ų | 67.9 | 20% | 0.198 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | -100 | 69 | -167.3 | -157.7 | -1.7 | 0 | 0 | 0 | 113.8 | E829 V833 L834 C835 S868 | E829-N831 VanDerWaalsContact C-N 3.29Å; E829-N831 PolarHBondContact O-N 3.16Å; N831-V833 PolarHBondContact O-N 3.31Å; N831-L834 PolarHBondContact O-N 3.13Å; N831-C835 PolarHBondContact O-N 3.1Å; N831-C835 PolarHBondContact O-SG 3.37Å; N831-C835 VanDerWaalsContact O-SG 3.35Å; N831-S868 VanDerWaalsContact C-OG 3.27Å; N831-S868 WeakPolarHBondContact CA-OG 3.21Å; N831-S868 WeakPolarHBondContact OD1-CB 3.26Å; N831-S868 PolarHBondContact OD1-OG 2.91Å |
| 832 | Y | 74.6 | Confident | 64.8 | Low | 15 Ų | 15 | 69.8 Ų | 69.8 | 6% | 0.059 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -73 | -21.9 | -169.4 | -61.2 | -84.6 | 0 | 0 | 0 | 115.8 | R826 E829 G830 L834 F836 F867 S868 E952 | R826-Y832 PolarHBondContact NH2-OH 3.37Å; R826-Y832 VanDerWaalsContact NH2-OH 3.11Å; E829-Y832 HydrophobicContact CB-CE1 4.28Å; G830-Y832 WeakPolarHBondContact O-CD2 3.25Å; G830-Y832 PolarHBondContact O-N 3.04Å; Y832-L834 VanDerWaalsContact C-N 3.33Å; Y832-F836 WeakPolarHBondContact O-CB 3.46Å; Y832-F836 PolarHBondContact O-N 3.12Å; Y832-F867 HydrophobicContact CD2-CD2 4.28Å; Y832-F867 AromaticContact CD2-CE2 3.74Å; Y832-F867 HydrophobicContact CD2-CE2 3.74Å; Y832-F867 HydrophobicContact CD2-CZ 4.11Å; Y832-F867 HydrophobicContact CE2-CD2 4.11Å; Y832-F867 AromaticContact CE2-CE2 3.54Å; Y832-F867 HydrophobicContact CE2-CE2 3.54Å; Y832-F867 HydrophobicContact CE2-CZ 4.28Å; Y832-S868 WeakPolarHBondContact CA-O 3.38Å; Y832-S868 WeakPolarHBondContact CB-O 3.44Å; Y832-S868 WeakPolarHBondContact CD2-O 3.49Å; Y832-S868 PolarHBondContact N-O 3.24Å; Y832-S868 PolarHBondContact N-OG 2.8Å; Y832-E952 VanDerWaalsContact CE2-OE1 3.24Å; Y832-E952 WeakPolarHBondContact CE2-OE1 3.47Å; Y832-E952 PolarHBondContact OH-OE1 3.28Å; Y832-E952 PolarHBondContact OH-OE2 2.67Å |
| 833 | V | 70.3 | Confident | 64.3 | Low | 7 Ų | 7 | 73.1 Ų | 73.1 | 4% | 0.042 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.5 | -38.7 | 175.5 | 180 | 0 | 0 | 0 | 0 | 110.6 | N831 G837 F849 S868 Y901 | N831-V833 PolarHBondContact O-N 3.31Å; V833-G837 PolarHBondContact O-N 3.33Å; V833-F849 HydrophobicContact CB-CD1 4.16Å; V833-F849 HydrophobicContact CB-CD2 4.42Å; V833-F849 HydrophobicContact CB-CE1 3.8Å; V833-F849 HydrophobicContact CB-CE2 4.07Å; V833-F849 HydrophobicContact CB-CG 4.44Å; V833-F849 HydrophobicContact CB-CZ 3.73Å; V833-F849 HydrophobicContact CG1-CB 4.3Å; V833-F849 HydrophobicContact CG1-CD1 3.78Å; V833-F849 HydrophobicContact CG1-CD2 3.6Å; V833-F849 HydrophobicContact CG1-CE1 3.89Å; V833-F849 HydrophobicContact CG1-CE2 3.7Å; V833-F849 HydrophobicContact CG1-CG 3.62Å; V833-F849 HydrophobicContact CG1-CZ 3.83Å; V833-F849 HydrophobicContact CG2-CE2 4.4Å; V833-F849 HydrophobicContact CG2-CZ 4.22Å; V833-S868 PolarHBondContact N-OG 2.96Å; V833-Y901 HydrophobicContact CG1-CD1 4.47Å; V833-Y901 HydrophobicContact CG1-CE1 3.88Å |
| 834 | L | 66.9 | Low | 64 | Low | 46 Ų | 46 | 78 Ų | 78 | 24% | 0.241 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -74.3 | -44.1 | 178.6 | -162.1 | 138.1 | 0 | 0 | 0 | 111.3 | N831 Y832 F836 G837 Q838 T850 | N831-L834 PolarHBondContact O-N 3.13Å; Y832-L834 VanDerWaalsContact C-N 3.33Å; L834-F836 VanDerWaalsContact C-N 3.26Å; L834-F836 PolarHBondContact O-N 3.3Å; L834-G837 PolarHBondContact O-N 3.18Å; L834-Q838 PolarHBondContact O-N 3.24Å; L834-T850 WeakPolarHBondContact CD1-OG1 3.44Å |
| 835 | C | 61.6 | Low | 63.7 | Low | 29 Ų | 29 | 77.5 Ų | 77.5 | 20% | 0.196 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.5 | -28.3 | 175.1 | -62 | 0 | 0 | 0 | 0 | 113 | N831 K839 | N831-C835 PolarHBondContact O-N 3.1Å; N831-C835 PolarHBondContact O-SG 3.37Å; N831-C835 VanDerWaalsContact O-SG 3.35Å; C835-K839 WeakPolarHBondContact O-CG 3.03Å |
| 836 | F | 60.7 | Low | 63.4 | Low | 49 Ų | 49 | 68.7 Ų | 68.7 | 22% | 0.215 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -73.5 | -44.2 | 176 | -179.6 | -108.6 | 0 | 0 | 0 | 112.6 | Y832 L834 Q838 K839 R840 M942 | Y832-F836 WeakPolarHBondContact O-CB 3.46Å; Y832-F836 PolarHBondContact O-N 3.12Å; L834-F836 VanDerWaalsContact C-N 3.26Å; L834-F836 PolarHBondContact O-N 3.3Å; F836-Q838 PolarHBondContact O-N 3.37Å; F836-K839 PolarHBondContact O-N 2.95Å; F836-K839 VanDerWaalsContact O-N 3.12Å; F836-R840 HydrophobicContact CE2-CG 4.31Å; F836-R840 PolarHBondContact O-N 3.33Å; F836-M942 HydrophobicContact CB-CE 4.34Å; F836-M942 HydrophobicContact CB-SD 4.07Å; F836-M942 HydrophobicContact CD1-CE 3.62Å; F836-M942 HydrophobicContact CD1-SD 4.36Å; F836-M942 HydrophobicContact CD2-CE 3.37Å; F836-M942 HydrophobicContact CD2-CG 4.37Å; F836-M942 HydrophobicContact CD2-SD 3.13Å; F836-M942 WeakPolarHBondContact CD2-SD 3.34Å; F836-M942 HydrophobicContact CE1-CE 3.58Å; F836-M942 HydrophobicContact CE2-CE 3.31Å; F836-M942 HydrophobicContact CE2-CG 4.26Å; F836-M942 HydrophobicContact CE2-SD 3.49Å; F836-M942 WeakPolarHBondContact CE2-SD 3.43Å; F836-M942 HydrophobicContact CG-CE 3.5Å; F836-M942 HydrophobicContact CG-SD 3.61Å; F836-M942 HydrophobicContact CZ-CE 3.41Å; F836-M942 VanDerWaalsContact CZ-CE 3.41Å; F836-M942 HydrophobicContact CZ-SD 4.23Å |
| 837 | G | 55.5 | Low | 63.3 | Low | 9 Ų | 9 | 69.3 Ų | 69.3 | 9% | 0.093 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.4 | -19.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | V833 L834 | V833-G837 PolarHBondContact O-N 3.33Å; L834-G837 PolarHBondContact O-N 3.18Å |
| 838 | Q | 55 | Low | 63.2 | Low | 147 Ų | 147 | 67.2 Ų | 67.2 | 69% | 0.687 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -17.9 | 171.9 | -76.4 | 177.8 | -25.9 | 0 | 0 | 114.1 | L834 F836 | L834-Q838 PolarHBondContact O-N 3.24Å; F836-Q838 PolarHBondContact O-N 3.37Å |
| 839 | K | 56.4 | Low | 63.1 | Low | 155 Ų | 155 | 65.6 Ų | 65.6 | 67% | 0.674 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.7 | -10.6 | -171.9 | -73.8 | 178.5 | -179.6 | 172.7 | 0 | 114.8 | C835 F836 | C835-K839 WeakPolarHBondContact O-CG 3.03Å; F836-K839 PolarHBondContact O-N 2.95Å; F836-K839 VanDerWaalsContact O-N 3.12Å |
| 840 | R | 51.5 | Low | 63.3 | Low | 150 Ų | 150 | 63.6 Ų | 63.6 | 57% | 0.566 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -123.6 | 126.9 | 168.8 | -73.8 | -172.5 | 178.3 | -176.2 | -3.4 | 107.3 | F836 N842 | F836-R840 HydrophobicContact CE2-CG 4.31Å; F836-R840 PolarHBondContact O-N 3.33Å; R840-N842 PolarHBondContact O-N 3.2Å |
| 841 | D | 47.3 | Very low | 63.5 | Low | 171 Ų | 171 | 68 Ų | 68 | 91% | 0.914 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -58.2 | 49.1 | -169.4 | -59.5 | -55.5 | 0 | 0 | 0 | 117.1 | ||
| 842 | N | 52.2 | Low | 63.6 | Low | 100 Ų | 100 | 67.2 Ų | 67.2 | 54% | 0.535 | 36% | 0.355 | S | S | . | . | trans | -127 | 70.1 | 175.7 | -146.2 | 18.3 | 0 | 0 | 0 | 110.3 | R840 D844 T845 | R840-N842 PolarHBondContact O-N 3.2Å; N842-D844 PolarHBondContact O-N 3.05Å; N842-D844 VanDerWaalsContact O-N 3.1Å; N842-T845 PolarHBondContact O-N 3.12Å; N842-T845 VanDerWaalsContact O-N 3.13Å; N842-T845 PolarHBondContact O-OG1 3.17Å | ||
| 843 | P | 59.9 | Low | 63.6 | Low | 89 Ų | 89 | 67.2 Ų | 67.2 | 58% | 0.578 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -59.9 | -22.8 | -169 | 20.7 | -31.4 | 0 | 0 | 0 | 114.5 | T845 A846 S847 | P843-T845 PolarHBondContact O-N 3.04Å; P843-A846 PolarHBondContact O-N 2.55Å; P843-S847 PolarHBondContact O-N 3.17Å; P843-S847 VanDerWaalsContact O-N 3.16Å; P843-S847 PolarHBondContact O-OG 3.36Å; P843-S847 VanDerWaalsContact O-OG 3.12Å |
| 844 | D | 59.7 | Low | 63.9 | Low | 115 Ų | 115 | 69 Ų | 69 | 62% | 0.615 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -63.2 | -24.7 | 177.6 | -67.8 | -23.2 | 0 | 0 | 0 | 113.6 | N842 S847 S848 | N842-D844 PolarHBondContact O-N 3.05Å; N842-D844 VanDerWaalsContact O-N 3.1Å; D844-S847 WeakPolarHBondContact CA-OG 3.44Å; D844-S847 PolarHBondContact O-OG 2.94Å; D844-S848 WeakPolarHBondContact O-CB 3.46Å; D844-S848 PolarHBondContact O-N 3.39Å; D844-S848 PolarHBondContact O-OG 3.23Å |
| 845 | T | 62.7 | Low | 64.4 | Low | 43 Ų | 43 | 71.9 Ų | 71.9 | 26% | 0.264 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -77.2 | -39.2 | -179.8 | -46.2 | 0 | 0 | 0 | 0 | 111.3 | N842 P843 F849 Y901 | N842-T845 PolarHBondContact O-N 3.12Å; N842-T845 VanDerWaalsContact O-N 3.13Å; N842-T845 PolarHBondContact O-OG1 3.17Å; P843-T845 PolarHBondContact O-N 3.04Å; T845-F849 WeakPolarHBondContact O-CB 3.38Å; T845-F849 PolarHBondContact O-N 3.38Å; T845-Y901 HydrophobicContact CG2-CE2 3.51Å |
| 846 | A | 62.9 | Low | 65.2 | Low | 13 Ų | 13 | 71 Ų | 71 | 11% | 0.107 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -74.8 | -42.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | P843 F849 T850 | P843-A846 PolarHBondContact O-N 2.55Å; A846-F849 PolarHBondContact O-N 3.04Å; A846-T850 WeakPolarHBondContact O-CB 2.97Å; A846-T850 PolarHBondContact O-N 3.37Å; A846-T850 PolarHBondContact O-OG1 2.95Å |
| 847 | S | 66.8 | Low | 66 | Low | 62 Ų | 62 | 72.6 Ų | 72.6 | 43% | 0.434 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.2 | -47.2 | 176.3 | 58.1 | 0 | 0 | 0 | 0 | 110.8 | P843 D844 F849 T850 L851 | P843-S847 PolarHBondContact O-N 3.17Å; P843-S847 VanDerWaalsContact O-N 3.16Å; P843-S847 PolarHBondContact O-OG 3.36Å; P843-S847 VanDerWaalsContact O-OG 3.12Å; D844-S847 WeakPolarHBondContact CA-OG 3.44Å; D844-S847 PolarHBondContact O-OG 2.94Å; S847-F849 PolarHBondContact O-N 2.95Å; S847-T850 PolarHBondContact O-N 2.79Å; S847-L851 WeakPolarHBondContact O-CB 3.44Å; S847-L851 PolarHBondContact O-N 3.25Å |
| 848 | S | 69.3 | Low | 67 | Low | 28 Ų | 28 | 81.1 Ų | 81.1 | 20% | 0.196 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -58.2 | -44.5 | 175.6 | -62.5 | 0 | 0 | 0 | 0 | 112.5 | D844 L851 V852 | D844-S848 WeakPolarHBondContact O-CB 3.46Å; D844-S848 PolarHBondContact O-N 3.39Å; D844-S848 PolarHBondContact O-OG 3.23Å; S848-L851 PolarHBondContact O-N 3.5Å; S848-V852 WeakPolarHBondContact O-CG2 3.44Å; S848-V852 PolarHBondContact O-N 3.01Å |
| 849 | F | 75.2 | Confident | 68.1 | Low | 1 Ų | 1 | 81.9 Ų | 81.9 | 0% | 0.004 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -67.1 | -39 | 177.6 | -177.5 | -102.7 | 0 | 0 | 0 | 112.5 | V833 T845 A846 S847 L851 V852 S853 L886 M895 Y901 | V833-F849 HydrophobicContact CB-CD1 4.16Å; V833-F849 HydrophobicContact CB-CD2 4.42Å; V833-F849 HydrophobicContact CB-CE1 3.8Å; V833-F849 HydrophobicContact CB-CE2 4.07Å; V833-F849 HydrophobicContact CB-CG 4.44Å; V833-F849 HydrophobicContact CB-CZ 3.73Å; V833-F849 HydrophobicContact CG1-CB 4.3Å; V833-F849 HydrophobicContact CG1-CD1 3.78Å; V833-F849 HydrophobicContact CG1-CD2 3.6Å; V833-F849 HydrophobicContact CG1-CE1 3.89Å; V833-F849 HydrophobicContact CG1-CE2 3.7Å; V833-F849 HydrophobicContact CG1-CG 3.62Å; V833-F849 HydrophobicContact CG1-CZ 3.83Å; V833-F849 HydrophobicContact CG2-CE2 4.4Å; V833-F849 HydrophobicContact CG2-CZ 4.22Å; T845-F849 WeakPolarHBondContact O-CB 3.38Å; T845-F849 PolarHBondContact O-N 3.38Å; A846-F849 PolarHBondContact O-N 3.04Å; S847-F849 PolarHBondContact O-N 2.95Å; F849-L851 VanDerWaalsContact C-N 3.34Å; F849-V852 PolarHBondContact O-N 3.41Å; F849-S853 WeakPolarHBondContact O-CB 3.44Å; F849-S853 PolarHBondContact O-N 2.96Å; F849-L886 HydrophobicContact CZ-CD1 4.05Å; F849-M895 HydrophobicContact CD2-SD 4.34Å; F849-M895 HydrophobicContact CE2-SD 3.77Å; F849-Y901 HydrophobicContact CB-CD2 4.42Å; F849-Y901 AromaticContact CD2-CD1 3.79Å; F849-Y901 HydrophobicContact CD2-CD1 3.79Å; F849-Y901 HydrophobicContact CD2-CE1 4.4Å; F849-Y901 AromaticContact CD2-CG 3.88Å; F849-Y901 HydrophobicContact CD2-CG 3.88Å; F849-Y901 HydrophobicContact CE2-CD1 4.29Å |
| 850 | T | 73.6 | Confident | 69 | Low | 57 Ų | 57 | 76.5 Ų | 76.5 | 35% | 0.35 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66 | -38.7 | 177.8 | -55.8 | 0 | 0 | 0 | 0 | 111.4 | L834 A846 S847 S854 | L834-T850 WeakPolarHBondContact CD1-OG1 3.44Å; A846-T850 WeakPolarHBondContact O-CB 2.97Å; A846-T850 PolarHBondContact O-N 3.37Å; A846-T850 PolarHBondContact O-OG1 2.95Å; S847-T850 PolarHBondContact O-N 2.79Å; T850-S854 VanDerWaalsContact O-CB 3.29Å; T850-S854 WeakPolarHBondContact O-CB 3.27Å; T850-S854 PolarHBondContact O-N 3.06Å; T850-S854 PolarHBondContact O-OG 2.81Å |
| 851 | L | 76.9 | Confident | 70.2 | Confident | 104 Ų | 104 | 76.6 Ų | 76.6 | 55% | 0.545 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65 | -50.7 | 176.5 | -133.5 | 150.1 | 0 | 0 | 0 | 110.7 | S847 S848 F849 S853 S854 E855 | S847-L851 WeakPolarHBondContact O-CB 3.44Å; S847-L851 PolarHBondContact O-N 3.25Å; S848-L851 PolarHBondContact O-N 3.5Å; F849-L851 VanDerWaalsContact C-N 3.34Å; L851-S853 PolarHBondContact O-N 2.78Å; L851-S854 PolarHBondContact O-N 3.1Å; L851-E855 WeakPolarHBondContact O-CG 3.47Å; L851-E855 PolarHBondContact O-N 3.4Å |
| 852 | V | 77.3 | Confident | 71.7 | Confident | 22 Ų | 22 | 68.7 Ų | 68.7 | 13% | 0.133 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.2 | -39.7 | 177 | 174.1 | 0 | 0 | 0 | 0 | 111.9 | S848 F849 S854 E855 L856 M895 | S848-V852 WeakPolarHBondContact O-CG2 3.44Å; S848-V852 PolarHBondContact O-N 3.01Å; F849-V852 PolarHBondContact O-N 3.41Å; V852-S854 VanDerWaalsContact C-N 3.34Å; V852-E855 PolarHBondContact O-N 3.21Å; V852-L856 HydrophobicContact CG1-CD1 4.06Å; V852-L856 HydrophobicContact CG1-CG 4.46Å; V852-L856 WeakPolarHBondContact O-CB 3.4Å; V852-L856 VanDerWaalsContact O-CG 3.32Å; V852-L856 WeakPolarHBondContact O-CG 3.36Å; V852-L856 PolarHBondContact O-N 3.13Å; V852-M895 HydrophobicContact CG1-CE 4.31Å |
| 853 | S | 73.5 | Confident | 72.7 | Confident | 14 Ų | 14 | 71.3 Ų | 71.3 | 10% | 0.098 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.8 | -39 | 176.2 | -175.1 | 0 | 0 | 0 | 0 | 111.6 | F849 L851 L856 Q857 | F849-S853 WeakPolarHBondContact O-CB 3.44Å; F849-S853 PolarHBondContact O-N 2.96Å; L851-S853 PolarHBondContact O-N 2.78Å; S853-L856 PolarHBondContact O-N 2.84Å; S853-Q857 VanDerWaalsContact O-CB 3.29Å; S853-Q857 WeakPolarHBondContact O-CB 3.37Å; S853-Q857 PolarHBondContact O-N 3.31Å |
| 854 | S | 76.6 | Confident | 73.5 | Confident | 46 Ų | 46 | 73 Ų | 73 | 32% | 0.322 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -72.3 | -33.1 | 177.3 | -57.5 | 0 | 0 | 0 | 0 | 112.4 | T850 L851 V852 Q857 R858 | T850-S854 VanDerWaalsContact O-CB 3.29Å; T850-S854 WeakPolarHBondContact O-CB 3.27Å; T850-S854 PolarHBondContact O-N 3.06Å; T850-S854 PolarHBondContact O-OG 2.81Å; L851-S854 PolarHBondContact O-N 3.1Å; V852-S854 VanDerWaalsContact C-N 3.34Å; S854-Q857 PolarHBondContact O-N 2.77Å; S854-R858 PolarHBondContact O-N 3.14Å |
| 855 | E | 76.9 | Confident | 74.4 | Confident | 105 Ų | 105 | 69.3 Ų | 69.3 | 49% | 0.491 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.2 | -45.6 | 170.7 | -77.3 | -177.6 | 174.2 | 0 | 0 | 111.8 | L851 V852 Q857 R858 K859 | L851-E855 WeakPolarHBondContact O-CG 3.47Å; L851-E855 PolarHBondContact O-N 3.4Å; V852-E855 PolarHBondContact O-N 3.21Å; E855-Q857 VanDerWaalsContact C-N 3.29Å; E855-Q857 PolarHBondContact O-N 3.25Å; E855-R858 PolarHBondContact O-N 3.37Å; E855-K859 WeakPolarHBondContact O-CB 3.36Å; E855-K859 PolarHBondContact O-N 3.38Å |
| 856 | L | 78.4 | Confident | 75.2 | Confident | 11 Ų | 11 | 67.7 Ų | 67.7 | 6% | 0.058 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.3 | -35.3 | 174.8 | -73.4 | 173 | 0 | 0 | 0 | 111.9 | V852 S853 R858 K859 D860 F862 L886 Y893 M895 P903 | V852-L856 HydrophobicContact CG1-CD1 4.06Å; V852-L856 HydrophobicContact CG1-CG 4.46Å; V852-L856 WeakPolarHBondContact O-CB 3.4Å; V852-L856 VanDerWaalsContact O-CG 3.32Å; V852-L856 WeakPolarHBondContact O-CG 3.36Å; V852-L856 PolarHBondContact O-N 3.13Å; S853-L856 PolarHBondContact O-N 2.84Å; L856-R858 VanDerWaalsContact C-N 3.35Å; L856-K859 PolarHBondContact O-N 2.94Å; L856-D860 WeakPolarHBondContact O-CB 3.33Å; L856-D860 PolarHBondContact O-N 3.47Å; L856-F862 VanDerWaalsContact C-CE1 3.47Å; L856-F862 HydrophobicContact CB-CE1 3.91Å; L856-L886 HydrophobicContact CD1-CD2 4.43Å; L856-Y893 HydrophobicContact CD1-CD1 4.25Å; L856-Y893 HydrophobicContact CD1-CE1 4.42Å; L856-Y893 HydrophobicContact CD1-CG 4.31Å; L856-Y893 HydrophobicContact CD2-CD1 4.34Å; L856-Y893 HydrophobicContact CD2-CE1 3.96Å; L856-M895 HydrophobicContact CD1-CE 3.23Å; L856-P903 HydrophobicContact CD1-CB 4.45Å; L856-P903 HydrophobicContact CD2-CB 4.46Å; L856-P903 HydrophobicContact CD2-CG 4.17Å |
| 857 | Q | 77.5 | Confident | 76.2 | Confident | 83 Ų | 83 | 67.1 Ų | 67.1 | 39% | 0.388 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 175.4 | -165.7 | 174.9 | 10.2 | 0 | 0 | 111.4 | S853 S854 E855 K861 F862 | S853-Q857 VanDerWaalsContact O-CB 3.29Å; S853-Q857 WeakPolarHBondContact O-CB 3.37Å; S853-Q857 PolarHBondContact O-N 3.31Å; S854-Q857 PolarHBondContact O-N 2.77Å; E855-Q857 VanDerWaalsContact C-N 3.29Å; E855-Q857 PolarHBondContact O-N 3.25Å; Q857-K861 VanDerWaalsContact O-CA 3.23Å; Q857-K861 WeakPolarHBondContact O-CA 3.48Å; Q857-K861 PolarHBondContact O-N 2.79Å; Q857-F862 VanDerWaalsContact CA-CE1 3.46Å; Q857-F862 HydrophobicContact CB-CD1 4.49Å; Q857-F862 HydrophobicContact CB-CE1 4.01Å; Q857-F862 HydrophobicContact CB-CE2 4.05Å; Q857-F862 HydrophobicContact CB-CZ 3.76Å; Q857-F862 HydrophobicContact CG-CD2 4.12Å; Q857-F862 HydrophobicContact CG-CE2 4Å; Q857-F862 HydrophobicContact CG-CG 4.43Å; Q857-F862 HydrophobicContact CG-CZ 4.21Å; Q857-F862 VanDerWaalsContact CG-O 3.29Å; Q857-F862 WeakPolarHBondContact CG-O 3.46Å; Q857-F862 PolarHBondContact NE2-O 3.5Å |
| 858 | R | 78 | Confident | 76.9 | Confident | 187 Ų | 187 | 64.2 Ų | 64.2 | 71% | 0.706 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -66.8 | -41.5 | 173.6 | -79.8 | -174.8 | -88 | 165.3 | -7.1 | 112.4 | S854 E855 L856 | S854-R858 PolarHBondContact O-N 3.14Å; E855-R858 PolarHBondContact O-N 3.37Å; L856-R858 VanDerWaalsContact C-N 3.35Å |
| 859 | K | 78.2 | Confident | 77.6 | Confident | 163 Ų | 163 | 62.9 Ų | 62.9 | 71% | 0.709 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -71.5 | -51.1 | -177.5 | -171.6 | 179.9 | -180 | 178.2 | 0 | 113.1 | E855 L856 | E855-K859 WeakPolarHBondContact O-CB 3.36Å; E855-K859 PolarHBondContact O-N 3.38Å; L856-K859 PolarHBondContact O-N 2.94Å |
| 860 | D | 74.7 | Confident | 77.8 | Confident | 43 Ų | 43 | 63.7 Ų | 63.7 | 23% | 0.23 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -102.9 | 1.5 | -169.6 | -62.5 | -42.3 | 0 | 0 | 0 | 113.1 | L856 F862 Y893 | L856-D860 WeakPolarHBondContact O-CB 3.33Å; L856-D860 PolarHBondContact O-N 3.47Å; D860-F862 PolarHBondContact O-N 3.46Å; D860-Y893 WeakPolarHBondContact CB-OH 3.34Å; D860-Y893 VanDerWaalsContact CG-OH 3.28Å; D860-Y893 WeakPolarHBondContact OD2-CE1 3.43Å; D860-Y893 PolarHBondContact OD2-OH 3.37Å |
| 861 | K | 76.6 | Confident | 78.2 | Confident | 152 Ų | 152 | 61.1 Ų | 61.1 | 66% | 0.661 | 29% | 0.285 | S | S | * | . | trans | 50 | 50 | 172.7 | -60.3 | -176.7 | -178.9 | -179.7 | 0 | 113.9 | Q857 R890 | Q857-K861 VanDerWaalsContact O-CA 3.23Å; Q857-K861 WeakPolarHBondContact O-CA 3.48Å; Q857-K861 PolarHBondContact O-N 2.79Å; K861-R890 VanDerWaalsContact O-CZ 3.3Å; K861-R890 PolarHBondContact O-NH1 2.83Å | ||
| 862 | F | 78.2 | Confident | 78.5 | Confident | 5 Ų | 5 | 58.4 Ų | 58.4 | 2% | 0.022 | 27% | 0.268 | C | S | . | . | trans | -90.2 | 144.7 | 173.4 | 64.6 | -102.2 | 0 | 0 | 0 | 111.7 | L856 Q857 D860 V865 S888 D889 Y893 | L856-F862 VanDerWaalsContact C-CE1 3.47Å; L856-F862 HydrophobicContact CB-CE1 3.91Å; Q857-F862 VanDerWaalsContact CA-CE1 3.46Å; Q857-F862 HydrophobicContact CB-CD1 4.49Å; Q857-F862 HydrophobicContact CB-CE1 4.01Å; Q857-F862 HydrophobicContact CB-CE2 4.05Å; Q857-F862 HydrophobicContact CB-CZ 3.76Å; Q857-F862 HydrophobicContact CG-CD2 4.12Å; Q857-F862 HydrophobicContact CG-CE2 4Å; Q857-F862 HydrophobicContact CG-CG 4.43Å; Q857-F862 HydrophobicContact CG-CZ 4.21Å; Q857-F862 VanDerWaalsContact CG-O 3.29Å; Q857-F862 WeakPolarHBondContact CG-O 3.46Å; Q857-F862 PolarHBondContact NE2-O 3.5Å; D860-F862 PolarHBondContact O-N 3.46Å; F862-V865 HydrophobicContact CE2-CG2 3.86Å; F862-S888 VanDerWaalsContact CD2-CB 3.48Å; F862-S888 VanDerWaalsContact CG-CB 3.42Å; F862-D889 WeakPolarHBondContact CA-OD1 3.38Å; F862-D889 WeakPolarHBondContact CB-OD1 3.35Å; F862-Y893 HydrophobicContact CD1-CE2 4.46Å; F862-Y893 HydrophobicContact CE1-CE2 4.21Å | ||
| 863 | M | 73.2 | Confident | 78.8 | Confident | 155 Ų | 155 | 59 Ų | 59 | 76% | 0.764 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -84.8 | -36.9 | -175.2 | -67 | -67.6 | -66.6 | 0 | 0 | 112.8 | D889 | M863-D889 VanDerWaalsContact CB-OD2 3.24Å; M863-D889 WeakPolarHBondContact CB-OD2 3.14Å; M863-D889 PolarHBondContact N-OD1 3.18Å; M863-D889 PolarHBondContact N-OD2 2.98Å |
| 864 | R | 77.4 | Confident | 79 | Confident | 124 Ų | 124 | 58.3 Ų | 58.3 | 47% | 0.468 | 26% | 0.264 | S | S | . | . | trans | -146.9 | 152.8 | -177.7 | 63.4 | 178.3 | 175.2 | 177.2 | -2.7 | 112.7 | L866 S888 D889 | R864-L866 HydrophobicContact CG-CD2 4.07Å; R864-S888 WeakPolarHBondContact O-CA 3.43Å; R864-D889 HydrophobicContact CG-CB 4.46Å; R864-D889 PolarHBondContact O-N 3.15Å; R864-D889 VanDerWaalsContact O-N 3.15Å | ||
| 865 | V | 79 | Confident | 78.8 | Confident | 37 Ų | 37 | 58 Ų | 58 | 22% | 0.224 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 120.7 | 165.9 | 177.7 | 0 | 0 | 0 | 0 | 108 | F862 L886 | F862-V865 HydrophobicContact CE2-CG2 3.86Å; V865-L886 HydrophobicContact CB-CD1 4.25Å; V865-L886 HydrophobicContact CG1-CD1 3.37Å; V865-L886 HydrophobicContact CG2-CD1 3.86Å |
| 866 | L | 79.5 | Confident | 78.3 | Confident | 9 Ų | 9 | 60.8 Ų | 60.8 | 5% | 0.047 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | -40.7 | 177.8 | -64.5 | 179.9 | 0 | 0 | 0 | 111.4 | R864 I887 T956 L957 H960 | R864-L866 HydrophobicContact CG-CD2 4.07Å; L866-I887 HydrophobicContact CB-CG2 4.27Å; L866-I887 HydrophobicContact CD1-CG2 4.41Å; L866-I887 PolarHBondContact N-O 3.19Å; L866-T956 HydrophobicContact CB-CG2 4.32Å; L866-T956 HydrophobicContact CD2-CG2 4.43Å; L866-L957 HydrophobicContact CD1-CD2 4.41Å; L866-H960 HydrophobicContact CD1-CB 4.18Å |
| 867 | F | 84 | Confident | 77.8 | Confident | 2 Ų | 2 | 68.3 Ų | 68.3 | 1% | 0.009 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 137.1 | 179.8 | -171.7 | -95.7 | 0 | 0 | 0 | 111.2 | G830 Y832 C869 I887 L939 R949 L953 | G830-F867 CarbonylContact O-C 3.56Å; G830-F867 VanDerWaalsContact O-CA 3.22Å; G830-F867 WeakPolarHBondContact O-CA 3.3Å; Y832-F867 HydrophobicContact CD2-CD2 4.28Å; Y832-F867 AromaticContact CD2-CE2 3.74Å; Y832-F867 HydrophobicContact CD2-CE2 3.74Å; Y832-F867 HydrophobicContact CD2-CZ 4.11Å; Y832-F867 HydrophobicContact CE2-CD2 4.11Å; Y832-F867 AromaticContact CE2-CE2 3.54Å; Y832-F867 HydrophobicContact CE2-CE2 3.54Å; Y832-F867 HydrophobicContact CE2-CZ 4.28Å; F867-C869 HydrophobicContact CD1-CB 4.38Å; F867-C869 HydrophobicContact CE1-CB 3.51Å; F867-C869 HydrophobicContact CZ-CB 3.93Å; F867-I887 HydrophobicContact CB-CB 4.34Å; F867-I887 HydrophobicContact CB-CD1 4.34Å; F867-I887 HydrophobicContact CD1-CD1 4.49Å; F867-I887 PolarHBondContact N-O 3.37Å; F867-I887 VanDerWaalsContact N-O 3.14Å; F867-I887 PolarHBondContact O-N 2.79Å; F867-L939 HydrophobicContact CE1-CD1 4.49Å; F867-L939 HydrophobicContact CE1-CD2 4.28Å; F867-L939 HydrophobicContact CZ-CD1 4.25Å; F867-R949 HydrophobicContact CZ-CB 4.49Å; F867-L953 HydrophobicContact CB-CD1 3.95Å; F867-L953 HydrophobicContact CD1-CD1 3.67Å; F867-L953 HydrophobicContact CD2-CB 4.39Å; F867-L953 HydrophobicContact CD2-CD1 4.18Å; F867-L953 HydrophobicContact CE1-CD1 4.14Å; F867-L953 HydrophobicContact CE2-CB 4.22Å; F867-L953 HydrophobicContact CG-CD1 3.68Å; F867-L953 HydrophobicContact CZ-CB 4.38Å |
| 868 | S | 81.7 | Confident | 77.6 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 139.7 | 168.2 | 77.8 | 0 | 0 | 0 | 0 | 110.8 | G830 N831 Y832 V833 L885 | G830-S868 PolarHBondContact O-N 2.94Å; N831-S868 VanDerWaalsContact C-OG 3.27Å; N831-S868 WeakPolarHBondContact CA-OG 3.21Å; N831-S868 WeakPolarHBondContact OD1-CB 3.26Å; N831-S868 PolarHBondContact OD1-OG 2.91Å; Y832-S868 WeakPolarHBondContact CA-O 3.38Å; Y832-S868 WeakPolarHBondContact CB-O 3.44Å; Y832-S868 WeakPolarHBondContact CD2-O 3.49Å; Y832-S868 PolarHBondContact N-O 3.24Å; Y832-S868 PolarHBondContact N-OG 2.8Å; V833-S868 PolarHBondContact N-OG 2.96Å; S868-L885 CarbonylContact C-O 3.52Å; S868-L885 VanDerWaalsContact CA-O 3.25Å; S868-L885 WeakPolarHBondContact CA-O 3.39Å |
| 869 | C | 82.3 | Confident | 77.5 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.007 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 151.8 | 176.1 | -169.8 | 0 | 0 | 0 | 0 | 111.9 | F867 L885 L939 R949 | F867-C869 HydrophobicContact CD1-CB 4.38Å; F867-C869 HydrophobicContact CE1-CB 3.51Å; F867-C869 HydrophobicContact CZ-CB 3.93Å; C869-L885 PolarHBondContact N-O 2.87Å; C869-L885 PolarHBondContact O-N 3.47Å; C869-L939 HydrophobicContact CB-CD2 4.49Å; C869-R949 PolarHBondContact SG-NH1 2.91Å |
| 870 | N | 79.5 | Confident | 77.6 | Confident | 17 Ų | 17 | 60.1 Ų | 60.1 | 9% | 0.091 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 138.8 | 165.7 | -68.7 | -9 | 0 | 0 | 0 | 110.1 | Q940 M942 | N870-Q940 PolarHBondContact O-N 2.77Å; N870-M942 HydrophobicContact CB-CE 4.41Å |
| 871 | V | 83.5 | Confident | 77.9 | Confident | 3 Ų | 3 | 60.4 Ų | 60.4 | 2% | 0.018 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 144.4 | -171.8 | -58 | 0 | 0 | 0 | 0 | 110.8 | R883 L885 V937 C938 L939 | V871-R883 CarbonylContact C-O 3.5Å; V871-R883 HydrophobicContact CG2-CB 4.1Å; V871-R883 WeakPolarHBondContact CG2-O 3.44Å; V871-R883 PolarHBondContact N-O 3.35Å; V871-R883 CarbonylContact O-C 3.6Å; V871-R883 PolarHBondContact O-N 3.15Å; V871-L885 HydrophobicContact CG1-CB 3.86Å; V871-L885 HydrophobicContact CG2-CB 4.32Å; V871-V937 HydrophobicContact CB-CB 4.11Å; V871-V937 HydrophobicContact CB-CG1 4.25Å; V871-V937 HydrophobicContact CG1-CB 4.41Å; V871-V937 HydrophobicContact CG2-CB 4.36Å; V871-V937 HydrophobicContact CG2-CG1 3.94Å; V871-C938 CarbonylContact C-O 3.6Å; V871-C938 WeakPolarHBondContact CA-O 3.37Å; V871-L939 HydrophobicContact CG1-CD2 3.64Å |
| 872 | R | 83 | Confident | 78.1 | Confident | 47 Ų | 47 | 56.2 Ų | 56.2 | 18% | 0.177 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 131.3 | 166.3 | -170.9 | 166 | -89 | -167 | -15.8 | 108.8 | A880 D882 C938 P998 D999 F1000 | R872-A880 HydrophobicContact CG-CB 4.45Å; R872-D882 IonicContact CZ-OD1 3.4Å; R872-D882 IonicContact NE-OD1 3.13Å; R872-D882 PolarHBondContact NE-OD1 3.42Å; R872-D882 IonicContact NH2-OD1 3.7Å; R872-D882 IonicContact NH2-OD2 2.62Å; R872-C938 PolarHBondContact N-O 2.91Å; R872-C938 PolarHBondContact O-N 3.39Å; R872-P998 WeakPolarHBondContact CD-O 3.46Å; R872-P998 PolarHBondContact NH1-O 2.87Å; R872-D999 IonicContact NH1-OD1 3.98Å; R872-D999 IonicContact NH1-OD2 2.66Å; R872-F1000 HydrophobicContact CG-CD2 4.39Å; R872-F1000 WeakPolarHBondContact O-CE2 3.48Å |
| 873 | K | 82.4 | Confident | 78.4 | Confident | 34 Ų | 34 | 57.2 Ų | 57.2 | 15% | 0.148 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 151 | -174.6 | 172.2 | 173 | -178.6 | 173.8 | 0 | 110.6 | A880 E881 K894 L935 V937 | K873-A880 CarbonylContact O-C 3.56Å; K873-A880 WeakPolarHBondContact O-CA 3.5Å; K873-E881 PolarHBondContact N-O 3.4Å; K873-E881 PolarHBondContact O-N 2.94Å; K873-K894 HydrophobicContact CD-CD 4.46Å; K873-L935 HydrophobicContact CD-CD1 3.65Å; K873-V937 HydrophobicContact CB-CG1 4.31Å |
| 874 | I | 78.4 | Confident | 78.9 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 132.6 | 166.4 | -162.2 | 165 | 0 | 0 | 0 | 113.1 | M980 F1000 Y1007 | I874-M980 HydrophobicContact CG2-CE 3.43Å; I874-M980 VanDerWaalsContact CG2-CE 3.43Å; I874-F1000 HydrophobicContact CB-CB 4.38Å; I874-F1000 HydrophobicContact CB-CG 4.36Å; I874-F1000 HydrophobicContact CD1-CB 4.1Å; I874-Y1007 HydrophobicContact CD1-CD1 3.15Å; I874-Y1007 HydrophobicContact CD1-CD2 4.49Å; I874-Y1007 HydrophobicContact CD1-CE1 3.18Å; I874-Y1007 HydrophobicContact CD1-CG 3.85Å; I874-Y1007 HydrophobicContact CG1-CE1 4.33Å |
| 875 | N | 71.8 | Confident | 79.2 | Confident | 38 Ų | 38 | 44.1 Ų | 44.1 | 20% | 0.203 | 20% | 0.204 | C | C | . | . | trans | -90.8 | 171.6 | -179.9 | -164.1 | 6.8 | 0 | 0 | 0 | 112.6 | F877 H878 K879 E881 | N875-F877 PolarHBondContact O-N 3.47Å; N875-F877 VanDerWaalsContact O-N 3.16Å; N875-H878 PolarHBondContact O-N 3.4Å; N875-K879 PolarHBondContact N-O 3.34Å; N875-E881 HydrophobicContact CB-CG 4.41Å; N875-E881 PolarHBondContact ND2-OE1 2.89Å; N875-E881 PolarHBondContact ND2-OE2 3.46Å | ||
| 876 | R | 66.4 | Low | 79.5 | Confident | 165 Ų | 165 | 42.4 Ų | 42.4 | 62% | 0.623 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -28.4 | 177.2 | -63 | -173.1 | 171.1 | 167.4 | -0.1 | 113.4 | H878 | R876-H878 VanDerWaalsContact C-N 3.29Š|
| 877 | F | 68.3 | Low | 79.7 | Confident | 168 Ų | 168 | 42 Ų | 42 | 74% | 0.737 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90 | 15 | 177.9 | -56.3 | -71.9 | 0 | 0 | 0 | 113.6 | N875 K879 | N875-F877 PolarHBondContact O-N 3.47Å; N875-F877 VanDerWaalsContact O-N 3.16Å; F877-K879 PolarHBondContact O-N 3.37Å |
| 878 | H | 73.6 | Confident | 79.7 | Confident | 76 Ų | 76 | 41.9 Ų | 41.9 | 35% | 0.352 | 19% | 0.19 | S | C | . | . | S | Bend | trans | 61 | 18 | -178.9 | -48.1 | -68.5 | 0 | 0 | 0 | 115.7 | N875 R876 K1002 Y1007 | N875-H878 PolarHBondContact O-N 3.4Å; R876-H878 VanDerWaalsContact C-N 3.29Å; H878-K1002 HydrophobicContact CB-CD 4.17Å; H878-K1002 PolarHBondContact CD2-NZ 3.05Å; H878-K1002 VanDerWaalsContact CD2-NZ 3.35Å; H878-K1002 PolarHBondContact NE2-NZ 3.49Å; H878-K1002 VanDerWaalsContact NE2-NZ 3.12Å; H878-Y1007 PolarHBondContact CE1-OH 3.47Å; H878-Y1007 VanDerWaalsContact CE1-OH 3.24Å; H878-Y1007 AromaticContact ND1-CE1 3.5Å; H878-Y1007 AromaticContact ND1-CZ 3.61Å; H878-Y1007 PolarHBondContact ND1-OH 2.92Å |
| 879 | K | 75.9 | Confident | 79.7 | Confident | 151 Ų | 151 | 42.9 Ų | 42.9 | 66% | 0.657 | 20% | 0.196 | S | C | * | . | trans | -94.5 | 142.1 | 172.3 | -66.4 | -174.1 | 177.8 | -176.8 | 0 | 110.7 | N875 F877 | N875-K879 PolarHBondContact N-O 3.34Å; F877-K879 PolarHBondContact O-N 3.37Å | ||
| 880 | A | 79.6 | Confident | 79.7 | Confident | 34 Ų | 34 | 49 Ų | 49 | 28% | 0.281 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 136.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | R872 K873 D999 F1000 | R872-A880 HydrophobicContact CG-CB 4.45Å; K873-A880 CarbonylContact O-C 3.56Å; K873-A880 WeakPolarHBondContact O-CA 3.5Å; A880-D999 WeakPolarHBondContact CB-OD1 3.29Å; A880-F1000 HydrophobicContact CB-CB 4.3Å |
| 881 | E | 80.8 | Confident | 79.9 | Confident | 49 Ų | 49 | 50 Ų | 50 | 23% | 0.229 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 139.8 | -177.2 | -69.3 | 176.2 | -178.4 | 0 | 0 | 110.2 | K873 N875 R883 | K873-E881 PolarHBondContact N-O 3.4Å; K873-E881 PolarHBondContact O-N 2.94Å; N875-E881 HydrophobicContact CB-CG 4.41Å; N875-E881 PolarHBondContact ND2-OE1 2.89Å; N875-E881 PolarHBondContact ND2-OE2 3.46Å; E881-R883 IonicContact OE2-CZ 3.43Å; E881-R883 IonicContact OE2-NE 3.21Å; E881-R883 IonicContact OE2-NH1 3.48Å; E881-R883 IonicContact OE2-NH2 2.73Å; E881-R883 PolarHBondContact OE2-NH2 3.03Å |
| 882 | D | 81.4 | Confident | 79.9 | Confident | 65 Ų | 65 | 49.9 Ų | 49.9 | 35% | 0.348 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 129.6 | 174.5 | -65.3 | -36 | 0 | 0 | 0 | 110.2 | R872 Q940 | R872-D882 IonicContact CZ-OD1 3.4Å; R872-D882 IonicContact NE-OD1 3.13Å; R872-D882 PolarHBondContact NE-OD1 3.42Å; R872-D882 IonicContact NH2-OD1 3.7Å; R872-D882 IonicContact NH2-OD2 2.62Å; D882-Q940 VanDerWaalsContact CG-NE2 3.28Å; D882-Q940 PolarHBondContact OD1-NE2 3.38Å |
| 883 | R | 85.6 | Confident | 80 | Confident | 26 Ų | 26 | 47.8 Ų | 47.8 | 10% | 0.098 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 168 | -175.9 | -67.3 | -65.2 | -177.6 | -95 | 4.5 | 109.6 | V871 E881 M895 D896 M904 | V871-R883 CarbonylContact C-O 3.5Å; V871-R883 HydrophobicContact CG2-CB 4.1Å; V871-R883 WeakPolarHBondContact CG2-O 3.44Å; V871-R883 PolarHBondContact N-O 3.35Å; V871-R883 CarbonylContact O-C 3.6Å; V871-R883 PolarHBondContact O-N 3.15Å; E881-R883 IonicContact OE2-CZ 3.43Å; E881-R883 IonicContact OE2-NE 3.21Å; E881-R883 IonicContact OE2-NH1 3.48Å; E881-R883 IonicContact OE2-NH2 2.73Å; E881-R883 PolarHBondContact OE2-NH2 3.03Å; R883-M895 WeakPolarHBondContact CD-O 3.22Å; R883-D896 IonicContact NH1-OD1 3.89Å; R883-M904 PolarHBondContact NE-SD 3.38Å |
| 884 | A | 82.4 | Confident | 80 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.008 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 144.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | M895 P897 Y901 | A884-M895 HydrophobicContact CB-CB 4.07Å; A884-M895 PolarHBondContact N-O 3.25Å; A884-M895 PolarHBondContact O-N 3.05Å; A884-P897 HydrophobicContact CB-CG 4.12Å; A884-Y901 HydrophobicContact CB-CD1 3.63Å; A884-Y901 HydrophobicContact CB-CE1 3.57Å |
| 885 | L | 84.3 | Confident | 80.3 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 125.4 | 178.2 | -166.5 | 91.4 | 0 | 0 | 0 | 108.6 | S868 C869 V871 I887 L892 F927 L935 | S868-L885 CarbonylContact C-O 3.52Å; S868-L885 VanDerWaalsContact CA-O 3.25Å; S868-L885 WeakPolarHBondContact CA-O 3.39Å; C869-L885 PolarHBondContact N-O 2.87Å; C869-L885 PolarHBondContact O-N 3.47Å; V871-L885 HydrophobicContact CG1-CB 3.86Å; V871-L885 HydrophobicContact CG2-CB 4.32Å; L885-I887 HydrophobicContact CD2-CD1 3.71Å; L885-I887 HydrophobicContact CD2-CG1 3.85Å; L885-I887 HydrophobicContact CG-CG1 4.21Å; L885-L892 HydrophobicContact CD1-CD1 4.32Å; L885-L892 HydrophobicContact CD1-CD2 3.79Å; L885-L892 HydrophobicContact CD1-CG 4.08Å; L885-F927 HydrophobicContact CD1-CE2 4.47Å; L885-F927 HydrophobicContact CD2-CE2 4.09Å; L885-F927 HydrophobicContact CD2-CZ 3.99Å; L885-L935 HydrophobicContact CD1-CD2 3.79Å |
| 886 | L | 84.1 | Confident | 80.7 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 120.5 | 169.4 | 172.6 | 68.8 | 0 | 0 | 0 | 108.4 | F849 L856 V865 Y893 M895 | F849-L886 HydrophobicContact CZ-CD1 4.05Å; L856-L886 HydrophobicContact CD1-CD2 4.43Å; V865-L886 HydrophobicContact CB-CD1 4.25Å; V865-L886 HydrophobicContact CG1-CD1 3.37Å; V865-L886 HydrophobicContact CG2-CD1 3.86Å; L886-Y893 HydrophobicContact CB-CD2 4.36Å; L886-Y893 HydrophobicContact CD2-CD2 3.96Å; L886-Y893 HydrophobicContact CG-CD2 4.12Å; L886-Y893 PolarHBondContact N-O 2.79Å; L886-Y893 VanDerWaalsContact N-O 3.1Å; L886-Y893 PolarHBondContact O-N 3.15Å; L886-M895 HydrophobicContact CB-CE 3.95Å; L886-M895 HydrophobicContact CB-SD 4.06Å; L886-M895 HydrophobicContact CD2-CE 3.47Å; L886-M895 VanDerWaalsContact CD2-CE 3.47Å; L886-M895 HydrophobicContact CD2-SD 4.47Å; L886-M895 HydrophobicContact CG-CE 4.34Å |
| 887 | I | 84.4 | Confident | 81.3 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 113.1 | 175.4 | -57 | 176.5 | 0 | 0 | 0 | 107.7 | L866 F867 L885 L892 L909 F927 L953 L957 | L866-I887 HydrophobicContact CB-CG2 4.27Å; L866-I887 HydrophobicContact CD1-CG2 4.41Å; L866-I887 PolarHBondContact N-O 3.19Å; F867-I887 HydrophobicContact CB-CB 4.34Å; F867-I887 HydrophobicContact CB-CD1 4.34Å; F867-I887 HydrophobicContact CD1-CD1 4.49Å; F867-I887 PolarHBondContact N-O 3.37Å; F867-I887 VanDerWaalsContact N-O 3.14Å; F867-I887 PolarHBondContact O-N 2.79Å; L885-I887 HydrophobicContact CD2-CD1 3.71Å; L885-I887 HydrophobicContact CD2-CG1 3.85Å; L885-I887 HydrophobicContact CG-CG1 4.21Å; I887-L892 HydrophobicContact CG1-CD1 4.43Å; I887-L892 HydrophobicContact CG1-CG 4.24Å; I887-L909 HydrophobicContact CG2-CD1 4.24Å; I887-L909 HydrophobicContact CG2-CD2 4.25Å; I887-F927 HydrophobicContact CD1-CE1 4.09Å; I887-F927 HydrophobicContact CD1-CZ 3.95Å; I887-L953 HydrophobicContact CD1-CD1 3.68Å; I887-L957 HydrophobicContact CG2-CD2 4.16Å |
| 888 | S | 84.4 | Confident | 81.7 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | -179 | 167.1 | 71.6 | 0 | 0 | 0 | 0 | 111 | F862 R864 R890 H891 L909 | F862-S888 VanDerWaalsContact CD2-CB 3.48Å; F862-S888 VanDerWaalsContact CG-CB 3.42Å; R864-S888 WeakPolarHBondContact O-CA 3.43Å; S888-R890 PolarHBondContact O-N 3.01Å; S888-R890 PolarHBondContact OG-N 3.38Å; S888-H891 PolarHBondContact N-O 2.76Å; S888-H891 PolarHBondContact OG-N 3.41Å; S888-H891 PolarHBondContact OG-O 2.82Å; S888-L909 WeakPolarHBondContact O-CD1 3.33Å |
| 889 | D | 80.6 | Confident | 81.9 | Confident | 22 Ų | 22 | 42.5 Ų | 42.5 | 12% | 0.118 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -63.4 | -17.8 | 171.2 | 61.2 | 3.2 | 0 | 0 | 0 | 114.2 | F862 M863 R864 L909 H960 | F862-D889 WeakPolarHBondContact CA-OD1 3.38Å; F862-D889 WeakPolarHBondContact CB-OD1 3.35Å; M863-D889 VanDerWaalsContact CB-OD2 3.24Å; M863-D889 WeakPolarHBondContact CB-OD2 3.14Å; M863-D889 PolarHBondContact N-OD1 3.18Å; M863-D889 PolarHBondContact N-OD2 2.98Å; R864-D889 HydrophobicContact CG-CB 4.46Å; R864-D889 PolarHBondContact O-N 3.15Å; R864-D889 VanDerWaalsContact O-N 3.15Å; D889-L909 WeakPolarHBondContact O-CD1 3.16Å; D889-H960 PolarHBondContact O-CE1 2.89Å |
| 890 | R | 82.1 | Confident | 81.8 | Confident | 129 Ų | 129 | 42.1 Ų | 42.1 | 49% | 0.487 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -118.6 | -31.9 | -176.1 | -71.9 | 178.9 | 179.5 | -170.5 | -0.8 | 115.4 | K861 S888 L909 | K861-R890 VanDerWaalsContact O-CZ 3.3Å; K861-R890 PolarHBondContact O-NH1 2.83Å; S888-R890 PolarHBondContact O-N 3.01Å; S888-R890 PolarHBondContact OG-N 3.38Å; R890-L909 PolarHBondContact O-N 3.43Å |
| 891 | H | 83.9 | Confident | 81.7 | Confident | 38 Ų | 38 | 41.1 Ų | 41.1 | 18% | 0.176 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 148.4 | -170.2 | -68.6 | 94.7 | 0 | 0 | 0 | 112.2 | S888 Y893 | S888-H891 PolarHBondContact N-O 2.76Å; S888-H891 PolarHBondContact OG-N 3.41Å; S888-H891 PolarHBondContact OG-O 2.82Å; H891-Y893 HydrophobicContact CB-CD2 4.29Å; H891-Y893 HydrophobicContact CB-CE1 4.02Å; H891-Y893 HydrophobicContact CB-CE2 3.58Å; H891-Y893 VanDerWaalsContact CB-CZ 3.41Å; H891-Y893 WeakPolarHBondContact CB-OH 3.48Å |
| 892 | L | 84.7 | Confident | 81.6 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 116 | 166.9 | -177.4 | 162.1 | 0 | 0 | 0 | 108.1 | L885 I887 I907 F927 L935 | L885-L892 HydrophobicContact CD1-CD1 4.32Å; L885-L892 HydrophobicContact CD1-CD2 3.79Å; L885-L892 HydrophobicContact CD1-CG 4.08Å; I887-L892 HydrophobicContact CG1-CD1 4.43Å; I887-L892 HydrophobicContact CG1-CG 4.24Å; L892-I907 HydrophobicContact CB-CB 4.39Å; L892-I907 HydrophobicContact CD2-CD1 4.35Å; L892-I907 PolarHBondContact N-O 3.18Å; L892-I907 PolarHBondContact O-N 3.22Å; L892-F927 HydrophobicContact CD1-CD1 3.85Å; L892-F927 HydrophobicContact CD1-CD2 4.3Å; L892-F927 HydrophobicContact CD1-CE1 3.95Å; L892-F927 HydrophobicContact CD1-CE2 4.4Å; L892-F927 HydrophobicContact CD1-CG 4.03Å; L892-F927 HydrophobicContact CD1-CZ 4.23Å; L892-L935 HydrophobicContact CD1-CD2 4.32Å; L892-L935 HydrophobicContact CD2-CD2 3.62Å |
| 893 | Y | 84.1 | Confident | 81.4 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 133.5 | 178.1 | -56.2 | -83 | 0 | 0 | 0 | 111 | L856 D860 F862 L886 H891 M895 | L856-Y893 HydrophobicContact CD1-CD1 4.25Å; L856-Y893 HydrophobicContact CD1-CE1 4.42Å; L856-Y893 HydrophobicContact CD1-CG 4.31Å; L856-Y893 HydrophobicContact CD2-CD1 4.34Å; L856-Y893 HydrophobicContact CD2-CE1 3.96Å; D860-Y893 WeakPolarHBondContact CB-OH 3.34Å; D860-Y893 VanDerWaalsContact CG-OH 3.28Å; D860-Y893 WeakPolarHBondContact OD2-CE1 3.43Å; D860-Y893 PolarHBondContact OD2-OH 3.37Å; F862-Y893 HydrophobicContact CD1-CE2 4.46Å; F862-Y893 HydrophobicContact CE1-CE2 4.21Å; L886-Y893 HydrophobicContact CB-CD2 4.36Å; L886-Y893 HydrophobicContact CD2-CD2 3.96Å; L886-Y893 HydrophobicContact CG-CD2 4.12Å; L886-Y893 PolarHBondContact N-O 2.79Å; L886-Y893 VanDerWaalsContact N-O 3.1Å; L886-Y893 PolarHBondContact O-N 3.15Å; H891-Y893 HydrophobicContact CB-CD2 4.29Å; H891-Y893 HydrophobicContact CB-CE1 4.02Å; H891-Y893 HydrophobicContact CB-CE2 3.58Å; H891-Y893 VanDerWaalsContact CB-CZ 3.41Å; H891-Y893 WeakPolarHBondContact CB-OH 3.48Å; Y893-M895 HydrophobicContact CG-CE 4.47Å |
| 894 | K | 83.6 | Confident | 81 | Confident | 26 Ų | 26 | 48.8 Ų | 48.8 | 11% | 0.113 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 119.9 | 164.2 | -177.6 | -165.1 | 172.9 | -162.8 | 0 | 108.5 | K873 M904 K905 | K873-K894 HydrophobicContact CD-CD 4.46Å; K894-M904 PolarHBondContact O-N 3.4Å; K894-K905 HydrophobicContact CB-CB 4.31Å; K894-K905 PolarHBondContact N-O 2.87Å; K894-K905 PolarHBondContact O-N 2.94Å |
| 895 | M | 83.6 | Confident | 80.9 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 157.2 | -178.4 | -66.6 | 169.9 | 170.4 | 0 | 0 | 111.5 | F849 V852 L856 R883 A884 L886 Y893 Y901 | F849-M895 HydrophobicContact CD2-SD 4.34Å; F849-M895 HydrophobicContact CE2-SD 3.77Å; V852-M895 HydrophobicContact CG1-CE 4.31Å; L856-M895 HydrophobicContact CD1-CE 3.23Å; R883-M895 WeakPolarHBondContact CD-O 3.22Å; A884-M895 HydrophobicContact CB-CB 4.07Å; A884-M895 PolarHBondContact N-O 3.25Å; A884-M895 PolarHBondContact O-N 3.05Å; L886-M895 HydrophobicContact CB-CE 3.95Å; L886-M895 HydrophobicContact CB-SD 4.06Å; L886-M895 HydrophobicContact CD2-CE 3.47Å; L886-M895 VanDerWaalsContact CD2-CE 3.47Å; L886-M895 HydrophobicContact CD2-SD 4.47Å; L886-M895 HydrophobicContact CG-CE 4.34Å; Y893-M895 HydrophobicContact CG-CE 4.47Å; M895-Y901 HydrophobicContact CB-CD1 4.45Å; M895-Y901 WeakPolarHBondContact CB-O 3.31Å; M895-Y901 WeakPolarHBondContact CG-O 3.36Å |
| 896 | D | 81.4 | Confident | 80.8 | Confident | 10 Ų | 10 | 56.3 Ų | 56.3 | 5% | 0.053 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 108.5 | 176.3 | -166.7 | -12.2 | 0 | 0 | 0 | 111.1 | R883 L898 K899 Y901 K902 M904 | R883-D896 IonicContact NH1-OD1 3.89Å; D896-L898 PolarHBondContact O-N 3.05Å; D896-L898 PolarHBondContact OD1-N 3.46Å; D896-K899 HydrophobicContact CB-CB 4.29Å; D896-K899 CarbonylContact O-C 3.59Å; D896-K899 PolarHBondContact O-N 3.41Å; D896-K899 VanDerWaalsContact O-N 3.17Å; D896-Y901 WeakPolarHBondContact O-CA 3.25Å; D896-Y901 PolarHBondContact O-N 3.26Å; D896-K902 PolarHBondContact N-O 3.08Å; D896-M904 HydrophobicContact CB-CG 4.11Å; D896-M904 HydrophobicContact CB-SD 3.99Å |
| 897 | P | 77.4 | Confident | 80.7 | Confident | 36 Ų | 36 | 57 Ų | 57 | 23% | 0.234 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -58.9 | -33 | 179.5 | -24.4 | 33.4 | 0 | 0 | 0 | 113.6 | A884 K899 Y901 | A884-P897 HydrophobicContact CB-CG 4.12Å; P897-K899 VanDerWaalsContact C-N 3.27Å; P897-K899 PolarHBondContact O-N 3.22Å; P897-Y901 HydrophobicContact CB-CE1 4.15Å; P897-Y901 HydrophobicContact CG-CE1 4.19Å |
| 898 | L | 76.6 | Confident | 80.7 | Confident | 157 Ų | 157 | 58.1 Ų | 58.1 | 82% | 0.822 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -73 | -20.5 | -178.9 | -65.6 | 173.4 | 0 | 0 | 0 | 112.7 | D896 | D896-L898 PolarHBondContact O-N 3.05Å; D896-L898 PolarHBondContact OD1-N 3.46Å |
| 899 | K | 78 | Confident | 80.5 | Confident | 143 Ų | 143 | 58.7 Ų | 58.7 | 62% | 0.622 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -111.3 | 48.2 | 178.3 | -61.4 | -173.2 | 179.3 | -172.6 | 0 | 111 | D896 P897 Y901 K902 | D896-K899 HydrophobicContact CB-CB 4.29Å; D896-K899 CarbonylContact O-C 3.59Å; D896-K899 PolarHBondContact O-N 3.41Å; D896-K899 VanDerWaalsContact O-N 3.17Å; P897-K899 VanDerWaalsContact C-N 3.27Å; P897-K899 PolarHBondContact O-N 3.22Å; K899-Y901 PolarHBondContact O-N 2.92Å; K899-Y901 VanDerWaalsContact O-N 3.12Å; K899-K902 WeakPolarHBondContact O-CB 3.5Å; K899-K902 PolarHBondContact O-N 3.25Å |
| 900 | Q | 74.8 | Confident | 80.5 | Confident | 143 Ų | 143 | 63.8 Ų | 63.8 | 67% | 0.668 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 43.1 | 179.1 | -64.9 | 177.3 | -17.2 | 0 | 0 | 113.1 | K902 | Q900-K902 PolarHBondContact O-N 3.11Å; Q900-K902 VanDerWaalsContact O-N 3.17Å |
| 901 | Y | 76.7 | Confident | 80.6 | Confident | 12 Ų | 12 | 58.8 Ų | 58.8 | 5% | 0.047 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 23.8 | 178.4 | -62.8 | -94.8 | 0 | 0 | 0 | 115.7 | V833 T845 F849 A884 M895 D896 P897 K899 | V833-Y901 HydrophobicContact CG1-CD1 4.47Å; V833-Y901 HydrophobicContact CG1-CE1 3.88Å; T845-Y901 HydrophobicContact CG2-CE2 3.51Å; F849-Y901 HydrophobicContact CB-CD2 4.42Å; F849-Y901 AromaticContact CD2-CD1 3.79Å; F849-Y901 HydrophobicContact CD2-CD1 3.79Å; F849-Y901 HydrophobicContact CD2-CE1 4.4Å; F849-Y901 AromaticContact CD2-CG 3.88Å; F849-Y901 HydrophobicContact CD2-CG 3.88Å; F849-Y901 HydrophobicContact CE2-CD1 4.29Å; A884-Y901 HydrophobicContact CB-CD1 3.63Å; A884-Y901 HydrophobicContact CB-CE1 3.57Å; M895-Y901 HydrophobicContact CB-CD1 4.45Å; M895-Y901 WeakPolarHBondContact CB-O 3.31Å; M895-Y901 WeakPolarHBondContact CG-O 3.36Å; D896-Y901 WeakPolarHBondContact O-CA 3.25Å; D896-Y901 PolarHBondContact O-N 3.26Å; P897-Y901 HydrophobicContact CB-CE1 4.15Å; P897-Y901 HydrophobicContact CG-CE1 4.19Å; K899-Y901 PolarHBondContact O-N 2.92Å; K899-Y901 VanDerWaalsContact O-N 3.12Å |
| 902 | K | 78.9 | Confident | 80.6 | Confident | 146 Ų | 146 | 57.5 Ų | 57.5 | 64% | 0.635 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.1 | 131.6 | 176.1 | -168.6 | 172 | -176.5 | 169 | 0 | 111.3 | D896 K899 Q900 M904 | D896-K902 PolarHBondContact N-O 3.08Å; K899-K902 WeakPolarHBondContact O-CB 3.5Å; K899-K902 PolarHBondContact O-N 3.25Å; Q900-K902 PolarHBondContact O-N 3.11Å; Q900-K902 VanDerWaalsContact O-N 3.17Å; K902-M904 PolarHBondContact O-N 2.96Å |
| 903 | P | 77.8 | Confident | 80.5 | Confident | 56 Ų | 56 | 60.5 Ų | 60.5 | 36% | 0.364 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 123.7 | -179.9 | 27.2 | -35.3 | 0 | 0 | 0 | 110.4 | L856 | L856-P903 HydrophobicContact CD1-CB 4.45Å; L856-P903 HydrophobicContact CD2-CB 4.46Å; L856-P903 HydrophobicContact CD2-CG 4.17Å |
| 904 | M | 77.9 | Confident | 80.5 | Confident | 99 Ų | 99 | 60.5 Ų | 60.5 | 49% | 0.488 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -39.1 | 177.5 | -59.1 | -170.7 | 84 | 0 | 0 | 112.4 | R883 K894 D896 K902 | R883-M904 PolarHBondContact NE-SD 3.38Å; K894-M904 PolarHBondContact O-N 3.4Å; D896-M904 HydrophobicContact CB-CG 4.11Å; D896-M904 HydrophobicContact CB-SD 3.99Å; K902-M904 PolarHBondContact O-N 2.96Å |
| 905 | K | 79.6 | Confident | 80.7 | Confident | 93 Ų | 93 | 59.4 Ų | 59.4 | 40% | 0.404 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 130.3 | -177 | -169.9 | -178.5 | -179.8 | -166.9 | 0 | 109.1 | K894 I907 | K894-K905 HydrophobicContact CB-CB 4.31Å; K894-K905 PolarHBondContact N-O 2.87Å; K894-K905 PolarHBondContact O-N 2.94Å; K905-I907 HydrophobicContact CD-CD1 4.5Å; K905-I907 HydrophobicContact CD-CG1 4.39Å; K905-I907 HydrophobicContact CG-CG1 4.44Å |
| 906 | S | 81.9 | Confident | 80.9 | Confident | 69 Ų | 69 | 59.6 Ų | 59.6 | 48% | 0.483 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 136.7 | 168.2 | 53.1 | 0 | 0 | 0 | 0 | 109.7 | ||
| 907 | I | 82.9 | Confident | 81.2 | Confident | 15 Ų | 15 | 59.1 Ų | 59.1 | 8% | 0.077 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 114.5 | 173.5 | -57.9 | 177.5 | 0 | 0 | 0 | 106.5 | L892 K905 N911 T929 | L892-I907 HydrophobicContact CB-CB 4.39Å; L892-I907 HydrophobicContact CD2-CD1 4.35Å; L892-I907 PolarHBondContact N-O 3.18Å; L892-I907 PolarHBondContact O-N 3.22Å; K905-I907 HydrophobicContact CD-CD1 4.5Å; K905-I907 HydrophobicContact CD-CG1 4.39Å; K905-I907 HydrophobicContact CG-CG1 4.44Å; I907-N911 HydrophobicContact CG2-CB 4.27Å; I907-T929 HydrophobicContact CG2-CG2 4.3Å |
| 908 | P | 83 | Confident | 81.4 | Confident | 23 Ų | 23 | 57.5 Ų | 57.5 | 15% | 0.149 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 139 | 174.2 | -23 | 33.7 | 0 | 0 | 0 | 111.5 | Y910 N911 | P908-Y910 HydrophobicContact CB-CD1 3.44Å; P908-Y910 VanDerWaalsContact CB-CD1 3.44Å; P908-Y910 HydrophobicContact CB-CE1 3.06Å; P908-Y910 HydrophobicContact CB-CE2 4.33Å; P908-Y910 HydrophobicContact CB-CG 4.22Å; P908-Y910 HydrophobicContact CG-CE1 3.75Å; P908-Y910 PolarHBondContact O-N 2.9Å; P908-N911 WeakPolarHBondContact O-CB 3.31Å; P908-N911 PolarHBondContact O-N 3.18Å |
| 909 | L | 81.4 | Confident | 81.5 | Confident | 12 Ų | 12 | 53 Ų | 53 | 6% | 0.063 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -63.2 | -25.3 | -176.2 | -87.6 | 175.1 | 0 | 0 | 0 | 113.3 | I887 S888 D889 R890 N911 V912 | I887-L909 HydrophobicContact CG2-CD1 4.24Å; I887-L909 HydrophobicContact CG2-CD2 4.25Å; S888-L909 WeakPolarHBondContact O-CD1 3.33Å; D889-L909 WeakPolarHBondContact O-CD1 3.16Å; R890-L909 PolarHBondContact O-N 3.43Å; L909-N911 PolarHBondContact O-N 3.1Å; L909-V912 HydrophobicContact CD2-CG2 4.26Å; L909-V912 WeakPolarHBondContact O-CB 3.37Å; L909-V912 PolarHBondContact O-N 3.16Å |
| 910 | Y | 79.9 | Confident | 81.4 | Confident | 129 Ų | 129 | 47.7 Ų | 47.7 | 51% | 0.506 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -66 | -16.8 | 173.5 | 69.5 | -103 | 0 | 0 | 0 | 113.6 | P908 K930 | P908-Y910 HydrophobicContact CB-CD1 3.44Å; P908-Y910 VanDerWaalsContact CB-CD1 3.44Å; P908-Y910 HydrophobicContact CB-CE1 3.06Å; P908-Y910 HydrophobicContact CB-CE2 4.33Å; P908-Y910 HydrophobicContact CB-CG 4.22Å; P908-Y910 HydrophobicContact CG-CE1 3.75Å; P908-Y910 PolarHBondContact O-N 2.9Å; Y910-K930 WeakPolarHBondContact O-CE 3.27Å |
| 911 | N | 83.8 | Confident | 81.2 | Confident | 24 Ų | 24 | 48.7 Ų | 48.7 | 13% | 0.128 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -84.8 | -10.4 | 173.6 | -83.6 | -1.8 | 0 | 0 | 0 | 112.9 | I907 P908 L909 T929 K930 | I907-N911 HydrophobicContact CG2-CB 4.27Å; P908-N911 WeakPolarHBondContact O-CB 3.31Å; P908-N911 PolarHBondContact O-N 3.18Å; L909-N911 PolarHBondContact O-N 3.1Å; N911-T929 CarbonylContact O-C 3.51Å; N911-T929 VanDerWaalsContact O-CA 3.24Å; N911-T929 WeakPolarHBondContact O-CA 3.45Å; N911-K930 PolarHBondContact O-N 3.21Å |
| 912 | V | 84.1 | Confident | 81.1 | Confident | 11 Ų | 11 | 48.6 Ų | 48.6 | 7% | 0.067 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 113.8 | 175.2 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | L909 F927 H928 L968 | L909-V912 HydrophobicContact CD2-CG2 4.26Å; L909-V912 WeakPolarHBondContact O-CB 3.37Å; L909-V912 PolarHBondContact O-N 3.16Å; V912-F927 HydrophobicContact CG1-CD1 4.27Å; V912-H928 CarbonylContact C-O 3.53Å; V912-H928 WeakPolarHBondContact CA-O 3.44Å; V912-L968 HydrophobicContact CG1-CD1 4.29Å |
| 913 | T | 82.8 | Confident | 81.1 | Confident | 64 Ų | 64 | 42 Ų | 42 | 39% | 0.393 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | -28.5 | -176.2 | 50.8 | 0 | 0 | 0 | 0 | 112.9 | H928 K930 | T913-H928 PolarHBondContact N-O 3.03Å; T913-H928 PolarHBondContact OG1-O 3.5Å; T913-K930 HydrophobicContact CG2-CD 4.49Å; T913-K930 HydrophobicContact CG2-CG 3.45Å; T913-K930 VanDerWaalsContact CG2-CG 3.45Å |
| 914 | G | 85.3 | Confident | 81.5 | Confident | 3 Ų | 3 | 39.3 Ų | 39.3 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.1 | 168.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | H928 Q969 | G914-H928 PolarHBondContact O-N 3.44Å; G914-Q969 CarbonylContact C-O 3.59Å; G914-Q969 WeakPolarHBondContact CA-O 3.38Å |
| 915 | L | 87.7 | Confident | 81.8 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 119.7 | 179.9 | -172.3 | 119 | 0 | 0 | 0 | 108.5 | V917 V925 V926 F927 V954 L957 Q969 V970 N971 | L915-V917 HydrophobicContact CD2-CG1 3.54Å; L915-V917 HydrophobicContact CG-CG1 4.4Å; L915-V925 HydrophobicContact CD1-CG1 3.59Å; L915-V925 HydrophobicContact CD2-CG1 4.35Å; L915-V925 HydrophobicContact CG-CG1 3.9Å; L915-V926 WeakPolarHBondContact CA-O 3.46Å; L915-F927 HydrophobicContact CD1-CD1 3.75Å; L915-F927 HydrophobicContact CD1-CE1 3.48Å; L915-F927 VanDerWaalsContact CD1-CE1 3.48Å; L915-F927 HydrophobicContact CD1-CZ 4.06Å; L915-V954 HydrophobicContact CD2-CG2 3.53Å; L915-L957 HydrophobicContact CD1-CD1 4.08Å; L915-Q969 PolarHBondContact N-O 3.3Å; L915-V970 VanDerWaalsContact O-CA 3.3Å; L915-V970 WeakPolarHBondContact O-CA 3.47Å; L915-N971 PolarHBondContact O-N 3.33Å |
| 916 | S | 87.5 | Confident | 82.2 | Confident | 4 Ų | 4 | 30.2 Ų | 30.2 | 3% | 0.028 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 131.5 | 173.7 | -64.4 | 0 | 0 | 0 | 0 | 110.2 | V926 H928 N971 | S916-V926 PolarHBondContact N-O 2.99Å; S916-V926 PolarHBondContact O-N 3.22Å; S916-H928 WeakPolarHBondContact CB-NE2 3.29Å; S916-H928 PolarHBondContact OG-CD2 3.23Å; S916-H928 PolarHBondContact OG-NE2 3.12Å; S916-N971 VanDerWaalsContact CA-O 3.3Å; S916-N971 WeakPolarHBondContact CA-O 3.12Å |
| 917 | V | 86.5 | Confident | 82.4 | Confident | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 152.6 | 178.2 | -64 | 0 | 0 | 0 | 0 | 109.6 | L915 V925 I950 V954 N971 I972 T973 | L915-V917 HydrophobicContact CD2-CG1 3.54Å; L915-V917 HydrophobicContact CG-CG1 4.4Å; V917-V925 HydrophobicContact CG1-CG2 4.38Å; V917-I950 HydrophobicContact CB-CG2 4.17Å; V917-I950 HydrophobicContact CG1-CG2 3.81Å; V917-V954 HydrophobicContact CG1-CG2 4.26Å; V917-N971 PolarHBondContact N-O 2.67Å; V917-I972 HydrophobicContact CG2-CG1 3.97Å; V917-I972 VanDerWaalsContact O-CA 3.29Å; V917-I972 WeakPolarHBondContact O-CA 3.19Å; V917-T973 PolarHBondContact O-N 3.23Å; V917-T973 VanDerWaalsContact O-N 3.15Å |
| 918 | S | 83 | Confident | 82.5 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.007 | 15% | 0.146 | C | C | . | . | trans | -79.7 | 154.9 | 174.2 | 56.5 | 0 | 0 | 0 | 0 | 111.8 | R819 G920 D922 | R819-S918 PolarHBondContact NH1-O 2.85Å; S918-G920 VanDerWaalsContact C-N 3.27Å; S918-G920 PolarHBondContact O-N 3.17Å; S918-D922 WeakPolarHBondContact CB-OD1 3.34Å; S918-D922 WeakPolarHBondContact CB-OD2 3.43Å; S918-D922 PolarHBondContact OG-OD1 2.94Å; S918-D922 PolarHBondContact OG-OD2 3.45Å | ||
| 919 | P | 78.2 | Confident | 82.5 | Confident | 64 Ų | 64 | 27.2 Ų | 27.2 | 42% | 0.416 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -75.1 | -13.5 | 172.7 | 29.6 | -33.2 | 0 | 0 | 0 | 113.5 | I972 | P919-I972 HydrophobicContact CB-CG2 4.05Š|
| 920 | G | 75.5 | Confident | 82.5 | Confident | 30 Ų | 30 | 32.8 Ų | 32.8 | 31% | 0.309 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -78.5 | -178.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | R819 S918 D922 | R819-G920 PolarHBondContact NE-O 2.93Å; R819-G920 PolarHBondContact NH1-O 3.44Å; R819-G920 PolarHBondContact NH2-O 3.47Å; R819-G920 VanDerWaalsContact NH2-O 3.1Å; S918-G920 VanDerWaalsContact C-N 3.27Å; S918-G920 PolarHBondContact O-N 3.17Å; G920-D922 VanDerWaalsContact CA-OD1 3.31Å; G920-D922 WeakPolarHBondContact CA-OD1 3.33Å; G920-D922 PolarHBondContact O-N 3.22Å |
| 921 | K | 70.8 | Confident | 82.4 | Confident | 164 Ų | 164 | 31.7 Ų | 31.7 | 71% | 0.713 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -80.2 | 6.8 | 171 | -67.1 | -174.4 | -180 | -179.4 | 0 | 113 | R941 | K921-R941 PolarHBondContact O-NH2 3.32Š|
| 922 | D | 74.5 | Confident | 81.9 | Confident | 11 Ų | 11 | 33.6 Ų | 33.6 | 6% | 0.059 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -75.1 | 155.5 | 174.8 | 62.6 | -73.6 | 0 | 0 | 0 | 110.5 | R819 S918 G920 L924 I950 V989 V1011 | R819-D922 PolarHBondContact NH2-O 3.41Å; S918-D922 WeakPolarHBondContact CB-OD1 3.34Å; S918-D922 WeakPolarHBondContact CB-OD2 3.43Å; S918-D922 PolarHBondContact OG-OD1 2.94Å; S918-D922 PolarHBondContact OG-OD2 3.45Å; G920-D922 VanDerWaalsContact CA-OD1 3.31Å; G920-D922 WeakPolarHBondContact CA-OD1 3.33Å; G920-D922 PolarHBondContact O-N 3.22Å; D922-L924 WeakPolarHBondContact OD2-CB 3.48Å; D922-L924 PolarHBondContact OD2-N 2.74Å; D922-I950 WeakPolarHBondContact O-CD1 3.39Å; D922-V989 HydrophobicContact CB-CG1 3.95Å; D922-V1011 HydrophobicContact CB-CG1 4.03Å |
| 923 | Q | 80 | Confident | 81.7 | Confident | 7 Ų | 7 | 39.5 Ų | 39.5 | 3% | 0.033 | 21% | 0.205 | C | C | . | . | trans | -102.9 | 33.4 | -178.9 | -56.2 | -166.6 | 18.3 | 0 | 0 | 111.8 | C938 L939 E947 | Q923-C938 WeakPolarHBondContact O-CA 3.45Å; Q923-L939 HydrophobicContact CB-CB 3.87Å; Q923-L939 HydrophobicContact CB-CG 4.46Å; Q923-L939 WeakPolarHBondContact CB-O 3.41Å; Q923-L939 PolarHBondContact O-N 3.35Å; Q923-L939 VanDerWaalsContact OE1-CB 3.27Å; Q923-L939 PolarHBondContact OE1-O 3.49Å; Q923-E947 PolarHBondContact NE2-O 3.17Å | ||
| 924 | L | 84.7 | Confident | 81.7 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 128.5 | 177.2 | -177.9 | 61.7 | 0 | 0 | 0 | 110.8 | D922 V936 I976 V987 V989 F1000 L1009 | D922-L924 WeakPolarHBondContact OD2-CB 3.48Å; D922-L924 PolarHBondContact OD2-N 2.74Å; L924-V936 HydrophobicContact CD1-CG1 4Å; L924-I976 HydrophobicContact CD2-CD1 3.71Å; L924-I976 HydrophobicContact CG-CD1 4.08Å; L924-V987 HydrophobicContact CD1-CG1 4.24Å; L924-V987 HydrophobicContact CD2-CB 4.35Å; L924-V987 HydrophobicContact CD2-CG1 3.66Å; L924-V989 HydrophobicContact CD2-CG2 3.68Å; L924-F1000 HydrophobicContact CD1-CE1 4.2Å; L924-F1000 HydrophobicContact CD1-CZ 4.15Å; L924-L1009 HydrophobicContact CB-CD2 3.92Å; L924-L1009 HydrophobicContact CD1-CD2 4.21Å; L924-L1009 HydrophobicContact CD2-CD2 4.46Å; L924-L1009 HydrophobicContact CG-CD2 4.42Å |
| 925 | V | 85.8 | Confident | 81.5 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 130.5 | 175.8 | -176.6 | 0 | 0 | 0 | 0 | 108.8 | L915 V917 F927 V937 L939 I950 L953 | L915-V925 HydrophobicContact CD1-CG1 3.59Å; L915-V925 HydrophobicContact CD2-CG1 4.35Å; L915-V925 HydrophobicContact CG-CG1 3.9Å; V917-V925 HydrophobicContact CG1-CG2 4.38Å; V925-F927 HydrophobicContact CB-CE2 4.49Å; V925-F927 HydrophobicContact CG1-CD2 4.19Å; V925-F927 HydrophobicContact CG1-CE2 3.78Å; V925-F927 HydrophobicContact CG1-CZ 3.98Å; V925-V937 HydrophobicContact CB-CG2 4.22Å; V925-V937 PolarHBondContact N-O 3.46Å; V925-V937 WeakPolarHBondContact O-CG2 3.41Å; V925-V937 PolarHBondContact O-N 3.02Å; V925-L939 HydrophobicContact CG2-CD1 4.27Å; V925-L939 HydrophobicContact CG2-CG 4.32Å; V925-I950 HydrophobicContact CG2-CD1 4.06Å; V925-I950 HydrophobicContact CG2-CG1 4.02Å; V925-L953 HydrophobicContact CG1-CD2 4.11Å; V925-L953 HydrophobicContact CG2-CD2 4.03Å |
| 926 | V | 86.7 | Confident | 81.4 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 116.3 | 172.3 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | L915 S916 D934 V936 I976 C978 | L915-V926 WeakPolarHBondContact CA-O 3.46Å; S916-V926 PolarHBondContact N-O 2.99Å; S916-V926 PolarHBondContact O-N 3.22Å; V926-D934 HydrophobicContact CG1-CB 4.21Å; V926-V936 HydrophobicContact CG1-CG2 4.15Å; V926-V936 HydrophobicContact CG2-CB 4.47Å; V926-V936 HydrophobicContact CG2-CG1 4.23Å; V926-V936 HydrophobicContact CG2-CG2 4.09Å; V926-I976 HydrophobicContact CB-CG2 4.08Å; V926-I976 HydrophobicContact CG2-CB 4.45Å; V926-I976 HydrophobicContact CG2-CD1 4.22Å; V926-I976 HydrophobicContact CG2-CG2 3.7Å; V926-C978 HydrophobicContact CG1-CB 4.27Å |
| 927 | F | 86.4 | Confident | 81.3 | Confident | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.018 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 117 | 170.7 | -61.6 | -92.6 | 0 | 0 | 0 | 109.1 | L885 I887 L892 V912 L915 V925 D934 L935 V937 L953 L957 | L885-F927 HydrophobicContact CD1-CE2 4.47Å; L885-F927 HydrophobicContact CD2-CE2 4.09Å; L885-F927 HydrophobicContact CD2-CZ 3.99Å; I887-F927 HydrophobicContact CD1-CE1 4.09Å; I887-F927 HydrophobicContact CD1-CZ 3.95Å; L892-F927 HydrophobicContact CD1-CD1 3.85Å; L892-F927 HydrophobicContact CD1-CD2 4.3Å; L892-F927 HydrophobicContact CD1-CE1 3.95Å; L892-F927 HydrophobicContact CD1-CE2 4.4Å; L892-F927 HydrophobicContact CD1-CG 4.03Å; L892-F927 HydrophobicContact CD1-CZ 4.23Å; V912-F927 HydrophobicContact CG1-CD1 4.27Å; L915-F927 HydrophobicContact CD1-CD1 3.75Å; L915-F927 HydrophobicContact CD1-CE1 3.48Å; L915-F927 VanDerWaalsContact CD1-CE1 3.48Å; L915-F927 HydrophobicContact CD1-CZ 4.06Å; V925-F927 HydrophobicContact CB-CE2 4.49Å; V925-F927 HydrophobicContact CG1-CD2 4.19Å; V925-F927 HydrophobicContact CG1-CE2 3.78Å; V925-F927 HydrophobicContact CG1-CZ 3.98Å; F927-D934 WeakPolarHBondContact O-CA 3.48Å; F927-D934 WeakPolarHBondContact O-CB 3.28Å; F927-L935 HydrophobicContact CB-CB 4.19Å; F927-L935 HydrophobicContact CD2-CB 4.43Å; F927-L935 HydrophobicContact CD2-CD2 4.17Å; F927-L935 HydrophobicContact CD2-CG 4.41Å; F927-L935 PolarHBondContact N-O 3.26Å; F927-L935 PolarHBondContact O-N 3.02Å; F927-V937 HydrophobicContact CD2-CG2 4.13Å; F927-V937 HydrophobicContact CE2-CG2 3.78Å; F927-L953 HydrophobicContact CZ-CD2 4.2Å; F927-L957 HydrophobicContact CE1-CD1 4.29Å |
| 928 | H | 85.5 | Confident | 81.1 | Confident | 29 Ų | 29 | 37.1 Ų | 37.1 | 13% | 0.134 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 130.2 | 175.1 | -64.6 | -65.3 | 0 | 0 | 0 | 110.4 | V912 T913 G914 S916 D934 Q977 | V912-H928 CarbonylContact C-O 3.53Å; V912-H928 WeakPolarHBondContact CA-O 3.44Å; T913-H928 PolarHBondContact N-O 3.03Å; T913-H928 PolarHBondContact OG1-O 3.5Å; G914-H928 PolarHBondContact O-N 3.44Å; S916-H928 WeakPolarHBondContact CB-NE2 3.29Å; S916-H928 PolarHBondContact OG-CD2 3.23Å; S916-H928 PolarHBondContact OG-NE2 3.12Å; H928-D934 WeakPolarHBondContact CA-OD1 3.45Å; H928-D934 IonicContact CE1-OD2 2.78Å; H928-D934 IonicContact ND1-OD1 3.31Å; H928-D934 IonicContact ND1-OD2 2.84Å; H928-D934 PolarHBondContact ND1-OD2 3.5Å; H928-Q977 PolarHBondContact CE1-O 3.5Å; H928-Q977 VanDerWaalsContact CE1-O 3.29Å |
| 929 | T | 83 | Confident | 81.1 | Confident | 12 Ų | 12 | 37 Ų | 37 | 7% | 0.074 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 148.4 | -178.2 | 58.8 | 0 | 0 | 0 | 0 | 111.3 | I907 N911 D931 S932 R933 D934 | I907-T929 HydrophobicContact CG2-CG2 4.3Å; N911-T929 CarbonylContact O-C 3.51Å; N911-T929 VanDerWaalsContact O-CA 3.24Å; N911-T929 WeakPolarHBondContact O-CA 3.45Å; T929-D931 PolarHBondContact O-N 2.8Å; T929-S932 PolarHBondContact O-N 2.63Å; T929-S932 VanDerWaalsContact O-N 3.14Å; T929-R933 PolarHBondContact OG1-N 3.27Å; T929-R933 PolarHBondContact OG1-O 3.24Å; T929-D934 PolarHBondContact N-OD1 3.08Å |
| 930 | K | 80.8 | Confident | 80.7 | Confident | 129 Ų | 129 | 36.2 Ų | 36.2 | 56% | 0.561 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -35.2 | 175.7 | -69.8 | -175 | -179.1 | 177.6 | 0 | 112.9 | Y910 N911 T913 S932 | Y910-K930 WeakPolarHBondContact O-CE 3.27Å; N911-K930 PolarHBondContact O-N 3.21Å; T913-K930 HydrophobicContact CG2-CD 4.49Å; T913-K930 HydrophobicContact CG2-CG 3.45Å; T913-K930 VanDerWaalsContact CG2-CG 3.45Å; K930-S932 PolarHBondContact O-N 3.42Å; K930-S932 VanDerWaalsContact O-N 3.15Å |
| 931 | D | 78.1 | Confident | 80 | Confident | 105 Ų | 105 | 39.6 Ų | 39.6 | 56% | 0.561 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | 10.1 | -176.6 | -53.4 | -31.1 | 0 | 0 | 0 | 113.8 | T929 R933 | T929-D931 PolarHBondContact O-N 2.8Å; D931-R933 PolarHBondContact O-N 3.24Å; D931-R933 VanDerWaalsContact O-N 3.11Å |
| 932 | S | 74.1 | Confident | 79.3 | Confident | 64 Ų | 64 | 33.1 Ų | 33.1 | 45% | 0.448 | 16% | 0.156 | S | C | . | . | S | Bend | trans | 53.3 | 33.4 | -177.7 | -60.9 | 0 | 0 | 0 | 0 | 113.3 | T929 K930 S979 | T929-S932 PolarHBondContact O-N 2.63Å; T929-S932 VanDerWaalsContact O-N 3.14Å; K930-S932 PolarHBondContact O-N 3.42Å; K930-S932 VanDerWaalsContact O-N 3.15Å; S932-S979 WeakPolarHBondContact O-CB 3.42Å; S932-S979 PolarHBondContact O-OG 3.35Å |
| 933 | R | 78.3 | Confident | 78.3 | Confident | 135 Ų | 135 | 38.4 Ų | 38.4 | 51% | 0.509 | 19% | 0.188 | S | C | . | . | trans | -121.3 | 65.1 | 177.3 | -72.1 | 178.3 | 179.5 | -178.3 | -0 | 109.1 | T929 D931 | T929-R933 PolarHBondContact OG1-N 3.27Å; T929-R933 PolarHBondContact OG1-O 3.24Å; D931-R933 PolarHBondContact O-N 3.24Å; D931-R933 VanDerWaalsContact O-N 3.11Å | ||
| 934 | D | 83 | Confident | 77 | Confident | 12 Ų | 12 | 42 Ų | 42 | 6% | 0.064 | 21% | 0.212 | C | C | . | . | trans | -63.1 | 147.3 | -171.9 | -63.9 | -16.8 | 0 | 0 | 0 | 111.8 | V926 F927 H928 T929 S979 | V926-D934 HydrophobicContact CG1-CB 4.21Å; F927-D934 WeakPolarHBondContact O-CA 3.48Å; F927-D934 WeakPolarHBondContact O-CB 3.28Å; H928-D934 WeakPolarHBondContact CA-OD1 3.45Å; H928-D934 IonicContact CE1-OD2 2.78Å; H928-D934 IonicContact ND1-OD1 3.31Å; H928-D934 IonicContact ND1-OD2 2.84Å; H928-D934 PolarHBondContact ND1-OD2 3.5Å; T929-D934 PolarHBondContact N-OD1 3.08Å; D934-S979 WeakPolarHBondContact CB-O 3.25Å; D934-S979 PolarHBondContact N-O 3.12Å; D934-S979 PolarHBondContact OD2-N 3.48Å | ||
| 935 | L | 82.4 | Confident | 75.5 | Confident | 7 Ų | 7 | 45.3 Ų | 45.3 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 99.5 | 178.6 | -179.5 | 67.8 | 0 | 0 | 0 | 108.8 | K873 L885 L892 F927 V937 | K873-L935 HydrophobicContact CD-CD1 3.65Å; L885-L935 HydrophobicContact CD1-CD2 3.79Å; L892-L935 HydrophobicContact CD1-CD2 4.32Å; L892-L935 HydrophobicContact CD2-CD2 3.62Å; F927-L935 HydrophobicContact CB-CB 4.19Å; F927-L935 HydrophobicContact CD2-CB 4.43Å; F927-L935 HydrophobicContact CD2-CD2 4.17Å; F927-L935 HydrophobicContact CD2-CG 4.41Å; F927-L935 PolarHBondContact N-O 3.26Å; F927-L935 PolarHBondContact O-N 3.02Å; L935-V937 HydrophobicContact CD1-CG1 4.07Å; L935-V937 HydrophobicContact CD2-CG1 4.38Å; L935-V937 HydrophobicContact CG-CG1 3.9Å |
| 936 | V | 85.1 | Confident | 74.1 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 119.2 | 172.4 | -177 | 0 | 0 | 0 | 0 | 109 | L924 V926 C978 M980 V987 F1000 | L924-V936 HydrophobicContact CD1-CG1 4Å; V926-V936 HydrophobicContact CG1-CG2 4.15Å; V926-V936 HydrophobicContact CG2-CB 4.47Å; V926-V936 HydrophobicContact CG2-CG1 4.23Å; V926-V936 HydrophobicContact CG2-CG2 4.09Å; V936-C978 HydrophobicContact CG2-CB 4.08Å; V936-M980 HydrophobicContact CG2-SD 4.23Å; V936-V987 HydrophobicContact CG1-CG2 4.01Å; V936-V987 HydrophobicContact CG2-CG2 4.27Å; V936-F1000 HydrophobicContact CG1-CE1 3.98Å; V936-F1000 HydrophobicContact CG1-CZ 4.13Å |
| 937 | V | 84.5 | Confident | 73.2 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 141.4 | 179.3 | -70.7 | 0 | 0 | 0 | 0 | 111.1 | V871 K873 V925 F927 L935 | V871-V937 HydrophobicContact CB-CB 4.11Å; V871-V937 HydrophobicContact CB-CG1 4.25Å; V871-V937 HydrophobicContact CG1-CB 4.41Å; V871-V937 HydrophobicContact CG2-CB 4.36Å; V871-V937 HydrophobicContact CG2-CG1 3.94Å; K873-V937 HydrophobicContact CB-CG1 4.31Å; V925-V937 HydrophobicContact CB-CG2 4.22Å; V925-V937 PolarHBondContact N-O 3.46Å; V925-V937 WeakPolarHBondContact O-CG2 3.41Å; V925-V937 PolarHBondContact O-N 3.02Å; F927-V937 HydrophobicContact CD2-CG2 4.13Å; F927-V937 HydrophobicContact CE2-CG2 3.78Å; L935-V937 HydrophobicContact CD1-CG1 4.07Å; L935-V937 HydrophobicContact CD2-CG1 4.38Å; L935-V937 HydrophobicContact CG-CG1 3.9Å |
| 938 | C | 83.8 | Confident | 72.5 | Confident | 3 Ų | 3 | 56.4 Ų | 56.4 | 2% | 0.02 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 121.7 | 162.4 | -175.7 | 0 | 0 | 0 | 0 | 107.6 | V871 R872 Q923 Q940 F1000 L1009 | V871-C938 CarbonylContact C-O 3.6Å; V871-C938 WeakPolarHBondContact CA-O 3.37Å; R872-C938 PolarHBondContact N-O 2.91Å; R872-C938 PolarHBondContact O-N 3.39Å; Q923-C938 WeakPolarHBondContact O-CA 3.45Å; C938-Q940 PolarHBondContact O-N 3.31Å; C938-F1000 HydrophobicContact CB-CE2 4.04Å; C938-F1000 HydrophobicContact CB-CZ 4.01Å; C938-L1009 HydrophobicContact CB-CD1 4.12Å; C938-L1009 HydrophobicContact CB-CD2 4.25Å |
| 939 | L | 81.3 | Confident | 72.1 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 130.6 | 172.5 | -48.9 | 174.3 | 0 | 0 | 0 | 107.9 | F867 C869 V871 Q923 V925 R941 R949 I950 L953 | F867-L939 HydrophobicContact CE1-CD1 4.49Å; F867-L939 HydrophobicContact CE1-CD2 4.28Å; F867-L939 HydrophobicContact CZ-CD1 4.25Å; C869-L939 HydrophobicContact CB-CD2 4.49Å; V871-L939 HydrophobicContact CG1-CD2 3.64Å; Q923-L939 HydrophobicContact CB-CB 3.87Å; Q923-L939 HydrophobicContact CB-CG 4.46Å; Q923-L939 WeakPolarHBondContact CB-O 3.41Å; Q923-L939 PolarHBondContact O-N 3.35Å; Q923-L939 VanDerWaalsContact OE1-CB 3.27Å; Q923-L939 PolarHBondContact OE1-O 3.49Å; V925-L939 HydrophobicContact CG2-CD1 4.27Å; V925-L939 HydrophobicContact CG2-CG 4.32Å; L939-R941 PolarHBondContact O-N 2.99Å; L939-R949 HydrophobicContact CD1-CB 4.19Å; L939-I950 HydrophobicContact CD1-CG1 4.44Å; L939-L953 HydrophobicContact CD1-CD2 4.3Å |
| 940 | Q | 70.9 | Confident | 72 | Confident | 46 Ų | 46 | 55.3 Ų | 55.3 | 22% | 0.215 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 131.1 | -178.8 | -76.6 | -178.2 | -18.3 | 0 | 0 | 110 | N870 D882 C938 M942 | N870-Q940 PolarHBondContact O-N 2.77Å; D882-Q940 VanDerWaalsContact CG-NE2 3.28Å; D882-Q940 PolarHBondContact OD1-NE2 3.38Å; C938-Q940 PolarHBondContact O-N 3.31Å; Q940-M942 PolarHBondContact O-N 2.95Å |
| 941 | R | 61.2 | Low | 71.9 | Confident | 101 Ų | 101 | 49.1 Ų | 49.1 | 38% | 0.381 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -66 | 121.9 | 170.6 | -72.5 | -175 | 178.4 | 171.2 | 0.3 | 108.4 | K921 L939 | K921-R941 PolarHBondContact O-NH2 3.32Å; L939-R941 PolarHBondContact O-N 2.99Å |
| 942 | M | 55.8 | Low | 72.1 | Confident | 29 Ų | 29 | 44.2 Ų | 44.2 | 14% | 0.143 | 24% | 0.237 | C | C | . | . | trans | -109.2 | 145.8 | 167.2 | -69.8 | -176.7 | 160.3 | 0 | 0 | 109.2 | F836 N870 Q940 P944 | F836-M942 HydrophobicContact CB-CE 4.34Å; F836-M942 HydrophobicContact CB-SD 4.07Å; F836-M942 HydrophobicContact CD1-CE 3.62Å; F836-M942 HydrophobicContact CD1-SD 4.36Å; F836-M942 HydrophobicContact CD2-CE 3.37Å; F836-M942 HydrophobicContact CD2-CG 4.37Å; F836-M942 HydrophobicContact CD2-SD 3.13Å; F836-M942 WeakPolarHBondContact CD2-SD 3.34Å; F836-M942 HydrophobicContact CE1-CE 3.58Å; F836-M942 HydrophobicContact CE2-CE 3.31Å; F836-M942 HydrophobicContact CE2-CG 4.26Å; F836-M942 HydrophobicContact CE2-SD 3.49Å; F836-M942 WeakPolarHBondContact CE2-SD 3.43Å; F836-M942 HydrophobicContact CG-CE 3.5Å; F836-M942 HydrophobicContact CG-SD 3.61Å; F836-M942 HydrophobicContact CZ-CE 3.41Å; F836-M942 VanDerWaalsContact CZ-CE 3.41Å; F836-M942 HydrophobicContact CZ-SD 4.23Å; N870-M942 HydrophobicContact CB-CE 4.41Å; Q940-M942 PolarHBondContact O-N 2.95Å; M942-P944 VanDerWaalsContact O-O 3.1Å | ||
| 943 | V | 52.3 | Low | 72.5 | Confident | 121 Ų | 121 | 41.2 Ų | 41.2 | 73% | 0.733 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -57.8 | 132.8 | -179.3 | -179.3 | 0 | 0 | 0 | 0 | 109.6 | ||
| 944 | P | 53.6 | Low | 72.8 | Confident | 83 Ų | 83 | 34.8 Ų | 34.8 | 54% | 0.539 | 19% | 0.192 | S | C | . | . | S | Bend | cis | -76.8 | 147.8 | 7.6 | -14.2 | 30.5 | 0 | 0 | 0 | 115.7 | M942 N946 | M942-P944 VanDerWaalsContact O-O 3.1Å; P944-N946 PolarHBondContact O-N 3.2Å |
| 945 | A | 52.6 | Low | 72.9 | Confident | 70 Ų | 70 | 34.2 Ų | 34.2 | 58% | 0.579 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | 6.6 | -163.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 946 | N | 57.1 | Low | 72.9 | Confident | 145 Ų | 145 | 35.4 Ų | 35.4 | 78% | 0.775 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -124.7 | 15.6 | -169 | -85.4 | -17.5 | 0 | 0 | 0 | 115.9 | P944 | P944-N946 PolarHBondContact O-N 3.2Š|
| 947 | E | 67.3 | Low | 72.8 | Confident | 83 Ų | 83 | 35.6 Ų | 35.6 | 39% | 0.388 | 20% | 0.197 | S | C | . | . | trans | -98.9 | 128.1 | -173.9 | -63.4 | -173.6 | -174.8 | 0 | 0 | 114.5 | R826 Q923 | R826-E947 IonicContact NH1-OE2 3.78Å; Q923-E947 PolarHBondContact NE2-O 3.17Å | ||
| 948 | S | 71.9 | Confident | 72.8 | Confident | 8 Ų | 8 | 36.5 Ų | 36.5 | 6% | 0.056 | 20% | 0.202 | C | C | . | . | trans | -91.4 | 110.3 | 174.3 | -177.4 | 0 | 0 | 0 | 0 | 111.4 | R819 D821 | R819-S948 PolarHBondContact NH2-OG 2.96Å; D821-S948 PolarHBondContact O-OG 3.35Å; D821-S948 WeakPolarHBondContact OD2-CB 3.23Å | ||
| 949 | R | 77.6 | Confident | 72.8 | Confident | 18 Ų | 18 | 37.8 Ų | 37.8 | 7% | 0.068 | 21% | 0.211 | C | C | . | . | trans | -88.2 | -6.6 | 177.9 | -64.5 | 179.2 | -179.5 | 178.3 | -4.7 | 114.2 | F867 C869 L939 E952 L953 | F867-R949 HydrophobicContact CZ-CB 4.49Å; C869-R949 PolarHBondContact SG-NH1 2.91Å; L939-R949 HydrophobicContact CD1-CB 4.19Å; R949-E952 PolarHBondContact O-N 3.43Å; R949-L953 PolarHBondContact O-N 3.48Å; R949-L953 VanDerWaalsContact O-N 3.12Å | ||
| 950 | I | 80.8 | Confident | 72.8 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.2 | -40.8 | -177.6 | -72.9 | -176.6 | 0 | 0 | 0 | 111.4 | R819 V917 D922 V925 L939 E952 L953 V954 | R819-I950 VanDerWaalsContact NH1-CD1 3.3Å; V917-I950 HydrophobicContact CB-CG2 4.17Å; V917-I950 HydrophobicContact CG1-CG2 3.81Å; D922-I950 WeakPolarHBondContact O-CD1 3.39Å; V925-I950 HydrophobicContact CG2-CD1 4.06Å; V925-I950 HydrophobicContact CG2-CG1 4.02Å; L939-I950 HydrophobicContact CD1-CG1 4.44Å; I950-E952 VanDerWaalsContact C-N 3.28Å; I950-E952 PolarHBondContact O-N 3.49Å; I950-L953 PolarHBondContact O-N 3.19Å; I950-V954 HydrophobicContact CG2-CG2 3.89Å; I950-V954 WeakPolarHBondContact O-CB 3.49Å; I950-V954 WeakPolarHBondContact O-CG2 3.48Å; I950-V954 PolarHBondContact O-N 3.26Å |
| 951 | G | 79.1 | Confident | 73.3 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.7 | -40.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S811 W828 G955 | S811-G951 PolarHBondContact OG-O 3.38Å; W828-G951 WeakPolarHBondContact CH2-O 3.22Å; G951-G955 WeakPolarHBondContact O-CA 3.44Å; G951-G955 PolarHBondContact O-N 3.24Å |
| 952 | E | 82.6 | Confident | 74.2 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -72.1 | -44.4 | 176.8 | -179 | 172.5 | 141.7 | 0 | 0 | 113 | R826 W828 E829 G830 Y832 R949 I950 V954 G955 T956 | R826-E952 IonicContact CZ-OE2 3.96Å; R826-E952 IonicContact NE-OE2 3.12Å; R826-E952 IonicContact NH2-OE2 3.57Å; R826-E952 PolarHBondContact NH2-OE2 3.04Å; W828-E952 VanDerWaalsContact CA-OE2 3.26Å; W828-E952 WeakPolarHBondContact CA-OE2 3.14Å; W828-E952 VanDerWaalsContact CB-CD 3.44Å; W828-E952 HydrophobicContact CB-CG 3.8Å; W828-E952 WeakPolarHBondContact CB-OE2 3.33Å; W828-E952 HydrophobicContact CD2-CB 3.88Å; W828-E952 HydrophobicContact CD2-CG 3.8Å; W828-E952 HydrophobicContact CE3-CB 4.21Å; W828-E952 HydrophobicContact CE3-CG 3.97Å; W828-E952 HydrophobicContact CG-CB 4.08Å; W828-E952 HydrophobicContact CG-CG 3.74Å; E829-E952 PolarHBondContact N-OE1 3.43Å; G830-E952 WeakPolarHBondContact CA-OE1 3.35Å; G830-E952 PolarHBondContact N-OE1 2.96Å; Y832-E952 VanDerWaalsContact CE2-OE1 3.24Å; Y832-E952 WeakPolarHBondContact CE2-OE1 3.47Å; Y832-E952 PolarHBondContact OH-OE1 3.28Å; Y832-E952 PolarHBondContact OH-OE2 2.67Å; R949-E952 PolarHBondContact O-N 3.43Å; I950-E952 VanDerWaalsContact C-N 3.28Å; I950-E952 PolarHBondContact O-N 3.49Å; E952-V954 PolarHBondContact O-N 3.37Å; E952-G955 PolarHBondContact O-N 3.49Å; E952-T956 VanDerWaalsContact O-CB 3.22Å; E952-T956 WeakPolarHBondContact O-CB 3.38Å; E952-T956 PolarHBondContact O-N 3.26Å; E952-T956 PolarHBondContact O-OG1 3.43Å |
| 953 | L | 82.3 | Confident | 75.3 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59 | -48.4 | 176.4 | 175.9 | 65.1 | 0 | 0 | 0 | 111 | F867 I887 V925 F927 L939 R949 I950 L957 | F867-L953 HydrophobicContact CB-CD1 3.95Å; F867-L953 HydrophobicContact CD1-CD1 3.67Å; F867-L953 HydrophobicContact CD2-CB 4.39Å; F867-L953 HydrophobicContact CD2-CD1 4.18Å; F867-L953 HydrophobicContact CE1-CD1 4.14Å; F867-L953 HydrophobicContact CE2-CB 4.22Å; F867-L953 HydrophobicContact CG-CD1 3.68Å; F867-L953 HydrophobicContact CZ-CB 4.38Å; I887-L953 HydrophobicContact CD1-CD1 3.68Å; V925-L953 HydrophobicContact CG1-CD2 4.11Å; V925-L953 HydrophobicContact CG2-CD2 4.03Å; F927-L953 HydrophobicContact CZ-CD2 4.2Å; L939-L953 HydrophobicContact CD1-CD2 4.3Å; R949-L953 PolarHBondContact O-N 3.48Å; R949-L953 VanDerWaalsContact O-N 3.12Å; I950-L953 PolarHBondContact O-N 3.19Å; L953-L957 HydrophobicContact CD1-CD1 3.79Å; L953-L957 HydrophobicContact CD1-CG 4.3Å; L953-L957 HydrophobicContact CG-CD1 4.13Å; L953-L957 VanDerWaalsContact O-CB 3.3Å; L953-L957 WeakPolarHBondContact O-CB 3.41Å; L953-L957 VanDerWaalsContact O-CG 3.25Å; L953-L957 WeakPolarHBondContact O-CG 3.27Å; L953-L957 PolarHBondContact O-N 2.87Å |
| 954 | V | 84.9 | Confident | 76.4 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.9 | -47.2 | 178.6 | 174.6 | 0 | 0 | 0 | 0 | 110.6 | L815 L915 V917 I950 E952 L958 V970 | L815-V954 HydrophobicContact CD1-CB 4.18Å; L815-V954 HydrophobicContact CD1-CG1 4.11Å; L815-V954 HydrophobicContact CD1-CG2 4.39Å; L815-V954 HydrophobicContact CD2-CG1 4.38Å; L815-V954 HydrophobicContact CG-CG1 4.3Å; L915-V954 HydrophobicContact CD2-CG2 3.53Å; V917-V954 HydrophobicContact CG1-CG2 4.26Å; I950-V954 HydrophobicContact CG2-CG2 3.89Å; I950-V954 WeakPolarHBondContact O-CB 3.49Å; I950-V954 WeakPolarHBondContact O-CG2 3.48Å; I950-V954 PolarHBondContact O-N 3.26Å; E952-V954 PolarHBondContact O-N 3.37Å; V954-L958 HydrophobicContact CG1-CD1 3.64Å; V954-L958 HydrophobicContact CG1-CG 4.2Å; V954-L958 VanDerWaalsContact O-CB 3.25Å; V954-L958 WeakPolarHBondContact O-CB 3.18Å; V954-L958 VanDerWaalsContact O-CG 3.26Å; V954-L958 WeakPolarHBondContact O-CG 3.42Å; V954-L958 PolarHBondContact O-N 3.44Å; V954-V970 HydrophobicContact CG1-CG1 4.16Å; V954-V970 HydrophobicContact CG1-CG2 4.25Å |
| 955 | G | 83.8 | Confident | 77.4 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64 | -44.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | G951 E952 S959 | G951-G955 WeakPolarHBondContact O-CA 3.44Å; G951-G955 PolarHBondContact O-N 3.24Å; E952-G955 PolarHBondContact O-N 3.49Å; G955-S959 WeakPolarHBondContact O-CB 3.34Å; G955-S959 PolarHBondContact O-N 2.74Å |
| 956 | T | 83.3 | Confident | 78.5 | Confident | 32 Ų | 32 | 46.5 Ų | 46.5 | 20% | 0.196 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.8 | -41.7 | 178.7 | -58.5 | 0 | 0 | 0 | 0 | 111.3 | L866 E952 H960 | L866-T956 HydrophobicContact CB-CG2 4.32Å; L866-T956 HydrophobicContact CD2-CG2 4.43Å; E952-T956 VanDerWaalsContact O-CB 3.22Å; E952-T956 WeakPolarHBondContact O-CB 3.38Å; E952-T956 PolarHBondContact O-N 3.26Å; E952-T956 PolarHBondContact O-OG1 3.43Å; T956-H960 WeakPolarHBondContact O-CB 3.29Å; T956-H960 PolarHBondContact O-N 3Å |
| 957 | L | 83.2 | Confident | 79.3 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.4 | -48.3 | 173.7 | -73.5 | 174.7 | 0 | 0 | 0 | 111.7 | L866 I887 L915 F927 L953 S959 H960 F961 L968 | L866-L957 HydrophobicContact CD1-CD2 4.41Å; I887-L957 HydrophobicContact CG2-CD2 4.16Å; L915-L957 HydrophobicContact CD1-CD1 4.08Å; F927-L957 HydrophobicContact CE1-CD1 4.29Å; L953-L957 HydrophobicContact CD1-CD1 3.79Å; L953-L957 HydrophobicContact CD1-CG 4.3Å; L953-L957 HydrophobicContact CG-CD1 4.13Å; L953-L957 VanDerWaalsContact O-CB 3.3Å; L953-L957 WeakPolarHBondContact O-CB 3.41Å; L953-L957 VanDerWaalsContact O-CG 3.25Å; L953-L957 WeakPolarHBondContact O-CG 3.27Å; L953-L957 PolarHBondContact O-N 2.87Å; L957-S959 VanDerWaalsContact C-N 3.31Å; L957-S959 PolarHBondContact O-N 3.44Å; L957-H960 WeakPolarHBondContact O-CB 3.32Å; L957-H960 PolarHBondContact O-N 3.37Å; L957-H960 VanDerWaalsContact O-N 3.15Å; L957-F961 HydrophobicContact CD2-CE2 4.45Å; L957-F961 WeakPolarHBondContact O-CB 3.42Å; L957-F961 VanDerWaalsContact O-CD2 3.27Å; L957-F961 WeakPolarHBondContact O-CD2 3.35Å; L957-F961 PolarHBondContact O-N 2.95Å; L957-L968 HydrophobicContact CB-CD2 4.06Å |
| 958 | L | 84.2 | Confident | 80 | Confident | 20 Ų | 20 | 46.2 Ų | 46.2 | 11% | 0.105 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.6 | -39.6 | 178.1 | -77.2 | 175.8 | 0 | 0 | 0 | 112.3 | A810 A814 V954 K962 L968 V970 | A810-L958 HydrophobicContact CB-CB 4.36Å; A814-L958 HydrophobicContact CB-CD1 3.39Å; V954-L958 HydrophobicContact CG1-CD1 3.64Å; V954-L958 HydrophobicContact CG1-CG 4.2Å; V954-L958 VanDerWaalsContact O-CB 3.25Å; V954-L958 WeakPolarHBondContact O-CB 3.18Å; V954-L958 VanDerWaalsContact O-CG 3.26Å; V954-L958 WeakPolarHBondContact O-CG 3.42Å; V954-L958 PolarHBondContact O-N 3.44Å; L958-K962 VanDerWaalsContact O-CB 3.25Å; L958-K962 WeakPolarHBondContact O-CB 3.48Å; L958-K962 VanDerWaalsContact O-CG 3.28Å; L958-K962 WeakPolarHBondContact O-CG 3.18Å; L958-K962 PolarHBondContact O-N 2.82Å; L958-L968 HydrophobicContact CD2-CB 4.3Å; L958-V970 HydrophobicContact CD1-CG2 4.16Å; L958-V970 HydrophobicContact CD2-CG2 3.85Å; L958-V970 HydrophobicContact CG-CG2 4.13Å |
| 959 | S | 83.3 | Confident | 80.5 | Confident | 30 Ų | 30 | 52.1 Ų | 52.1 | 21% | 0.21 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.5 | -42.5 | 174.9 | -174.2 | 0 | 0 | 0 | 0 | 111.3 | G955 L957 S963 | G955-S959 WeakPolarHBondContact O-CB 3.34Å; G955-S959 PolarHBondContact O-N 2.74Å; L957-S959 VanDerWaalsContact C-N 3.31Å; L957-S959 PolarHBondContact O-N 3.44Å; S959-S963 PolarHBondContact O-N 3.32Å |
| 960 | H | 82.1 | Confident | 80.8 | Confident | 12 Ų | 12 | 53 Ų | 53 | 6% | 0.056 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.3 | -52 | 174.9 | -170.8 | -93.9 | 0 | 0 | 0 | 112.3 | L866 D889 T956 L957 K962 S963 E964 | L866-H960 HydrophobicContact CD1-CB 4.18Å; D889-H960 PolarHBondContact O-CE1 2.89Å; T956-H960 WeakPolarHBondContact O-CB 3.29Å; T956-H960 PolarHBondContact O-N 3Å; L957-H960 WeakPolarHBondContact O-CB 3.32Å; L957-H960 PolarHBondContact O-N 3.37Å; L957-H960 VanDerWaalsContact O-N 3.15Å; H960-K962 VanDerWaalsContact C-N 3.34Å; H960-K962 PolarHBondContact O-N 3.04Å; H960-S963 WeakPolarHBondContact O-CA 3.38Å; H960-S963 WeakPolarHBondContact O-CB 3.45Å; H960-S963 PolarHBondContact O-N 3.15Å; H960-S963 PolarHBondContact O-OG 3.01Å; H960-E964 VanDerWaalsContact CE1-CD 3.46Å; H960-E964 IonicContact CE1-OE1 3.9Å; H960-E964 PolarHBondContact CE1-OE1 2.9Å; H960-E964 IonicContact CE1-OE2 3.73Å; H960-E964 IonicContact ND1-OE1 2.86Å; H960-E964 IonicContact NE2-OE1 3.54Å; H960-E964 PolarHBondContact O-N 3.35Å |
| 961 | F | 81.5 | Confident | 80.9 | Confident | 12 Ų | 12 | 56.5 Ų | 56.5 | 5% | 0.053 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.3 | -39.2 | 179 | -87.7 | -95.6 | 0 | 0 | 0 | 112.1 | L957 S963 E964 K965 R966 L968 | L957-F961 HydrophobicContact CD2-CE2 4.45Å; L957-F961 WeakPolarHBondContact O-CB 3.42Å; L957-F961 VanDerWaalsContact O-CD2 3.27Å; L957-F961 WeakPolarHBondContact O-CD2 3.35Å; L957-F961 PolarHBondContact O-N 2.95Å; F961-S963 VanDerWaalsContact C-N 3.31Å; F961-S963 PolarHBondContact O-N 3.3Å; F961-E964 CarbonylContact O-C 3.59Å; F961-E964 PolarHBondContact O-N 3.42Å; F961-K965 PolarHBondContact O-N 2.98Å; F961-K965 VanDerWaalsContact O-N 3.1Å; F961-R966 CarbonylContact C-O 3.52Å; F961-R966 VanDerWaalsContact C-O 3.29Å; F961-R966 WeakPolarHBondContact CB-O 3.5Å; F961-R966 HydrophobicContact CD1-CB 3.66Å; F961-R966 HydrophobicContact CE1-CB 4.32Å; F961-R966 PolarHBondContact O-N 3.41Å; F961-L968 HydrophobicContact CB-CB 4.19Å; F961-L968 HydrophobicContact CD1-CB 3.93Å; F961-L968 HydrophobicContact CD2-CB 4.14Å; F961-L968 HydrophobicContact CD2-CD2 4.06Å; F961-L968 HydrophobicContact CE1-CB 4.33Å; F961-L968 HydrophobicContact CE1-CD1 4.29Å; F961-L968 HydrophobicContact CE2-CD1 4.25Å; F961-L968 HydrophobicContact CE2-CD2 4.14Å; F961-L968 HydrophobicContact CG-CB 3.83Å; F961-L968 HydrophobicContact CZ-CD1 4.05Å |
| 962 | K | 79.2 | Confident | 81.1 | Confident | 112 Ų | 112 | 58.5 Ų | 58.5 | 49% | 0.487 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.7 | -39 | 171.4 | -80.5 | -178.7 | 177.4 | -176.8 | 0 | 111.7 | E813 L958 H960 E964 K965 | E813-K962 IonicContact OE2-NZ 3.9Å; E813-K962 PolarHBondContact OE2-NZ 2.92Å; L958-K962 VanDerWaalsContact O-CB 3.25Å; L958-K962 WeakPolarHBondContact O-CB 3.48Å; L958-K962 VanDerWaalsContact O-CG 3.28Å; L958-K962 WeakPolarHBondContact O-CG 3.18Å; L958-K962 PolarHBondContact O-N 2.82Å; H960-K962 VanDerWaalsContact C-N 3.34Å; H960-K962 PolarHBondContact O-N 3.04Å; K962-E964 VanDerWaalsContact C-N 3.34Å; K962-K965 PolarHBondContact O-N 3.28Å |
| 963 | S | 78.4 | Confident | 81 | Confident | 82 Ų | 82 | 61.5 Ų | 61.5 | 57% | 0.573 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -67.3 | -33.3 | 176.4 | 75.8 | 0 | 0 | 0 | 0 | 112.9 | S959 H960 F961 K965 | S959-S963 PolarHBondContact O-N 3.32Å; H960-S963 WeakPolarHBondContact O-CA 3.38Å; H960-S963 WeakPolarHBondContact O-CB 3.45Å; H960-S963 PolarHBondContact O-N 3.15Å; H960-S963 PolarHBondContact O-OG 3.01Å; F961-S963 VanDerWaalsContact C-N 3.31Å; F961-S963 PolarHBondContact O-N 3.3Å; S963-K965 VanDerWaalsContact C-N 3.29Å; S963-K965 PolarHBondContact O-N 3.06Å |
| 964 | E | 75.4 | Confident | 80.8 | Confident | 83 Ų | 83 | 64.6 Ų | 64.6 | 39% | 0.388 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 4.1 | 174.3 | -64.5 | -169.3 | 156.6 | 0 | 0 | 114 | H960 F961 K962 R966 | H960-E964 VanDerWaalsContact CE1-CD 3.46Å; H960-E964 IonicContact CE1-OE1 3.9Å; H960-E964 PolarHBondContact CE1-OE1 2.9Å; H960-E964 IonicContact CE1-OE2 3.73Å; H960-E964 IonicContact ND1-OE1 2.86Å; H960-E964 IonicContact NE2-OE1 3.54Å; H960-E964 PolarHBondContact O-N 3.35Å; F961-E964 CarbonylContact O-C 3.59Å; F961-E964 PolarHBondContact O-N 3.42Å; K962-E964 VanDerWaalsContact C-N 3.34Å; E964-R966 HydrophobicContact CB-CG 4.46Å; E964-R966 PolarHBondContact O-N 3.12Å |
| 965 | K | 75.3 | Confident | 80.5 | Confident | 199 Ų | 199 | 67.9 Ų | 67.9 | 87% | 0.865 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 25.2 | -173.1 | -57.9 | -179.6 | 179.8 | 176.7 | 0 | 114.2 | F961 K962 S963 | F961-K965 PolarHBondContact O-N 2.98Å; F961-K965 VanDerWaalsContact O-N 3.1Å; K962-K965 PolarHBondContact O-N 3.28Å; S963-K965 VanDerWaalsContact C-N 3.29Å; S963-K965 PolarHBondContact O-N 3.06Å |
| 966 | R | 75.6 | Confident | 80.5 | Confident | 132 Ų | 132 | 68 Ų | 68 | 50% | 0.498 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -100.9 | 143.5 | 175 | -71 | 178.6 | 173.2 | 178.2 | -1.4 | 110 | F961 E964 | F961-R966 CarbonylContact C-O 3.52Å; F961-R966 VanDerWaalsContact C-O 3.29Å; F961-R966 WeakPolarHBondContact CB-O 3.5Å; F961-R966 HydrophobicContact CD1-CB 3.66Å; F961-R966 HydrophobicContact CE1-CB 4.32Å; F961-R966 PolarHBondContact O-N 3.41Å; E964-R966 HydrophobicContact CB-CG 4.46Å; E964-R966 PolarHBondContact O-N 3.12Å |
| 967 | K | 74.4 | Confident | 80.4 | Confident | 206 Ų | 206 | 73.7 Ų | 73.7 | 90% | 0.896 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -95.7 | 118.7 | 175.6 | -69.9 | -176.6 | 179.5 | 178.8 | 0 | 109.5 | ||
| 968 | L | 80.9 | Confident | 80.4 | Confident | 17 Ų | 17 | 73.7 Ų | 73.7 | 9% | 0.089 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -95.3 | 121.8 | 167.5 | -177 | 70.5 | 0 | 0 | 0 | 108.1 | V912 L957 L958 F961 | V912-L968 HydrophobicContact CG1-CD1 4.29Å; L957-L968 HydrophobicContact CB-CD2 4.06Å; L958-L968 HydrophobicContact CD2-CB 4.3Å; F961-L968 HydrophobicContact CB-CB 4.19Å; F961-L968 HydrophobicContact CD1-CB 3.93Å; F961-L968 HydrophobicContact CD2-CB 4.14Å; F961-L968 HydrophobicContact CD2-CD2 4.06Å; F961-L968 HydrophobicContact CE1-CB 4.33Å; F961-L968 HydrophobicContact CE1-CD1 4.29Å; F961-L968 HydrophobicContact CE2-CD1 4.25Å; F961-L968 HydrophobicContact CE2-CD2 4.14Å; F961-L968 HydrophobicContact CG-CB 3.83Å; F961-L968 HydrophobicContact CZ-CD1 4.05Å |
| 969 | Q | 82.6 | Confident | 80.2 | Confident | 132 Ų | 132 | 73.5 Ų | 73.5 | 62% | 0.617 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 125.4 | 174.6 | -69.9 | -175.3 | -5.9 | 0 | 0 | 109.7 | G914 L915 | G914-Q969 CarbonylContact C-O 3.59Å; G914-Q969 WeakPolarHBondContact CA-O 3.38Å; L915-Q969 PolarHBondContact N-O 3.3Å |
| 970 | V | 84.4 | Confident | 79.8 | Confident | 35 Ų | 35 | 73.2 Ų | 73.2 | 21% | 0.212 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 113.2 | 175.4 | 179.6 | 0 | 0 | 0 | 0 | 108.3 | L815 L915 V954 L958 | L815-V970 HydrophobicContact CD2-CG1 4.43Å; L915-V970 VanDerWaalsContact O-CA 3.3Å; L915-V970 WeakPolarHBondContact O-CA 3.47Å; V954-V970 HydrophobicContact CG1-CG1 4.16Å; V954-V970 HydrophobicContact CG1-CG2 4.25Å; L958-V970 HydrophobicContact CD1-CG2 4.16Å; L958-V970 HydrophobicContact CD2-CG2 3.85Å; L958-V970 HydrophobicContact CG-CG2 4.13Å |
| 971 | N | 83.3 | Confident | 79.1 | Confident | 75 Ų | 75 | 77 Ų | 77 | 40% | 0.401 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 133.5 | -179.8 | -66.5 | -25 | 0 | 0 | 0 | 109.8 | L915 S916 V917 | L915-N971 PolarHBondContact O-N 3.33Å; S916-N971 VanDerWaalsContact CA-O 3.3Å; S916-N971 WeakPolarHBondContact CA-O 3.12Å; V917-N971 PolarHBondContact N-O 2.67Å |
| 972 | I | 82.5 | Confident | 78.4 | Confident | 42 Ų | 42 | 79.1 Ų | 79.1 | 22% | 0.215 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 100.1 | 177.9 | -51.1 | 169.1 | 0 | 0 | 0 | 107.8 | L815 H818 V917 P919 | L815-I972 HydrophobicContact CD2-CD1 3.59Å; L815-I972 HydrophobicContact CD2-CG1 4.15Å; H818-I972 HydrophobicContact CB-CD1 3.43Å; H818-I972 VanDerWaalsContact CB-CD1 3.43Å; H818-I972 HydrophobicContact CB-CG2 4.45Å; V917-I972 HydrophobicContact CG2-CG1 3.97Å; V917-I972 VanDerWaalsContact O-CA 3.29Å; V917-I972 WeakPolarHBondContact O-CA 3.19Å; P919-I972 HydrophobicContact CB-CG2 4.05Å |
| 973 | T | 80.6 | Confident | 78.2 | Confident | 63 Ų | 63 | 83.6 Ų | 83.6 | 39% | 0.387 | 42% | 0.424 | S | S | . | . | trans | -144.3 | 153.9 | -174.5 | 56 | 0 | 0 | 0 | 0 | 112.3 | V917 I976 | V917-T973 PolarHBondContact O-N 3.23Å; V917-T973 VanDerWaalsContact O-N 3.15Å; T973-I976 WeakPolarHBondContact O-CG1 3.37Å | ||
| 974 | S | 77 | Confident | 78.3 | Confident | 66 Ų | 66 | 89.3 Ų | 89.3 | 46% | 0.462 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -148.6 | 119.1 | 167.6 | -176.7 | 0 | 0 | 0 | 0 | 107.3 | ||
| 975 | P | 79.1 | Confident | 78.6 | Confident | 70 Ų | 70 | 86 Ų | 86 | 46% | 0.455 | 42% | 0.424 | S | S | . | . | S | Bend | cis | -71.8 | 146.3 | 2.7 | 30 | -35.7 | 0 | 0 | 0 | 113.8 | V988 | P975-V988 HydrophobicContact CB-CG2 3.83Š|
| 976 | I | 83.4 | Confident | 79 | Confident | 2 Ų | 2 | 78.2 Ų | 78.2 | 1% | 0.01 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 126.3 | 176.4 | -57.7 | 177 | 0 | 0 | 0 | 109.2 | L924 V926 T973 T986 V987 | L924-I976 HydrophobicContact CD2-CD1 3.71Å; L924-I976 HydrophobicContact CG-CD1 4.08Å; V926-I976 HydrophobicContact CB-CG2 4.08Å; V926-I976 HydrophobicContact CG2-CB 4.45Å; V926-I976 HydrophobicContact CG2-CD1 4.22Å; V926-I976 HydrophobicContact CG2-CG2 3.7Å; T973-I976 WeakPolarHBondContact O-CG1 3.37Å; I976-T986 CarbonylContact O-C 3.5Å; I976-T986 WeakPolarHBondContact O-CA 3.47Å; I976-V987 PolarHBondContact N-O 3.39Å; I976-V987 PolarHBondContact O-N 2.91Å |
| 977 | Q | 83.1 | Confident | 79.4 | Confident | 152 Ų | 152 | 72 Ų | 72 | 71% | 0.71 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 131.9 | 173 | -65.2 | -176.6 | -4.9 | 0 | 0 | 110.4 | H928 T986 | H928-Q977 PolarHBondContact CE1-O 3.5Å; H928-Q977 VanDerWaalsContact CE1-O 3.29Å; Q977-T986 HydrophobicContact CG-CG2 4.27Å |
| 978 | C | 81.7 | Confident | 79.8 | Confident | 6 Ų | 6 | 64.3 Ų | 64.3 | 4% | 0.041 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 159.7 | -179.5 | 54.3 | 0 | 0 | 0 | 0 | 111.9 | V926 V936 K984 C985 | V926-C978 HydrophobicContact CG1-CB 4.27Å; V936-C978 HydrophobicContact CG2-CB 4.08Å; C978-K984 CarbonylContact O-C 3.53Å; C978-K984 WeakPolarHBondContact O-CA 2.99Å; C978-C985 WeakPolarHBondContact CB-SG 3.44Å; C978-C985 PolarHBondContact N-O 3.23Å; C978-C985 PolarHBondContact O-N 3.46Å; C978-C985 PolarHBondContact O-SG 3.01Å; C978-C985 WeakPolarHBondContact SG-CB 3.4Å; C978-C985 PolarHBondContact SG-O 2.84Å; C978-C985 VanDerWaalsContact SG-O 3.33Å; C978-C985 CovalentContact SG-SG 2.08Å; C978-C985 PolarHBondContact SG-SG 2.73Å |
| 979 | S | 80.5 | Confident | 79.9 | Confident | 16 Ų | 16 | 64.9 Ų | 64.9 | 11% | 0.112 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 114.6 | 164.7 | -170.6 | 0 | 0 | 0 | 0 | 111 | S932 D934 R983 | S932-S979 WeakPolarHBondContact O-CB 3.42Å; S932-S979 PolarHBondContact O-OG 3.35Å; D934-S979 WeakPolarHBondContact CB-O 3.25Å; D934-S979 PolarHBondContact N-O 3.12Å; D934-S979 PolarHBondContact OD2-N 3.48Å; S979-R983 WeakPolarHBondContact CA-O 3.43Å |
| 980 | M | 74.3 | Confident | 79.8 | Confident | 24 Ų | 24 | 62.5 Ų | 62.5 | 12% | 0.118 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 113 | 178.2 | -73.6 | -77.6 | -85.7 | 0 | 0 | 109.1 | I874 V936 G982 R983 C985 Y1007 | I874-M980 HydrophobicContact CG2-CE 3.43Å; I874-M980 VanDerWaalsContact CG2-CE 3.43Å; V936-M980 HydrophobicContact CG2-SD 4.23Å; M980-G982 VanDerWaalsContact C-N 3.27Å; M980-G982 PolarHBondContact O-N 2.63Å; M980-R983 PolarHBondContact N-O 3.44Å; M980-R983 PolarHBondContact O-N 3.02Å; M980-C985 WeakPolarHBondContact CG-SG 3.44Å; M980-Y1007 HydrophobicContact CG-CE2 4.44Å |
| 981 | N | 68.1 | Low | 79.5 | Confident | 90 Ų | 90 | 65.4 Ų | 65.4 | 48% | 0.481 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 38.4 | -175.5 | -56.3 | -33.1 | 0 | 0 | 0 | 113.7 | R983 | N981-R983 VanDerWaalsContact C-N 3.33Å; N981-R983 PolarHBondContact O-N 3.01Å |
| 982 | G | 67.5 | Low | 79.2 | Confident | 58 Ų | 58 | 66 Ų | 66 | 60% | 0.598 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83 | -0.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | M980 | M980-G982 VanDerWaalsContact C-N 3.27Å; M980-G982 PolarHBondContact O-N 2.63Å |
| 983 | R | 75 | Confident | 78.6 | Confident | 206 Ų | 206 | 71.3 Ų | 71.3 | 78% | 0.777 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 133.6 | 171.8 | -66.3 | -174.2 | -178.5 | -177.6 | 0.5 | 110.9 | S979 M980 N981 C985 | S979-R983 WeakPolarHBondContact CA-O 3.43Å; M980-R983 PolarHBondContact N-O 3.44Å; M980-R983 PolarHBondContact O-N 3.02Å; N981-R983 VanDerWaalsContact C-N 3.33Å; N981-R983 PolarHBondContact O-N 3.01Å; R983-C985 PolarHBondContact O-N 3.01Å |
| 984 | K | 79.9 | Confident | 77.9 | Confident | 201 Ų | 201 | 76.2 Ų | 76.2 | 87% | 0.874 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 128 | 174 | -65.9 | -175.7 | -179.8 | -179.7 | 0 | 110 | C978 | C978-K984 CarbonylContact O-C 3.53Å; C978-K984 WeakPolarHBondContact O-CA 2.99Å |
| 985 | C | 80.9 | Confident | 77.4 | Confident | 13 Ų | 13 | 75 Ų | 75 | 9% | 0.088 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 154.5 | 179.1 | 49.1 | 0 | 0 | 0 | 0 | 110.4 | C978 M980 R983 Y1007 | C978-C985 WeakPolarHBondContact CB-SG 3.44Å; C978-C985 PolarHBondContact N-O 3.23Å; C978-C985 PolarHBondContact O-N 3.46Å; C978-C985 PolarHBondContact O-SG 3.01Å; C978-C985 WeakPolarHBondContact SG-CB 3.4Å; C978-C985 PolarHBondContact SG-O 2.84Å; C978-C985 VanDerWaalsContact SG-O 3.33Å; C978-C985 CovalentContact SG-SG 2.08Å; C978-C985 PolarHBondContact SG-SG 2.73Å; M980-C985 WeakPolarHBondContact CG-SG 3.44Å; R983-C985 PolarHBondContact O-N 3.01Å; C985-Y1007 HydrophobicContact CB-CD2 4.32Å; C985-Y1007 HydrophobicContact CB-CE2 4.14Å |
| 986 | T | 84.1 | Confident | 76.7 | Confident | 37 Ų | 37 | 76.3 Ų | 76.3 | 23% | 0.227 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 141.7 | 165.7 | 51.6 | 0 | 0 | 0 | 0 | 110.4 | I976 Q977 A1005 G1006 Y1007 | I976-T986 CarbonylContact O-C 3.5Å; I976-T986 WeakPolarHBondContact O-CA 3.47Å; Q977-T986 HydrophobicContact CG-CG2 4.27Å; T986-A1005 PolarHBondContact OG1-O 3.48Å; T986-G1006 CarbonylContact O-C 3.57Å; T986-G1006 VanDerWaalsContact O-CA 3.3Å; T986-G1006 WeakPolarHBondContact O-CA 3.4Å; T986-Y1007 PolarHBondContact O-N 3.37Å |
| 987 | V | 83.4 | Confident | 76 | Confident | 1 Ų | 1 | 82.1 Ų | 82.1 | 1% | 0.006 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 116.3 | 170.8 | -170.6 | 0 | 0 | 0 | 0 | 108.2 | L924 V936 I976 F1000 Y1007 | L924-V987 HydrophobicContact CD1-CG1 4.24Å; L924-V987 HydrophobicContact CD2-CB 4.35Å; L924-V987 HydrophobicContact CD2-CG1 3.66Å; V936-V987 HydrophobicContact CG1-CG2 4.01Å; V936-V987 HydrophobicContact CG2-CG2 4.27Å; I976-V987 PolarHBondContact N-O 3.39Å; I976-V987 PolarHBondContact O-N 2.91Å; V987-F1000 HydrophobicContact CG1-CE1 4.35Å; V987-Y1007 VanDerWaalsContact CA-O 3.3Å; V987-Y1007 WeakPolarHBondContact CA-O 3.23Å |
| 988 | V | 83.6 | Confident | 75.6 | Confident | 45 Ų | 45 | 75.6 Ų | 75.6 | 27% | 0.273 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 143.2 | 176.5 | -175.8 | 0 | 0 | 0 | 0 | 108 | P975 E990 Y1007 I1008 L1009 | P975-V988 HydrophobicContact CB-CG2 3.83Å; V988-E990 HydrophobicContact CG1-CG 4.1Å; V988-Y1007 PolarHBondContact N-O 2.76Å; V988-I1008 CarbonylContact O-C 3.52Å; V988-I1008 WeakPolarHBondContact O-CA 3.48Å; V988-L1009 PolarHBondContact O-N 3.36Å |
| 989 | V | 82.4 | Confident | 75.5 | Confident | 29 Ų | 29 | 77.8 Ų | 77.8 | 18% | 0.176 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 122.1 | 172.8 | -177.2 | 0 | 0 | 0 | 0 | 107.9 | D922 L924 L1009 V1011 | D922-V989 HydrophobicContact CB-CG1 3.95Å; L924-V989 HydrophobicContact CD2-CG2 3.68Å; V989-L1009 WeakPolarHBondContact CA-O 3.29Å; V989-L1009 HydrophobicContact CG2-CD2 4.43Å; V989-V1011 HydrophobicContact CG1-CG1 3.87Å; V989-V1011 HydrophobicContact CG1-CG2 3.79Å |
| 990 | E | 81.1 | Confident | 75.5 | Confident | 82 Ų | 82 | 77.5 Ų | 77.5 | 38% | 0.383 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 132.5 | 177.6 | -71 | -177.5 | 177.2 | 0 | 0 | 110.7 | V988 I1008 L1009 A1010 V1011 | V988-E990 HydrophobicContact CG1-CG 4.1Å; E990-I1008 HydrophobicContact CB-CG2 3.74Å; E990-I1008 HydrophobicContact CG-CG2 3.83Å; E990-L1009 PolarHBondContact N-O 2.89Å; E990-A1010 CarbonylContact O-C 3.56Å; E990-A1010 VanDerWaalsContact O-CA 3.29Å; E990-A1010 WeakPolarHBondContact O-CA 3.02Å; E990-V1011 PolarHBondContact O-N 2.85Å |
| 991 | P | 78.4 | Confident | 75.8 | Confident | 95 Ų | 95 | 78.7 Ų | 78.7 | 62% | 0.617 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 131.7 | 172 | 29.3 | -30.8 | 0 | 0 | 0 | 111.2 | V1011 | P991-V1011 WeakPolarHBondContact CA-O 3.24Å; P991-V1011 HydrophobicContact CB-CG2 4.47Å |
| 992 | K | 76.8 | Confident | 76.2 | Confident | 89 Ų | 89 | 80.9 Ų | 80.9 | 39% | 0.387 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 134.9 | 171.6 | -73.4 | -168.3 | -178.3 | 176.7 | 0 | 111.3 | N994 Q995 A1010 V1011 G1013 | K992-N994 PolarHBondContact O-N 3.41Å; K992-Q995 HydrophobicContact CB-CB 4.25Å; K992-A1010 HydrophobicContact CD-CB 3.83Å; K992-A1010 HydrophobicContact CG-CB 4.1Å; K992-V1011 PolarHBondContact N-O 3.46Å; K992-G1013 PolarHBondContact O-N 3.01Å |
| 993 | I | 70.3 | Confident | 76.6 | Confident | 152 Ų | 152 | 80.6 Ų | 80.6 | 78% | 0.779 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -26.6 | -170.7 | -62.4 | 167 | 0 | 0 | 0 | 112.9 | ||
| 994 | N | 64.9 | Low | 76.3 | Confident | 166 Ų | 166 | 83.3 Ų | 83.3 | 89% | 0.888 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | 30 | -176 | -73.5 | -7.3 | 0 | 0 | 0 | 114.3 | K992 | K992-N994 PolarHBondContact O-N 3.41Š|
| 995 | Q | 67.3 | Low | 75.6 | Confident | 40 Ų | 40 | 77.4 Ų | 77.4 | 19% | 0.187 | 41% | 0.408 | C | S | . | . | trans | -124.1 | 115 | -173.4 | -170.8 | 159.4 | -2.6 | 0 | 0 | 112.3 | K992 H997 A1010 P1012 | K992-Q995 HydrophobicContact CB-CB 4.25Å; Q995-H997 WeakPolarHBondContact CG-O 3.45Å; Q995-H997 PolarHBondContact NE2-O 2.91Å; Q995-H997 VanDerWaalsContact NE2-O 3.09Å; Q995-A1010 PolarHBondContact NE2-O 2.66Å; Q995-P1012 WeakPolarHBondContact O-CA 3.49Å; Q995-P1012 VanDerWaalsContact O-CB 3.31Å; Q995-P1012 WeakPolarHBondContact O-CB 3.29Å; Q995-P1012 WeakPolarHBondContact O-CG 3.27Å | ||
| 996 | S | 63.8 | Low | 75.5 | Confident | 99 Ų | 99 | 77.3 Ų | 77.3 | 69% | 0.692 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -79.7 | -30.1 | -177.8 | 56.6 | 0 | 0 | 0 | 0 | 114 | ||
| 997 | H | 68.9 | Low | 75.4 | Confident | 123 Ų | 123 | 76.6 Ų | 76.6 | 57% | 0.569 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -128.7 | 140.2 | -179.1 | -63.6 | -58.2 | 0 | 0 | 0 | 111.7 | Q995 D999 | Q995-H997 WeakPolarHBondContact CG-O 3.45Å; Q995-H997 PolarHBondContact NE2-O 2.91Å; Q995-H997 VanDerWaalsContact NE2-O 3.09Å; H997-D999 PolarHBondContact O-N 3.31Å |
| 998 | P | 73.8 | Confident | 75.3 | Confident | 15 Ų | 15 | 77.6 Ų | 77.6 | 10% | 0.097 | 41% | 0.408 | C | S | . | . | trans | -60 | 130.3 | 178.8 | 25.5 | -33 | 0 | 0 | 0 | 109.8 | R872 L1009 A1010 V1011 | R872-P998 WeakPolarHBondContact CD-O 3.46Å; R872-P998 PolarHBondContact NH1-O 2.87Å; P998-L1009 HydrophobicContact CB-CD1 4.19Å; P998-A1010 VanDerWaalsContact CA-O 3.26Å; P998-A1010 WeakPolarHBondContact CA-O 3.33Å; P998-V1011 HydrophobicContact CB-CG1 4.38Å | ||
| 999 | D | 79.8 | Confident | 75.3 | Confident | 52 Ų | 52 | 75.4 Ų | 75.4 | 28% | 0.278 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 151.7 | 179.9 | -152.9 | 3.5 | 0 | 0 | 0 | 112.6 | R872 A880 H997 A1010 | R872-D999 IonicContact NH1-OD1 3.98Å; R872-D999 IonicContact NH1-OD2 2.66Å; A880-D999 WeakPolarHBondContact CB-OD1 3.29Å; H997-D999 PolarHBondContact O-N 3.31Å; D999-A1010 PolarHBondContact N-O 3.44Å; D999-A1010 PolarHBondContact O-N 3.25Å |
| 1000 | F | 81.7 | Confident | 75.1 | Confident | 10 Ų | 10 | 74 Ų | 74 | 4% | 0.044 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 130.1 | -177.4 | -69.7 | -83 | 0 | 0 | 0 | 111.2 | R872 I874 A880 L924 V936 C938 V987 L1009 | R872-F1000 HydrophobicContact CG-CD2 4.39Å; R872-F1000 WeakPolarHBondContact O-CE2 3.48Å; I874-F1000 HydrophobicContact CB-CB 4.38Å; I874-F1000 HydrophobicContact CB-CG 4.36Å; I874-F1000 HydrophobicContact CD1-CB 4.1Å; A880-F1000 HydrophobicContact CB-CB 4.3Å; L924-F1000 HydrophobicContact CD1-CE1 4.2Å; L924-F1000 HydrophobicContact CD1-CZ 4.15Å; V936-F1000 HydrophobicContact CG1-CE1 3.98Å; V936-F1000 HydrophobicContact CG1-CZ 4.13Å; C938-F1000 HydrophobicContact CB-CE2 4.04Å; C938-F1000 HydrophobicContact CB-CZ 4.01Å; V987-F1000 HydrophobicContact CG1-CE1 4.35Å; F1000-L1009 HydrophobicContact CD1-CB 4.21Å; F1000-L1009 HydrophobicContact CD1-CD1 4.02Å; F1000-L1009 HydrophobicContact CD2-CD1 4.22Å; F1000-L1009 HydrophobicContact CE1-CB 4.01Å; F1000-L1009 HydrophobicContact CE1-CD1 3.79Å; F1000-L1009 HydrophobicContact CE1-CG 4.39Å; F1000-L1009 HydrophobicContact CE2-CD1 3.99Å; F1000-L1009 HydrophobicContact CG-CD1 4.24Å; F1000-L1009 HydrophobicContact CZ-CD1 3.78Å |
| 1001 | T | 79.1 | Confident | 74.9 | Confident | 49 Ų | 49 | 71 Ų | 71 | 30% | 0.301 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 149.1 | 174.3 | 56.6 | 0 | 0 | 0 | 0 | 110.8 | Y1007 I1008 | T1001-Y1007 WeakPolarHBondContact O-CA 3.4Å; T1001-I1008 PolarHBondContact N-O 3.06Å; T1001-I1008 PolarHBondContact O-N 2.91Å; T1001-I1008 PolarHBondContact OG1-O 3.06Å |
| 1002 | K | 78 | Confident | 74.5 | Confident | 137 Ų | 137 | 68 Ų | 68 | 60% | 0.596 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 132.8 | -178.7 | -170.2 | 179.6 | 178 | 174.1 | 0 | 110.5 | H878 Y1007 | H878-K1002 HydrophobicContact CB-CD 4.17Å; H878-K1002 PolarHBondContact CD2-NZ 3.05Å; H878-K1002 VanDerWaalsContact CD2-NZ 3.35Å; H878-K1002 PolarHBondContact NE2-NZ 3.49Å; H878-K1002 VanDerWaalsContact NE2-NZ 3.12Å; K1002-Y1007 HydrophobicContact CG-CE1 4.48Å |
| 1003 | S | 75.1 | Confident | 73.8 | Confident | 51 Ų | 51 | 64.7 Ų | 64.7 | 36% | 0.357 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 165.6 | 175.3 | -178.4 | 0 | 0 | 0 | 0 | 111.1 | A1005 G1006 | S1003-A1005 VanDerWaalsContact C-N 3.27Å; S1003-A1005 PolarHBondContact O-N 3.23Å; S1003-G1006 PolarHBondContact N-O 3.32Å; S1003-G1006 PolarHBondContact O-N 2.85Å |
| 1004 | R | 69.5 | Low | 73 | Confident | 264 Ų | 264 | 68.6 Ų | 68.6 | 100% | 0.996 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -34.7 | -175 | -71.7 | -175.8 | 179.9 | 178.8 | 0.4 | 113.4 | ||
| 1005 | A | 65.3 | Low | 73.4 | Confident | 76 Ų | 76 | 63.8 Ų | 63.8 | 63% | 0.628 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | -2.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | T986 S1003 | T986-A1005 PolarHBondContact OG1-O 3.48Å; S1003-A1005 VanDerWaalsContact C-N 3.27Å; S1003-A1005 PolarHBondContact O-N 3.23Å |
| 1006 | G | 79 | Confident | 73.7 | Confident | 12 Ų | 12 | 65 Ų | 65 | 12% | 0.124 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.4 | -131.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | T986 S1003 | T986-G1006 CarbonylContact O-C 3.57Å; T986-G1006 VanDerWaalsContact O-CA 3.3Å; T986-G1006 WeakPolarHBondContact O-CA 3.4Å; S1003-G1006 PolarHBondContact N-O 3.32Å; S1003-G1006 PolarHBondContact O-N 2.85Å |
| 1007 | Y | 81.1 | Confident | 74.2 | Confident | 21 Ų | 21 | 63.1 Ų | 63.1 | 8% | 0.082 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 142.5 | -175.8 | -56.7 | -68.8 | 0 | 0 | 0 | 111.4 | I874 H878 M980 C985 T986 V987 V988 T1001 K1002 | I874-Y1007 HydrophobicContact CD1-CD1 3.15Å; I874-Y1007 HydrophobicContact CD1-CD2 4.49Å; I874-Y1007 HydrophobicContact CD1-CE1 3.18Å; I874-Y1007 HydrophobicContact CD1-CG 3.85Å; I874-Y1007 HydrophobicContact CG1-CE1 4.33Å; H878-Y1007 PolarHBondContact CE1-OH 3.47Å; H878-Y1007 VanDerWaalsContact CE1-OH 3.24Å; H878-Y1007 AromaticContact ND1-CE1 3.5Å; H878-Y1007 AromaticContact ND1-CZ 3.61Å; H878-Y1007 PolarHBondContact ND1-OH 2.92Å; M980-Y1007 HydrophobicContact CG-CE2 4.44Å; C985-Y1007 HydrophobicContact CB-CD2 4.32Å; C985-Y1007 HydrophobicContact CB-CE2 4.14Å; T986-Y1007 PolarHBondContact O-N 3.37Å; V987-Y1007 VanDerWaalsContact CA-O 3.3Å; V987-Y1007 WeakPolarHBondContact CA-O 3.23Å; V988-Y1007 PolarHBondContact N-O 2.76Å; T1001-Y1007 WeakPolarHBondContact O-CA 3.4Å; K1002-Y1007 HydrophobicContact CG-CE1 4.48Å |
| 1008 | I | 82.2 | Confident | 74.6 | Confident | 22 Ų | 22 | 59.6 Ų | 59.6 | 11% | 0.113 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 118.8 | 173.6 | -63.1 | 167.1 | 0 | 0 | 0 | 107.5 | V988 E990 T1001 A1010 | V988-I1008 CarbonylContact O-C 3.52Å; V988-I1008 WeakPolarHBondContact O-CA 3.48Å; E990-I1008 HydrophobicContact CB-CG2 3.74Å; E990-I1008 HydrophobicContact CG-CG2 3.83Å; T1001-I1008 PolarHBondContact N-O 3.06Å; T1001-I1008 PolarHBondContact O-N 2.91Å; T1001-I1008 PolarHBondContact OG1-O 3.06Å; I1008-A1010 PolarHBondContact O-N 3.04Å |
| 1009 | L | 82.6 | Confident | 74.6 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 104 | 164.3 | 179.5 | 67.8 | 0 | 0 | 0 | 107.2 | L924 C938 V988 V989 E990 P998 F1000 V1011 | L924-L1009 HydrophobicContact CB-CD2 3.92Å; L924-L1009 HydrophobicContact CD1-CD2 4.21Å; L924-L1009 HydrophobicContact CD2-CD2 4.46Å; L924-L1009 HydrophobicContact CG-CD2 4.42Å; C938-L1009 HydrophobicContact CB-CD1 4.12Å; C938-L1009 HydrophobicContact CB-CD2 4.25Å; V988-L1009 PolarHBondContact O-N 3.36Å; V989-L1009 WeakPolarHBondContact CA-O 3.29Å; V989-L1009 HydrophobicContact CG2-CD2 4.43Å; E990-L1009 PolarHBondContact N-O 2.89Å; P998-L1009 HydrophobicContact CB-CD1 4.19Å; F1000-L1009 HydrophobicContact CD1-CB 4.21Å; F1000-L1009 HydrophobicContact CD1-CD1 4.02Å; F1000-L1009 HydrophobicContact CD2-CD1 4.22Å; F1000-L1009 HydrophobicContact CE1-CB 4.01Å; F1000-L1009 HydrophobicContact CE1-CD1 3.79Å; F1000-L1009 HydrophobicContact CE1-CG 4.39Å; F1000-L1009 HydrophobicContact CE2-CD1 3.99Å; F1000-L1009 HydrophobicContact CG-CD1 4.24Å; F1000-L1009 HydrophobicContact CZ-CD1 3.78Å; L1009-V1011 HydrophobicContact CD2-CG1 3.95Å; L1009-V1011 HydrophobicContact CG-CG1 3.94Å; L1009-V1011 PolarHBondContact O-N 2.88Å |
| 1010 | A | 78.6 | Confident | 74.3 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 114.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | E990 K992 Q995 P998 D999 I1008 | E990-A1010 CarbonylContact O-C 3.56Å; E990-A1010 VanDerWaalsContact O-CA 3.29Å; E990-A1010 WeakPolarHBondContact O-CA 3.02Å; K992-A1010 HydrophobicContact CD-CB 3.83Å; K992-A1010 HydrophobicContact CG-CB 4.1Å; Q995-A1010 PolarHBondContact NE2-O 2.66Å; P998-A1010 VanDerWaalsContact CA-O 3.26Å; P998-A1010 WeakPolarHBondContact CA-O 3.33Å; D999-A1010 PolarHBondContact N-O 3.44Å; D999-A1010 PolarHBondContact O-N 3.25Å; I1008-A1010 PolarHBondContact O-N 3.04Å |
| 1011 | V | 76.3 | Confident | 73.7 | Confident | 17 Ų | 17 | 66.9 Ų | 66.9 | 10% | 0.103 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 152.6 | 178.1 | -66.2 | 0 | 0 | 0 | 0 | 109.9 | D922 V989 E990 P991 K992 P998 L1009 G1013 | D922-V1011 HydrophobicContact CB-CG1 4.03Å; V989-V1011 HydrophobicContact CG1-CG1 3.87Å; V989-V1011 HydrophobicContact CG1-CG2 3.79Å; E990-V1011 PolarHBondContact O-N 2.85Å; P991-V1011 WeakPolarHBondContact CA-O 3.24Å; P991-V1011 HydrophobicContact CB-CG2 4.47Å; K992-V1011 PolarHBondContact N-O 3.46Å; P998-V1011 HydrophobicContact CB-CG1 4.38Å; L1009-V1011 HydrophobicContact CD2-CG1 3.95Å; L1009-V1011 HydrophobicContact CG-CG1 3.94Å; L1009-V1011 PolarHBondContact O-N 2.88Å; V1011-G1013 PolarHBondContact O-N 3.34Å |
| 1012 | P | 69.9 | Low | 73.3 | Confident | 33 Ų | 33 | 68.2 Ų | 68.2 | 21% | 0.214 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 116.5 | 172.9 | -21.5 | 31.3 | 0 | 0 | 0 | 109.5 | Q995 | Q995-P1012 WeakPolarHBondContact O-CA 3.49Å; Q995-P1012 VanDerWaalsContact O-CB 3.31Å; Q995-P1012 WeakPolarHBondContact O-CB 3.29Å; Q995-P1012 WeakPolarHBondContact O-CG 3.27Å |
| 1013 | G | 61.9 | Low | 72.9 | Confident | 20 Ų | 20 | 62.5 Ų | 62.5 | 21% | 0.206 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -78.2 | 132.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | K992 V1011 | K992-G1013 PolarHBondContact O-N 3.01Å; V1011-G1013 PolarHBondContact O-N 3.34Å |
| 1014 | N | 53.5 | Low | 72.7 | Confident | 234 Ų | 234 | 63.5 Ų | 63.5 | 100% | 1.251 | 34% | 0.338 | S | S | * | . | trans | -75.4 | 0 | 167 | -82.7 | 11.7 | 0 | 0 | 0 | 110.7 |
Retrieved 1,014 of 1,014 residues in 279.5 ms
(Link to these results)