| 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 | 60.5 | Low | 64.1 | Low | 83 Ų | 83 | 81.5 Ų | 81.5 | 41% | 0.409 | 44% | 0.444 | S | S | . | . | 0 | -61.7 | 0 | -70.2 | -56.5 | -95.1 | 0 | 0 | 114.3 | H3 L4 V5 L50 I97 | M1-H3 PolarHBondContact O-N 3.27Å; M1-L4 WeakPolarHBondContact O-CA 3.45Å; M1-L4 WeakPolarHBondContact O-CB 3.5Å; M1-L4 PolarHBondContact O-N 2.91Å; M1-V5 PolarHBondContact O-N 3.45Å; M1-L50 HydrophobicContact CE-CD1 3.83Å; M1-L50 HydrophobicContact CE-CD2 4.3Å; M1-L50 HydrophobicContact CE-CG 3.94Å; M1-L50 HydrophobicContact SD-CD1 4.05Å; M1-I97 HydrophobicContact CE-CD1 4.36Å; M1-I97 HydrophobicContact CG-CD1 3.98Å; M1-I97 HydrophobicContact SD-CD1 4.11Å | |||
| 2 | E | 63.7 | Low | 64.7 | Low | 164 Ų | 164 | 87 Ų | 87 | 77% | 0.766 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -57.1 | -41.9 | -171.1 | -62.2 | -176.4 | 149.4 | 0 | 0 | 114.7 | L4 V5 T6 | E2-L4 VanDerWaalsContact C-N 3.29Å; E2-L4 PolarHBondContact O-N 3.27Å; E2-V5 PolarHBondContact O-N 2.84Å; E2-T6 PolarHBondContact O-N 2.99Å; E2-T6 PolarHBondContact O-OG1 3.39Å |
| 3 | H | 66.5 | Low | 66.1 | Low | 168 Ų | 168 | 84.2 Ų | 84.2 | 78% | 0.778 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -63.7 | -31.2 | 174.2 | -67 | -63.9 | 0 | 0 | 0 | 113.6 | M1 T6 F7 | M1-H3 PolarHBondContact O-N 3.27Å; H3-T6 WeakPolarHBondContact O-CB 3.49Å; H3-T6 PolarHBondContact O-N 3.33Å; H3-F7 WeakPolarHBondContact O-CB 3.26Å; H3-F7 PolarHBondContact O-N 3.46Å |
| 4 | L | 66.5 | Low | 67 | Low | 9 Ų | 9 | 78.1 Ų | 78.1 | 5% | 0.047 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -68 | -45.3 | 173 | -106.4 | 160.1 | 0 | 0 | 0 | 110.6 | M1 E2 T6 F7 C8 T46 L89 I90 | M1-L4 WeakPolarHBondContact O-CA 3.45Å; M1-L4 WeakPolarHBondContact O-CB 3.5Å; M1-L4 PolarHBondContact O-N 2.91Å; E2-L4 VanDerWaalsContact C-N 3.29Å; E2-L4 PolarHBondContact O-N 3.27Å; L4-T6 PolarHBondContact O-N 3.06Å; L4-F7 WeakPolarHBondContact O-CB 3.42Å; L4-F7 PolarHBondContact O-N 2.81Å; L4-F7 VanDerWaalsContact O-N 3.16Å; L4-C8 PolarHBondContact O-N 3.35Å; L4-C8 VanDerWaalsContact O-N 3.12Å; L4-C8 PolarHBondContact O-SG 2.95Å; L4-T46 HydrophobicContact CD2-CG2 3.67Å; L4-L89 HydrophobicContact CD1-CD2 4.48Å; L4-L89 HydrophobicContact CD1-CG 4.3Å; L4-L89 HydrophobicContact CD2-CD2 4.01Å; L4-L89 HydrophobicContact CG-CD2 3.97Å; L4-L89 HydrophobicContact CG-CG 4.33Å; L4-I90 HydrophobicContact CD1-CG1 4.08Å; L4-I90 HydrophobicContact CD2-CG1 4.04Å |
| 5 | V | 66.6 | Low | 67.9 | Low | 70 Ų | 70 | 75.9 Ų | 75.9 | 42% | 0.424 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.6 | -35.7 | 171.9 | 180 | 0 | 0 | 0 | 0 | 111.4 | M1 E2 C8 L50 | M1-V5 PolarHBondContact O-N 3.45Å; E2-V5 PolarHBondContact O-N 2.84Å; V5-C8 WeakPolarHBondContact O-CB 3.35Å; V5-C8 PolarHBondContact O-N 2.86Å; V5-L50 HydrophobicContact CG2-CD2 3.65Å |
| 6 | T | 68.9 | Low | 68.6 | Low | 105 Ų | 105 | 75.9 Ų | 75.9 | 64% | 0.644 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -71.5 | -34.3 | 177 | -50.4 | 0 | 0 | 0 | 0 | 112.4 | E2 H3 L4 C8 | E2-T6 PolarHBondContact O-N 2.99Å; E2-T6 PolarHBondContact O-OG1 3.39Å; H3-T6 WeakPolarHBondContact O-CB 3.49Å; H3-T6 PolarHBondContact O-N 3.33Å; L4-T6 PolarHBondContact O-N 3.06Å; T6-C8 VanDerWaalsContact C-N 3.3Å |
| 7 | F | 68.1 | Low | 69.5 | Low | 81 Ų | 81 | 71.6 Ų | 71.6 | 36% | 0.355 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68.5 | -29.1 | 174.4 | -179.1 | -103.3 | 0 | 0 | 0 | 112.7 | H3 L4 C9 K43 | H3-F7 WeakPolarHBondContact O-CB 3.26Å; H3-F7 PolarHBondContact O-N 3.46Å; L4-F7 WeakPolarHBondContact O-CB 3.42Å; L4-F7 PolarHBondContact O-N 2.81Å; L4-F7 VanDerWaalsContact O-N 3.16Å; F7-C9 VanDerWaalsContact C-N 3.33Å; F7-C9 PolarHBondContact O-N 2.97Å; F7-C9 PolarHBondContact O-SG 3.06Å; F7-K43 HydrophobicContact CD1-CG 4.09Å; F7-K43 HydrophobicContact CE1-CD 4.43Å; F7-K43 HydrophobicContact CE1-CG 3.6Å; F7-K43 VanDerWaalsContact CE2-CE 3.44Å; F7-K43 HydrophobicContact CZ-CD 4.37Å; F7-K43 HydrophobicContact CZ-CG 3.87Å |
| 8 | C | 65.9 | Low | 70.2 | Confident | 3 Ų | 3 | 68.9 Ų | 68.9 | 2% | 0.02 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -74.6 | 74.7 | 173.5 | -67.7 | 0 | 0 | 0 | 0 | 112 | L4 V5 T6 S10 P11 D47 | L4-C8 PolarHBondContact O-N 3.35Å; L4-C8 VanDerWaalsContact O-N 3.12Å; L4-C8 PolarHBondContact O-SG 2.95Å; V5-C8 WeakPolarHBondContact O-CB 3.35Å; V5-C8 PolarHBondContact O-N 2.86Å; T6-C8 VanDerWaalsContact C-N 3.3Å; C8-S10 PolarHBondContact O-N 3.28Å; C8-P11 WeakPolarHBondContact O-CD 3.35Å; C8-D47 HydrophobicContact CB-CB 3.75Å; C8-D47 VanDerWaalsContact SG-CA 3.55Å; C8-D47 PolarHBondContact SG-N 2.84Å |
| 9 | C | 58.1 | Low | 70.8 | Confident | 88 Ų | 88 | 74.3 Ų | 74.3 | 60% | 0.595 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -61.9 | 16.8 | -168.9 | -50 | 0 | 0 | 0 | 0 | 118.1 | F7 | F7-C9 VanDerWaalsContact C-N 3.33Å; F7-C9 PolarHBondContact O-N 2.97Å; F7-C9 PolarHBondContact O-SG 3.06Å |
| 10 | S | 60.2 | Low | 71.3 | Confident | 62 Ų | 62 | 74 Ų | 74 | 43% | 0.434 | 40% | 0.396 | S | S | . | . | trans | -158.6 | 60.9 | 177.3 | -76.3 | 0 | 0 | 0 | 0 | 113.1 | C8 I12 F13 | C8-S10 PolarHBondContact O-N 3.28Å; S10-I12 PolarHBondContact O-N 3.1Å; S10-I12 VanDerWaalsContact O-N 3.09Å; S10-F13 PolarHBondContact O-N 3.31Å | ||
| 11 | P | 60.3 | Low | 71.9 | Confident | 64 Ų | 64 | 71.9 Ų | 71.9 | 42% | 0.416 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.5 | -26.3 | -172.9 | 25.5 | -35 | 0 | 0 | 0 | 113.8 | C8 T15 K51 | C8-P11 WeakPolarHBondContact O-CD 3.35Å; P11-T15 PolarHBondContact O-OG1 3.47Å; P11-K51 PolarHBondContact O-NZ 2.84Å |
| 12 | I | 71.5 | Confident | 72.7 | Confident | 147 Ų | 147 | 77.1 Ų | 77.1 | 75% | 0.754 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -68.5 | -35.7 | 177.3 | -58.3 | 173.8 | 0 | 0 | 0 | 111.4 | S10 S16 | S10-I12 PolarHBondContact O-N 3.1Å; S10-I12 VanDerWaalsContact O-N 3.09Å; I12-S16 WeakPolarHBondContact O-CB 3.49Å; I12-S16 PolarHBondContact O-N 3.36Å |
| 13 | F | 82.2 | Confident | 73.5 | Confident | 50 Ų | 50 | 76.2 Ų | 76.2 | 22% | 0.219 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -67 | -49.2 | -171.7 | 174.7 | -98.5 | 0 | 0 | 0 | 112.5 | S10 S16 C17 F29 K32 L44 | S10-F13 PolarHBondContact O-N 3.31Å; F13-S16 CarbonylContact O-C 3.53Å; F13-S16 WeakPolarHBondContact O-CB 3.43Å; F13-S16 PolarHBondContact O-N 3.33Å; F13-S16 VanDerWaalsContact O-N 3.17Å; F13-C17 VanDerWaalsContact CE1-SG 3.57Å; F13-C17 WeakPolarHBondContact CZ-SG 3.36Å; F13-C17 PolarHBondContact O-N 3.47Å; F13-C17 PolarHBondContact O-SG 2.92Å; F13-F29 HydrophobicContact CE1-CD2 4.12Å; F13-K32 HydrophobicContact CD1-CG 4.26Å; F13-K32 HydrophobicContact CD2-CD 4.46Å; F13-K32 HydrophobicContact CE1-CB 3.68Å; F13-K32 HydrophobicContact CE1-CD 4.46Å; F13-K32 HydrophobicContact CE1-CG 3.69Å; F13-K32 HydrophobicContact CE2-CB 4.23Å; F13-K32 HydrophobicContact CE2-CD 3.96Å; F13-K32 HydrophobicContact CE2-CG 4.09Å; F13-K32 HydrophobicContact CZ-CB 3.41Å; F13-K32 VanDerWaalsContact CZ-CB 3.41Å; F13-K32 HydrophobicContact CZ-CD 3.97Å; F13-K32 HydrophobicContact CZ-CG 3.6Å; F13-L44 HydrophobicContact CD1-CD2 3.57Å; F13-L44 HydrophobicContact CE1-CD2 3.88Å |
| 14 | T | 79.3 | Confident | 74.1 | Confident | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -70.4 | -37 | -175.5 | -42.4 | 0 | 0 | 0 | 0 | 111.8 | S16 C17 L18 F29 D47 L48 K51 | T14-S16 VanDerWaalsContact C-N 3.3Å; T14-S16 PolarHBondContact O-N 3.33Å; T14-C17 WeakPolarHBondContact O-CB 3.23Å; T14-C17 PolarHBondContact O-N 3.46Å; T14-C17 VanDerWaalsContact O-N 3.08Å; T14-L18 WeakPolarHBondContact O-CG 3.41Å; T14-L18 PolarHBondContact O-N 3.08Å; T14-F29 HydrophobicContact CG2-CD2 4.36Å; T14-F29 HydrophobicContact CG2-CE2 3.98Å; T14-D47 WeakPolarHBondContact CB-OD2 3.22Å; T14-D47 PolarHBondContact OG1-OD2 3.2Å; T14-L48 HydrophobicContact CG2-CB 3.71Å; T14-L48 HydrophobicContact CG2-CD1 3.69Å; T14-L48 HydrophobicContact CG2-CG 4.3Å; T14-K51 HydrophobicContact CG2-CD 4.5Å |
| 15 | T | 79.7 | Confident | 74.8 | Confident | 44 Ų | 44 | 74 Ų | 74 | 27% | 0.27 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.5 | -31.6 | 173 | -56.2 | 0 | 0 | 0 | 0 | 111.1 | P11 K19 K51 E56 | P11-T15 PolarHBondContact O-OG1 3.47Å; T15-K19 WeakPolarHBondContact O-CG 3.31Å; T15-K19 PolarHBondContact O-N 3.23Å; T15-K51 WeakPolarHBondContact OG1-CD 3.26Å; T15-K51 WeakPolarHBondContact OG1-CE 3.26Å; T15-K51 PolarHBondContact OG1-NZ 3.44Å; T15-K51 VanDerWaalsContact OG1-NZ 3.17Å; T15-E56 PolarHBondContact OG1-OE2 3.2Å |
| 16 | S | 80.4 | Confident | 75.6 | Confident | 76 Ų | 76 | 74.5 Ų | 74.5 | 53% | 0.531 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -68.3 | -33.5 | 168.3 | -167.7 | 0 | 0 | 0 | 0 | 112.8 | I12 F13 T14 | I12-S16 WeakPolarHBondContact O-CB 3.49Å; I12-S16 PolarHBondContact O-N 3.36Å; F13-S16 CarbonylContact O-C 3.53Å; F13-S16 WeakPolarHBondContact O-CB 3.43Å; F13-S16 PolarHBondContact O-N 3.33Å; F13-S16 VanDerWaalsContact O-N 3.17Å; T14-S16 VanDerWaalsContact C-N 3.3Å; T14-S16 PolarHBondContact O-N 3.33Å |
| 17 | C | 82.6 | Confident | 76.3 | Confident | 4 Ų | 4 | 76.6 Ų | 76.6 | 3% | 0.027 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -71.4 | -38.6 | 175.3 | -66.2 | 0 | 0 | 0 | 0 | 111.8 | F13 T14 K19 W21 G25 F29 | F13-C17 VanDerWaalsContact CE1-SG 3.57Å; F13-C17 WeakPolarHBondContact CZ-SG 3.36Å; F13-C17 PolarHBondContact O-N 3.47Å; F13-C17 PolarHBondContact O-SG 2.92Å; T14-C17 WeakPolarHBondContact O-CB 3.23Å; T14-C17 PolarHBondContact O-N 3.46Å; T14-C17 VanDerWaalsContact O-N 3.08Å; C17-K19 VanDerWaalsContact C-N 3.34Å; C17-K19 PolarHBondContact O-N 3.45Å; C17-W21 HydrophobicContact CB-CE3 4.2Å; C17-W21 HydrophobicContact CB-CZ3 4.11Å; C17-W21 VanDerWaalsContact O-CA 3.23Å; C17-W21 WeakPolarHBondContact O-CA 3.35Å; C17-W21 PolarHBondContact O-N 2.65Å; C17-W21 VanDerWaalsContact O-N 3.1Å; C17-G25 WeakPolarHBondContact O-CA 3.39Å; C17-F29 HydrophobicContact CB-CB 4.44Å |
| 18 | L | 82.5 | Confident | 77.1 | Confident | 23 Ų | 23 | 76.5 Ų | 76.5 | 12% | 0.12 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.3 | -38.1 | 177.8 | -76.4 | 168 | 0 | 0 | 0 | 112.5 | T14 D20 W21 L48 K51 L52 E56 I61 | T14-L18 WeakPolarHBondContact O-CG 3.41Å; T14-L18 PolarHBondContact O-N 3.08Å; L18-D20 PolarHBondContact O-N 2.83Å; L18-W21 HydrophobicContact CD2-CE3 4.38Å; L18-L48 HydrophobicContact CD1-CD1 4.31Å; L18-L48 HydrophobicContact CD2-CD1 3.82Å; L18-L48 HydrophobicContact CG-CD1 4.09Å; L18-K51 HydrophobicContact CD1-CB 4.01Å; L18-K51 HydrophobicContact CD1-CD 4.41Å; L18-L52 HydrophobicContact CD2-CD2 4.1Å; L18-E56 HydrophobicContact CD1-CB 4.03Å; L18-I61 HydrophobicContact CD2-CD1 4.06Å |
| 19 | K | 80.8 | Confident | 78.1 | Confident | 171 Ų | 171 | 76.4 Ų | 76.4 | 74% | 0.743 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -61.6 | -38.2 | -179.7 | -76.4 | 179.4 | 178.4 | -176.8 | 0 | 114.6 | T15 C17 | T15-K19 WeakPolarHBondContact O-CG 3.31Å; T15-K19 PolarHBondContact O-N 3.23Å; C17-K19 VanDerWaalsContact C-N 3.34Å; C17-K19 PolarHBondContact O-N 3.45Å |
| 20 | D | 81.6 | Confident | 79.3 | Confident | 68 Ų | 68 | 73.2 Ų | 73.2 | 36% | 0.364 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | 33.3 | -179.9 | -82.1 | -73.3 | 0 | 0 | 0 | 112 | L18 E22 K23 F24 G25 | L18-D20 PolarHBondContact O-N 2.83Å; D20-E22 VanDerWaalsContact C-N 3.3Å; D20-E22 PolarHBondContact O-N 3.31Å; D20-E22 VanDerWaalsContact O-N 3.16Å; D20-K23 PolarHBondContact O-N 3.08Å; D20-K23 IonicContact OD1-NZ 2.71Å; D20-K23 PolarHBondContact OD1-NZ 2.75Å; D20-F24 PolarHBondContact O-N 3.45Å; D20-G25 PolarHBondContact O-N 2.77Å |
| 21 | W | 83.9 | Confident | 80.5 | Confident | 29 Ų | 29 | 73 Ų | 73 | 11% | 0.11 | 36% | 0.358 | C | S | . | . | I | π-helix | trans | -52.4 | -43.8 | -168.5 | -170.1 | -94 | 0 | 0 | 0 | 114.1 | C17 L18 R26 F29 L48 I61 L65 | C17-W21 HydrophobicContact CB-CE3 4.2Å; C17-W21 HydrophobicContact CB-CZ3 4.11Å; C17-W21 VanDerWaalsContact O-CA 3.23Å; C17-W21 WeakPolarHBondContact O-CA 3.35Å; C17-W21 PolarHBondContact O-N 2.65Å; C17-W21 VanDerWaalsContact O-N 3.1Å; L18-W21 HydrophobicContact CD2-CE3 4.38Å; W21-R26 HydrophobicContact CD2-CB 4.37Å; W21-R26 HydrophobicContact CZ2-CB 3.97Å; W21-R26 HydrophobicContact CZ2-CG 4.1Å; W21-R26 PolarHBondContact O-N 3.49Å; W21-R26 VanDerWaalsContact O-N 3.08Å; W21-F29 HydrophobicContact CH2-CB 4.14Å; W21-F29 HydrophobicContact CH2-CD1 4.29Å; W21-F29 HydrophobicContact CH2-CG 4.1Å; W21-F29 HydrophobicContact CZ3-CB 4.15Å; W21-F29 HydrophobicContact CZ3-CD2 4.43Å; W21-F29 HydrophobicContact CZ3-CG 4.25Å; W21-L48 HydrophobicContact CH2-CD2 4.02Å; W21-L48 HydrophobicContact CZ3-CD1 4.22Å; W21-L48 HydrophobicContact CZ3-CD2 4.45Å; W21-I61 HydrophobicContact CD2-CD1 4.2Å; W21-I61 HydrophobicContact CD2-CG2 4.09Å; W21-I61 HydrophobicContact CG-CD1 3.98Å; W21-I61 HydrophobicContact CG-CG1 4.37Å; W21-I61 HydrophobicContact CH2-CG2 4.05Å; W21-I61 HydrophobicContact CZ2-CG2 3.32Å; W21-L65 HydrophobicContact CH2-CD1 4.22Å; W21-L65 HydrophobicContact CH2-CD2 3.98Å; W21-L65 HydrophobicContact CZ2-CD1 4.13Å; W21-L65 HydrophobicContact CZ2-CD2 4.19Å |
| 22 | E | 78.2 | Confident | 81.5 | Confident | 193 Ų | 193 | 74.2 Ų | 74.2 | 90% | 0.902 | 36% | 0.357 | S | S | * | . | I | π-helix | trans | -74.4 | -27.5 | -178.1 | -60.9 | -171.9 | 152.7 | 0 | 0 | 114 | D20 | D20-E22 VanDerWaalsContact C-N 3.3Å; D20-E22 PolarHBondContact O-N 3.31Å; D20-E22 VanDerWaalsContact O-N 3.16Å |
| 23 | K | 78.9 | Confident | 82 | Confident | 146 Ų | 146 | 67.2 Ų | 67.2 | 64% | 0.635 | 32% | 0.321 | S | S | * | . | I | π-helix | trans | -88.5 | -54.9 | -178.9 | -59.9 | -178.7 | -159 | 140.4 | 0 | 112 | D20 | D20-K23 PolarHBondContact O-N 3.08Å; D20-K23 IonicContact OD1-NZ 2.71Å; D20-K23 PolarHBondContact OD1-NZ 2.75Å |
| 24 | F | 80.9 | Confident | 82 | Confident | 129 Ų | 129 | 71.2 Ų | 71.2 | 57% | 0.566 | 34% | 0.338 | S | S | * | . | I | π-helix | trans | -137.7 | -27.1 | -170.6 | -58.4 | -65.8 | 0 | 0 | 0 | 112.9 | D20 R26 K27 N28 | D20-F24 PolarHBondContact O-N 3.45Å; F24-R26 PolarHBondContact O-N 2.82Å; F24-K27 PolarHBondContact O-N 3.43Å; F24-K27 VanDerWaalsContact O-N 3.11Å; F24-N28 WeakPolarHBondContact O-CB 2.99Å; F24-N28 VanDerWaalsContact O-CG 3.24Å; F24-N28 PolarHBondContact O-N 2.95Å; F24-N28 PolarHBondContact O-OD1 3.47Å |
| 25 | G | 80.3 | Confident | 82.1 | Confident | 1 Ų | 1 | 77.6 Ų | 77.6 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | I | π-helix | trans | -59.8 | -46.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | C17 D20 K27 N28 F29 | C17-G25 WeakPolarHBondContact O-CA 3.39Å; D20-G25 PolarHBondContact O-N 2.77Å; G25-K27 VanDerWaalsContact C-N 3.32Å; G25-K27 PolarHBondContact O-N 3.06Å; G25-N28 PolarHBondContact O-N 3.33Å; G25-F29 VanDerWaalsContact O-CB 3.27Å; G25-F29 WeakPolarHBondContact O-CB 3.33Å; G25-F29 PolarHBondContact O-N 2.65Å |
| 26 | R | 84.2 | Confident | 81.8 | Confident | 80 Ų | 80 | 77.4 Ų | 77.4 | 30% | 0.302 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -56.5 | -45.2 | 174 | -176.4 | -175.1 | 179 | -159.1 | 10.7 | 111.8 | W21 F24 L30 K64 E68 | W21-R26 HydrophobicContact CD2-CB 4.37Å; W21-R26 HydrophobicContact CZ2-CB 3.97Å; W21-R26 HydrophobicContact CZ2-CG 4.1Å; W21-R26 PolarHBondContact O-N 3.49Å; W21-R26 VanDerWaalsContact O-N 3.08Å; F24-R26 PolarHBondContact O-N 2.82Å; R26-L30 HydrophobicContact CG-CD1 3.91Å; R26-L30 WeakPolarHBondContact O-CB 3.33Å; R26-L30 WeakPolarHBondContact O-CD1 3.44Å; R26-L30 VanDerWaalsContact O-CG 3.29Å; R26-L30 WeakPolarHBondContact O-CG 3.3Å; R26-L30 PolarHBondContact O-N 3.24Å; R26-K64 PolarHBondContact NH2-O 3.12Å; R26-E68 IonicContact CZ-OE1 3.99Å; R26-E68 IonicContact CZ-OE2 2.93Å; R26-E68 IonicContact NE-OE1 2.83Å; R26-E68 IonicContact NE-OE2 2.72Å; R26-E68 PolarHBondContact NE-OE2 3.32Å; R26-E68 IonicContact NH1-OE1 3.35Å; R26-E68 IonicContact NH2-OE1 3.93Å; R26-E68 PolarHBondContact NH2-OE1 2.92Å; R26-E68 IonicContact NH2-OE2 3.08Å; R26-E68 PolarHBondContact NH2-OE2 3.46Å |
| 27 | K | 83.4 | Confident | 81.8 | Confident | 149 Ų | 149 | 75.2 Ų | 75.2 | 65% | 0.648 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -65.9 | -47.9 | -179.6 | -173.1 | -179.4 | 179.5 | -176.8 | 0 | 110.9 | F24 G25 F29 L30 T31 | F24-K27 PolarHBondContact O-N 3.43Å; F24-K27 VanDerWaalsContact O-N 3.11Å; G25-K27 VanDerWaalsContact C-N 3.32Å; G25-K27 PolarHBondContact O-N 3.06Å; K27-F29 PolarHBondContact O-N 3.03Å; K27-L30 PolarHBondContact O-N 3.32Å; K27-T31 WeakPolarHBondContact O-CB 3.31Å; K27-T31 PolarHBondContact O-N 3.05Å; K27-T31 PolarHBondContact O-OG1 3.09Å; K27-T31 VanDerWaalsContact O-OG1 3.07Å |
| 28 | N | 84.5 | Confident | 81.8 | Confident | 80 Ų | 80 | 75.8 Ų | 75.8 | 43% | 0.428 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.4 | -44 | 179.4 | -67.9 | -4.7 | 0 | 0 | 0 | 111.3 | F24 G25 T31 K32 | F24-N28 WeakPolarHBondContact O-CB 2.99Å; F24-N28 VanDerWaalsContact O-CG 3.24Å; F24-N28 PolarHBondContact O-N 2.95Å; F24-N28 PolarHBondContact O-OD1 3.47Å; G25-N28 PolarHBondContact O-N 3.33Å; N28-T31 PolarHBondContact O-N 2.97Å; N28-K32 WeakPolarHBondContact O-CB 3.47Å; N28-K32 PolarHBondContact O-N 3.49Å |
| 29 | F | 86.7 | Confident | 81.7 | Confident | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60.7 | -47.5 | 176.5 | -172.6 | -87.7 | 0 | 0 | 0 | 111.8 | F13 T14 C17 W21 G25 K27 K32 C33 L44 L48 L65 | F13-F29 HydrophobicContact CE1-CD2 4.12Å; T14-F29 HydrophobicContact CG2-CD2 4.36Å; T14-F29 HydrophobicContact CG2-CE2 3.98Å; C17-F29 HydrophobicContact CB-CB 4.44Å; W21-F29 HydrophobicContact CH2-CB 4.14Å; W21-F29 HydrophobicContact CH2-CD1 4.29Å; W21-F29 HydrophobicContact CH2-CG 4.1Å; W21-F29 HydrophobicContact CZ3-CB 4.15Å; W21-F29 HydrophobicContact CZ3-CD2 4.43Å; W21-F29 HydrophobicContact CZ3-CG 4.25Å; G25-F29 VanDerWaalsContact O-CB 3.27Å; G25-F29 WeakPolarHBondContact O-CB 3.33Å; G25-F29 PolarHBondContact O-N 2.65Å; K27-F29 PolarHBondContact O-N 3.03Å; F29-K32 PolarHBondContact O-N 3.04Å; F29-C33 PolarHBondContact O-N 2.96Å; F29-C33 PolarHBondContact O-SG 2.96Å; F29-L44 HydrophobicContact CE2-CB 3.95Å; F29-L44 WeakPolarHBondContact CE2-O 3.25Å; F29-L44 HydrophobicContact CZ-CB 3.89Å; F29-L44 WeakPolarHBondContact CZ-O 3.29Å; F29-L48 HydrophobicContact CE1-CD2 4.18Å; F29-L48 HydrophobicContact CE2-CB 4.05Å; F29-L48 HydrophobicContact CE2-CD2 4.14Å; F29-L48 HydrophobicContact CZ-CB 4.06Å; F29-L48 HydrophobicContact CZ-CD2 3.83Å; F29-L65 HydrophobicContact CD1-CD1 3.96Å; F29-L65 HydrophobicContact CD1-CD2 4.2Å; F29-L65 HydrophobicContact CE1-CD1 4.28Å; F29-L65 HydrophobicContact CE1-CD2 3.87Å |
| 30 | L | 83.3 | Confident | 81.7 | Confident | 21 Ų | 21 | 72.9 Ų | 72.9 | 11% | 0.11 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.9 | -37.5 | 177.5 | -71.3 | 163.8 | 0 | 0 | 0 | 113 | R26 K27 K34 L65 E68 L69 I72 | R26-L30 HydrophobicContact CG-CD1 3.91Å; R26-L30 WeakPolarHBondContact O-CB 3.33Å; R26-L30 WeakPolarHBondContact O-CD1 3.44Å; R26-L30 VanDerWaalsContact O-CG 3.29Å; R26-L30 WeakPolarHBondContact O-CG 3.3Å; R26-L30 PolarHBondContact O-N 3.24Å; K27-L30 PolarHBondContact O-N 3.32Å; L30-K34 WeakPolarHBondContact O-CG 3.42Å; L30-K34 PolarHBondContact O-N 3.42Å; L30-L65 HydrophobicContact CD1-CD1 4.41Å; L30-L65 HydrophobicContact CD2-CD1 3.77Å; L30-L65 HydrophobicContact CG-CD1 3.98Å; L30-E68 HydrophobicContact CD1-CB 4.48Å; L30-E68 WeakPolarHBondContact CD1-OE2 3.33Å; L30-E68 HydrophobicContact CD2-CB 4.12Å; L30-L69 HydrophobicContact CD2-CD2 4.29Å; L30-L69 HydrophobicContact CD2-CG 4.45Å; L30-I72 HydrophobicContact CD2-CD1 3.82Å |
| 31 | T | 84.6 | Confident | 81.8 | Confident | 59 Ų | 59 | 69.7 Ų | 69.7 | 36% | 0.362 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.7 | -48.1 | 171.8 | -63.1 | 0 | 0 | 0 | 0 | 110.6 | K27 N28 C33 K34 E35 | K27-T31 WeakPolarHBondContact O-CB 3.31Å; K27-T31 PolarHBondContact O-N 3.05Å; K27-T31 PolarHBondContact O-OG1 3.09Å; K27-T31 VanDerWaalsContact O-OG1 3.07Å; N28-T31 PolarHBondContact O-N 2.97Å; T31-C33 VanDerWaalsContact C-N 3.31Å; T31-C33 PolarHBondContact O-N 2.79Å; T31-K34 WeakPolarHBondContact O-CB 3.24Å; T31-K34 PolarHBondContact O-N 3.25Å; T31-E35 HydrophobicContact CG2-CG 4.32Å; T31-E35 WeakPolarHBondContact CG2-OE1 3.45Å; T31-E35 WeakPolarHBondContact O-CG 3.27Å; T31-E35 PolarHBondContact O-N 2.98Å |
| 32 | K | 82.6 | Confident | 81.8 | Confident | 89 Ų | 89 | 68.6 Ų | 68.6 | 39% | 0.387 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.8 | -39.1 | 179.2 | -159.1 | 76.1 | -177.2 | 165.6 | 0 | 112.8 | F13 N28 F29 E35 G36 L44 | F13-K32 HydrophobicContact CD1-CG 4.26Å; F13-K32 HydrophobicContact CD2-CD 4.46Å; F13-K32 HydrophobicContact CE1-CB 3.68Å; F13-K32 HydrophobicContact CE1-CD 4.46Å; F13-K32 HydrophobicContact CE1-CG 3.69Å; F13-K32 HydrophobicContact CE2-CB 4.23Å; F13-K32 HydrophobicContact CE2-CD 3.96Å; F13-K32 HydrophobicContact CE2-CG 4.09Å; F13-K32 HydrophobicContact CZ-CB 3.41Å; F13-K32 VanDerWaalsContact CZ-CB 3.41Å; F13-K32 HydrophobicContact CZ-CD 3.97Å; F13-K32 HydrophobicContact CZ-CG 3.6Å; N28-K32 WeakPolarHBondContact O-CB 3.47Å; N28-K32 PolarHBondContact O-N 3.49Å; F29-K32 PolarHBondContact O-N 3.04Å; K32-E35 IonicContact NZ-OE2 2.81Å; K32-E35 PolarHBondContact O-N 3.38Å; K32-G36 PolarHBondContact O-N 3.04Å; K32-G36 VanDerWaalsContact O-N 3.11Å; K32-L44 HydrophobicContact CB-CD1 4.01Å; K32-L44 HydrophobicContact CG-CD1 3.73Å; K32-L44 HydrophobicContact CG-CD2 4.39Å |
| 33 | C | 82.3 | Confident | 82 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.6 | -48.2 | 171.8 | -71.9 | 0 | 0 | 0 | 0 | 111.5 | F29 T31 E35 G36 G37 L69 F73 | F29-C33 PolarHBondContact O-N 2.96Å; F29-C33 PolarHBondContact O-SG 2.96Å; T31-C33 VanDerWaalsContact C-N 3.31Å; T31-C33 PolarHBondContact O-N 2.79Å; C33-E35 PolarHBondContact O-N 3.49Å; C33-G36 PolarHBondContact O-N 3.42Å; C33-G37 PolarHBondContact O-N 3.46Å; C33-L69 HydrophobicContact CB-CD2 4.29Å; C33-F73 HydrophobicContact CB-CE2 4.1Å; C33-F73 HydrophobicContact CB-CZ 4.28Å; C33-F73 WeakPolarHBondContact O-CZ 3.12Å |
| 34 | K | 80.8 | Confident | 82.3 | Confident | 134 Ų | 134 | 56.1 Ų | 56.1 | 58% | 0.583 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -61.8 | -40.2 | 177.6 | -74.1 | 177.7 | 177.6 | -171.5 | 0 | 113 | L30 T31 I72 | L30-K34 WeakPolarHBondContact O-CG 3.42Å; L30-K34 PolarHBondContact O-N 3.42Å; T31-K34 WeakPolarHBondContact O-CB 3.24Å; T31-K34 PolarHBondContact O-N 3.25Å; K34-I72 HydrophobicContact CD-CD1 4.47Å; K34-I72 VanDerWaalsContact CE-CD1 3.46Å; K34-I72 HydrophobicContact CG-CD1 4.28Å; K34-I72 HydrophobicContact CG-CG2 3.88Å |
| 35 | E | 82.7 | Confident | 82.6 | Confident | 133 Ų | 133 | 50.2 Ų | 50.2 | 62% | 0.621 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -65.6 | -39 | 178.5 | -72.8 | 170.3 | 176.2 | 0 | 0 | 112.8 | T31 K32 C33 | T31-E35 HydrophobicContact CG2-CG 4.32Å; T31-E35 WeakPolarHBondContact CG2-OE1 3.45Å; T31-E35 WeakPolarHBondContact O-CG 3.27Å; T31-E35 PolarHBondContact O-N 2.98Å; K32-E35 IonicContact NZ-OE2 2.81Å; K32-E35 PolarHBondContact O-N 3.38Å; C33-E35 PolarHBondContact O-N 3.49Å |
| 36 | G | 72.8 | Confident | 82.9 | Confident | 41 Ų | 41 | 50.3 Ų | 50.3 | 42% | 0.423 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -92.3 | -4.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116 | K32 C33 A40 | K32-G36 PolarHBondContact O-N 3.04Å; K32-G36 VanDerWaalsContact O-N 3.11Å; C33-G36 PolarHBondContact O-N 3.42Å; G36-A40 WeakPolarHBondContact O-CB 3.37Å |
| 37 | G | 81.2 | Confident | 82.9 | Confident | 29 Ų | 29 | 46.8 Ų | 46.8 | 30% | 0.299 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | 67.8 | -172.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | C33 T39 A40 S41 | C33-G37 PolarHBondContact O-N 3.46Å; G37-T39 PolarHBondContact O-N 3.46Å; G37-A40 PolarHBondContact O-N 3.35Å; G37-S41 WeakPolarHBondContact O-CB 3.35Å; G37-S41 PolarHBondContact O-N 2.96Å; G37-S41 PolarHBondContact O-OG 2.98Å |
| 38 | V | 81.3 | Confident | 83.1 | Confident | 16 Ų | 16 | 39.7 Ų | 39.7 | 10% | 0.097 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -55.7 | -52.2 | -173.5 | 166.7 | 0 | 0 | 0 | 0 | 112.6 | A40 S41 V42 F73 N76 F79 D82 | V38-A40 PolarHBondContact O-N 3.16Å; V38-S41 PolarHBondContact O-N 3.01Å; V38-S41 PolarHBondContact O-OG 3.29Å; V38-S41 VanDerWaalsContact O-OG 3.05Å; V38-V42 HydrophobicContact CG1-CG2 4.3Å; V38-V42 WeakPolarHBondContact O-CB 3.37Å; V38-V42 VanDerWaalsContact O-CG2 3.31Å; V38-V42 WeakPolarHBondContact O-CG2 3.42Å; V38-V42 PolarHBondContact O-N 3Å; V38-F73 HydrophobicContact CG2-CD1 3.75Å; V38-F73 HydrophobicContact CG2-CE1 4.34Å; V38-F73 HydrophobicContact CG2-CG 4.44Å; V38-N76 WeakPolarHBondContact CG2-ND2 3.28Å; V38-F79 HydrophobicContact CG1-CB 4.2Å; V38-F79 HydrophobicContact CG1-CD2 4.14Å; V38-F79 HydrophobicContact CG2-CB 4.21Å; V38-F79 HydrophobicContact CG2-CD2 4.36Å; V38-D82 HydrophobicContact CG1-CB 4.43Å; V38-D82 WeakPolarHBondContact CG1-OD2 3.19Å |
| 39 | T | 80.5 | Confident | 83.2 | Confident | 104 Ų | 104 | 35.9 Ų | 35.9 | 64% | 0.638 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -63.1 | -30.9 | -175.6 | -40 | 0 | 0 | 0 | 0 | 112.8 | G37 K43 | G37-T39 PolarHBondContact O-N 3.46Å; T39-K43 WeakPolarHBondContact O-CG 3.48Å; T39-K43 PolarHBondContact O-N 2.89Å |
| 40 | A | 80.9 | Confident | 83 | Confident | 30 Ų | 30 | 36.2 Ų | 36.2 | 25% | 0.248 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -83.7 | -36.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G36 G37 V38 V42 K43 L44 | G36-A40 WeakPolarHBondContact O-CB 3.37Å; G37-A40 PolarHBondContact O-N 3.35Å; V38-A40 PolarHBondContact O-N 3.16Å; A40-V42 VanDerWaalsContact C-N 3.34Å; A40-K43 PolarHBondContact O-N 2.77Å; A40-L44 WeakPolarHBondContact O-CB 3.46Å; A40-L44 WeakPolarHBondContact O-CD1 3.24Å; A40-L44 VanDerWaalsContact O-CG 3.27Å; A40-L44 WeakPolarHBondContact O-CG 3.4Å; A40-L44 PolarHBondContact O-N 2.91Å |
| 41 | S | 83.6 | Confident | 83 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.007 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.2 | -38 | 177.2 | 70.4 | 0 | 0 | 0 | 0 | 111.6 | G37 V38 L44 F45 F73 | G37-S41 WeakPolarHBondContact O-CB 3.35Å; G37-S41 PolarHBondContact O-N 2.96Å; G37-S41 PolarHBondContact O-OG 2.98Å; V38-S41 PolarHBondContact O-N 3.01Å; V38-S41 PolarHBondContact O-OG 3.29Å; V38-S41 VanDerWaalsContact O-OG 3.05Å; S41-L44 PolarHBondContact O-N 2.93Å; S41-F45 WeakPolarHBondContact O-CB 3.46Å; S41-F45 PolarHBondContact O-N 3.25Å; S41-F73 VanDerWaalsContact CB-CE2 3.44Å; S41-F73 WeakPolarHBondContact OG-CE2 2.95Å; S41-F73 WeakPolarHBondContact OG-CZ 3.18Å |
| 42 | V | 84.5 | Confident | 83 | Confident | 6 Ų | 6 | 33.1 Ų | 33.1 | 4% | 0.036 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62 | -46.7 | 170.7 | 169.7 | 0 | 0 | 0 | 0 | 111.2 | V38 A40 L44 F45 T46 F79 D82 S86 | V38-V42 HydrophobicContact CG1-CG2 4.3Å; V38-V42 WeakPolarHBondContact O-CB 3.37Å; V38-V42 VanDerWaalsContact O-CG2 3.31Å; V38-V42 WeakPolarHBondContact O-CG2 3.42Å; V38-V42 PolarHBondContact O-N 3Å; A40-V42 VanDerWaalsContact C-N 3.34Å; V42-L44 PolarHBondContact O-N 3.05Å; V42-F45 PolarHBondContact O-N 2.86Å; V42-T46 WeakPolarHBondContact O-CB 3.45Å; V42-T46 PolarHBondContact O-N 3.39Å; V42-T46 PolarHBondContact O-OG1 3.32Å; V42-F79 HydrophobicContact CG2-CD2 4.03Å; V42-F79 HydrophobicContact CG2-CE2 4.04Å; V42-D82 HydrophobicContact CG1-CB 4.39Å; V42-D82 WeakPolarHBondContact CG1-O 3.34Å; V42-D82 HydrophobicContact CG2-CB 3.89Å; V42-S86 WeakPolarHBondContact CG1-OG 3.34Å |
| 43 | K | 83.2 | Confident | 83.1 | Confident | 58 Ų | 58 | 29 Ų | 29 | 25% | 0.252 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -61.8 | -41.9 | 174.6 | -78.8 | 179.7 | 173.6 | -166.7 | 0 | 113.5 | F7 T39 A40 T46 D47 | F7-K43 HydrophobicContact CD1-CG 4.09Å; F7-K43 HydrophobicContact CE1-CD 4.43Å; F7-K43 HydrophobicContact CE1-CG 3.6Å; F7-K43 VanDerWaalsContact CE2-CE 3.44Å; F7-K43 HydrophobicContact CZ-CD 4.37Å; F7-K43 HydrophobicContact CZ-CG 3.87Å; T39-K43 WeakPolarHBondContact O-CG 3.48Å; T39-K43 PolarHBondContact O-N 2.89Å; A40-K43 PolarHBondContact O-N 2.77Å; K43-T46 WeakPolarHBondContact O-CB 3.24Å; K43-T46 PolarHBondContact O-N 3.39Å; K43-D47 PolarHBondContact O-N 3.48Å |
| 44 | L | 84.5 | Confident | 83 | Confident | 19 Ų | 19 | 33 Ų | 33 | 10% | 0.099 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.1 | -40.7 | 176.4 | -76.2 | 163.6 | 0 | 0 | 0 | 111.5 | F13 F29 K32 A40 S41 V42 D47 L48 | F13-L44 HydrophobicContact CD1-CD2 3.57Å; F13-L44 HydrophobicContact CE1-CD2 3.88Å; F29-L44 HydrophobicContact CE2-CB 3.95Å; F29-L44 WeakPolarHBondContact CE2-O 3.25Å; F29-L44 HydrophobicContact CZ-CB 3.89Å; F29-L44 WeakPolarHBondContact CZ-O 3.29Å; K32-L44 HydrophobicContact CB-CD1 4.01Å; K32-L44 HydrophobicContact CG-CD1 3.73Å; K32-L44 HydrophobicContact CG-CD2 4.39Å; A40-L44 WeakPolarHBondContact O-CB 3.46Å; A40-L44 WeakPolarHBondContact O-CD1 3.24Å; A40-L44 VanDerWaalsContact O-CG 3.27Å; A40-L44 WeakPolarHBondContact O-CG 3.4Å; A40-L44 PolarHBondContact O-N 2.91Å; S41-L44 PolarHBondContact O-N 2.93Å; V42-L44 PolarHBondContact O-N 3.05Å; L44-D47 PolarHBondContact O-N 3.01Å; L44-L48 WeakPolarHBondContact O-CB 3.35Å; L44-L48 PolarHBondContact O-N 3.44Å |
| 45 | F | 87.9 | Confident | 83 | Confident | 5 Ų | 5 | 28.4 Ų | 28.4 | 2% | 0.022 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.6 | -41.9 | 174.1 | -168.9 | -100.2 | 0 | 0 | 0 | 111.3 | S41 V42 D47 L48 V49 L62 L65 V66 L69 L83 L87 L113 | S41-F45 WeakPolarHBondContact O-CB 3.46Å; S41-F45 PolarHBondContact O-N 3.25Å; V42-F45 PolarHBondContact O-N 2.86Å; F45-D47 PolarHBondContact O-N 3.42Å; F45-L48 WeakPolarHBondContact O-CB 3.22Å; F45-L48 PolarHBondContact O-N 2.86Å; F45-L48 VanDerWaalsContact O-N 3.15Å; F45-V49 HydrophobicContact CD1-CG2 3.57Å; F45-V49 HydrophobicContact CE1-CG2 3.34Å; F45-V49 HydrophobicContact CE2-CG2 4.46Å; F45-V49 HydrophobicContact CG-CG2 4.25Å; F45-V49 HydrophobicContact CZ-CG2 3.85Å; F45-V49 WeakPolarHBondContact O-CB 3.28Å; F45-V49 WeakPolarHBondContact O-CG2 3.41Å; F45-V49 PolarHBondContact O-N 3.49Å; F45-L62 HydrophobicContact CE2-CD2 3.89Å; F45-L62 HydrophobicContact CZ-CD2 4.29Å; F45-L65 HydrophobicContact CD2-CD2 4.39Å; F45-L65 HydrophobicContact CE2-CD2 4.35Å; F45-V66 HydrophobicContact CE2-CG2 4.03Å; F45-V66 HydrophobicContact CZ-CG2 3.94Å; F45-L69 HydrophobicContact CD2-CD1 3.35Å; F45-L69 HydrophobicContact CE2-CD1 3.72Å; F45-L69 HydrophobicContact CG-CD1 4.25Å; F45-L83 HydrophobicContact CB-CD1 4.49Å; F45-L83 HydrophobicContact CD1-CD1 3.35Å; F45-L83 HydrophobicContact CE1-CD1 3.71Å; F45-L83 HydrophobicContact CG-CD1 4.07Å; F45-L87 HydrophobicContact CE1-CD2 4.44Å; F45-L113 HydrophobicContact CZ-CD2 4.32Å |
| 46 | T | 85.8 | Confident | 82.8 | Confident | 3 Ų | 3 | 26.6 Ų | 26.6 | 2% | 0.018 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.3 | -46.2 | 175.6 | -53.3 | 0 | 0 | 0 | 0 | 111.4 | L4 V42 K43 L48 V49 L50 S86 I90 | L4-T46 HydrophobicContact CD2-CG2 3.67Å; V42-T46 WeakPolarHBondContact O-CB 3.45Å; V42-T46 PolarHBondContact O-N 3.39Å; V42-T46 PolarHBondContact O-OG1 3.32Å; K43-T46 WeakPolarHBondContact O-CB 3.24Å; K43-T46 PolarHBondContact O-N 3.39Å; T46-L48 PolarHBondContact O-N 2.88Å; T46-V49 PolarHBondContact O-N 3.21Å; T46-L50 WeakPolarHBondContact O-CB 3.48Å; T46-L50 PolarHBondContact O-N 3.41Å; T46-S86 WeakPolarHBondContact OG1-CB 3.36Å; T46-I90 HydrophobicContact CG2-CD1 3.98Å |
| 47 | D | 84.1 | Confident | 83.1 | Confident | 5 Ų | 5 | 26 Ų | 26 | 3% | 0.027 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.4 | -38.7 | 175.9 | -170.2 | 52.1 | 0 | 0 | 0 | 112.7 | C8 T14 K43 L44 F45 K51 | C8-D47 HydrophobicContact CB-CB 3.75Å; C8-D47 VanDerWaalsContact SG-CA 3.55Å; C8-D47 PolarHBondContact SG-N 2.84Å; T14-D47 WeakPolarHBondContact CB-OD2 3.22Å; T14-D47 PolarHBondContact OG1-OD2 3.2Å; K43-D47 PolarHBondContact O-N 3.48Å; L44-D47 PolarHBondContact O-N 3.01Å; F45-D47 PolarHBondContact O-N 3.42Å; D47-K51 VanDerWaalsContact CG-NZ 3.27Å; D47-K51 WeakPolarHBondContact O-CB 3.43Å; D47-K51 WeakPolarHBondContact O-CD 3.33Å; D47-K51 VanDerWaalsContact O-CG 3.28Å; D47-K51 WeakPolarHBondContact O-CG 3.37Å; D47-K51 PolarHBondContact O-N 3.48Å; D47-K51 WeakPolarHBondContact OD1-CE 3.43Å; D47-K51 IonicContact OD1-NZ 3.63Å; D47-K51 PolarHBondContact OD1-NZ 3.4Å; D47-K51 IonicContact OD2-NZ 2.69Å; D47-K51 PolarHBondContact OD2-NZ 3.07Å |
| 48 | L | 87 | Confident | 83.2 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.2 | -46.3 | 176.1 | -177.9 | 66.3 | 0 | 0 | 0 | 111.7 | T14 L18 W21 F29 L44 F45 T46 K51 L52 L62 L65 | T14-L48 HydrophobicContact CG2-CB 3.71Å; T14-L48 HydrophobicContact CG2-CD1 3.69Å; T14-L48 HydrophobicContact CG2-CG 4.3Å; L18-L48 HydrophobicContact CD1-CD1 4.31Å; L18-L48 HydrophobicContact CD2-CD1 3.82Å; L18-L48 HydrophobicContact CG-CD1 4.09Å; W21-L48 HydrophobicContact CH2-CD2 4.02Å; W21-L48 HydrophobicContact CZ3-CD1 4.22Å; W21-L48 HydrophobicContact CZ3-CD2 4.45Å; F29-L48 HydrophobicContact CE1-CD2 4.18Å; F29-L48 HydrophobicContact CE2-CB 4.05Å; F29-L48 HydrophobicContact CE2-CD2 4.14Å; F29-L48 HydrophobicContact CZ-CB 4.06Å; F29-L48 HydrophobicContact CZ-CD2 3.83Å; L44-L48 WeakPolarHBondContact O-CB 3.35Å; L44-L48 PolarHBondContact O-N 3.44Å; F45-L48 WeakPolarHBondContact O-CB 3.22Å; F45-L48 PolarHBondContact O-N 2.86Å; F45-L48 VanDerWaalsContact O-N 3.15Å; T46-L48 PolarHBondContact O-N 2.88Å; L48-K51 PolarHBondContact O-N 3.45Å; L48-L52 HydrophobicContact CD1-CD1 4.23Å; L48-L52 HydrophobicContact CD1-CG 4.27Å; L48-L52 HydrophobicContact CG-CD1 3.94Å; L48-L52 HydrophobicContact CG-CG 4.36Å; L48-L52 VanDerWaalsContact O-CG 3.29Å; L48-L52 WeakPolarHBondContact O-CG 3.38Å; L48-L52 PolarHBondContact O-N 2.87Å; L48-L62 HydrophobicContact CD2-CD2 4.05Å; L48-L65 HydrophobicContact CD2-CD2 3.24Å |
| 49 | V | 86.3 | Confident | 83.2 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.5 | -49.9 | 176.6 | 168.2 | 0 | 0 | 0 | 0 | 109.9 | F45 T46 K51 L52 I53 L87 I90 L109 | F45-V49 HydrophobicContact CD1-CG2 3.57Å; F45-V49 HydrophobicContact CE1-CG2 3.34Å; F45-V49 HydrophobicContact CE2-CG2 4.46Å; F45-V49 HydrophobicContact CG-CG2 4.25Å; F45-V49 HydrophobicContact CZ-CG2 3.85Å; F45-V49 WeakPolarHBondContact O-CB 3.28Å; F45-V49 WeakPolarHBondContact O-CG2 3.41Å; F45-V49 PolarHBondContact O-N 3.49Å; T46-V49 PolarHBondContact O-N 3.21Å; V49-K51 PolarHBondContact O-N 2.99Å; V49-L52 PolarHBondContact O-N 3.43Å; V49-I53 HydrophobicContact CG1-CD1 3.54Å; V49-I53 HydrophobicContact CG1-CG1 4.45Å; V49-I53 WeakPolarHBondContact O-CB 3.46Å; V49-I53 WeakPolarHBondContact O-CD1 3.26Å; V49-I53 VanDerWaalsContact O-CG1 3.22Å; V49-I53 WeakPolarHBondContact O-CG1 3.36Å; V49-I53 PolarHBondContact O-N 3.47Å; V49-L87 HydrophobicContact CG1-CD2 4.3Å; V49-L87 HydrophobicContact CG2-CD2 4.45Å; V49-I90 HydrophobicContact CB-CD1 4.19Å; V49-I90 HydrophobicContact CG1-CD1 3.58Å; V49-L109 HydrophobicContact CB-CD1 4.29Å; V49-L109 HydrophobicContact CG1-CD1 3.8Å; V49-L109 HydrophobicContact CG1-CD2 3.87Å; V49-L109 HydrophobicContact CG2-CD1 4.15Å; V49-L109 HydrophobicContact CG2-CD2 4.25Å |
| 50 | L | 83.8 | Confident | 83.3 | Confident | 8 Ų | 8 | 32.6 Ų | 32.6 | 4% | 0.042 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55.8 | -40.2 | 178.7 | -144.6 | 76.2 | 0 | 0 | 0 | 112 | M1 V5 T46 N54 I90 | M1-L50 HydrophobicContact CE-CD1 3.83Å; M1-L50 HydrophobicContact CE-CD2 4.3Å; M1-L50 HydrophobicContact CE-CG 3.94Å; M1-L50 HydrophobicContact SD-CD1 4.05Å; V5-L50 HydrophobicContact CG2-CD2 3.65Å; T46-L50 WeakPolarHBondContact O-CB 3.48Å; T46-L50 PolarHBondContact O-N 3.41Å; L50-N54 WeakPolarHBondContact O-CB 3.3Å; L50-N54 VanDerWaalsContact O-CG 3.23Å; L50-N54 PolarHBondContact O-N 3.08Å; L50-N54 PolarHBondContact O-ND2 3.37Å; L50-I90 HydrophobicContact CD1-CD1 4.14Å; L50-I90 HydrophobicContact CD1-CG1 4.23Å |
| 51 | K | 82.2 | Confident | 83.5 | Confident | 14 Ų | 14 | 32.4 Ų | 32.4 | 6% | 0.061 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -75.9 | -39.2 | -179 | -75.1 | 173.2 | 179.4 | 163.1 | 0 | 113.7 | P11 T14 T15 L18 D47 L48 V49 I53 N54 G55 E56 | P11-K51 PolarHBondContact O-NZ 2.84Å; T14-K51 HydrophobicContact CG2-CD 4.5Å; T15-K51 WeakPolarHBondContact OG1-CD 3.26Å; T15-K51 WeakPolarHBondContact OG1-CE 3.26Å; T15-K51 PolarHBondContact OG1-NZ 3.44Å; T15-K51 VanDerWaalsContact OG1-NZ 3.17Å; L18-K51 HydrophobicContact CD1-CB 4.01Å; L18-K51 HydrophobicContact CD1-CD 4.41Å; D47-K51 VanDerWaalsContact CG-NZ 3.27Å; D47-K51 WeakPolarHBondContact O-CB 3.43Å; D47-K51 WeakPolarHBondContact O-CD 3.33Å; D47-K51 VanDerWaalsContact O-CG 3.28Å; D47-K51 WeakPolarHBondContact O-CG 3.37Å; D47-K51 PolarHBondContact O-N 3.48Å; D47-K51 WeakPolarHBondContact OD1-CE 3.43Å; D47-K51 IonicContact OD1-NZ 3.63Å; D47-K51 PolarHBondContact OD1-NZ 3.4Å; D47-K51 IonicContact OD2-NZ 2.69Å; D47-K51 PolarHBondContact OD2-NZ 3.07Å; L48-K51 PolarHBondContact O-N 3.45Å; V49-K51 PolarHBondContact O-N 2.99Å; K51-I53 VanDerWaalsContact C-N 3.32Å; K51-N54 PolarHBondContact O-N 2.91Å; K51-G55 PolarHBondContact O-N 2.75Å; K51-E56 HydrophobicContact CB-CB 4.14Å; K51-E56 HydrophobicContact CB-CG 4.49Å; K51-E56 PolarHBondContact O-N 2.67Å |
| 52 | L | 85.5 | Confident | 83.4 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.9 | -36.7 | 174.1 | -69.4 | 175.6 | 0 | 0 | 0 | 111.7 | L18 L48 V49 G55 K58 I59 I61 L62 | L18-L52 HydrophobicContact CD2-CD2 4.1Å; L48-L52 HydrophobicContact CD1-CD1 4.23Å; L48-L52 HydrophobicContact CD1-CG 4.27Å; L48-L52 HydrophobicContact CG-CD1 3.94Å; L48-L52 HydrophobicContact CG-CG 4.36Å; L48-L52 VanDerWaalsContact O-CG 3.29Å; L48-L52 WeakPolarHBondContact O-CG 3.38Å; L48-L52 PolarHBondContact O-N 2.87Å; V49-L52 PolarHBondContact O-N 3.43Å; L52-G55 PolarHBondContact O-N 2.97Å; L52-K58 WeakPolarHBondContact CD2-O 3.49Å; L52-I59 HydrophobicContact CB-CG1 4.15Å; L52-I61 HydrophobicContact CD2-CD1 4.42Å; L52-L62 HydrophobicContact CD1-CD1 3.83Å; L52-L62 HydrophobicContact CD1-CD2 3.69Å; L52-L62 HydrophobicContact CD1-CG 3.62Å |
| 53 | I | 84.4 | Confident | 83.4 | Confident | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.1 | -46.5 | 174.6 | -68 | 166.8 | 0 | 0 | 0 | 111 | V49 K51 G55 I90 I94 V102 R105 F106 L109 | V49-I53 HydrophobicContact CG1-CD1 3.54Å; V49-I53 HydrophobicContact CG1-CG1 4.45Å; V49-I53 WeakPolarHBondContact O-CB 3.46Å; V49-I53 WeakPolarHBondContact O-CD1 3.26Å; V49-I53 VanDerWaalsContact O-CG1 3.22Å; V49-I53 WeakPolarHBondContact O-CG1 3.36Å; V49-I53 PolarHBondContact O-N 3.47Å; K51-I53 VanDerWaalsContact C-N 3.32Å; I53-G55 VanDerWaalsContact C-N 3.28Å; I53-G55 PolarHBondContact O-N 3.48Å; I53-I90 HydrophobicContact CD1-CG2 3.99Å; I53-I94 HydrophobicContact CD1-CD1 3.99Å; I53-I94 HydrophobicContact CG2-CD1 4.19Å; I53-V102 HydrophobicContact CG2-CB 4.24Å; I53-V102 HydrophobicContact CG2-CG1 3.63Å; I53-V102 HydrophobicContact CG2-CG2 4.31Å; I53-R105 WeakPolarHBondContact O-CD 3.41Å; I53-R105 PolarHBondContact O-NH1 3.42Å; I53-F106 HydrophobicContact CD1-CB 4.31Å; I53-F106 HydrophobicContact CD1-CD2 3.71Å; I53-F106 HydrophobicContact CD1-CG 4.46Å; I53-L109 HydrophobicContact CD1-CD1 4.31Å; I53-L109 HydrophobicContact CG1-CD1 4.14Å |
| 54 | N | 80.7 | Confident | 83.3 | Confident | 84 Ų | 84 | 40.3 Ų | 40.3 | 45% | 0.449 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65.5 | -30.2 | 175.7 | -72.7 | -19.2 | 0 | 0 | 0 | 112.7 | L50 K51 R105 | L50-N54 WeakPolarHBondContact O-CB 3.3Å; L50-N54 VanDerWaalsContact O-CG 3.23Å; L50-N54 PolarHBondContact O-N 3.08Å; L50-N54 PolarHBondContact O-ND2 3.37Å; K51-N54 PolarHBondContact O-N 2.91Å; N54-R105 PolarHBondContact O-NH1 3.44Å |
| 55 | G | 80 | Confident | 83.3 | Confident | 37 Ų | 37 | 39.4 Ų | 39.4 | 38% | 0.381 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 115 | 18.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | K51 L52 I53 G57 R105 | K51-G55 PolarHBondContact O-N 2.75Å; L52-G55 PolarHBondContact O-N 2.97Å; I53-G55 VanDerWaalsContact C-N 3.28Å; I53-G55 PolarHBondContact O-N 3.48Å; G55-G57 PolarHBondContact O-N 3.42Å; G55-R105 VanDerWaalsContact CA-NH1 3.26Å |
| 56 | E | 78.5 | Confident | 83.1 | Confident | 95 Ų | 95 | 39.2 Ų | 39.2 | 44% | 0.444 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -71.6 | 0 | 173.8 | -68 | 179.6 | -141.1 | 0 | 0 | 113.4 | T15 L18 K51 | T15-E56 PolarHBondContact OG1-OE2 3.2Å; L18-E56 HydrophobicContact CD1-CB 4.03Å; K51-E56 HydrophobicContact CB-CB 4.14Å; K51-E56 HydrophobicContact CB-CG 4.49Å; K51-E56 PolarHBondContact O-N 2.67Å |
| 57 | G | 79.7 | Confident | 83 | Confident | 29 Ų | 29 | 41.5 Ų | 41.5 | 30% | 0.299 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -170 | 177.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | G55 | G55-G57 PolarHBondContact O-N 3.42Š|
| 58 | K | 82.4 | Confident | 82.9 | Confident | 156 Ų | 156 | 44.3 Ų | 44.3 | 68% | 0.678 | 24% | 0.237 | S | C | * | . | trans | -86.5 | 131.7 | 176.8 | -65.6 | -176 | -179.1 | 179.7 | 0 | 111.2 | L52 D60 I61 | L52-K58 WeakPolarHBondContact CD2-O 3.49Å; K58-D60 PolarHBondContact O-N 3.2Å; K58-I61 VanDerWaalsContact O-CB 3.25Å; K58-I61 WeakPolarHBondContact O-CB 3.34Å; K58-I61 WeakPolarHBondContact O-CD1 3.33Å; K58-I61 VanDerWaalsContact O-CG1 3.28Å; K58-I61 WeakPolarHBondContact O-CG1 3.45Å; K58-I61 PolarHBondContact O-N 2.79Å | ||
| 59 | I | 82.6 | Confident | 82.7 | Confident | 19 Ų | 19 | 44.5 Ų | 44.5 | 10% | 0.097 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -25.8 | 179.6 | -69.4 | 160.8 | 0 | 0 | 0 | 112.4 | L52 I61 L62 R105 I112 | L52-I59 HydrophobicContact CB-CG1 4.15Å; I59-I61 PolarHBondContact O-N 2.97Å; I59-L62 HydrophobicContact CG2-CD1 4.49Å; I59-L62 WeakPolarHBondContact O-CB 3.38Å; I59-L62 PolarHBondContact O-N 2.94Å; I59-R105 HydrophobicContact CD1-CB 3.53Å; I59-R105 HydrophobicContact CD1-CG 3.53Å; I59-I112 HydrophobicContact CG2-CD1 3.74Å |
| 60 | D | 82.6 | Confident | 82.6 | Confident | 111 Ų | 111 | 46 Ų | 46 | 59% | 0.594 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -21.9 | 175.2 | -39.9 | -55.2 | 0 | 0 | 0 | 113.5 | K58 L62 V63 | K58-D60 PolarHBondContact O-N 3.2Å; D60-L62 PolarHBondContact O-N 3.37Å; D60-V63 WeakPolarHBondContact O-CB 3.44Å; D60-V63 PolarHBondContact O-N 3.13Å |
| 61 | I | 83.9 | Confident | 82.5 | Confident | 27 Ų | 27 | 54.6 Ų | 54.6 | 14% | 0.138 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -51.8 | -39.6 | 169.9 | -76.2 | 172.7 | 0 | 0 | 0 | 111.8 | L18 W21 L52 K58 I59 V63 K64 L65 | L18-I61 HydrophobicContact CD2-CD1 4.06Å; W21-I61 HydrophobicContact CD2-CD1 4.2Å; W21-I61 HydrophobicContact CD2-CG2 4.09Å; W21-I61 HydrophobicContact CG-CD1 3.98Å; W21-I61 HydrophobicContact CG-CG1 4.37Å; W21-I61 HydrophobicContact CH2-CG2 4.05Å; W21-I61 HydrophobicContact CZ2-CG2 3.32Å; L52-I61 HydrophobicContact CD2-CD1 4.42Å; K58-I61 VanDerWaalsContact O-CB 3.25Å; K58-I61 WeakPolarHBondContact O-CB 3.34Å; K58-I61 WeakPolarHBondContact O-CD1 3.33Å; K58-I61 VanDerWaalsContact O-CG1 3.28Å; K58-I61 WeakPolarHBondContact O-CG1 3.45Å; K58-I61 PolarHBondContact O-N 2.79Å; I59-I61 PolarHBondContact O-N 2.97Å; I61-V63 VanDerWaalsContact C-N 3.32Å; I61-V63 PolarHBondContact O-N 3.22Å; I61-K64 PolarHBondContact O-N 3.41Å; I61-L65 PolarHBondContact O-N 2.93Å |
| 62 | L | 82.8 | Confident | 82.4 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69 | -29.4 | -174.7 | -63.2 | -178.2 | 0 | 0 | 0 | 112.9 | F45 L48 L52 I59 D60 K64 L65 V66 L109 I112 | F45-L62 HydrophobicContact CE2-CD2 3.89Å; F45-L62 HydrophobicContact CZ-CD2 4.29Å; L48-L62 HydrophobicContact CD2-CD2 4.05Å; L52-L62 HydrophobicContact CD1-CD1 3.83Å; L52-L62 HydrophobicContact CD1-CD2 3.69Å; L52-L62 HydrophobicContact CD1-CG 3.62Å; I59-L62 HydrophobicContact CG2-CD1 4.49Å; I59-L62 WeakPolarHBondContact O-CB 3.38Å; I59-L62 PolarHBondContact O-N 2.94Å; D60-L62 PolarHBondContact O-N 3.37Å; L62-K64 PolarHBondContact O-N 3.32Å; L62-K64 VanDerWaalsContact O-N 3.1Å; L62-L65 HydrophobicContact CD2-CD2 3.99Å; L62-L65 PolarHBondContact O-N 3.18Å; L62-V66 HydrophobicContact CB-CG2 4.15Å; L62-V66 WeakPolarHBondContact O-CG2 3.32Å; L62-V66 PolarHBondContact O-N 2.94Å; L62-L109 HydrophobicContact CD1-CD1 3.38Å; L62-L109 HydrophobicContact CD1-CG 3.55Å; L62-I112 HydrophobicContact CB-CD1 4.33Å; L62-I112 HydrophobicContact CB-CG2 4.22Å |
| 63 | V | 82.8 | Confident | 82.3 | Confident | 85 Ų | 85 | 57.7 Ų | 57.7 | 52% | 0.515 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.2 | -28.3 | 175.8 | -174.3 | 0 | 0 | 0 | 0 | 111.8 | D60 I61 P67 I112 | D60-V63 WeakPolarHBondContact O-CB 3.44Å; D60-V63 PolarHBondContact O-N 3.13Å; I61-V63 VanDerWaalsContact C-N 3.32Å; I61-V63 PolarHBondContact O-N 3.22Å; V63-P67 WeakPolarHBondContact O-CD 3.2Å; V63-P67 WeakPolarHBondContact O-CG 3.46Å; V63-I112 HydrophobicContact CG2-CD1 3.8Å; V63-I112 HydrophobicContact CG2-CG1 4.11Å; V63-I112 HydrophobicContact CG2-CG2 4.44Å |
| 64 | K | 82 | Confident | 81.5 | Confident | 145 Ų | 145 | 59.9 Ų | 59.9 | 63% | 0.63 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -101.5 | -10 | 176.2 | -70.4 | -177.7 | -179 | 174.2 | 0 | 114.2 | R26 I61 L62 | R26-K64 PolarHBondContact NH2-O 3.12Å; I61-K64 PolarHBondContact O-N 3.41Å; L62-K64 PolarHBondContact O-N 3.32Å; L62-K64 VanDerWaalsContact O-N 3.1Å |
| 65 | L | 84.3 | Confident | 81.1 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -101.7 | -44.2 | -176.1 | -174.7 | 71.4 | 0 | 0 | 0 | 112.5 | W21 F29 L30 F45 L48 I61 L62 E68 L69 | W21-L65 HydrophobicContact CH2-CD1 4.22Å; W21-L65 HydrophobicContact CH2-CD2 3.98Å; W21-L65 HydrophobicContact CZ2-CD1 4.13Å; W21-L65 HydrophobicContact CZ2-CD2 4.19Å; F29-L65 HydrophobicContact CD1-CD1 3.96Å; F29-L65 HydrophobicContact CD1-CD2 4.2Å; F29-L65 HydrophobicContact CE1-CD1 4.28Å; F29-L65 HydrophobicContact CE1-CD2 3.87Å; L30-L65 HydrophobicContact CD1-CD1 4.41Å; L30-L65 HydrophobicContact CD2-CD1 3.77Å; L30-L65 HydrophobicContact CG-CD1 3.98Å; F45-L65 HydrophobicContact CD2-CD2 4.39Å; F45-L65 HydrophobicContact CE2-CD2 4.35Å; L48-L65 HydrophobicContact CD2-CD2 3.24Å; I61-L65 PolarHBondContact O-N 2.93Å; L62-L65 HydrophobicContact CD2-CD2 3.99Å; L62-L65 PolarHBondContact O-N 3.18Å; L65-E68 PolarHBondContact O-N 3.49Å; L65-E68 VanDerWaalsContact O-N 3.08Å; L65-L69 HydrophobicContact CD2-CD1 4.2Å; L65-L69 HydrophobicContact CG-CD1 3.91Å; L65-L69 HydrophobicContact CG-CG 4.33Å; L65-L69 PolarHBondContact O-N 2.96Å |
| 66 | V | 84.1 | Confident | 80.8 | Confident | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.012 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.7 | -47.1 | -179.5 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | F45 L62 E68 L69 F70 I112 L113 H116 | F45-V66 HydrophobicContact CE2-CG2 4.03Å; F45-V66 HydrophobicContact CZ-CG2 3.94Å; L62-V66 HydrophobicContact CB-CG2 4.15Å; L62-V66 WeakPolarHBondContact O-CG2 3.32Å; L62-V66 PolarHBondContact O-N 2.94Å; V66-E68 PolarHBondContact O-N 3.48Å; V66-L69 PolarHBondContact O-N 2.91Å; V66-F70 HydrophobicContact CG1-CD2 3.75Å; V66-F70 HydrophobicContact CG1-CE2 3.91Å; V66-F70 WeakPolarHBondContact O-CD2 3.21Å; V66-F70 PolarHBondContact O-N 3Å; V66-I112 HydrophobicContact CG2-CG2 4.41Å; V66-L113 HydrophobicContact CG1-CD2 3.76Å; V66-L113 HydrophobicContact CG2-CD2 4.01Å; V66-L113 HydrophobicContact CG2-CG 4.49Å; V66-H116 HydrophobicContact CG1-CB 4.01Å; V66-H116 VanDerWaalsContact CG1-CD2 3.46Å; V66-H116 WeakPolarHBondContact CG1-CD2 3.29Å |
| 67 | P | 82.6 | Confident | 80.4 | Confident | 50 Ų | 50 | 67.1 Ų | 67.1 | 33% | 0.325 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.5 | -30.9 | 175.1 | -23 | 32.4 | 0 | 0 | 0 | 114 | V63 K71 | V63-P67 WeakPolarHBondContact O-CD 3.2Å; V63-P67 WeakPolarHBondContact O-CG 3.46Å; P67-K71 WeakPolarHBondContact O-CB 3.24Å; P67-K71 PolarHBondContact O-N 3.23Å |
| 68 | E | 83.2 | Confident | 80.4 | Confident | 64 Ų | 64 | 68.1 Ų | 68.1 | 30% | 0.299 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -80 | -35 | 177.9 | -78.9 | 177.2 | 169.6 | 0 | 0 | 112.6 | R26 L30 L65 V66 K71 I72 | R26-E68 IonicContact CZ-OE1 3.99Å; R26-E68 IonicContact CZ-OE2 2.93Å; R26-E68 IonicContact NE-OE1 2.83Å; R26-E68 IonicContact NE-OE2 2.72Å; R26-E68 PolarHBondContact NE-OE2 3.32Å; R26-E68 IonicContact NH1-OE1 3.35Å; R26-E68 IonicContact NH2-OE1 3.93Å; R26-E68 PolarHBondContact NH2-OE1 2.92Å; R26-E68 IonicContact NH2-OE2 3.08Å; R26-E68 PolarHBondContact NH2-OE2 3.46Å; L30-E68 HydrophobicContact CD1-CB 4.48Å; L30-E68 WeakPolarHBondContact CD1-OE2 3.33Å; L30-E68 HydrophobicContact CD2-CB 4.12Å; L65-E68 PolarHBondContact O-N 3.49Å; L65-E68 VanDerWaalsContact O-N 3.08Å; V66-E68 PolarHBondContact O-N 3.48Å; E68-K71 PolarHBondContact O-N 3.4Å; E68-I72 WeakPolarHBondContact O-CD1 3.47Å; E68-I72 WeakPolarHBondContact O-CG1 3.3Å; E68-I72 PolarHBondContact O-N 2.88Å |
| 69 | L | 82.7 | Confident | 80.6 | Confident | 5 Ų | 5 | 60.8 Ų | 60.8 | 3% | 0.026 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.5 | -45.9 | 172.5 | -74.8 | 169 | 0 | 0 | 0 | 111.2 | L30 C33 F45 L65 V66 K71 I72 F73 F79 | L30-L69 HydrophobicContact CD2-CD2 4.29Å; L30-L69 HydrophobicContact CD2-CG 4.45Å; C33-L69 HydrophobicContact CB-CD2 4.29Å; F45-L69 HydrophobicContact CD2-CD1 3.35Å; F45-L69 HydrophobicContact CE2-CD1 3.72Å; F45-L69 HydrophobicContact CG-CD1 4.25Å; L65-L69 HydrophobicContact CD2-CD1 4.2Å; L65-L69 HydrophobicContact CG-CD1 3.91Å; L65-L69 HydrophobicContact CG-CG 4.33Å; L65-L69 PolarHBondContact O-N 2.96Å; V66-L69 PolarHBondContact O-N 2.91Å; L69-K71 VanDerWaalsContact C-N 3.29Å; L69-K71 PolarHBondContact O-N 2.82Å; L69-I72 PolarHBondContact O-N 2.98Å; L69-F73 HydrophobicContact CD2-CD2 4.28Å; L69-F73 HydrophobicContact CD2-CE2 4.07Å; L69-F73 PolarHBondContact O-N 3.07Å; L69-F79 HydrophobicContact CB-CZ 4.26Å |
| 70 | F | 84.2 | Confident | 80.6 | Confident | 32 Ų | 32 | 62.5 Ų | 62.5 | 14% | 0.14 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.7 | -32.8 | 172.8 | -84.1 | -88.3 | 0 | 0 | 0 | 112.4 | V66 I72 G74 F79 E80 L83 L113 H116 V117 | V66-F70 HydrophobicContact CG1-CD2 3.75Å; V66-F70 HydrophobicContact CG1-CE2 3.91Å; V66-F70 WeakPolarHBondContact O-CD2 3.21Å; V66-F70 PolarHBondContact O-N 3Å; F70-I72 VanDerWaalsContact C-N 3.28Å; F70-I72 PolarHBondContact O-N 3.16Å; F70-G74 VanDerWaalsContact O-CA 3.23Å; F70-G74 WeakPolarHBondContact O-CA 3.42Å; F70-G74 PolarHBondContact O-N 3.48Å; F70-F79 HydrophobicContact CD1-CE1 4.37Å; F70-F79 HydrophobicContact CD2-CE1 4.39Å; F70-F79 HydrophobicContact CE1-CD1 4.46Å; F70-F79 HydrophobicContact CE1-CE1 4.22Å; F70-F79 HydrophobicContact CE2-CE1 4.25Å; F70-F79 HydrophobicContact CG-CE1 4.44Å; F70-F79 HydrophobicContact CZ-CE1 4.15Å; F70-E80 HydrophobicContact CE1-CG 4.22Å; F70-E80 HydrophobicContact CZ-CG 4.49Å; F70-L83 HydrophobicContact CE2-CD2 3.71Å; F70-L83 HydrophobicContact CZ-CD2 3.69Å; F70-L113 HydrophobicContact CE2-CD2 4.5Å; F70-H116 HydrophobicContact CD2-CB 3.86Å; F70-H116 WeakPolarHBondContact CE1-O 3.45Å; F70-H116 HydrophobicContact CE2-CB 3.92Å; F70-H116 HydrophobicContact CG-CB 4.22Å; F70-H116 HydrophobicContact CZ-CB 4.32Å; F70-H116 WeakPolarHBondContact CZ-O 3.22Å; F70-V117 HydrophobicContact CE2-CG2 4.33Å; F70-V117 HydrophobicContact CZ-CG2 3.73Å |
| 71 | K | 82.5 | Confident | 80.7 | Confident | 188 Ų | 188 | 58.7 Ų | 58.7 | 82% | 0.817 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -71.1 | -17.2 | 171.9 | -171.4 | 168.8 | -177.6 | 174.8 | 0 | 114.3 | P67 E68 L69 | P67-K71 WeakPolarHBondContact O-CB 3.24Å; P67-K71 PolarHBondContact O-N 3.23Å; E68-K71 PolarHBondContact O-N 3.4Å; L69-K71 VanDerWaalsContact C-N 3.29Å; L69-K71 PolarHBondContact O-N 2.82Å |
| 72 | I | 80.1 | Confident | 80.7 | Confident | 59 Ų | 59 | 60 Ų | 60 | 30% | 0.303 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -95.8 | -39.4 | 177.1 | -66.9 | 161.4 | 0 | 0 | 0 | 111.5 | L30 K34 E68 L69 F70 | L30-I72 HydrophobicContact CD2-CD1 3.82Å; K34-I72 HydrophobicContact CD-CD1 4.47Å; K34-I72 VanDerWaalsContact CE-CD1 3.46Å; K34-I72 HydrophobicContact CG-CD1 4.28Å; K34-I72 HydrophobicContact CG-CG2 3.88Å; E68-I72 WeakPolarHBondContact O-CD1 3.47Å; E68-I72 WeakPolarHBondContact O-CG1 3.3Å; E68-I72 PolarHBondContact O-N 2.88Å; L69-I72 PolarHBondContact O-N 2.98Å; F70-I72 VanDerWaalsContact C-N 3.28Å; F70-I72 PolarHBondContact O-N 3.16Å |
| 73 | F | 82.6 | Confident | 80.8 | Confident | 20 Ų | 20 | 60.1 Ų | 60.1 | 9% | 0.088 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -120.6 | -11.9 | -170.5 | -59.4 | -71.1 | 0 | 0 | 0 | 115.3 | C33 V38 S41 L69 G75 N76 F79 | C33-F73 HydrophobicContact CB-CE2 4.1Å; C33-F73 HydrophobicContact CB-CZ 4.28Å; C33-F73 WeakPolarHBondContact O-CZ 3.12Å; V38-F73 HydrophobicContact CG2-CD1 3.75Å; V38-F73 HydrophobicContact CG2-CE1 4.34Å; V38-F73 HydrophobicContact CG2-CG 4.44Å; S41-F73 VanDerWaalsContact CB-CE2 3.44Å; S41-F73 WeakPolarHBondContact OG-CE2 2.95Å; S41-F73 WeakPolarHBondContact OG-CZ 3.18Å; L69-F73 HydrophobicContact CD2-CD2 4.28Å; L69-F73 HydrophobicContact CD2-CE2 4.07Å; L69-F73 PolarHBondContact O-N 3.07Å; F73-G75 PolarHBondContact O-N 3.34Å; F73-N76 VanDerWaalsContact O-CB 3.31Å; F73-N76 WeakPolarHBondContact O-CB 3.47Å; F73-N76 PolarHBondContact O-N 3.03Å; F73-F79 HydrophobicContact CB-CB 3.94Å; F73-F79 HydrophobicContact CB-CD1 3.63Å; F73-F79 HydrophobicContact CB-CD2 3.43Å; F73-F79 VanDerWaalsContact CB-CD2 3.43Å; F73-F79 HydrophobicContact CB-CE1 3.97Å; F73-F79 HydrophobicContact CB-CE2 3.79Å; F73-F79 HydrophobicContact CB-CG 3.35Å; F73-F79 HydrophobicContact CB-CZ 4.05Å; F73-F79 HydrophobicContact CD2-CD2 4.16Å; F73-F79 AromaticContact CD2-CE2 3.78Å; F73-F79 HydrophobicContact CD2-CE2 3.78Å; F73-F79 HydrophobicContact CD2-CZ 4.16Å; F73-F79 AromaticContact CG-CD2 3.85Å; F73-F79 HydrophobicContact CG-CD2 3.85Å; F73-F79 AromaticContact CG-CE2 3.97Å; F73-F79 HydrophobicContact CG-CE2 3.97Å; F73-F79 HydrophobicContact CG-CG 4.27Å; F73-F79 HydrophobicContact CG-CZ 4.48Å |
| 74 | G | 67.9 | Low | 81 | Confident | 49 Ų | 49 | 56.1 Ų | 56.1 | 51% | 0.505 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | 4.2 | -177 | 0 | 0 | 0 | 0 | 0 | 115.7 | F70 | F70-G74 VanDerWaalsContact O-CA 3.23Å; F70-G74 WeakPolarHBondContact O-CA 3.42Å; F70-G74 PolarHBondContact O-N 3.48Å |
| 75 | G | 71.2 | Confident | 81.2 | Confident | 88 Ų | 88 | 52.2 Ų | 52.2 | 91% | 0.907 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 10.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | F73 | F73-G75 PolarHBondContact O-N 3.34Š|
| 76 | N | 74.3 | Confident | 81.2 | Confident | 88 Ų | 88 | 52.9 Ų | 52.9 | 47% | 0.471 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -124.1 | 115.9 | -175.9 | -163.3 | -0.2 | 0 | 0 | 0 | 109.8 | V38 F73 S78 F79 | V38-N76 WeakPolarHBondContact CG2-ND2 3.28Å; F73-N76 VanDerWaalsContact O-CB 3.31Å; F73-N76 WeakPolarHBondContact O-CB 3.47Å; F73-N76 PolarHBondContact O-N 3.03Å; N76-S78 PolarHBondContact O-N 3.23Å; N76-S78 VanDerWaalsContact O-N 3.1Å; N76-F79 PolarHBondContact O-N 3.19Å |
| 77 | E | 70.4 | Confident | 81.3 | Confident | 192 Ų | 192 | 53 Ų | 53 | 90% | 0.897 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -58.9 | -29.8 | -164.2 | -61.8 | -178.8 | 158.7 | 0 | 0 | 114.1 | ||
| 78 | S | 80.5 | Confident | 81.4 | Confident | 50 Ų | 50 | 55.7 Ų | 55.7 | 35% | 0.35 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -76.3 | -29.4 | 178.4 | 87 | 0 | 0 | 0 | 0 | 113.8 | N76 E80 S81 D82 | N76-S78 PolarHBondContact O-N 3.23Å; N76-S78 VanDerWaalsContact O-N 3.1Å; S78-E80 VanDerWaalsContact C-N 3.32Å; S78-E80 PolarHBondContact O-N 3.1Å; S78-S81 CarbonylContact O-C 3.54Å; S78-S81 WeakPolarHBondContact O-CA 3.48Å; S78-S81 WeakPolarHBondContact O-CB 3.23Å; S78-S81 PolarHBondContact O-N 2.94Å; S78-D82 VanDerWaalsContact CB-OD2 3.27Å; S78-D82 WeakPolarHBondContact CB-OD2 3.42Å; S78-D82 PolarHBondContact O-N 3.35Å; S78-D82 PolarHBondContact OG-OD2 3.09Å |
| 79 | F | 84.7 | Confident | 81.4 | Confident | 3 Ų | 3 | 56.4 Ų | 56.4 | 1% | 0.013 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.6 | -41.1 | -166.2 | 171.4 | -100.3 | 0 | 0 | 0 | 112.7 | V38 V42 L69 F70 F73 N76 L83 | V38-F79 HydrophobicContact CG1-CB 4.2Å; V38-F79 HydrophobicContact CG1-CD2 4.14Å; V38-F79 HydrophobicContact CG2-CB 4.21Å; V38-F79 HydrophobicContact CG2-CD2 4.36Å; V42-F79 HydrophobicContact CG2-CD2 4.03Å; V42-F79 HydrophobicContact CG2-CE2 4.04Å; L69-F79 HydrophobicContact CB-CZ 4.26Å; F70-F79 HydrophobicContact CD1-CE1 4.37Å; F70-F79 HydrophobicContact CD2-CE1 4.39Å; F70-F79 HydrophobicContact CE1-CD1 4.46Å; F70-F79 HydrophobicContact CE1-CE1 4.22Å; F70-F79 HydrophobicContact CE2-CE1 4.25Å; F70-F79 HydrophobicContact CG-CE1 4.44Å; F70-F79 HydrophobicContact CZ-CE1 4.15Å; F73-F79 HydrophobicContact CB-CB 3.94Å; F73-F79 HydrophobicContact CB-CD1 3.63Å; F73-F79 HydrophobicContact CB-CD2 3.43Å; F73-F79 VanDerWaalsContact CB-CD2 3.43Å; F73-F79 HydrophobicContact CB-CE1 3.97Å; F73-F79 HydrophobicContact CB-CE2 3.79Å; F73-F79 HydrophobicContact CB-CG 3.35Å; F73-F79 HydrophobicContact CB-CZ 4.05Å; F73-F79 HydrophobicContact CD2-CD2 4.16Å; F73-F79 AromaticContact CD2-CE2 3.78Å; F73-F79 HydrophobicContact CD2-CE2 3.78Å; F73-F79 HydrophobicContact CD2-CZ 4.16Å; F73-F79 AromaticContact CG-CD2 3.85Å; F73-F79 HydrophobicContact CG-CD2 3.85Å; F73-F79 AromaticContact CG-CE2 3.97Å; F73-F79 HydrophobicContact CG-CE2 3.97Å; F73-F79 HydrophobicContact CG-CG 4.27Å; F73-F79 HydrophobicContact CG-CZ 4.48Å; N76-F79 PolarHBondContact O-N 3.19Å; F79-L83 HydrophobicContact CE1-CD2 4.1Å; F79-L83 HydrophobicContact CZ-CD2 4.16Å; F79-L83 WeakPolarHBondContact O-CB 3.45Å; F79-L83 PolarHBondContact O-N 3.06Å |
| 80 | E | 83.4 | Confident | 81.5 | Confident | 54 Ų | 54 | 56.2 Ų | 56.2 | 25% | 0.252 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.2 | -38.5 | 178.9 | -165.8 | 179.5 | 150.1 | 0 | 0 | 111.6 | F70 S78 L84 V117 N118 | F70-E80 HydrophobicContact CE1-CG 4.22Å; F70-E80 HydrophobicContact CZ-CG 4.49Å; S78-E80 VanDerWaalsContact C-N 3.32Å; S78-E80 PolarHBondContact O-N 3.1Å; E80-L84 HydrophobicContact CG-CD1 4.48Å; E80-L84 WeakPolarHBondContact O-CB 3.49Å; E80-L84 PolarHBondContact O-N 3.04Å; E80-L84 VanDerWaalsContact O-N 3.08Å; E80-V117 HydrophobicContact CG-CG1 4.32Å; E80-N118 WeakPolarHBondContact OE1-CB 3.4Å; E80-N118 PolarHBondContact OE1-N 2.99Å |
| 81 | S | 83.9 | Confident | 81.6 | Confident | 32 Ų | 32 | 54.7 Ų | 54.7 | 22% | 0.224 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67 | -52.7 | 173.4 | -174.6 | 0 | 0 | 0 | 0 | 111.8 | S78 L83 L84 D85 R125 | S78-S81 CarbonylContact O-C 3.54Å; S78-S81 WeakPolarHBondContact O-CA 3.48Å; S78-S81 WeakPolarHBondContact O-CB 3.23Å; S78-S81 PolarHBondContact O-N 2.94Å; S81-L83 PolarHBondContact O-N 3.41Å; S81-L84 CarbonylContact O-C 3.5Å; S81-L84 WeakPolarHBondContact O-CA 3.5Å; S81-L84 WeakPolarHBondContact O-CB 3.19Å; S81-L84 PolarHBondContact O-N 2.95Å; S81-D85 PolarHBondContact O-N 3.29Å; S81-D85 PolarHBondContact OG-OD2 3.03Å; S81-R125 PolarHBondContact O-NH1 3.41Å; S81-R125 VanDerWaalsContact O-NH1 3.1Å; S81-R125 PolarHBondContact OG-NH1 3.09Å; S81-R125 VanDerWaalsContact OG-NH1 3.08Å; S81-R125 PolarHBondContact OG-NH2 2.82Å |
| 82 | D | 84.6 | Confident | 81.6 | Confident | 53 Ų | 53 | 48 Ų | 48 | 28% | 0.283 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58 | -38 | -177.4 | -63.3 | -35.3 | 0 | 0 | 0 | 111.3 | V38 V42 S78 S86 | V38-D82 HydrophobicContact CG1-CB 4.43Å; V38-D82 WeakPolarHBondContact CG1-OD2 3.19Å; V42-D82 HydrophobicContact CG1-CB 4.39Å; V42-D82 WeakPolarHBondContact CG1-O 3.34Å; V42-D82 HydrophobicContact CG2-CB 3.89Å; S78-D82 VanDerWaalsContact CB-OD2 3.27Å; S78-D82 WeakPolarHBondContact CB-OD2 3.42Å; S78-D82 PolarHBondContact O-N 3.35Å; S78-D82 PolarHBondContact OG-OD2 3.09Å; D82-S86 WeakPolarHBondContact O-CB 3.37Å; D82-S86 PolarHBondContact O-N 3.42Å; D82-S86 PolarHBondContact O-OG 3Å |
| 83 | L | 85.7 | Confident | 81.6 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.6 | -47.1 | 173.7 | -177.9 | 67.2 | 0 | 0 | 0 | 111.7 | F45 F70 F79 S81 S86 L87 L113 | F45-L83 HydrophobicContact CB-CD1 4.49Å; F45-L83 HydrophobicContact CD1-CD1 3.35Å; F45-L83 HydrophobicContact CE1-CD1 3.71Å; F45-L83 HydrophobicContact CG-CD1 4.07Å; F70-L83 HydrophobicContact CE2-CD2 3.71Å; F70-L83 HydrophobicContact CZ-CD2 3.69Å; F79-L83 HydrophobicContact CE1-CD2 4.1Å; F79-L83 HydrophobicContact CZ-CD2 4.16Å; F79-L83 WeakPolarHBondContact O-CB 3.45Å; F79-L83 PolarHBondContact O-N 3.06Å; S81-L83 PolarHBondContact O-N 3.41Å; L83-S86 PolarHBondContact O-N 2.77Å; L83-L87 HydrophobicContact CD1-CD1 4.44Å; L83-L87 HydrophobicContact CG-CD1 4.04Å; L83-L87 VanDerWaalsContact O-CG 3.3Å; L83-L87 WeakPolarHBondContact O-CG 3.46Å; L83-L87 PolarHBondContact O-N 2.89Å; L83-L113 HydrophobicContact CD2-CD2 4.42Å |
| 84 | L | 86.2 | Confident | 81.4 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.1 | -38.3 | 177.8 | -90.6 | 164.5 | 0 | 0 | 0 | 113.3 | E80 S81 S86 L87 W88 V117 L121 I122 F126 | E80-L84 HydrophobicContact CG-CD1 4.48Å; E80-L84 WeakPolarHBondContact O-CB 3.49Å; E80-L84 PolarHBondContact O-N 3.04Å; E80-L84 VanDerWaalsContact O-N 3.08Å; S81-L84 CarbonylContact O-C 3.5Å; S81-L84 WeakPolarHBondContact O-CA 3.5Å; S81-L84 WeakPolarHBondContact O-CB 3.19Å; S81-L84 PolarHBondContact O-N 2.95Å; L84-S86 VanDerWaalsContact C-N 3.29Å; L84-S86 PolarHBondContact O-N 2.89Å; L84-L87 PolarHBondContact O-N 2.84Å; L84-W88 VanDerWaalsContact O-CB 3.24Å; L84-W88 WeakPolarHBondContact O-CB 3.5Å; L84-W88 PolarHBondContact O-N 3.33Å; L84-V117 HydrophobicContact CD1-CG1 3.56Å; L84-V117 HydrophobicContact CD2-CG1 4.11Å; L84-V117 HydrophobicContact CG-CG1 3.98Å; L84-L121 HydrophobicContact CD1-CB 3.39Å; L84-L121 HydrophobicContact CD1-CD1 3.82Å; L84-L121 HydrophobicContact CD1-CG 4.26Å; L84-I122 HydrophobicContact CD2-CG1 4.1Å; L84-F126 HydrophobicContact CD2-CE1 3.96Å; L84-F126 HydrophobicContact CD2-CZ 4.09Å |
| 85 | D | 85.6 | Confident | 81.6 | Confident | 63 Ų | 63 | 46.5 Ų | 46.5 | 34% | 0.337 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63 | -39.1 | 174.7 | -70.8 | -44.4 | 0 | 0 | 0 | 111.2 | S81 W88 L89 R125 | S81-D85 PolarHBondContact O-N 3.29Å; S81-D85 PolarHBondContact OG-OD2 3.03Å; D85-W88 PolarHBondContact O-N 3.33Å; D85-L89 WeakPolarHBondContact O-CB 3.35Å; D85-L89 PolarHBondContact O-N 3.04Å; D85-R125 IonicContact OD1-CZ 2.84Å; D85-R125 IonicContact OD1-NE 2.79Å; D85-R125 IonicContact OD1-NH1 2.66Å; D85-R125 PolarHBondContact OD1-NH1 2.93Å; D85-R125 IonicContact OD2-CZ 3.18Å; D85-R125 IonicContact OD2-NH1 3.92Å; D85-R125 PolarHBondContact OD2-NH1 2.94Å |
| 86 | S | 84.5 | Confident | 81.7 | Confident | 13 Ų | 13 | 48.8 Ų | 48.8 | 9% | 0.091 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -70.4 | -35.7 | 176.2 | -56.4 | 0 | 0 | 0 | 0 | 112.4 | V42 T46 D82 L83 L84 I90 | V42-S86 WeakPolarHBondContact CG1-OG 3.34Å; T46-S86 WeakPolarHBondContact OG1-CB 3.36Å; D82-S86 WeakPolarHBondContact O-CB 3.37Å; D82-S86 PolarHBondContact O-N 3.42Å; D82-S86 PolarHBondContact O-OG 3Å; L83-S86 PolarHBondContact O-N 2.77Å; L84-S86 VanDerWaalsContact C-N 3.29Å; L84-S86 PolarHBondContact O-N 2.89Å; S86-I90 WeakPolarHBondContact O-CG1 3.44Å; S86-I90 PolarHBondContact O-N 3.08Å |
| 87 | L | 86.5 | Confident | 81.7 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -73.1 | -34.8 | 173.8 | -71.8 | 163.3 | 0 | 0 | 0 | 112.7 | F45 V49 L83 L84 I90 D91 L109 I110 L113 F126 | F45-L87 HydrophobicContact CE1-CD2 4.44Å; V49-L87 HydrophobicContact CG1-CD2 4.3Å; V49-L87 HydrophobicContact CG2-CD2 4.45Å; L83-L87 HydrophobicContact CD1-CD1 4.44Å; L83-L87 HydrophobicContact CG-CD1 4.04Å; L83-L87 VanDerWaalsContact O-CG 3.3Å; L83-L87 WeakPolarHBondContact O-CG 3.46Å; L83-L87 PolarHBondContact O-N 2.89Å; L84-L87 PolarHBondContact O-N 2.84Å; L87-I90 CarbonylContact O-C 3.54Å; L87-I90 WeakPolarHBondContact O-CA 3.49Å; L87-I90 WeakPolarHBondContact O-CB 3.45Å; L87-I90 PolarHBondContact O-N 2.81Å; L87-I90 VanDerWaalsContact O-N 3.14Å; L87-D91 PolarHBondContact O-N 3.24Å; L87-L109 HydrophobicContact CD2-CD2 3.98Å; L87-I110 HydrophobicContact CD2-CD1 4.19Å; L87-L113 HydrophobicContact CD1-CD1 3.62Å; L87-L113 HydrophobicContact CD2-CD1 4Å; L87-L113 HydrophobicContact CG-CD1 4.49Å; L87-F126 HydrophobicContact CB-CE1 4.28Å; L87-F126 HydrophobicContact CB-CZ 3.99Å |
| 88 | W | 85.9 | Confident | 81.7 | Confident | 108 Ų | 108 | 45.3 Ų | 45.3 | 41% | 0.409 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.4 | -39.1 | 173.5 | 168.8 | 70.8 | 0 | 0 | 0 | 111.8 | L84 D85 I90 D91 S92 R125 F126 | L84-W88 VanDerWaalsContact O-CB 3.24Å; L84-W88 WeakPolarHBondContact O-CB 3.5Å; L84-W88 PolarHBondContact O-N 3.33Å; D85-W88 PolarHBondContact O-N 3.33Å; W88-I90 PolarHBondContact O-N 3.15Å; W88-D91 PolarHBondContact O-N 2.81Å; W88-S92 WeakPolarHBondContact O-CB 3.4Å; W88-S92 PolarHBondContact O-N 3.13Å; W88-S92 PolarHBondContact O-OG 3.19Å; W88-R125 HydrophobicContact CB-CB 4.41Å; W88-R125 HydrophobicContact CG-CB 4.33Å; W88-R125 PolarHBondContact NE1-O 3.39Å; W88-R125 VanDerWaalsContact NE1-O 3.1Å; W88-F126 HydrophobicContact CB-CD1 4.28Å; W88-F126 HydrophobicContact CB-CE1 4.17Å |
| 89 | L | 83.2 | Confident | 81.6 | Confident | 78 Ų | 78 | 45.2 Ų | 45.2 | 41% | 0.408 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.6 | -31.4 | 172.3 | -158.4 | 71.8 | 0 | 0 | 0 | 111.4 | L4 D85 S93 | L4-L89 HydrophobicContact CD1-CD2 4.48Å; L4-L89 HydrophobicContact CD1-CG 4.3Å; L4-L89 HydrophobicContact CD2-CD2 4.01Å; L4-L89 HydrophobicContact CG-CD2 3.97Å; L4-L89 HydrophobicContact CG-CG 4.33Å; D85-L89 WeakPolarHBondContact O-CB 3.35Å; D85-L89 PolarHBondContact O-N 3.04Å; L89-S93 WeakPolarHBondContact O-CB 3.42Å; L89-S93 PolarHBondContact O-N 3.33Å; L89-S93 PolarHBondContact O-OG 3.24Å |
| 90 | I | 83.8 | Confident | 81.3 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -74.7 | -48.6 | 173 | -69.1 | 177.3 | 0 | 0 | 0 | 111.4 | L4 T46 V49 L50 I53 S86 L87 W88 S92 S93 I94 F106 | L4-I90 HydrophobicContact CD1-CG1 4.08Å; L4-I90 HydrophobicContact CD2-CG1 4.04Å; T46-I90 HydrophobicContact CG2-CD1 3.98Å; V49-I90 HydrophobicContact CB-CD1 4.19Å; V49-I90 HydrophobicContact CG1-CD1 3.58Å; L50-I90 HydrophobicContact CD1-CD1 4.14Å; L50-I90 HydrophobicContact CD1-CG1 4.23Å; I53-I90 HydrophobicContact CD1-CG2 3.99Å; S86-I90 WeakPolarHBondContact O-CG1 3.44Å; S86-I90 PolarHBondContact O-N 3.08Å; L87-I90 CarbonylContact O-C 3.54Å; L87-I90 WeakPolarHBondContact O-CA 3.49Å; L87-I90 WeakPolarHBondContact O-CB 3.45Å; L87-I90 PolarHBondContact O-N 2.81Å; L87-I90 VanDerWaalsContact O-N 3.14Å; W88-I90 PolarHBondContact O-N 3.15Å; I90-S92 VanDerWaalsContact C-N 3.34Å; I90-S92 PolarHBondContact O-N 2.89Å; I90-S93 WeakPolarHBondContact CA-OG 3.3Å; I90-S93 CarbonylContact O-C 3.55Å; I90-S93 WeakPolarHBondContact O-CA 3.24Å; I90-S93 PolarHBondContact O-N 3.28Å; I90-S93 PolarHBondContact O-OG 3.24Å; I90-I94 HydrophobicContact CG2-CD1 3.51Å; I90-I94 HydrophobicContact CG2-CG1 4.2Å; I90-I94 WeakPolarHBondContact O-CB 3.08Å; I90-I94 WeakPolarHBondContact O-CG1 3.42Å; I90-I94 PolarHBondContact O-N 3.46Å; I90-F106 HydrophobicContact CB-CE2 4.35Å; I90-F106 HydrophobicContact CG2-CD2 3.94Å; I90-F106 HydrophobicContact CG2-CE2 3.63Å; I90-F106 HydrophobicContact CG2-CZ 4.36Å |
| 91 | D | 86 | Confident | 81.2 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -50.4 | -53.3 | 174.5 | -175.6 | 46.1 | 0 | 0 | 0 | 111 | L87 W88 S93 I94 A95 F106 C127 T130 | L87-D91 PolarHBondContact O-N 3.24Å; W88-D91 PolarHBondContact O-N 2.81Å; D91-S93 VanDerWaalsContact C-N 3.26Å; D91-S93 PolarHBondContact O-N 2.92Å; D91-I94 PolarHBondContact O-N 2.99Å; D91-A95 PolarHBondContact O-N 3Å; D91-F106 HydrophobicContact CB-CE1 3.82Å; D91-F106 HydrophobicContact CB-CZ 3.77Å; D91-F106 WeakPolarHBondContact OD1-CE1 3.35Å; D91-C127 PolarHBondContact OD2-N 2.91Å; D91-C127 PolarHBondContact OD2-SG 3.47Å; D91-T130 VanDerWaalsContact OD1-CB 3.27Å; D91-T130 WeakPolarHBondContact OD1-CB 3.23Å; D91-T130 WeakPolarHBondContact OD1-CG2 3.46Å; D91-T130 PolarHBondContact OD1-OG1 3.35Å |
| 92 | S | 82.1 | Confident | 81.2 | Confident | 48 Ų | 48 | 54.4 Ų | 54.4 | 34% | 0.336 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -56 | -38.7 | 176.2 | -57.5 | 0 | 0 | 0 | 0 | 112.5 | W88 I90 | W88-S92 WeakPolarHBondContact O-CB 3.4Å; W88-S92 PolarHBondContact O-N 3.13Å; W88-S92 PolarHBondContact O-OG 3.19Å; I90-S92 VanDerWaalsContact C-N 3.34Å; I90-S92 PolarHBondContact O-N 2.89Å |
| 93 | S | 80 | Confident | 81 | Confident | 16 Ų | 16 | 56.2 Ų | 56.2 | 11% | 0.112 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -80.9 | -14 | 178.4 | 78.1 | 0 | 0 | 0 | 0 | 114.6 | L89 I90 D91 I97 | L89-S93 WeakPolarHBondContact O-CB 3.42Å; L89-S93 PolarHBondContact O-N 3.33Å; L89-S93 PolarHBondContact O-OG 3.24Å; I90-S93 WeakPolarHBondContact CA-OG 3.3Å; I90-S93 CarbonylContact O-C 3.55Å; I90-S93 WeakPolarHBondContact O-CA 3.24Å; I90-S93 PolarHBondContact O-N 3.28Å; I90-S93 PolarHBondContact O-OG 3.24Å; D91-S93 VanDerWaalsContact C-N 3.26Å; D91-S93 PolarHBondContact O-N 2.92Å; S93-I97 WeakPolarHBondContact O-CD1 3.29Å; S93-I97 WeakPolarHBondContact O-CG1 3.33Å |
| 94 | I | 78.6 | Confident | 80.9 | Confident | 5 Ų | 5 | 59.6 Ų | 59.6 | 3% | 0.026 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -92.4 | -25.3 | 179.1 | -76.6 | 178.9 | 0 | 0 | 0 | 111.3 | I53 I90 D91 D96 I97 V102 R103 F106 | I53-I94 HydrophobicContact CD1-CD1 3.99Å; I53-I94 HydrophobicContact CG2-CD1 4.19Å; I90-I94 HydrophobicContact CG2-CD1 3.51Å; I90-I94 HydrophobicContact CG2-CG1 4.2Å; I90-I94 WeakPolarHBondContact O-CB 3.08Å; I90-I94 WeakPolarHBondContact O-CG1 3.42Å; I90-I94 PolarHBondContact O-N 3.46Å; D91-I94 PolarHBondContact O-N 2.99Å; I94-D96 PolarHBondContact O-N 3.08Å; I94-I97 HydrophobicContact CG1-CD1 4.32Å; I94-I97 PolarHBondContact O-N 3.38Å; I94-V102 HydrophobicContact CD1-CG1 4.24Å; I94-V102 HydrophobicContact CG1-CG1 4.14Å; I94-V102 HydrophobicContact CG2-CG1 4.38Å; I94-R103 HydrophobicContact CG2-CG 3.7Å; I94-F106 HydrophobicContact CD1-CB 3.68Å; I94-F106 HydrophobicContact CD1-CD1 4.13Å; I94-F106 HydrophobicContact CD1-CD2 3.75Å; I94-F106 HydrophobicContact CD1-CE2 4.41Å; I94-F106 HydrophobicContact CD1-CG 3.58Å; I94-F106 HydrophobicContact CG2-CD1 4.39Å |
| 95 | A | 73.4 | Confident | 80.8 | Confident | 74 Ų | 74 | 63.3 Ų | 63.3 | 61% | 0.612 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -54.5 | -34.4 | 166 | 0 | 0 | 0 | 0 | 0 | 112.6 | D91 | D91-A95 PolarHBondContact O-N 3Å |
| 96 | D | 73.3 | Confident | 80.9 | Confident | 137 Ų | 137 | 60.3 Ų | 60.3 | 73% | 0.733 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -11.4 | 176.1 | -70.6 | -28.8 | 0 | 0 | 0 | 114.3 | I94 | I94-D96 PolarHBondContact O-N 3.08Š|
| 97 | I | 73.5 | Confident | 81 | Confident | 40 Ų | 40 | 61.9 Ų | 61.9 | 21% | 0.205 | 32% | 0.32 | C | S | . | . | trans | -99.7 | 106.5 | -170.4 | -65.4 | 170.1 | 0 | 0 | 0 | 111.3 | M1 S93 I94 S99 V102 | M1-I97 HydrophobicContact CE-CD1 4.36Å; M1-I97 HydrophobicContact CG-CD1 3.98Å; M1-I97 HydrophobicContact SD-CD1 4.11Å; S93-I97 WeakPolarHBondContact O-CD1 3.29Å; S93-I97 WeakPolarHBondContact O-CG1 3.33Å; I94-I97 HydrophobicContact CG1-CD1 4.32Å; I94-I97 PolarHBondContact O-N 3.38Å; I97-S99 PolarHBondContact O-N 2.8Å; I97-V102 HydrophobicContact CB-CG1 4.39Å; I97-V102 HydrophobicContact CD1-CG1 4.39Å; I97-V102 HydrophobicContact CG2-CB 4.11Å; I97-V102 HydrophobicContact CG2-CG1 3.85Å; I97-V102 HydrophobicContact CG2-CG2 4.37Å | ||
| 98 | N | 69.4 | Low | 80.8 | Confident | 167 Ų | 167 | 68.2 Ų | 68.2 | 89% | 0.893 | 34% | 0.344 | S | S | * | . | trans | -62.8 | 5.9 | 177 | -72.6 | -39.1 | 0 | 0 | 0 | 115.8 | ||||
| 99 | S | 79.6 | Confident | 80.8 | Confident | 48 Ų | 48 | 63.1 Ų | 63.1 | 34% | 0.336 | 32% | 0.324 | S | S | . | . | trans | -91 | 108.8 | 178.4 | -179.1 | 0 | 0 | 0 | 0 | 110.9 | I97 L101 V102 R103 | I97-S99 PolarHBondContact O-N 2.8Å; S99-L101 VanDerWaalsContact C-N 3.26Å; S99-L101 PolarHBondContact O-N 2.97Å; S99-V102 WeakPolarHBondContact O-CB 3.31Å; S99-V102 PolarHBondContact O-N 3.09Å; S99-R103 PolarHBondContact O-N 3.43Å | ||
| 100 | E | 78.4 | Confident | 80.8 | Confident | 147 Ų | 147 | 59.5 Ų | 59.5 | 69% | 0.687 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -59.3 | -36.6 | 176.5 | -170.9 | 164.9 | -127.6 | 0 | 0 | 112.6 | V102 R103 D104 | E100-V102 VanDerWaalsContact C-N 3.28Å; E100-V102 PolarHBondContact O-N 3.36Å; E100-R103 PolarHBondContact O-N 3.34Å; E100-R103 VanDerWaalsContact O-N 3.14Å; E100-D104 PolarHBondContact O-N 2.81Å |
| 101 | L | 81.5 | Confident | 80.7 | Confident | 122 Ų | 122 | 64.9 Ų | 64.9 | 64% | 0.639 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63.4 | -30.6 | 174.4 | -65 | 174.8 | 0 | 0 | 0 | 113 | S99 R105 | S99-L101 VanDerWaalsContact C-N 3.26Å; S99-L101 PolarHBondContact O-N 2.97Å; L101-R105 VanDerWaalsContact O-CB 3.3Å; L101-R105 WeakPolarHBondContact O-CB 3.37Å; L101-R105 VanDerWaalsContact O-CD 3.28Å; L101-R105 WeakPolarHBondContact O-CD 3.5Å; L101-R105 WeakPolarHBondContact O-CG 3.38Å; L101-R105 PolarHBondContact O-N 3.47Å |
| 102 | V | 82.5 | Confident | 80.6 | Confident | 13 Ų | 13 | 66.2 Ų | 66.2 | 8% | 0.079 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -72.4 | -38.7 | 174.5 | 158.7 | 0 | 0 | 0 | 0 | 110.6 | I53 I94 I97 S99 E100 F106 | I53-V102 HydrophobicContact CG2-CB 4.24Å; I53-V102 HydrophobicContact CG2-CG1 3.63Å; I53-V102 HydrophobicContact CG2-CG2 4.31Å; I94-V102 HydrophobicContact CD1-CG1 4.24Å; I94-V102 HydrophobicContact CG1-CG1 4.14Å; I94-V102 HydrophobicContact CG2-CG1 4.38Å; I97-V102 HydrophobicContact CB-CG1 4.39Å; I97-V102 HydrophobicContact CD1-CG1 4.39Å; I97-V102 HydrophobicContact CG2-CB 4.11Å; I97-V102 HydrophobicContact CG2-CG1 3.85Å; I97-V102 HydrophobicContact CG2-CG2 4.37Å; S99-V102 WeakPolarHBondContact O-CB 3.31Å; S99-V102 PolarHBondContact O-N 3.09Å; E100-V102 VanDerWaalsContact C-N 3.28Å; E100-V102 PolarHBondContact O-N 3.36Å; V102-F106 PolarHBondContact O-N 3.12Å |
| 103 | R | 81.9 | Confident | 80.5 | Confident | 90 Ų | 90 | 64.1 Ų | 64.1 | 34% | 0.34 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -70.9 | -47.8 | 179.7 | -65.5 | -174.9 | -63.3 | 160.5 | 6.6 | 112.8 | I94 S99 E100 R105 F106 Y107 | I94-R103 HydrophobicContact CG2-CG 3.7Å; S99-R103 PolarHBondContact O-N 3.43Å; E100-R103 PolarHBondContact O-N 3.34Å; E100-R103 VanDerWaalsContact O-N 3.14Å; R103-R105 VanDerWaalsContact C-N 3.3Å; R103-R105 PolarHBondContact O-N 2.96Å; R103-F106 PolarHBondContact O-N 3.25Å; R103-Y107 HydrophobicContact CB-CE2 4.22Å; R103-Y107 WeakPolarHBondContact O-CD2 3.4Å; R103-Y107 VanDerWaalsContact O-CG 3.31Å; R103-Y107 PolarHBondContact O-N 3.21Å |
| 104 | D | 83.9 | Confident | 80.6 | Confident | 74 Ų | 74 | 69.1 Ų | 69.1 | 40% | 0.396 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -57.9 | -42.7 | 174.9 | 179 | 68.2 | 0 | 0 | 0 | 111.8 | E100 F106 Y107 R108 | E100-D104 PolarHBondContact O-N 2.81Å; D104-F106 VanDerWaalsContact C-N 3.33Å; D104-F106 PolarHBondContact O-N 3.49Å; D104-Y107 PolarHBondContact O-N 3.03Å; D104-R108 WeakPolarHBondContact O-CG 3.2Å; D104-R108 PolarHBondContact O-N 3.07Å; D104-R108 IonicContact OD1-NE 3.38Å; D104-R108 IonicContact OD2-CZ 3.04Å; D104-R108 IonicContact OD2-NE 2.75Å; D104-R108 PolarHBondContact OD2-NE 3.03Å; D104-R108 IonicContact OD2-NH2 3.96Å; D104-R108 PolarHBondContact OD2-NH2 3.17Å |
| 105 | R | 84 | Confident | 80.7 | Confident | 80 Ų | 80 | 75.1 Ų | 75.1 | 30% | 0.302 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.1 | -39.8 | 174.6 | -77.9 | 179.2 | -179.5 | 170.3 | -1.7 | 112.8 | I53 N54 G55 I59 L101 R103 L109 | I53-R105 WeakPolarHBondContact O-CD 3.41Å; I53-R105 PolarHBondContact O-NH1 3.42Å; N54-R105 PolarHBondContact O-NH1 3.44Å; G55-R105 VanDerWaalsContact CA-NH1 3.26Å; I59-R105 HydrophobicContact CD1-CB 3.53Å; I59-R105 HydrophobicContact CD1-CG 3.53Å; L101-R105 VanDerWaalsContact O-CB 3.3Å; L101-R105 WeakPolarHBondContact O-CB 3.37Å; L101-R105 VanDerWaalsContact O-CD 3.28Å; L101-R105 WeakPolarHBondContact O-CD 3.5Å; L101-R105 WeakPolarHBondContact O-CG 3.38Å; L101-R105 PolarHBondContact O-N 3.47Å; R103-R105 VanDerWaalsContact C-N 3.3Å; R103-R105 PolarHBondContact O-N 2.96Å; R105-L109 VanDerWaalsContact O-CB 3.3Å; R105-L109 WeakPolarHBondContact O-CB 3.44Å; R105-L109 PolarHBondContact O-N 2.92Å |
| 106 | F | 87 | Confident | 81 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -71.1 | -42.5 | 176.1 | -177.8 | -113.9 | 0 | 0 | 0 | 112.4 | I53 I90 D91 I94 V102 R103 D104 R108 L109 I110 T130 | I53-F106 HydrophobicContact CD1-CB 4.31Å; I53-F106 HydrophobicContact CD1-CD2 3.71Å; I53-F106 HydrophobicContact CD1-CG 4.46Å; I90-F106 HydrophobicContact CB-CE2 4.35Å; I90-F106 HydrophobicContact CG2-CD2 3.94Å; I90-F106 HydrophobicContact CG2-CE2 3.63Å; I90-F106 HydrophobicContact CG2-CZ 4.36Å; D91-F106 HydrophobicContact CB-CE1 3.82Å; D91-F106 HydrophobicContact CB-CZ 3.77Å; D91-F106 WeakPolarHBondContact OD1-CE1 3.35Å; I94-F106 HydrophobicContact CD1-CB 3.68Å; I94-F106 HydrophobicContact CD1-CD1 4.13Å; I94-F106 HydrophobicContact CD1-CD2 3.75Å; I94-F106 HydrophobicContact CD1-CE2 4.41Å; I94-F106 HydrophobicContact CD1-CG 3.58Å; I94-F106 HydrophobicContact CG2-CD1 4.39Å; V102-F106 PolarHBondContact O-N 3.12Å; R103-F106 PolarHBondContact O-N 3.25Å; D104-F106 VanDerWaalsContact C-N 3.33Å; D104-F106 PolarHBondContact O-N 3.49Å; F106-R108 PolarHBondContact O-N 3.17Å; F106-L109 HydrophobicContact CD2-CD2 4.35Å; F106-L109 HydrophobicContact CE2-CD2 4.46Å; F106-L109 WeakPolarHBondContact O-CA 3.48Å; F106-L109 WeakPolarHBondContact O-CB 3.5Å; F106-L109 PolarHBondContact O-N 3.02Å; F106-I110 HydrophobicContact CD1-CG1 4.37Å; F106-I110 HydrophobicContact CD2-CG1 4.33Å; F106-I110 HydrophobicContact CE1-CD1 4.46Å; F106-I110 HydrophobicContact CE1-CG1 3.92Å; F106-I110 HydrophobicContact CE2-CD1 3.75Å; F106-I110 HydrophobicContact CE2-CG1 3.9Å; F106-I110 HydrophobicContact CZ-CD1 3.72Å; F106-I110 HydrophobicContact CZ-CG1 3.68Å; F106-I110 PolarHBondContact O-N 3.14Å; F106-T130 HydrophobicContact CE1-CG2 4.45Å |
| 107 | Y | 85.7 | Confident | 81.3 | Confident | 47 Ų | 47 | 68.7 Ų | 68.7 | 18% | 0.184 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 177.3 | -59.9 | -29.8 | 0 | 0 | 0 | 111.9 | R103 D104 L109 I110 E111 T130 N133 | R103-Y107 HydrophobicContact CB-CE2 4.22Å; R103-Y107 WeakPolarHBondContact O-CD2 3.4Å; R103-Y107 VanDerWaalsContact O-CG 3.31Å; R103-Y107 PolarHBondContact O-N 3.21Å; D104-Y107 PolarHBondContact O-N 3.03Å; Y107-L109 VanDerWaalsContact C-N 3.27Å; Y107-L109 PolarHBondContact O-N 3.15Å; Y107-I110 PolarHBondContact O-N 2.88Å; Y107-E111 WeakPolarHBondContact O-CB 3.32Å; Y107-E111 PolarHBondContact O-N 3.27Å; Y107-T130 HydrophobicContact CE1-CG2 4.31Å; Y107-N133 HydrophobicContact CD2-CB 4.46Å; Y107-N133 HydrophobicContact CE1-CB 4.4Å; Y107-N133 HydrophobicContact CE2-CB 4.04Å |
| 108 | R | 83.3 | Confident | 81.7 | Confident | 137 Ų | 137 | 70.5 Ų | 70.5 | 52% | 0.517 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.7 | -36.5 | 170.9 | -69.9 | 174.2 | -172.1 | -105.7 | -4 | 113.1 | D104 F106 E111 I112 | D104-R108 WeakPolarHBondContact O-CG 3.2Å; D104-R108 PolarHBondContact O-N 3.07Å; D104-R108 IonicContact OD1-NE 3.38Å; D104-R108 IonicContact OD2-CZ 3.04Å; D104-R108 IonicContact OD2-NE 2.75Å; D104-R108 PolarHBondContact OD2-NE 3.03Å; D104-R108 IonicContact OD2-NH2 3.96Å; D104-R108 PolarHBondContact OD2-NH2 3.17Å; F106-R108 PolarHBondContact O-N 3.17Å; R108-E111 PolarHBondContact O-N 2.88Å; R108-I112 WeakPolarHBondContact O-CG1 3.41Å; R108-I112 PolarHBondContact O-N 3.37Å; R108-I112 VanDerWaalsContact O-N 3.08Å |
| 109 | L | 84.7 | Confident | 82.2 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.8 | -40.8 | -179.6 | -175.6 | 144.4 | 0 | 0 | 0 | 111.4 | V49 I53 L62 L87 R105 F106 Y107 I112 L113 | V49-L109 HydrophobicContact CB-CD1 4.29Å; V49-L109 HydrophobicContact CG1-CD1 3.8Å; V49-L109 HydrophobicContact CG1-CD2 3.87Å; V49-L109 HydrophobicContact CG2-CD1 4.15Å; V49-L109 HydrophobicContact CG2-CD2 4.25Å; I53-L109 HydrophobicContact CD1-CD1 4.31Å; I53-L109 HydrophobicContact CG1-CD1 4.14Å; L62-L109 HydrophobicContact CD1-CD1 3.38Å; L62-L109 HydrophobicContact CD1-CG 3.55Å; L87-L109 HydrophobicContact CD2-CD2 3.98Å; R105-L109 VanDerWaalsContact O-CB 3.3Å; R105-L109 WeakPolarHBondContact O-CB 3.44Å; R105-L109 PolarHBondContact O-N 2.92Å; F106-L109 HydrophobicContact CD2-CD2 4.35Å; F106-L109 HydrophobicContact CE2-CD2 4.46Å; F106-L109 WeakPolarHBondContact O-CA 3.48Å; F106-L109 WeakPolarHBondContact O-CB 3.5Å; F106-L109 PolarHBondContact O-N 3.02Å; Y107-L109 VanDerWaalsContact C-N 3.27Å; Y107-L109 PolarHBondContact O-N 3.15Å; L109-I112 PolarHBondContact O-N 3.48Å; L109-L113 HydrophobicContact CD2-CD1 3.83Å; L109-L113 WeakPolarHBondContact O-CD1 3.4Å; L109-L113 PolarHBondContact O-N 3.13Å |
| 110 | I | 83.8 | Confident | 82.2 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 2% | 0.015 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.8 | -35.8 | 171.5 | -58.9 | -53 | 0 | 0 | 0 | 111.6 | L87 F106 Y107 I112 L113 R114 F126 L134 | L87-I110 HydrophobicContact CD2-CD1 4.19Å; F106-I110 HydrophobicContact CD1-CG1 4.37Å; F106-I110 HydrophobicContact CD2-CG1 4.33Å; F106-I110 HydrophobicContact CE1-CD1 4.46Å; F106-I110 HydrophobicContact CE1-CG1 3.92Å; F106-I110 HydrophobicContact CE2-CD1 3.75Å; F106-I110 HydrophobicContact CE2-CG1 3.9Å; F106-I110 HydrophobicContact CZ-CD1 3.72Å; F106-I110 HydrophobicContact CZ-CG1 3.68Å; F106-I110 PolarHBondContact O-N 3.14Å; Y107-I110 PolarHBondContact O-N 2.88Å; I110-I112 VanDerWaalsContact C-N 3.28Å; I110-I112 PolarHBondContact O-N 2.87Å; I110-L113 HydrophobicContact CD1-CD1 4.06Å; I110-L113 CarbonylContact O-C 3.58Å; I110-L113 PolarHBondContact O-N 2.88Å; I110-R114 PolarHBondContact O-N 2.81Å; I110-F126 HydrophobicContact CB-CE2 4.5Å; I110-F126 HydrophobicContact CD1-CE2 3.6Å; I110-F126 HydrophobicContact CD1-CZ 3.82Å; I110-F126 HydrophobicContact CG1-CE2 3.83Å; I110-F126 HydrophobicContact CG2-CE2 3.82Å; I110-L134 HydrophobicContact CB-CD1 4.06Å; I110-L134 HydrophobicContact CB-CD2 4.38Å; I110-L134 HydrophobicContact CG2-CD1 3.45Å; I110-L134 VanDerWaalsContact CG2-CD1 3.45Å; I110-L134 HydrophobicContact CG2-CD2 4.33Å |
| 111 | E | 82.3 | Confident | 82.3 | Confident | 113 Ų | 113 | 61.1 Ų | 61.1 | 53% | 0.528 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.6 | -34.1 | 175 | -172.3 | 172.9 | -141 | 0 | 0 | 112.6 | Y107 R108 R114 | Y107-E111 WeakPolarHBondContact O-CB 3.32Å; Y107-E111 PolarHBondContact O-N 3.27Å; R108-E111 PolarHBondContact O-N 2.88Å; E111-R114 WeakPolarHBondContact O-CB 3.46Å |
| 112 | I | 83.2 | Confident | 82.3 | Confident | 30 Ų | 30 | 55.5 Ų | 55.5 | 15% | 0.154 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.7 | -41.4 | 170.5 | -68 | 164.9 | 0 | 0 | 0 | 111.3 | I59 L62 V63 V66 R108 L109 I110 | I59-I112 HydrophobicContact CG2-CD1 3.74Å; L62-I112 HydrophobicContact CB-CD1 4.33Å; L62-I112 HydrophobicContact CB-CG2 4.22Å; V63-I112 HydrophobicContact CG2-CD1 3.8Å; V63-I112 HydrophobicContact CG2-CG1 4.11Å; V63-I112 HydrophobicContact CG2-CG2 4.44Å; V66-I112 HydrophobicContact CG2-CG2 4.41Å; R108-I112 WeakPolarHBondContact O-CG1 3.41Å; R108-I112 PolarHBondContact O-N 3.37Å; R108-I112 VanDerWaalsContact O-N 3.08Å; L109-I112 PolarHBondContact O-N 3.48Å; I110-I112 VanDerWaalsContact C-N 3.28Å; I110-I112 PolarHBondContact O-N 2.87Å |
| 113 | L | 81.6 | Confident | 82.3 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -71.9 | -27.3 | -180 | -76.2 | 156.1 | 0 | 0 | 0 | 113.6 | F45 V66 F70 L83 L87 L109 I110 N115 H116 V117 | F45-L113 HydrophobicContact CZ-CD2 4.32Å; V66-L113 HydrophobicContact CG1-CD2 3.76Å; V66-L113 HydrophobicContact CG2-CD2 4.01Å; V66-L113 HydrophobicContact CG2-CG 4.49Å; F70-L113 HydrophobicContact CE2-CD2 4.5Å; L83-L113 HydrophobicContact CD2-CD2 4.42Å; L87-L113 HydrophobicContact CD1-CD1 3.62Å; L87-L113 HydrophobicContact CD2-CD1 4Å; L87-L113 HydrophobicContact CG-CD1 4.49Å; L109-L113 HydrophobicContact CD2-CD1 3.83Å; L109-L113 WeakPolarHBondContact O-CD1 3.4Å; L109-L113 PolarHBondContact O-N 3.13Å; I110-L113 HydrophobicContact CD1-CD1 4.06Å; I110-L113 CarbonylContact O-C 3.58Å; I110-L113 PolarHBondContact O-N 2.88Å; L113-N115 PolarHBondContact O-N 2.95Å; L113-H116 PolarHBondContact O-N 3.01Å; L113-V117 HydrophobicContact CB-CG2 4.5Å; L113-V117 PolarHBondContact O-N 3.37Å |
| 114 | R | 80.5 | Confident | 82.2 | Confident | 121 Ų | 121 | 61.1 Ų | 61.1 | 46% | 0.457 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -28.8 | 178.4 | -176.4 | -177.6 | 179.4 | -176.8 | 4.8 | 114 | I110 E111 H116 F136 | I110-R114 PolarHBondContact O-N 2.81Å; E111-R114 WeakPolarHBondContact O-CB 3.46Å; R114-H116 VanDerWaalsContact C-N 3.32Å; R114-F136 HydrophobicContact CG-CZ 4.32Å |
| 115 | N | 80.7 | Confident | 82.2 | Confident | 130 Ų | 130 | 60 Ų | 60 | 70% | 0.695 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -0.9 | -179.7 | -60 | -48.5 | 0 | 0 | 0 | 114 | L113 | L113-N115 PolarHBondContact O-N 2.95Š|
| 116 | H | 80.7 | Confident | 82.2 | Confident | 67 Ų | 67 | 56.7 Ų | 56.7 | 31% | 0.31 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.3 | -4.2 | -173 | -62.9 | -61.8 | 0 | 0 | 0 | 114.3 | V66 F70 L113 R114 | V66-H116 HydrophobicContact CG1-CB 4.01Å; V66-H116 VanDerWaalsContact CG1-CD2 3.46Å; V66-H116 WeakPolarHBondContact CG1-CD2 3.29Å; F70-H116 HydrophobicContact CD2-CB 3.86Å; F70-H116 WeakPolarHBondContact CE1-O 3.45Å; F70-H116 HydrophobicContact CE2-CB 3.92Å; F70-H116 HydrophobicContact CG-CB 4.22Å; F70-H116 HydrophobicContact CZ-CB 4.32Å; F70-H116 WeakPolarHBondContact CZ-O 3.22Å; L113-H116 PolarHBondContact O-N 3.01Å; R114-H116 VanDerWaalsContact C-N 3.32Å |
| 117 | V | 80 | Confident | 82 | Confident | 10 Ų | 10 | 58.7 Ų | 58.7 | 6% | 0.061 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -126.2 | 142.2 | -173.1 | 176.2 | 0 | 0 | 0 | 0 | 109.9 | F70 E80 L84 L113 P119 I122 | F70-V117 HydrophobicContact CE2-CG2 4.33Å; F70-V117 HydrophobicContact CZ-CG2 3.73Å; E80-V117 HydrophobicContact CG-CG1 4.32Å; L84-V117 HydrophobicContact CD1-CG1 3.56Å; L84-V117 HydrophobicContact CD2-CG1 4.11Å; L84-V117 HydrophobicContact CG-CG1 3.98Å; L113-V117 HydrophobicContact CB-CG2 4.5Å; L113-V117 PolarHBondContact O-N 3.37Å; V117-P119 WeakPolarHBondContact O-CD 3.32Å; V117-I122 HydrophobicContact CB-CD1 4.21Å; V117-I122 HydrophobicContact CG1-CD1 4Å; V117-I122 HydrophobicContact CG1-CG1 3.87Å |
| 118 | N | 80.4 | Confident | 81.8 | Confident | 77 Ų | 77 | 58.9 Ų | 58.9 | 41% | 0.412 | 29% | 0.292 | S | S | . | . | trans | -59.3 | 118.3 | 175.3 | -178.9 | -7.1 | 0 | 0 | 0 | 110.8 | E80 A120 L121 I122 | E80-N118 WeakPolarHBondContact OE1-CB 3.4Å; E80-N118 PolarHBondContact OE1-N 2.99Å; N118-A120 PolarHBondContact O-N 2.97Å; N118-A120 VanDerWaalsContact O-N 3.12Å; N118-A120 WeakPolarHBondContact OD1-CB 3.4Å; N118-A120 PolarHBondContact OD1-N 3.28Å; N118-L121 HydrophobicContact CB-CD1 4.2Å; N118-L121 HydrophobicContact CB-CG 4.29Å; N118-L121 PolarHBondContact O-N 2.89Å; N118-L121 VanDerWaalsContact O-N 3.13Å; N118-I122 PolarHBondContact O-N 3.43Å | ||
| 119 | P | 79.8 | Confident | 81.7 | Confident | 73 Ų | 73 | 55.9 Ų | 55.9 | 47% | 0.474 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.2 | -23.2 | -177.3 | 25.5 | -35.1 | 0 | 0 | 0 | 113.4 | V117 I122 M123 F136 | V117-P119 WeakPolarHBondContact O-CD 3.32Å; P119-I122 PolarHBondContact O-N 2.96Å; P119-M123 WeakPolarHBondContact O-CG 3.44Å; P119-M123 PolarHBondContact O-N 2.98Å; P119-M123 VanDerWaalsContact O-N 3.09Å; P119-F136 HydrophobicContact CB-CE1 3.79Å |
| 120 | A | 80.7 | Confident | 81.5 | Confident | 57 Ų | 57 | 56.2 Ų | 56.2 | 47% | 0.471 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.5 | -43 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N118 I122 M123 E124 | N118-A120 PolarHBondContact O-N 2.97Å; N118-A120 VanDerWaalsContact O-N 3.12Å; N118-A120 WeakPolarHBondContact OD1-CB 3.4Å; N118-A120 PolarHBondContact OD1-N 3.28Å; A120-I122 VanDerWaalsContact C-N 3.35Å; A120-M123 PolarHBondContact O-N 3.2Å; A120-E124 WeakPolarHBondContact O-CB 3.5Å; A120-E124 PolarHBondContact O-N 3.23Å |
| 121 | L | 80.8 | Confident | 81.5 | Confident | 36 Ų | 36 | 56.3 Ų | 56.3 | 19% | 0.188 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -71.9 | -30.1 | -179.3 | -59.3 | 174.2 | 0 | 0 | 0 | 112.1 | L84 N118 E124 R125 | L84-L121 HydrophobicContact CD1-CB 3.39Å; L84-L121 HydrophobicContact CD1-CD1 3.82Å; L84-L121 HydrophobicContact CD1-CG 4.26Å; N118-L121 HydrophobicContact CB-CD1 4.2Å; N118-L121 HydrophobicContact CB-CG 4.29Å; N118-L121 PolarHBondContact O-N 2.89Å; N118-L121 VanDerWaalsContact O-N 3.13Å; L121-E124 PolarHBondContact O-N 2.8Å; L121-R125 PolarHBondContact O-N 2.89Å |
| 122 | I | 81.3 | Confident | 81.5 | Confident | 4 Ų | 4 | 54.3 Ų | 54.3 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.4 | -48.7 | 170.9 | -61.4 | 173.2 | 0 | 0 | 0 | 109.6 | L84 V117 N118 P119 A120 E124 R125 F126 L131 F136 | L84-I122 HydrophobicContact CD2-CG1 4.1Å; V117-I122 HydrophobicContact CB-CD1 4.21Å; V117-I122 HydrophobicContact CG1-CD1 4Å; V117-I122 HydrophobicContact CG1-CG1 3.87Å; N118-I122 PolarHBondContact O-N 3.43Å; P119-I122 PolarHBondContact O-N 2.96Å; A120-I122 VanDerWaalsContact C-N 3.35Å; I122-E124 VanDerWaalsContact C-N 3.29Å; I122-E124 PolarHBondContact O-N 3.11Å; I122-R125 PolarHBondContact O-N 3.03Å; I122-F126 HydrophobicContact CG2-CD2 3.92Å; I122-F126 HydrophobicContact CG2-CE2 4.28Å; I122-F126 HydrophobicContact CG2-CG 4.34Å; I122-F126 PolarHBondContact O-N 2.95Å; I122-F126 VanDerWaalsContact O-N 3.07Å; I122-L131 HydrophobicContact CG2-CD2 4.07Å; I122-F136 HydrophobicContact CB-CZ 4.32Å; I122-F136 HydrophobicContact CD1-CZ 3.98Å; I122-F136 HydrophobicContact CG2-CD2 4.34Å; I122-F136 HydrophobicContact CG2-CE1 4.41Å; I122-F136 HydrophobicContact CG2-CE2 3.88Å; I122-F136 HydrophobicContact CG2-CZ 3.91Å |
| 123 | M | 81.2 | Confident | 81.4 | Confident | 81 Ų | 81 | 57.6 Ų | 57.6 | 40% | 0.399 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -68.1 | -23.6 | 178.2 | -69.1 | -173.2 | 75.6 | 0 | 0 | 114.2 | P119 A120 L131 F136 I137 | P119-M123 WeakPolarHBondContact O-CG 3.44Å; P119-M123 PolarHBondContact O-N 2.98Å; P119-M123 VanDerWaalsContact O-N 3.09Å; A120-M123 PolarHBondContact O-N 3.2Å; M123-L131 HydrophobicContact CG-CD2 4.39Å; M123-F136 HydrophobicContact CG-CB 4.14Å; M123-F136 HydrophobicContact CG-CD1 3.64Å; M123-F136 HydrophobicContact CG-CE1 4.39Å; M123-F136 HydrophobicContact CG-CG 4.17Å; M123-F136 HydrophobicContact SD-CD1 4Å; M123-I137 HydrophobicContact CE-CG2 4.27Å |
| 124 | E | 81.1 | Confident | 81.2 | Confident | 139 Ų | 139 | 58.4 Ų | 58.4 | 65% | 0.65 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -75.4 | -36.3 | 176.4 | -174.8 | -178.1 | 170.9 | 0 | 0 | 112.4 | A120 L121 I122 | A120-E124 WeakPolarHBondContact O-CB 3.5Å; A120-E124 PolarHBondContact O-N 3.23Å; L121-E124 PolarHBondContact O-N 2.8Å; I122-E124 VanDerWaalsContact C-N 3.29Å; I122-E124 PolarHBondContact O-N 3.11Å |
| 125 | R | 82.8 | Confident | 81.2 | Confident | 50 Ų | 50 | 57.2 Ų | 57.2 | 19% | 0.189 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -106.5 | -41.8 | -167.5 | -60 | -174.2 | -171.2 | 177 | 5.1 | 114.6 | S81 D85 W88 L121 I122 | S81-R125 PolarHBondContact O-NH1 3.41Å; S81-R125 VanDerWaalsContact O-NH1 3.1Å; S81-R125 PolarHBondContact OG-NH1 3.09Å; S81-R125 VanDerWaalsContact OG-NH1 3.08Å; S81-R125 PolarHBondContact OG-NH2 2.82Å; D85-R125 IonicContact OD1-CZ 2.84Å; D85-R125 IonicContact OD1-NE 2.79Å; D85-R125 IonicContact OD1-NH1 2.66Å; D85-R125 PolarHBondContact OD1-NH1 2.93Å; D85-R125 IonicContact OD2-CZ 3.18Å; D85-R125 IonicContact OD2-NH1 3.92Å; D85-R125 PolarHBondContact OD2-NH1 2.94Å; W88-R125 HydrophobicContact CB-CB 4.41Å; W88-R125 HydrophobicContact CG-CB 4.33Å; W88-R125 PolarHBondContact NE1-O 3.39Å; W88-R125 VanDerWaalsContact NE1-O 3.1Å; L121-R125 PolarHBondContact O-N 2.89Å; I122-R125 PolarHBondContact O-N 3.03Å |
| 126 | F | 85 | Confident | 81.2 | Confident | 11 Ų | 11 | 52.8 Ų | 52.8 | 5% | 0.048 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -75.1 | 153.1 | -169.6 | -73.2 | 11.9 | 0 | 0 | 0 | 112.6 | L84 L87 W88 I110 I122 T130 L131 | L84-F126 HydrophobicContact CD2-CE1 3.96Å; L84-F126 HydrophobicContact CD2-CZ 4.09Å; L87-F126 HydrophobicContact CB-CE1 4.28Å; L87-F126 HydrophobicContact CB-CZ 3.99Å; W88-F126 HydrophobicContact CB-CD1 4.28Å; W88-F126 HydrophobicContact CB-CE1 4.17Å; I110-F126 HydrophobicContact CB-CE2 4.5Å; I110-F126 HydrophobicContact CD1-CE2 3.6Å; I110-F126 HydrophobicContact CD1-CZ 3.82Å; I110-F126 HydrophobicContact CG1-CE2 3.83Å; I110-F126 HydrophobicContact CG2-CE2 3.82Å; I122-F126 HydrophobicContact CG2-CD2 3.92Å; I122-F126 HydrophobicContact CG2-CE2 4.28Å; I122-F126 HydrophobicContact CG2-CG 4.34Å; I122-F126 PolarHBondContact O-N 2.95Å; I122-F126 VanDerWaalsContact O-N 3.07Å; F126-T130 HydrophobicContact CB-CG2 4.41Å; F126-T130 HydrophobicContact CD2-CG2 3.93Å; F126-L131 HydrophobicContact CB-CD2 4.1Å; F126-L131 HydrophobicContact CB-CG 4.22Å; F126-L131 WeakPolarHBondContact O-CD1 3.48Å |
| 127 | C | 82 | Confident | 81.2 | Confident | 42 Ų | 42 | 50.3 Ų | 50.3 | 28% | 0.284 | 28% | 0.276 | S | S | . | . | trans | -68 | 152.6 | -176.5 | 68.5 | 0 | 0 | 0 | 0 | 112.6 | D91 D129 T130 L131 | D91-C127 PolarHBondContact OD2-N 2.91Å; D91-C127 PolarHBondContact OD2-SG 3.47Å; C127-D129 PolarHBondContact O-N 3.49Å; C127-D129 VanDerWaalsContact O-N 3.16Å; C127-T130 PolarHBondContact O-N 2.68Å; C127-T130 VanDerWaalsContact O-N 3.08Å; C127-T130 VanDerWaalsContact SG-CB 3.59Å; C127-T130 PolarHBondContact SG-OG1 2.74Å; C127-T130 VanDerWaalsContact SG-OG1 3.36Å; C127-L131 WeakPolarHBondContact O-CG 3.19Å; C127-L131 PolarHBondContact O-N 3.23Å | ||
| 128 | E | 81.6 | Confident | 81.2 | Confident | 52 Ų | 52 | 58.5 Ų | 58.5 | 24% | 0.243 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -55 | -37.6 | -176.2 | -62.1 | -177.2 | 140.1 | 0 | 0 | 112.5 | L131 E132 I137 K140 Q144 | E128-L131 PolarHBondContact O-N 3.42Å; E128-E132 WeakPolarHBondContact O-CB 3.36Å; E128-E132 PolarHBondContact O-N 3.39Å; E128-I137 HydrophobicContact CB-CD1 4.32Å; E128-I137 WeakPolarHBondContact O-CD1 3.41Å; E128-K140 HydrophobicContact CB-CD 3.91Å; E128-K140 HydrophobicContact CB-CG 4Å; E128-K140 WeakPolarHBondContact OE2-CE 3.35Å; E128-K140 WeakPolarHBondContact OE2-CG 3.34Å; E128-Q144 VanDerWaalsContact OE1-CG 3.24Å; E128-Q144 WeakPolarHBondContact OE1-CG 3.46Å; E128-Q144 PolarHBondContact OE2-NE2 3.02Å |
| 129 | D | 81.7 | Confident | 81.2 | Confident | 74 Ų | 74 | 56.3 Ų | 56.3 | 40% | 0.396 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -69.4 | -39.2 | 179.5 | -54.1 | -85.5 | 0 | 0 | 0 | 112.3 | C127 E132 N133 K140 | C127-D129 PolarHBondContact O-N 3.49Å; C127-D129 VanDerWaalsContact O-N 3.16Å; D129-E132 PolarHBondContact O-N 3.14Å; D129-N133 PolarHBondContact O-N 3.16Å; D129-N133 PolarHBondContact O-ND2 2.75Å; D129-K140 IonicContact OD1-NZ 2.65Å; D129-K140 PolarHBondContact OD1-NZ 2.68Å; D129-K140 IonicContact OD2-NZ 3.87Å; D129-K140 PolarHBondContact OD2-NZ 3.14Å |
| 130 | T | 80.2 | Confident | 81.2 | Confident | 6 Ų | 6 | 55.5 Ų | 55.5 | 4% | 0.037 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.8 | -38.8 | 173.4 | -72.2 | 0 | 0 | 0 | 0 | 110.9 | D91 F106 Y107 F126 C127 E132 N133 L134 | D91-T130 VanDerWaalsContact OD1-CB 3.27Å; D91-T130 WeakPolarHBondContact OD1-CB 3.23Å; D91-T130 WeakPolarHBondContact OD1-CG2 3.46Å; D91-T130 PolarHBondContact OD1-OG1 3.35Å; F106-T130 HydrophobicContact CE1-CG2 4.45Å; Y107-T130 HydrophobicContact CE1-CG2 4.31Å; F126-T130 HydrophobicContact CB-CG2 4.41Å; F126-T130 HydrophobicContact CD2-CG2 3.93Å; C127-T130 PolarHBondContact O-N 2.68Å; C127-T130 VanDerWaalsContact O-N 3.08Å; C127-T130 VanDerWaalsContact SG-CB 3.59Å; C127-T130 PolarHBondContact SG-OG1 2.74Å; C127-T130 VanDerWaalsContact SG-OG1 3.36Å; T130-E132 VanDerWaalsContact C-N 3.33Å; T130-E132 PolarHBondContact O-N 2.97Å; T130-N133 PolarHBondContact O-N 2.93Å; T130-L134 HydrophobicContact CG2-CD1 3.57Å; T130-L134 HydrophobicContact CG2-CG 4.31Å; T130-L134 VanDerWaalsContact O-CB 3.28Å; T130-L134 WeakPolarHBondContact O-CB 3.45Å; T130-L134 VanDerWaalsContact O-CG 3.23Å; T130-L134 WeakPolarHBondContact O-CG 3.37Å; T130-L134 PolarHBondContact O-N 2.97Å |
| 131 | L | 83.2 | Confident | 81.2 | Confident | 5 Ų | 5 | 59.9 Ų | 59.9 | 3% | 0.026 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66 | -32.2 | 174.5 | -67.2 | 175.9 | 0 | 0 | 0 | 113.1 | I122 M123 F126 C127 E128 S135 F136 I137 | I122-L131 HydrophobicContact CG2-CD2 4.07Å; M123-L131 HydrophobicContact CG-CD2 4.39Å; F126-L131 HydrophobicContact CB-CD2 4.1Å; F126-L131 HydrophobicContact CB-CG 4.22Å; F126-L131 WeakPolarHBondContact O-CD1 3.48Å; C127-L131 WeakPolarHBondContact O-CG 3.19Å; C127-L131 PolarHBondContact O-N 3.23Å; E128-L131 PolarHBondContact O-N 3.42Å; L131-S135 PolarHBondContact O-N 2.85Å; L131-F136 HydrophobicContact CB-CB 4.19Å; L131-F136 HydrophobicContact CD2-CB 3.81Å; L131-F136 HydrophobicContact CD2-CD2 4.14Å; L131-F136 HydrophobicContact CD2-CG 4.06Å; L131-F136 PolarHBondContact O-N 2.62Å; L131-I137 HydrophobicContact CB-CD1 4.3Å; L131-I137 HydrophobicContact CB-CG1 4.1Å; L131-I137 HydrophobicContact CB-CG2 4.38Å; L131-I137 PolarHBondContact O-N 3.14Å |
| 132 | E | 84 | Confident | 81.2 | Confident | 71 Ų | 71 | 63 Ų | 63 | 33% | 0.332 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -71.9 | -47.8 | 175.3 | -168.9 | 163.3 | -120.2 | 0 | 0 | 110.8 | E128 D129 T130 L134 S135 I137 S139 K140 | E128-E132 WeakPolarHBondContact O-CB 3.36Å; E128-E132 PolarHBondContact O-N 3.39Å; D129-E132 PolarHBondContact O-N 3.14Å; T130-E132 VanDerWaalsContact C-N 3.33Å; T130-E132 PolarHBondContact O-N 2.97Å; E132-L134 VanDerWaalsContact C-N 3.32Å; E132-L134 PolarHBondContact O-N 3.02Å; E132-S135 PolarHBondContact O-N 2.81Å; E132-I137 HydrophobicContact CB-CD1 4.25Å; E132-I137 HydrophobicContact CB-CG1 3.95Å; E132-S139 WeakPolarHBondContact OE1-CA 3.42Å; E132-K140 PolarHBondContact OE1-N 2.74Å |
| 133 | N | 80.5 | Confident | 81.4 | Confident | 100 Ų | 100 | 66.8 Ų | 66.8 | 54% | 0.535 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.5 | -35.4 | 176.1 | -77.2 | -78.3 | 0 | 0 | 0 | 113 | Y107 D129 T130 S135 | Y107-N133 HydrophobicContact CD2-CB 4.46Å; Y107-N133 HydrophobicContact CE1-CB 4.4Å; Y107-N133 HydrophobicContact CE2-CB 4.04Å; D129-N133 PolarHBondContact O-N 3.16Å; D129-N133 PolarHBondContact O-ND2 2.75Å; T130-N133 PolarHBondContact O-N 2.93Å; N133-S135 VanDerWaalsContact C-N 3.28Å; N133-S135 PolarHBondContact O-N 2.94Å |
| 134 | L | 77.8 | Confident | 81.4 | Confident | 20 Ų | 20 | 67 Ų | 67 | 11% | 0.105 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 4.2 | 176 | -66.1 | 171 | 0 | 0 | 0 | 114 | I110 T130 E132 F136 | I110-L134 HydrophobicContact CB-CD1 4.06Å; I110-L134 HydrophobicContact CB-CD2 4.38Å; I110-L134 HydrophobicContact CG2-CD1 3.45Å; I110-L134 VanDerWaalsContact CG2-CD1 3.45Å; I110-L134 HydrophobicContact CG2-CD2 4.33Å; T130-L134 HydrophobicContact CG2-CD1 3.57Å; T130-L134 HydrophobicContact CG2-CG 4.31Å; T130-L134 VanDerWaalsContact O-CB 3.28Å; T130-L134 WeakPolarHBondContact O-CB 3.45Å; T130-L134 VanDerWaalsContact O-CG 3.23Å; T130-L134 WeakPolarHBondContact O-CG 3.37Å; T130-L134 PolarHBondContact O-N 2.97Å; E132-L134 VanDerWaalsContact C-N 3.32Å; E132-L134 PolarHBondContact O-N 3.02Å; L134-F136 VanDerWaalsContact C-N 3.29Å; L134-F136 HydrophobicContact CB-CD2 3.7Å; L134-F136 HydrophobicContact CB-CE2 4.04Å; L134-F136 HydrophobicContact CD1-CE2 4.47Å; L134-F136 PolarHBondContact O-N 3.39Å |
| 135 | S | 80.6 | Confident | 81.5 | Confident | 97 Ų | 97 | 63.6 Ų | 63.6 | 68% | 0.678 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 29.3 | -179.8 | -55.4 | 0 | 0 | 0 | 0 | 115.5 | L131 E132 N133 | L131-S135 PolarHBondContact O-N 2.85Å; E132-S135 PolarHBondContact O-N 2.81Å; N133-S135 VanDerWaalsContact C-N 3.28Å; N133-S135 PolarHBondContact O-N 2.94Å |
| 136 | F | 79.3 | Confident | 81.5 | Confident | 37 Ų | 37 | 69.7 Ų | 69.7 | 16% | 0.162 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -80.9 | -29 | 168.8 | -79.1 | -85.8 | 0 | 0 | 0 | 112.6 | R114 P119 I122 M123 L131 L134 | R114-F136 HydrophobicContact CG-CZ 4.32Å; P119-F136 HydrophobicContact CB-CE1 3.79Å; I122-F136 HydrophobicContact CB-CZ 4.32Å; I122-F136 HydrophobicContact CD1-CZ 3.98Å; I122-F136 HydrophobicContact CG2-CD2 4.34Å; I122-F136 HydrophobicContact CG2-CE1 4.41Å; I122-F136 HydrophobicContact CG2-CE2 3.88Å; I122-F136 HydrophobicContact CG2-CZ 3.91Å; M123-F136 HydrophobicContact CG-CB 4.14Å; M123-F136 HydrophobicContact CG-CD1 3.64Å; M123-F136 HydrophobicContact CG-CE1 4.39Å; M123-F136 HydrophobicContact CG-CG 4.17Å; M123-F136 HydrophobicContact SD-CD1 4Å; L131-F136 HydrophobicContact CB-CB 4.19Å; L131-F136 HydrophobicContact CD2-CB 3.81Å; L131-F136 HydrophobicContact CD2-CD2 4.14Å; L131-F136 HydrophobicContact CD2-CG 4.06Å; L131-F136 PolarHBondContact O-N 2.62Å; L134-F136 VanDerWaalsContact C-N 3.29Å; L134-F136 HydrophobicContact CB-CD2 3.7Å; L134-F136 HydrophobicContact CB-CE2 4.04Å; L134-F136 HydrophobicContact CD1-CE2 4.47Å; L134-F136 PolarHBondContact O-N 3.39Å |
| 137 | I | 81 | Confident | 81.4 | Confident | 15 Ų | 15 | 75.2 Ų | 75.2 | 8% | 0.077 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -120.2 | 142.6 | 170.7 | 64.8 | 175.2 | 0 | 0 | 0 | 110.7 | M123 E128 L131 E132 K140 F143 | M123-I137 HydrophobicContact CE-CG2 4.27Å; E128-I137 HydrophobicContact CB-CD1 4.32Å; E128-I137 WeakPolarHBondContact O-CD1 3.41Å; L131-I137 HydrophobicContact CB-CD1 4.3Å; L131-I137 HydrophobicContact CB-CG1 4.1Å; L131-I137 HydrophobicContact CB-CG2 4.38Å; L131-I137 PolarHBondContact O-N 3.14Å; E132-I137 HydrophobicContact CB-CD1 4.25Å; E132-I137 HydrophobicContact CB-CG1 3.95Å; I137-K140 HydrophobicContact CD1-CB 4.47Å; I137-F143 HydrophobicContact CD1-CB 4.45Å; I137-F143 HydrophobicContact CG2-CD2 4.1Å; I137-F143 HydrophobicContact CG2-CG 4.39Å |
| 138 | Q | 79.2 | Confident | 81.3 | Confident | 182 Ų | 182 | 77.2 Ų | 77.2 | 85% | 0.85 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -76.6 | -28.5 | -179.9 | -68 | -179 | -15.9 | 0 | 0 | 113.5 | ||
| 139 | S | 80.7 | Confident | 81.3 | Confident | 31 Ų | 31 | 83.5 Ų | 83.5 | 22% | 0.217 | 40% | 0.399 | C | S | . | . | trans | -167.1 | 127.3 | 178.1 | 175.5 | 0 | 0 | 0 | 0 | 110.1 | E132 Q141 Q142 F143 | E132-S139 WeakPolarHBondContact OE1-CA 3.42Å; S139-Q141 VanDerWaalsContact C-N 3.29Å; S139-Q141 PolarHBondContact O-N 3.01Å; S139-Q141 PolarHBondContact OG-N 2.89Å; S139-Q142 PolarHBondContact O-N 3.4Å; S139-F143 PolarHBondContact O-N 2.89Å; S139-F143 VanDerWaalsContact O-N 3.09Å | ||
| 140 | K | 80.5 | Confident | 81.2 | Confident | 56 Ų | 56 | 83.1 Ų | 83.1 | 24% | 0.243 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -50.8 | -45.6 | 173.6 | -177.8 | 162.8 | 172.8 | 172.5 | 0 | 112.4 | E128 D129 E132 I137 Q142 F143 Q144 | E128-K140 HydrophobicContact CB-CD 3.91Å; E128-K140 HydrophobicContact CB-CG 4Å; E128-K140 WeakPolarHBondContact OE2-CE 3.35Å; E128-K140 WeakPolarHBondContact OE2-CG 3.34Å; D129-K140 IonicContact OD1-NZ 2.65Å; D129-K140 PolarHBondContact OD1-NZ 2.68Å; D129-K140 IonicContact OD2-NZ 3.87Å; D129-K140 PolarHBondContact OD2-NZ 3.14Å; E132-K140 PolarHBondContact OE1-N 2.74Å; I137-K140 HydrophobicContact CD1-CB 4.47Å; K140-Q142 PolarHBondContact O-N 3.38Å; K140-F143 PolarHBondContact O-N 3.07Å; K140-Q144 WeakPolarHBondContact O-CG 3.33Å; K140-Q144 PolarHBondContact O-N 3.12Å |
| 141 | Q | 80 | Confident | 81.1 | Confident | 148 Ų | 148 | 87 Ų | 87 | 69% | 0.692 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -64.9 | -38 | -179.6 | -167.1 | -179.7 | 23.7 | 0 | 0 | 113.3 | S139 T145 | S139-Q141 VanDerWaalsContact C-N 3.29Å; S139-Q141 PolarHBondContact O-N 3.01Å; S139-Q141 PolarHBondContact OG-N 2.89Å; Q141-T145 WeakPolarHBondContact O-CB 3.34Å; Q141-T145 PolarHBondContact O-N 3.47Å; Q141-T145 PolarHBondContact O-OG1 2.89Å |
| 142 | Q | 82.5 | Confident | 80.8 | Confident | 103 Ų | 103 | 90.3 Ų | 90.3 | 48% | 0.481 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -71.4 | -38.5 | 177.1 | -66.4 | -167.3 | 31.4 | 0 | 0 | 112 | S139 K140 T145 R146 | S139-Q142 PolarHBondContact O-N 3.4Å; K140-Q142 PolarHBondContact O-N 3.38Å; Q142-T145 PolarHBondContact O-N 2.86Å; Q142-R146 WeakPolarHBondContact O-CG 3.37Å; Q142-R146 PolarHBondContact O-N 3.49Å; Q142-R146 VanDerWaalsContact O-N 3.1Å |
| 143 | F | 83.4 | Confident | 80.6 | Confident | 82 Ų | 82 | 95.3 Ų | 95.3 | 36% | 0.36 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62 | -52.2 | 177.1 | -175.9 | -101.7 | 0 | 0 | 0 | 111.1 | I137 S139 K140 T145 R146 Y147 | I137-F143 HydrophobicContact CD1-CB 4.45Å; I137-F143 HydrophobicContact CG2-CD2 4.1Å; I137-F143 HydrophobicContact CG2-CG 4.39Å; S139-F143 PolarHBondContact O-N 2.89Å; S139-F143 VanDerWaalsContact O-N 3.09Å; K140-F143 PolarHBondContact O-N 3.07Å; F143-T145 VanDerWaalsContact C-N 3.31Å; F143-T145 PolarHBondContact O-N 3.31Å; F143-R146 PolarHBondContact O-N 3.04Å; F143-R146 VanDerWaalsContact O-N 3.09Å; F143-Y147 PolarHBondContact O-N 3.34Å |
| 144 | Q | 82.6 | Confident | 80.4 | Confident | 87 Ų | 87 | 96.1 Ų | 96.1 | 41% | 0.407 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -55 | -43.8 | 175.5 | -70.3 | -179.4 | 0.2 | 0 | 0 | 112.4 | E128 K140 R146 Y147 V148 | E128-Q144 VanDerWaalsContact OE1-CG 3.24Å; E128-Q144 WeakPolarHBondContact OE1-CG 3.46Å; E128-Q144 PolarHBondContact OE2-NE2 3.02Å; K140-Q144 WeakPolarHBondContact O-CG 3.33Å; K140-Q144 PolarHBondContact O-N 3.12Å; Q144-R146 VanDerWaalsContact C-N 3.33Å; Q144-R146 PolarHBondContact O-N 3.26Å; Q144-Y147 PolarHBondContact O-N 2.79Å; Q144-V148 WeakPolarHBondContact O-CG2 3.35Å; Q144-V148 PolarHBondContact O-N 3.37Å |
| 145 | T | 82.1 | Confident | 80.4 | Confident | 67 Ų | 67 | 102.4 Ų | 102.4 | 41% | 0.411 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61 | -39.8 | 178 | -57.7 | 0 | 0 | 0 | 0 | 112.3 | Q141 Q142 F143 R149 | Q141-T145 WeakPolarHBondContact O-CB 3.34Å; Q141-T145 PolarHBondContact O-N 3.47Å; Q141-T145 PolarHBondContact O-OG1 2.89Å; Q142-T145 PolarHBondContact O-N 2.86Å; F143-T145 VanDerWaalsContact C-N 3.31Å; F143-T145 PolarHBondContact O-N 3.31Å; T145-R149 WeakPolarHBondContact O-CG 3.45Å; T145-R149 PolarHBondContact O-N 3.19Å |
| 146 | R | 84.5 | Confident | 80.1 | Confident | 178 Ų | 178 | 105.2 Ų | 105.2 | 67% | 0.672 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -72 | -40.4 | 175.6 | -70.8 | -176.7 | -178.8 | -161.7 | 3.3 | 112.2 | Q142 F143 Q144 T150 | Q142-R146 WeakPolarHBondContact O-CG 3.37Å; Q142-R146 PolarHBondContact O-N 3.49Å; Q142-R146 VanDerWaalsContact O-N 3.1Å; F143-R146 PolarHBondContact O-N 3.04Å; F143-R146 VanDerWaalsContact O-N 3.09Å; Q144-R146 VanDerWaalsContact C-N 3.33Å; Q144-R146 PolarHBondContact O-N 3.26Å; R146-T150 WeakPolarHBondContact O-CB 3.41Å; R146-T150 PolarHBondContact O-N 3.32Å; R146-T150 PolarHBondContact O-OG1 3Å |
| 147 | Y | 82.9 | Confident | 79.9 | Confident | 127 Ų | 127 | 111.3 Ų | 111.3 | 50% | 0.498 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.4 | -51.9 | 176.1 | 174.9 | -94 | 0 | 0 | 0 | 111.1 | F143 Q144 R149 T150 K151 | F143-Y147 PolarHBondContact O-N 3.34Å; Q144-Y147 PolarHBondContact O-N 2.79Å; Y147-R149 PolarHBondContact O-N 3.46Å; Y147-T150 PolarHBondContact O-N 2.92Å; Y147-K151 HydrophobicContact CE1-CD 3.74Å; Y147-K151 WeakPolarHBondContact O-CB 3.45Å; Y147-K151 PolarHBondContact O-N 2.99Å; Y147-K151 PolarHBondContact OH-NZ 2.96Å |
| 148 | V | 78.3 | Confident | 79.4 | Confident | 83 Ų | 83 | 117 Ų | 117 | 50% | 0.503 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -57.6 | -52.5 | 178.5 | 172 | 0 | 0 | 0 | 0 | 110.9 | Q144 T150 K151 T152 | Q144-V148 WeakPolarHBondContact O-CG2 3.35Å; Q144-V148 PolarHBondContact O-N 3.37Å; V148-T150 VanDerWaalsContact C-N 3.27Å; V148-T150 PolarHBondContact O-N 3.25Å; V148-K151 PolarHBondContact O-N 2.81Å; V148-K151 VanDerWaalsContact O-N 3.15Å; V148-T152 PolarHBondContact O-N 2.88Å; V148-T152 PolarHBondContact O-OG1 3.43Å; V148-T152 VanDerWaalsContact O-OG1 3.06Å |
| 149 | R | 81.5 | Confident | 79.2 | Confident | 184 Ų | 184 | 116.3 Ų | 116.3 | 69% | 0.694 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -56.8 | -39.8 | 178.7 | -73.1 | 175.6 | 178.7 | -169.5 | -0.2 | 112.8 | T145 Y147 R153 | T145-R149 WeakPolarHBondContact O-CG 3.45Å; T145-R149 PolarHBondContact O-N 3.19Å; Y147-R149 PolarHBondContact O-N 3.46Å; R149-R153 WeakPolarHBondContact O-CB 3.46Å; R149-R153 PolarHBondContact O-N 2.89Å |
| 150 | T | 80.4 | Confident | 79.2 | Confident | 66 Ų | 66 | 118.9 Ų | 118.9 | 41% | 0.405 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -70 | -41.5 | 179.2 | -53.1 | 0 | 0 | 0 | 0 | 111.2 | R146 Y147 V148 R153 L154 | R146-T150 WeakPolarHBondContact O-CB 3.41Å; R146-T150 PolarHBondContact O-N 3.32Å; R146-T150 PolarHBondContact O-OG1 3Å; Y147-T150 PolarHBondContact O-N 2.92Å; V148-T150 VanDerWaalsContact C-N 3.27Å; V148-T150 PolarHBondContact O-N 3.25Å; T150-R153 PolarHBondContact O-N 3.12Å; T150-L154 HydrophobicContact CG2-CD1 4.03Å; T150-L154 WeakPolarHBondContact O-CB 3.49Å; T150-L154 WeakPolarHBondContact O-CG 3.47Å; T150-L154 PolarHBondContact O-N 3.44Å |
| 151 | K | 79.1 | Confident | 79.6 | Confident | 89 Ų | 89 | 119.3 Ų | 119.3 | 39% | 0.387 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.9 | -43.5 | 176.2 | -163.5 | 172.5 | -169.9 | 169.1 | 0 | 111.9 | Y147 V148 R153 L154 F155 | Y147-K151 HydrophobicContact CE1-CD 3.74Å; Y147-K151 WeakPolarHBondContact O-CB 3.45Å; Y147-K151 PolarHBondContact O-N 2.99Å; Y147-K151 PolarHBondContact OH-NZ 2.96Å; V148-K151 PolarHBondContact O-N 2.81Å; V148-K151 VanDerWaalsContact O-N 3.15Å; K151-R153 PolarHBondContact O-N 3.48Å; K151-L154 PolarHBondContact O-N 3.49Å; K151-F155 HydrophobicContact CG-CD2 3.79Å; K151-F155 HydrophobicContact CG-CE2 4.21Å; K151-F155 WeakPolarHBondContact O-CD2 3.41Å; K151-F155 PolarHBondContact O-N 3.24Å |
| 152 | T | 76.3 | Confident | 79.9 | Confident | 74 Ų | 74 | 116 Ų | 116 | 45% | 0.454 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -57.6 | -46.9 | 172.1 | -55.6 | 0 | 0 | 0 | 0 | 111.2 | V148 L154 F156 K157 | V148-T152 PolarHBondContact O-N 2.88Å; V148-T152 PolarHBondContact O-OG1 3.43Å; V148-T152 VanDerWaalsContact O-OG1 3.06Å; T152-L154 VanDerWaalsContact C-N 3.35Å; T152-L154 PolarHBondContact O-N 3.29Å; T152-F156 HydrophobicContact CG2-CB 4.32Å; T152-F156 WeakPolarHBondContact O-CA 3.35Å; T152-F156 WeakPolarHBondContact O-CB 3.49Å; T152-F156 PolarHBondContact O-N 3.25Å; T152-K157 PolarHBondContact O-N 2.97Å |
| 153 | R | 79.6 | Confident | 80.1 | Confident | 175 Ų | 175 | 114.5 Ų | 114.5 | 66% | 0.66 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.7 | -36.4 | 179.4 | -168.5 | -176.7 | 71.2 | 174.2 | 2.2 | 113.4 | R149 T150 K151 | R149-R153 WeakPolarHBondContact O-CB 3.46Å; R149-R153 PolarHBondContact O-N 2.89Å; T150-R153 PolarHBondContact O-N 3.12Å; K151-R153 PolarHBondContact O-N 3.48Å |
| 154 | L | 75.9 | Confident | 80.3 | Confident | 117 Ų | 117 | 114.2 Ų | 114.2 | 61% | 0.613 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -80.9 | -38.9 | -177.1 | -75 | 170.5 | 0 | 0 | 0 | 113.8 | T150 K151 T152 | T150-L154 HydrophobicContact CG2-CD1 4.03Å; T150-L154 WeakPolarHBondContact O-CB 3.49Å; T150-L154 WeakPolarHBondContact O-CG 3.47Å; T150-L154 PolarHBondContact O-N 3.44Å; K151-L154 PolarHBondContact O-N 3.49Å; T152-L154 VanDerWaalsContact C-N 3.35Å; T152-L154 PolarHBondContact O-N 3.29Å |
| 155 | F | 77.1 | Confident | 80.7 | Confident | 153 Ų | 153 | 118.9 Ų | 118.9 | 67% | 0.671 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -111.5 | -13.5 | -169.5 | -64.1 | -78.3 | 0 | 0 | 0 | 114.8 | K151 | K151-F155 HydrophobicContact CG-CD2 3.79Å; K151-F155 HydrophobicContact CG-CE2 4.21Å; K151-F155 WeakPolarHBondContact O-CD2 3.41Å; K151-F155 PolarHBondContact O-N 3.24Å |
| 156 | F | 76 | Confident | 80.9 | Confident | 155 Ų | 155 | 119.5 Ų | 119.5 | 68% | 0.68 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -126.7 | -1.8 | -171.2 | -59.7 | -97.2 | 0 | 0 | 0 | 114.4 | T152 Q158 | T152-F156 HydrophobicContact CG2-CB 4.32Å; T152-F156 WeakPolarHBondContact O-CA 3.35Å; T152-F156 WeakPolarHBondContact O-CB 3.49Å; T152-F156 PolarHBondContact O-N 3.25Å; F156-Q158 PolarHBondContact O-N 3.4Å |
| 157 | K | 73.7 | Confident | 81.1 | Confident | 165 Ų | 165 | 113.8 Ų | 113.8 | 72% | 0.717 | 52% | 0.519 | S | S | * | . | trans | -81.2 | 116.3 | 171.5 | -166 | -161.8 | 174.1 | -166.7 | 0 | 109.5 | T152 | T152-K157 PolarHBondContact O-N 2.97Š| ||
| 158 | Q | 71.4 | Confident | 81.5 | Confident | 134 Ų | 134 | 112.9 Ų | 112.9 | 63% | 0.626 | 52% | 0.522 | S | S | * | . | trans | -65.8 | 142.1 | 169.3 | -64.5 | -175.2 | 13.3 | 0 | 0 | 110.5 | F156 K160 | F156-Q158 PolarHBondContact O-N 3.4Å; Q158-K160 PolarHBondContact O-N 3.11Å | ||
| 159 | Q | 75.3 | Confident | 82.2 | Confident | 168 Ų | 168 | 114 Ų | 114 | 79% | 0.785 | 52% | 0.522 | S | S | * | . | trans | -85.3 | 95.8 | 163.7 | -72.9 | 177.9 | -25.1 | 0 | 0 | 107.2 | ||||
| 160 | K | 81.2 | Confident | 82.7 | Confident | 85 Ų | 85 | 105.3 Ų | 105.3 | 37% | 0.37 | 49% | 0.489 | S | S | . | . | trans | -146.1 | 146 | 170.8 | -75 | -179.5 | 179.2 | 160.4 | 0 | 108.2 | Q158 D202 | Q158-K160 PolarHBondContact O-N 3.11Å; K160-D202 WeakPolarHBondContact CA-O 3.33Å | ||
| 161 | F | 87.2 | Confident | 83.3 | Confident | 66 Ų | 66 | 102.3 Ų | 102.3 | 29% | 0.289 | 47% | 0.471 | S | S | . | . | B | Isolated β-bridge | trans | -109.1 | 103.8 | -175.7 | -57.2 | -70.5 | 0 | 0 | 0 | 109.4 | E166 E167 Y171 F201 D202 D204 | F161-E166 HydrophobicContact CB-CB 3.95Å; F161-E166 HydrophobicContact CD1-CB 3.83Å; F161-E166 HydrophobicContact CG-CB 4.28Å; F161-E167 HydrophobicContact CB-CB 4.02Å; F161-E167 HydrophobicContact CB-CG 3.77Å; F161-E167 HydrophobicContact CD1-CG 4.22Å; F161-E167 HydrophobicContact CD2-CB 4.4Å; F161-E167 HydrophobicContact CD2-CG 3.34Å; F161-E167 HydrophobicContact CE2-CG 3.89Å; F161-E167 HydrophobicContact CG-CB 4.31Å; F161-E167 HydrophobicContact CG-CG 3.5Å; F161-Y171 PolarHBondContact O-OH 3.06Å; F161-F201 WeakPolarHBondContact CD2-O 3.5Å; F161-D202 HydrophobicContact CD2-CB 3.84Å; F161-D202 HydrophobicContact CE2-CB 3.92Å; F161-D202 PolarHBondContact N-O 3.4Å; F161-D204 PolarHBondContact O-N 2.99Å; F161-D204 VanDerWaalsContact O-N 3.16Å |
| 162 | N | 86.6 | Confident | 84 | Confident | 79 Ų | 79 | 100.6 Ų | 100.6 | 42% | 0.422 | 47% | 0.473 | S | S | . | . | trans | -93 | -23.5 | -174.2 | -174.9 | 13.6 | 0 | 0 | 0 | 111.5 | E166 D204 R207 | N162-E166 PolarHBondContact N-OE2 2.73Å; N162-E166 VanDerWaalsContact N-OE2 3.12Å; N162-D204 HydrophobicContact CB-CB 3.9Å; N162-R207 VanDerWaalsContact O-CD 3.28Å; N162-R207 WeakPolarHBondContact O-CD 3.38Å; N162-R207 VanDerWaalsContact O-CG 3.29Å; N162-R207 WeakPolarHBondContact O-CG 3.09Å | ||
| 163 | L | 87.4 | Confident | 84.8 | Confident | 70 Ų | 70 | 101.4 Ų | 101.4 | 37% | 0.366 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -100.1 | 135.1 | -177.4 | -56.8 | 174.8 | 0 | 0 | 0 | 110.4 | R165 E166 | L163-R165 HydrophobicContact CB-CG 4.26Å; L163-R165 PolarHBondContact O-N 3.19Å; L163-E166 HydrophobicContact CB-CG 4Å; L163-E166 PolarHBondContact N-OE2 3.12Å; L163-E166 VanDerWaalsContact O-CB 3.32Å; L163-E166 WeakPolarHBondContact O-CB 3.48Å; L163-E166 PolarHBondContact O-N 3.2Å |
| 164 | L | 87.7 | Confident | 85.4 | Confident | 77 Ų | 77 | 93.1 Ų | 93.1 | 40% | 0.403 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -35.2 | -178 | -58.7 | 177.9 | 0 | 0 | 0 | 113.3 | E166 N168 Y171 L211 | L164-E166 VanDerWaalsContact C-N 3.26Å; L164-E166 PolarHBondContact O-N 2.8Å; L164-N168 WeakPolarHBondContact O-CA 3.4Å; L164-N168 PolarHBondContact O-N 3.39Å; L164-N168 PolarHBondContact O-OD1 2.88Å; L164-Y171 HydrophobicContact CD2-CD1 3.77Å; L164-Y171 HydrophobicContact CD2-CD2 3.92Å; L164-Y171 HydrophobicContact CD2-CE1 4.34Å; L164-Y171 HydrophobicContact CD2-CE2 4.47Å; L164-Y171 HydrophobicContact CD2-CG 3.55Å; L164-L211 HydrophobicContact CD2-CD1 4.23Å |
| 165 | R | 89.8 | Confident | 86.2 | Confident | 184 Ų | 184 | 90.7 Ų | 90.7 | 69% | 0.694 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -17.1 | 178.7 | 70.8 | 170.6 | -175.3 | -101.7 | -4.1 | 115 | L163 N168 | L163-R165 HydrophobicContact CB-CG 4.26Å; L163-R165 PolarHBondContact O-N 3.19Å; R165-N168 WeakPolarHBondContact CA-OD1 3.25Å; R165-N168 PolarHBondContact O-ND2 3.27Å |
| 166 | E | 88.1 | Confident | 86.9 | Confident | 80 Ų | 80 | 87 Ų | 87 | 37% | 0.374 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -49 | -178.3 | -65.5 | 172.2 | 152.4 | 0 | 0 | 109.8 | F161 N162 L163 L164 | F161-E166 HydrophobicContact CB-CB 3.95Å; F161-E166 HydrophobicContact CD1-CB 3.83Å; F161-E166 HydrophobicContact CG-CB 4.28Å; N162-E166 PolarHBondContact N-OE2 2.73Å; N162-E166 VanDerWaalsContact N-OE2 3.12Å; L163-E166 HydrophobicContact CB-CG 4Å; L163-E166 PolarHBondContact N-OE2 3.12Å; L163-E166 VanDerWaalsContact O-CB 3.32Å; L163-E166 WeakPolarHBondContact O-CB 3.48Å; L163-E166 PolarHBondContact O-N 3.2Å; L164-E166 VanDerWaalsContact C-N 3.26Å; L164-E166 PolarHBondContact O-N 2.8Å |
| 167 | E | 87.8 | Confident | 87.5 | Confident | 59 Ų | 59 | 81.9 Ų | 81.9 | 28% | 0.276 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -127.7 | 69.5 | 177.3 | -79.8 | -59.7 | 154 | 0 | 0 | 112.6 | F161 E169 G170 Y171 L203 | F161-E167 HydrophobicContact CB-CB 4.02Å; F161-E167 HydrophobicContact CB-CG 3.77Å; F161-E167 HydrophobicContact CD1-CG 4.22Å; F161-E167 HydrophobicContact CD2-CB 4.4Å; F161-E167 HydrophobicContact CD2-CG 3.34Å; F161-E167 HydrophobicContact CE2-CG 3.89Å; F161-E167 HydrophobicContact CG-CB 4.31Å; F161-E167 HydrophobicContact CG-CG 3.5Å; E167-E169 VanDerWaalsContact C-N 3.26Å; E167-E169 PolarHBondContact O-N 3.03Å; E167-G170 PolarHBondContact O-N 3.17Å; E167-Y171 VanDerWaalsContact O-CD2 3.32Å; E167-Y171 WeakPolarHBondContact O-CD2 3.38Å; E167-Y171 PolarHBondContact O-N 3.17Å; E167-L203 HydrophobicContact CB-CD2 4.06Å |
| 168 | N | 91.9 | Very high | 88.3 | Confident | 107 Ų | 107 | 74 Ų | 74 | 57% | 0.572 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -55.2 | -37.1 | -174.8 | -56.7 | -92.6 | 0 | 0 | 0 | 113.2 | L164 R165 A172 | L164-N168 WeakPolarHBondContact O-CA 3.4Å; L164-N168 PolarHBondContact O-N 3.39Å; L164-N168 PolarHBondContact O-OD1 2.88Å; R165-N168 WeakPolarHBondContact CA-OD1 3.25Å; R165-N168 PolarHBondContact O-ND2 3.27Å; N168-A172 VanDerWaalsContact O-CB 3.23Å; N168-A172 WeakPolarHBondContact O-CB 3.48Å; N168-A172 PolarHBondContact O-N 3.03Å |
| 169 | E | 92.3 | Very high | 89 | Confident | 108 Ų | 108 | 71 Ų | 71 | 51% | 0.505 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -71.3 | -46 | -177.2 | -171.6 | -176.5 | 150 | 0 | 0 | 112.3 | E167 Y171 A172 K173 F201 | E167-E169 VanDerWaalsContact C-N 3.26Å; E167-E169 PolarHBondContact O-N 3.03Å; E169-Y171 PolarHBondContact O-N 3.38Å; E169-A172 PolarHBondContact O-N 3.12Å; E169-K173 HydrophobicContact CG-CD 4.23Å; E169-K173 WeakPolarHBondContact O-CG 3.37Å; E169-K173 PolarHBondContact O-N 3.05Å; E169-K173 VanDerWaalsContact OE1-CE 3.26Å; E169-K173 WeakPolarHBondContact OE1-CE 3.48Å; E169-K173 IonicContact OE1-NZ 3.22Å; E169-K173 PolarHBondContact OE1-NZ 3.1Å; E169-F201 HydrophobicContact CB-CE1 3.88Å; E169-F201 HydrophobicContact CB-CZ 4.32Å; E169-F201 HydrophobicContact CG-CE1 3.92Å; E169-F201 HydrophobicContact CG-CZ 3.9Å |
| 170 | G | 91.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.9 | -42.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E167 K173 L174 F201 | E167-G170 PolarHBondContact O-N 3.17Å; G170-K173 PolarHBondContact O-N 2.92Å; G170-L174 WeakPolarHBondContact O-CB 3.46Å; G170-L174 PolarHBondContact O-N 2.95Å; G170-F201 VanDerWaalsContact CA-CD2 3.41Å; G170-F201 VanDerWaalsContact CA-CG 3.46Å |
| 171 | Y | 94.1 | Very high | 89.6 | Confident | 4 Ų | 4 | 65.3 Ų | 65.3 | 2% | 0.016 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.8 | -38.6 | 174.6 | -74.8 | -63 | 0 | 0 | 0 | 113.2 | F161 L164 E167 E169 L174 I175 L203 D204 R207 V208 L211 | F161-Y171 PolarHBondContact O-OH 3.06Å; L164-Y171 HydrophobicContact CD2-CD1 3.77Å; L164-Y171 HydrophobicContact CD2-CD2 3.92Å; L164-Y171 HydrophobicContact CD2-CE1 4.34Å; L164-Y171 HydrophobicContact CD2-CE2 4.47Å; L164-Y171 HydrophobicContact CD2-CG 3.55Å; E167-Y171 VanDerWaalsContact O-CD2 3.32Å; E167-Y171 WeakPolarHBondContact O-CD2 3.38Å; E167-Y171 PolarHBondContact O-N 3.17Å; E169-Y171 PolarHBondContact O-N 3.38Å; Y171-L174 HydrophobicContact CD1-CD2 4.25Å; Y171-L174 PolarHBondContact O-N 2.85Å; Y171-I175 WeakPolarHBondContact O-CG1 3.34Å; Y171-I175 PolarHBondContact O-N 3.32Å; Y171-L203 HydrophobicContact CD1-CD2 4.46Å; Y171-L203 HydrophobicContact CD2-CD2 3.95Å; Y171-L203 HydrophobicContact CE1-CB 4.4Å; Y171-L203 HydrophobicContact CE1-CD1 4.48Å; Y171-L203 HydrophobicContact CE1-CD2 4.25Å; Y171-L203 HydrophobicContact CE2-CD2 3.71Å; Y171-L203 HydrophobicContact CG-CD2 4.31Å; Y171-D204 PolarHBondContact OH-N 3.19Å; Y171-R207 HydrophobicContact CD1-CG 4.46Å; Y171-R207 HydrophobicContact CE1-CB 4.08Å; Y171-R207 HydrophobicContact CE1-CG 3.51Å; Y171-R207 WeakPolarHBondContact OH-CB 3.46Å; Y171-R207 WeakPolarHBondContact OH-CG 3.29Å; Y171-V208 HydrophobicContact CE1-CG2 4.35Å; Y171-L211 HydrophobicContact CD1-CD1 3.53Å; Y171-L211 HydrophobicContact CE1-CD1 3.99Å |
| 172 | A | 92.7 | Very high | 89.2 | Confident | 53 Ų | 53 | 65.8 Ų | 65.8 | 44% | 0.438 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64 | -41.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | N168 E169 T176 | N168-A172 VanDerWaalsContact O-CB 3.23Å; N168-A172 WeakPolarHBondContact O-CB 3.48Å; N168-A172 PolarHBondContact O-N 3.03Å; E169-A172 PolarHBondContact O-N 3.12Å; A172-T176 WeakPolarHBondContact O-CB 3.43Å; A172-T176 PolarHBondContact O-N 3.11Å; A172-T176 PolarHBondContact O-OG1 2.91Å |
| 173 | K | 93.4 | Very high | 88.4 | Confident | 91 Ų | 91 | 65.9 Ų | 65.9 | 40% | 0.396 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 174.3 | -75.7 | 174.6 | 172 | 175.4 | 0 | 111.9 | E169 G170 T176 E177 L197 F201 | E169-K173 HydrophobicContact CG-CD 4.23Å; E169-K173 WeakPolarHBondContact O-CG 3.37Å; E169-K173 PolarHBondContact O-N 3.05Å; E169-K173 VanDerWaalsContact OE1-CE 3.26Å; E169-K173 WeakPolarHBondContact OE1-CE 3.48Å; E169-K173 IonicContact OE1-NZ 3.22Å; E169-K173 PolarHBondContact OE1-NZ 3.1Å; G170-K173 PolarHBondContact O-N 2.92Å; K173-T176 WeakPolarHBondContact O-CB 3.44Å; K173-T176 PolarHBondContact O-N 3.24Å; K173-E177 PolarHBondContact O-N 3.15Å; K173-L197 HydrophobicContact CB-CD1 4.15Å; K173-L197 HydrophobicContact CB-CD2 3.79Å; K173-L197 HydrophobicContact CD-CD2 4.11Å; K173-F201 HydrophobicContact CD-CE2 3.91Å; K173-F201 HydrophobicContact CD-CZ 3.97Å |
| 174 | L | 92.8 | Very high | 87.6 | Confident | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.7 | -49.8 | 177.8 | 172.7 | 67.1 | 0 | 0 | 0 | 112.2 | G170 Y171 T176 E177 L178 I194 L197 V208 L211 | G170-L174 WeakPolarHBondContact O-CB 3.46Å; G170-L174 PolarHBondContact O-N 2.95Å; Y171-L174 HydrophobicContact CD1-CD2 4.25Å; Y171-L174 PolarHBondContact O-N 2.85Å; L174-T176 VanDerWaalsContact C-N 3.28Å; L174-T176 PolarHBondContact O-N 2.89Å; L174-E177 PolarHBondContact O-N 3.24Å; L174-L178 HydrophobicContact CD1-CD1 3.95Å; L174-L178 HydrophobicContact CD1-CG 4.18Å; L174-L178 HydrophobicContact CG-CD1 4Å; L174-L178 WeakPolarHBondContact O-CG 3.34Å; L174-L178 PolarHBondContact O-N 3Å; L174-I194 HydrophobicContact CD1-CG1 3.98Å; L174-I194 HydrophobicContact CD1-CG2 4.26Å; L174-L197 HydrophobicContact CB-CD1 4.14Å; L174-V208 HydrophobicContact CD1-CG1 4.02Å; L174-V208 HydrophobicContact CD2-CB 4.02Å; L174-V208 HydrophobicContact CD2-CG1 3.74Å; L174-V208 HydrophobicContact CD2-CG2 3.69Å; L174-L211 HydrophobicContact CD2-CD1 3.87Å |
| 175 | I | 91.7 | Very high | 86.7 | Confident | 65 Ų | 65 | 67 Ų | 67 | 33% | 0.333 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.5 | -39.3 | 178.9 | -66.8 | 165.1 | 0 | 0 | 0 | 110.4 | Y171 L178 C179 L211 | Y171-I175 WeakPolarHBondContact O-CG1 3.34Å; Y171-I175 PolarHBondContact O-N 3.32Å; I175-L178 PolarHBondContact O-N 2.72Å; I175-C179 WeakPolarHBondContact O-CB 3.35Å; I175-C179 PolarHBondContact O-N 3.29Å; I175-C179 PolarHBondContact O-SG 3.33Å; I175-C179 VanDerWaalsContact O-SG 3.33Å; I175-L211 HydrophobicContact CD1-CD1 4.42Å; I175-L211 HydrophobicContact CD1-CD2 4.15Å; I175-L211 HydrophobicContact CG1-CD1 4.31Å; I175-L211 HydrophobicContact CG1-CD2 4.32Å |
| 176 | T | 91.6 | Very high | 86.3 | Confident | 75 Ų | 75 | 61.1 Ų | 61.1 | 46% | 0.46 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.9 | -45.7 | 176.7 | -57.5 | 0 | 0 | 0 | 0 | 111.8 | A172 K173 L174 C179 Q180 | A172-T176 WeakPolarHBondContact O-CB 3.43Å; A172-T176 PolarHBondContact O-N 3.11Å; A172-T176 PolarHBondContact O-OG1 2.91Å; K173-T176 WeakPolarHBondContact O-CB 3.44Å; K173-T176 PolarHBondContact O-N 3.24Å; L174-T176 VanDerWaalsContact C-N 3.28Å; L174-T176 PolarHBondContact O-N 2.89Å; T176-C179 PolarHBondContact O-N 3.33Å; T176-Q180 VanDerWaalsContact CG2-NE2 3.34Å; T176-Q180 VanDerWaalsContact O-CG 3.31Å; T176-Q180 WeakPolarHBondContact O-CG 3.33Å; T176-Q180 PolarHBondContact O-N 2.85Å |
| 177 | E | 89.7 | Confident | 86.2 | Confident | 48 Ų | 48 | 57.8 Ų | 57.8 | 22% | 0.224 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.5 | -47.4 | 177.9 | -165.5 | 72.8 | -113.9 | 0 | 0 | 111.8 | K173 L174 C179 Q180 Q193 | K173-E177 PolarHBondContact O-N 3.15Å; L174-E177 PolarHBondContact O-N 3.24Å; E177-C179 VanDerWaalsContact C-N 3.3Å; E177-C179 PolarHBondContact O-N 2.95Å; E177-Q180 PolarHBondContact O-N 3.47Å; E177-Q180 VanDerWaalsContact O-N 3.09Å; E177-Q193 HydrophobicContact CG-CB 4.27Å; E177-Q193 PolarHBondContact OE1-NE2 3.43Å; E177-Q193 PolarHBondContact OE2-NE2 3.36Å |
| 178 | L | 89.7 | Confident | 86.2 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.3 | -35.2 | 179.4 | -68.1 | 172.8 | 0 | 0 | 0 | 112.8 | L174 I175 I181 I194 I212 V215 L229 | L174-L178 HydrophobicContact CD1-CD1 3.95Å; L174-L178 HydrophobicContact CD1-CG 4.18Å; L174-L178 HydrophobicContact CG-CD1 4Å; L174-L178 WeakPolarHBondContact O-CG 3.34Å; L174-L178 PolarHBondContact O-N 3Å; I175-L178 PolarHBondContact O-N 2.72Å; L178-I181 HydrophobicContact CD2-CD1 4.17Å; L178-I181 WeakPolarHBondContact O-CG1 3.43Å; L178-I194 HydrophobicContact CD2-CD1 3.75Å; L178-I212 HydrophobicContact CD1-CG1 3.85Å; L178-I212 HydrophobicContact CD2-CG1 3.87Å; L178-V215 HydrophobicContact CB-CB 4.32Å; L178-V215 HydrophobicContact CB-CG1 4.2Å; L178-V215 HydrophobicContact CB-CG2 3.97Å; L178-V215 HydrophobicContact CD1-CG2 4.27Å; L178-L229 HydrophobicContact CD2-CD2 3.98Å |
| 179 | C | 86.7 | Confident | 85.9 | Confident | 71 Ų | 71 | 58 Ų | 58 | 48% | 0.48 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -73.9 | -23.2 | 175.9 | -72.8 | 0 | 0 | 0 | 0 | 113.6 | I175 T176 E177 | I175-C179 WeakPolarHBondContact O-CB 3.35Å; I175-C179 PolarHBondContact O-N 3.29Å; I175-C179 PolarHBondContact O-SG 3.33Å; I175-C179 VanDerWaalsContact O-SG 3.33Å; T176-C179 PolarHBondContact O-N 3.33Å; E177-C179 VanDerWaalsContact C-N 3.3Å; E177-C179 PolarHBondContact O-N 2.95Å |
| 180 | Q | 85.8 | Confident | 85.7 | Confident | 129 Ų | 129 | 53.3 Ų | 53.3 | 60% | 0.603 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -86.9 | -4.2 | -178.6 | -74.3 | 179 | 20.4 | 0 | 0 | 114.4 | T176 E177 T182 | T176-Q180 VanDerWaalsContact CG2-NE2 3.34Å; T176-Q180 VanDerWaalsContact O-CG 3.31Å; T176-Q180 WeakPolarHBondContact O-CG 3.33Å; T176-Q180 PolarHBondContact O-N 2.85Å; E177-Q180 PolarHBondContact O-N 3.47Å; E177-Q180 VanDerWaalsContact O-N 3.09Å; Q180-T182 PolarHBondContact O-N 3.33Å |
| 181 | I | 82.9 | Confident | 85.8 | Confident | 5 Ų | 5 | 53.6 Ų | 53.6 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | trans | -59.1 | 133.2 | 177.8 | -54 | 175.4 | 0 | 0 | 0 | 110.3 | L178 M187 V190 R219 M222 F226 L229 | L178-I181 HydrophobicContact CD2-CD1 4.17Å; L178-I181 WeakPolarHBondContact O-CG1 3.43Å; I181-M187 HydrophobicContact CG2-CE 3.54Å; I181-M187 HydrophobicContact CG2-SD 4Å; I181-V190 HydrophobicContact CD1-CG1 3.88Å; I181-V190 HydrophobicContact CG1-CG1 4.11Å; I181-V190 HydrophobicContact CG1-CG2 4.33Å; I181-R219 PolarHBondContact O-NH1 3.46Å; I181-M222 HydrophobicContact CG2-CE 3.72Å; I181-F226 HydrophobicContact CD1-CE1 3.93Å; I181-F226 HydrophobicContact CD1-CZ 4.16Å; I181-L229 HydrophobicContact CD1-CD2 3.97Å | ||
| 182 | T | 77.8 | Confident | 85.6 | Confident | 75 Ų | 75 | 58.9 Ų | 58.9 | 46% | 0.46 | 34% | 0.344 | S | S | . | . | trans | -123.2 | 153.9 | 173.8 | 50 | 0 | 0 | 0 | 0 | 109.6 | Q180 T184 A185 M222 | Q180-T182 PolarHBondContact O-N 3.33Å; T182-T184 PolarHBondContact O-N 3.11Å; T182-T184 PolarHBondContact OG1-OG1 3.46Å; T182-A185 VanDerWaalsContact O-CB 3.3Å; T182-A185 WeakPolarHBondContact O-CB 3.38Å; T182-A185 PolarHBondContact O-N 3.49Å; T182-M222 VanDerWaalsContact C-CE 3.48Å | ||
| 183 | S | 70 | Confident | 85.5 | Confident | 81 Ų | 81 | 59.6 Ų | 59.6 | 57% | 0.566 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -6.4 | -178.2 | -57.5 | 0 | 0 | 0 | 0 | 114.8 | E225 | S183-E225 WeakPolarHBondContact CB-OE1 3.31Å; S183-E225 PolarHBondContact OG-OE1 3.44Å |
| 184 | T | 70.9 | Confident | 85.4 | Confident | 137 Ų | 137 | 55.3 Ų | 55.3 | 84% | 0.84 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | -6.9 | 172.5 | 49.9 | 0 | 0 | 0 | 0 | 113.8 | T182 | T182-T184 PolarHBondContact O-N 3.11Å; T182-T184 PolarHBondContact OG1-OG1 3.46Å |
| 185 | A | 68.8 | Low | 85.4 | Confident | 35 Ų | 35 | 62 Ų | 62 | 29% | 0.289 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -77.2 | 145.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | T182 M187 | T182-A185 VanDerWaalsContact O-CB 3.3Å; T182-A185 WeakPolarHBondContact O-CB 3.38Å; T182-A185 PolarHBondContact O-N 3.49Å; A185-M187 HydrophobicContact CB-CE 4.48Å; A185-M187 WeakPolarHBondContact O-CE 3.34Å; A185-M187 PolarHBondContact O-N 3.14Å |
| 186 | S | 82.6 | Confident | 85.5 | Confident | 60 Ų | 60 | 62.2 Ų | 62.2 | 42% | 0.42 | 35% | 0.352 | S | S | . | . | trans | -76.1 | 117.3 | 168.8 | 175.4 | 0 | 0 | 0 | 0 | 110.2 | E188 A189 V190 | S186-E188 PolarHBondContact O-N 2.81Å; S186-E188 VanDerWaalsContact O-N 3.16Å; S186-E188 WeakPolarHBondContact OG-CB 3.3Å; S186-E188 PolarHBondContact OG-N 3.29Å; S186-A189 WeakPolarHBondContact O-CB 3.46Å; S186-A189 PolarHBondContact O-N 3.05Å; S186-V190 PolarHBondContact O-N 3.29Å | ||
| 187 | M | 85.3 | Confident | 85.6 | Confident | 9 Ų | 9 | 59.6 Ų | 59.6 | 4% | 0.044 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.7 | -22.4 | 174.7 | -57.7 | -60.7 | 133.4 | 0 | 0 | 112.4 | I181 A185 M191 M222 E225 Q228 L229 L232 | I181-M187 HydrophobicContact CG2-CE 3.54Å; I181-M187 HydrophobicContact CG2-SD 4Å; A185-M187 HydrophobicContact CB-CE 4.48Å; A185-M187 WeakPolarHBondContact O-CE 3.34Å; A185-M187 PolarHBondContact O-N 3.14Å; M187-M191 VanDerWaalsContact O-CB 3.31Å; M187-M191 WeakPolarHBondContact O-CB 3.44Å; M187-M191 PolarHBondContact O-N 3.16Å; M187-M222 HydrophobicContact CE-CE 4.29Å; M187-E225 HydrophobicContact CE-CB 3.74Å; M187-E225 HydrophobicContact CE-CG 4.03Å; M187-E225 HydrophobicContact SD-CB 4.04Å; M187-Q228 HydrophobicContact CB-CB 4.41Å; M187-Q228 HydrophobicContact CG-CB 4.08Å; M187-L229 HydrophobicContact SD-CB 4.49Å; M187-L232 HydrophobicContact CB-CD1 3.74Å |
| 188 | E | 86.6 | Confident | 85.7 | Confident | 128 Ų | 128 | 59 Ų | 59 | 60% | 0.598 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -70.3 | -39.1 | 175 | -55.8 | 175.9 | 139.5 | 0 | 0 | 111.5 | S186 M191 I192 L232 | S186-E188 PolarHBondContact O-N 2.81Å; S186-E188 VanDerWaalsContact O-N 3.16Å; S186-E188 WeakPolarHBondContact OG-CB 3.3Å; S186-E188 PolarHBondContact OG-N 3.29Å; E188-M191 PolarHBondContact O-N 2.97Å; E188-I192 VanDerWaalsContact O-CG1 3.3Å; E188-I192 WeakPolarHBondContact O-CG1 3.42Å; E188-I192 PolarHBondContact O-N 3.4Å; E188-L232 HydrophobicContact CG-CD1 3.94Å; E188-L232 HydrophobicContact CG-CD2 4.3Å |
| 189 | A | 86.9 | Confident | 85.7 | Confident | 44 Ų | 44 | 61.8 Ų | 61.8 | 36% | 0.364 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.6 | -46.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | S186 M191 I192 Q193 | S186-A189 WeakPolarHBondContact O-CB 3.46Å; S186-A189 PolarHBondContact O-N 3.05Å; A189-M191 VanDerWaalsContact C-N 3.29Å; A189-M191 PolarHBondContact O-N 3.11Å; A189-I192 WeakPolarHBondContact O-CB 3.47Å; A189-I192 PolarHBondContact O-N 2.86Å; A189-Q193 PolarHBondContact O-N 3.04Å; A189-Q193 PolarHBondContact O-OE1 3.1Å |
| 190 | V | 88.8 | Confident | 86 | Confident | 8 Ų | 8 | 67 Ų | 67 | 5% | 0.048 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -57.4 | -42.9 | 174.3 | 179.7 | 0 | 0 | 0 | 0 | 110.7 | I181 S186 I192 Q193 I194 L229 | I181-V190 HydrophobicContact CD1-CG1 3.88Å; I181-V190 HydrophobicContact CG1-CG1 4.11Å; I181-V190 HydrophobicContact CG1-CG2 4.33Å; S186-V190 PolarHBondContact O-N 3.29Å; V190-I192 VanDerWaalsContact C-N 3.34Å; V190-I192 PolarHBondContact O-N 3.49Å; V190-Q193 WeakPolarHBondContact O-CB 3.5Å; V190-Q193 PolarHBondContact O-N 3.41Å; V190-I194 HydrophobicContact CG1-CD1 3.94Å; V190-I194 HydrophobicContact CG1-CG1 4.48Å; V190-I194 WeakPolarHBondContact O-CG1 3.38Å; V190-I194 PolarHBondContact O-N 3.42Å; V190-L229 HydrophobicContact CB-CD1 4.27Å; V190-L229 HydrophobicContact CG1-CD1 3.99Å; V190-L229 HydrophobicContact CG1-CD2 4.32Å |
| 191 | M | 91.9 | Very high | 86.3 | Confident | 7 Ų | 7 | 61.6 Ų | 61.6 | 3% | 0.034 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65 | -34.9 | 176.5 | -168.7 | 68.8 | -142.9 | 0 | 0 | 112.8 | M187 E188 A189 I194 R195 L229 L232 Y233 | M187-M191 VanDerWaalsContact O-CB 3.31Å; M187-M191 WeakPolarHBondContact O-CB 3.44Å; M187-M191 PolarHBondContact O-N 3.16Å; E188-M191 PolarHBondContact O-N 2.97Å; A189-M191 VanDerWaalsContact C-N 3.29Å; A189-M191 PolarHBondContact O-N 3.11Å; M191-I194 HydrophobicContact CE-CG2 4.32Å; M191-R195 HydrophobicContact CE-CG 3.75Å; M191-R195 WeakPolarHBondContact O-CB 3.48Å; M191-R195 VanDerWaalsContact O-CG 3.31Å; M191-R195 WeakPolarHBondContact O-CG 3.36Å; M191-R195 PolarHBondContact O-N 3.23Å; M191-L229 HydrophobicContact CB-CD1 4.16Å; M191-L229 HydrophobicContact SD-CD1 4.23Å; M191-L232 HydrophobicContact CB-CB 4.16Å; M191-L232 HydrophobicContact CG-CB 3.91Å; M191-L232 HydrophobicContact SD-CB 4.29Å; M191-Y233 HydrophobicContact CE-CD2 3.52Å; M191-Y233 HydrophobicContact CE-CE2 4.1Å; M191-Y233 HydrophobicContact CE-CG 4Å; M191-Y233 HydrophobicContact SD-CD2 4.01Å; M191-Y233 HydrophobicContact SD-CG 4.42Å |
| 192 | I | 90.8 | Very high | 86.7 | Confident | 115 Ų | 115 | 65.2 Ų | 65.2 | 59% | 0.59 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -64.6 | -43.4 | 173.1 | -70.5 | 162.3 | 0 | 0 | 0 | 110.4 | E188 A189 V190 R195 S196 | E188-I192 VanDerWaalsContact O-CG1 3.3Å; E188-I192 WeakPolarHBondContact O-CG1 3.42Å; E188-I192 PolarHBondContact O-N 3.4Å; A189-I192 WeakPolarHBondContact O-CB 3.47Å; A189-I192 PolarHBondContact O-N 2.86Å; V190-I192 VanDerWaalsContact C-N 3.34Å; V190-I192 PolarHBondContact O-N 3.49Å; I192-R195 PolarHBondContact O-N 3.08Å; I192-S196 PolarHBondContact O-N 3.03Å |
| 193 | Q | 90.1 | Very high | 87.4 | Confident | 68 Ų | 68 | 61.8 Ų | 61.8 | 32% | 0.318 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.7 | -47.2 | 175.5 | -69.2 | 160.9 | -92.8 | 0 | 0 | 111.2 | E177 A189 V190 R195 S196 L197 | E177-Q193 HydrophobicContact CG-CB 4.27Å; E177-Q193 PolarHBondContact OE1-NE2 3.43Å; E177-Q193 PolarHBondContact OE2-NE2 3.36Å; A189-Q193 PolarHBondContact O-N 3.04Å; A189-Q193 PolarHBondContact O-OE1 3.1Å; V190-Q193 WeakPolarHBondContact O-CB 3.5Å; V190-Q193 PolarHBondContact O-N 3.41Å; Q193-R195 PolarHBondContact O-N 3.48Å; Q193-S196 WeakPolarHBondContact O-CB 3.5Å; Q193-S196 PolarHBondContact O-N 3.1Å; Q193-S196 VanDerWaalsContact O-N 3.09Å; Q193-S196 PolarHBondContact O-OG 2.7Å; Q193-L197 PolarHBondContact O-N 2.7Å |
| 194 | I | 92.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.9 | -44.7 | 175.6 | -68 | 168.4 | 0 | 0 | 0 | 111.6 | L174 L178 V190 M191 S196 L197 I198 V208 I212 L229 Y233 | L174-I194 HydrophobicContact CD1-CG1 3.98Å; L174-I194 HydrophobicContact CD1-CG2 4.26Å; L178-I194 HydrophobicContact CD2-CD1 3.75Å; V190-I194 HydrophobicContact CG1-CD1 3.94Å; V190-I194 HydrophobicContact CG1-CG1 4.48Å; V190-I194 WeakPolarHBondContact O-CG1 3.38Å; V190-I194 PolarHBondContact O-N 3.42Å; M191-I194 HydrophobicContact CE-CG2 4.32Å; I194-S196 VanDerWaalsContact C-N 3.29Å; I194-S196 PolarHBondContact O-N 3.13Å; I194-L197 PolarHBondContact O-N 3.41Å; I194-I198 HydrophobicContact CG2-CD1 3.88Å; I194-I198 HydrophobicContact CG2-CG1 4.47Å; I194-I198 WeakPolarHBondContact O-CG1 3.46Å; I194-I198 PolarHBondContact O-N 2.84Å; I194-V208 HydrophobicContact CG2-CG1 3.93Å; I194-I212 HydrophobicContact CD1-CD1 4.39Å; I194-L229 HydrophobicContact CD1-CD1 4.09Å; I194-L229 HydrophobicContact CD1-CD2 4.07Å; I194-L229 HydrophobicContact CD1-CG 4.45Å; I194-Y233 HydrophobicContact CG2-CE2 4.2Å |
| 195 | R | 92.9 | Very high | 89.3 | Confident | 142 Ų | 142 | 54.4 Ų | 54.4 | 54% | 0.536 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.7 | -36.9 | 175.4 | -73.8 | 175.2 | -174.8 | 167.5 | 6.2 | 112.2 | M191 I192 Q193 G199 L232 | M191-R195 HydrophobicContact CE-CG 3.75Å; M191-R195 WeakPolarHBondContact O-CB 3.48Å; M191-R195 VanDerWaalsContact O-CG 3.31Å; M191-R195 WeakPolarHBondContact O-CG 3.36Å; M191-R195 PolarHBondContact O-N 3.23Å; I192-R195 PolarHBondContact O-N 3.08Å; Q193-R195 PolarHBondContact O-N 3.48Å; R195-G199 PolarHBondContact O-N 3.35Å; R195-L232 PolarHBondContact NH2-O 3.46Å |
| 196 | S | 92.9 | Very high | 90.4 | Very high | 70 Ų | 70 | 56.3 Ų | 56.3 | 49% | 0.49 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.7 | -38.2 | 175.8 | 80.5 | 0 | 0 | 0 | 0 | 112.4 | I192 Q193 I194 G199 Y200 | I192-S196 PolarHBondContact O-N 3.03Å; Q193-S196 WeakPolarHBondContact O-CB 3.5Å; Q193-S196 PolarHBondContact O-N 3.1Å; Q193-S196 VanDerWaalsContact O-N 3.09Å; Q193-S196 PolarHBondContact O-OG 2.7Å; I194-S196 VanDerWaalsContact C-N 3.29Å; I194-S196 PolarHBondContact O-N 3.13Å; S196-G199 PolarHBondContact O-N 3.39Å; S196-Y200 WeakPolarHBondContact O-CB 3.26Å; S196-Y200 PolarHBondContact O-N 3.36Å |
| 197 | L | 93.2 | Very high | 90.8 | Very high | 19 Ų | 19 | 56.4 Ų | 56.4 | 10% | 0.099 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -69.5 | -43.2 | 176.7 | -67.1 | 174.4 | 0 | 0 | 0 | 112 | K173 L174 Q193 I194 G199 Y200 F201 L203 | K173-L197 HydrophobicContact CB-CD1 4.15Å; K173-L197 HydrophobicContact CB-CD2 3.79Å; K173-L197 HydrophobicContact CD-CD2 4.11Å; L174-L197 HydrophobicContact CB-CD1 4.14Å; Q193-L197 PolarHBondContact O-N 2.7Å; I194-L197 PolarHBondContact O-N 3.41Å; L197-G199 VanDerWaalsContact C-N 3.33Å; L197-G199 PolarHBondContact O-N 2.76Å; L197-Y200 PolarHBondContact O-N 2.72Å; L197-F201 HydrophobicContact CD2-CD2 4.25Å; L197-F201 HydrophobicContact CD2-CE2 3.95Å; L197-F201 PolarHBondContact O-N 2.94Å; L197-F201 VanDerWaalsContact O-N 3.15Å; L197-L203 HydrophobicContact CB-CD1 4.41Å |
| 198 | I | 92.3 | Very high | 91.1 | Very high | 35 Ų | 35 | 56 Ų | 56 | 18% | 0.179 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.2 | -49.1 | 173.6 | -67.8 | 164.1 | 0 | 0 | 0 | 110.5 | I194 D202 L203 V208 Y233 | I194-I198 HydrophobicContact CG2-CD1 3.88Å; I194-I198 HydrophobicContact CG2-CG1 4.47Å; I194-I198 WeakPolarHBondContact O-CG1 3.46Å; I194-I198 PolarHBondContact O-N 2.84Å; I198-D202 WeakPolarHBondContact O-CA 3.44Å; I198-D202 PolarHBondContact O-N 2.94Å; I198-L203 PolarHBondContact O-N 2.76Å; I198-V208 HydrophobicContact CD1-CG1 4.13Å; I198-V208 HydrophobicContact CG1-CB 4.48Å; I198-V208 HydrophobicContact CG1-CG1 4.3Å; I198-V208 HydrophobicContact CG1-CG2 3.95Å; I198-Y233 HydrophobicContact CD1-CE2 4.15Å |
| 199 | G | 90.4 | Very high | 91.4 | Very high | 60 Ų | 60 | 50 Ų | 50 | 62% | 0.619 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -80.3 | -12 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116 | R195 S196 L197 | R195-G199 PolarHBondContact O-N 3.35Å; S196-G199 PolarHBondContact O-N 3.39Å; L197-G199 VanDerWaalsContact C-N 3.33Å; L197-G199 PolarHBondContact O-N 2.76Å |
| 200 | Y | 92 | Very high | 91.7 | Very high | 180 Ų | 180 | 49 Ų | 49 | 71% | 0.706 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -96.2 | -33.4 | 177.4 | -173.3 | -82 | 0 | 0 | 0 | 112.7 | S196 L197 | S196-Y200 WeakPolarHBondContact O-CB 3.26Å; S196-Y200 PolarHBondContact O-N 3.36Å; L197-Y200 PolarHBondContact O-N 2.72Å |
| 201 | F | 92.7 | Very high | 91.8 | Very high | 16 Ų | 16 | 49.1 Ų | 49.1 | 7% | 0.07 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | 14 | -177.3 | -64.8 | -82.4 | 0 | 0 | 0 | 113.4 | F161 E169 G170 K173 L197 L203 | F161-F201 WeakPolarHBondContact CD2-O 3.5Å; E169-F201 HydrophobicContact CB-CE1 3.88Å; E169-F201 HydrophobicContact CB-CZ 4.32Å; E169-F201 HydrophobicContact CG-CE1 3.92Å; E169-F201 HydrophobicContact CG-CZ 3.9Å; G170-F201 VanDerWaalsContact CA-CD2 3.41Å; G170-F201 VanDerWaalsContact CA-CG 3.46Å; K173-F201 HydrophobicContact CD-CE2 3.91Å; K173-F201 HydrophobicContact CD-CZ 3.97Å; L197-F201 HydrophobicContact CD2-CD2 4.25Å; L197-F201 HydrophobicContact CD2-CE2 3.95Å; L197-F201 PolarHBondContact O-N 2.94Å; L197-F201 VanDerWaalsContact O-N 3.15Å; F201-L203 HydrophobicContact CB-CD1 4.48Å; F201-L203 HydrophobicContact CB-CD2 3.63Å; F201-L203 HydrophobicContact CB-CG 3.82Å; F201-L203 PolarHBondContact O-N 3.12Å |
| 202 | D | 90.4 | Very high | 91.8 | Very high | 80 Ų | 80 | 48.8 Ų | 48.8 | 43% | 0.428 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 44.2 | 39.7 | -176.1 | -70.7 | -43.9 | 0 | 0 | 0 | 113.7 | K160 F161 I198 | K160-D202 WeakPolarHBondContact CA-O 3.33Å; F161-D202 HydrophobicContact CD2-CB 3.84Å; F161-D202 HydrophobicContact CE2-CB 3.92Å; F161-D202 PolarHBondContact N-O 3.4Å; I198-D202 WeakPolarHBondContact O-CA 3.44Å; I198-D202 PolarHBondContact O-N 2.94Å |
| 203 | L | 92.8 | Very high | 91.9 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -67 | 140.5 | -176.6 | -53.6 | 179.4 | 0 | 0 | 0 | 110.1 | E167 Y171 L197 I198 F201 P205 V208 | E167-L203 HydrophobicContact CB-CD2 4.06Å; Y171-L203 HydrophobicContact CD1-CD2 4.46Å; Y171-L203 HydrophobicContact CD2-CD2 3.95Å; Y171-L203 HydrophobicContact CE1-CB 4.4Å; Y171-L203 HydrophobicContact CE1-CD1 4.48Å; Y171-L203 HydrophobicContact CE1-CD2 4.25Å; Y171-L203 HydrophobicContact CE2-CD2 3.71Å; Y171-L203 HydrophobicContact CG-CD2 4.31Å; L197-L203 HydrophobicContact CB-CD1 4.41Å; I198-L203 PolarHBondContact O-N 2.76Å; F201-L203 HydrophobicContact CB-CD1 4.48Å; F201-L203 HydrophobicContact CB-CD2 3.63Å; F201-L203 HydrophobicContact CB-CG 3.82Å; F201-L203 PolarHBondContact O-N 3.12Å; L203-P205 WeakPolarHBondContact O-CD 3.32Å; L203-V208 HydrophobicContact CB-CG2 3.88Å; L203-V208 HydrophobicContact CD1-CG2 4.21Å |
| 204 | D | 90.4 | Very high | 91.9 | Very high | 26 Ų | 26 | 43 Ų | 43 | 14% | 0.139 | 22% | 0.223 | C | C | . | . | trans | -69.1 | 123.5 | 175.7 | -169.3 | 83.8 | 0 | 0 | 0 | 111.3 | F161 N162 Y171 N206 R207 V208 | F161-D204 PolarHBondContact O-N 2.99Å; F161-D204 VanDerWaalsContact O-N 3.16Å; N162-D204 HydrophobicContact CB-CB 3.9Å; Y171-D204 PolarHBondContact OH-N 3.19Å; D204-N206 PolarHBondContact O-N 3.13Å; D204-N206 WeakPolarHBondContact OD2-CB 3.27Å; D204-N206 PolarHBondContact OD2-N 2.8Å; D204-R207 HydrophobicContact CB-CB 4.24Å; D204-R207 PolarHBondContact O-N 3.02Å; D204-R207 VanDerWaalsContact O-N 3.09Å; D204-V208 WeakPolarHBondContact O-CG2 3.43Å; D204-V208 PolarHBondContact O-N 3.33Å | ||
| 205 | P | 90.8 | Very high | 91.8 | Very high | 38 Ų | 38 | 43.7 Ų | 43.7 | 25% | 0.247 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.7 | -34.1 | -178.1 | -28.4 | 37.1 | 0 | 0 | 0 | 114 | L203 V208 L209 Y233 | L203-P205 WeakPolarHBondContact O-CD 3.32Å; P205-V208 PolarHBondContact O-N 3.44Å; P205-L209 PolarHBondContact O-N 3.16Å; P205-Y233 WeakPolarHBondContact CA-OH 3.39Å; P205-Y233 WeakPolarHBondContact CB-OH 3.49Å; P205-Y233 PolarHBondContact O-OH 2.94Å |
| 206 | N | 91.2 | Very high | 91.6 | Very high | 75 Ų | 75 | 37 Ų | 37 | 40% | 0.401 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -73.4 | -33.9 | -178.6 | -64.6 | -2.3 | 0 | 0 | 0 | 110.7 | D204 L209 D210 I243 | D204-N206 PolarHBondContact O-N 3.13Å; D204-N206 WeakPolarHBondContact OD2-CB 3.27Å; D204-N206 PolarHBondContact OD2-N 2.8Å; N206-L209 PolarHBondContact O-N 3.02Å; N206-D210 WeakPolarHBondContact O-CB 3.39Å; N206-D210 PolarHBondContact O-N 3.12Å; N206-I243 HydrophobicContact CB-CD1 4.08Å |
| 207 | R | 91.5 | Very high | 91.4 | Very high | 62 Ų | 62 | 35.5 Ų | 35.5 | 23% | 0.234 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.1 | -36 | 170.6 | -170.5 | 70.9 | -148 | 147.8 | 21.5 | 112.3 | N162 Y171 D204 D210 L211 | N162-R207 VanDerWaalsContact O-CD 3.28Å; N162-R207 WeakPolarHBondContact O-CD 3.38Å; N162-R207 VanDerWaalsContact O-CG 3.29Å; N162-R207 WeakPolarHBondContact O-CG 3.09Å; Y171-R207 HydrophobicContact CD1-CG 4.46Å; Y171-R207 HydrophobicContact CE1-CB 4.08Å; Y171-R207 HydrophobicContact CE1-CG 3.51Å; Y171-R207 WeakPolarHBondContact OH-CB 3.46Å; Y171-R207 WeakPolarHBondContact OH-CG 3.29Å; D204-R207 HydrophobicContact CB-CB 4.24Å; D204-R207 PolarHBondContact O-N 3.02Å; D204-R207 VanDerWaalsContact O-N 3.09Å; R207-D210 IonicContact CZ-OD2 2.71Å; R207-D210 IonicContact NH1-OD2 2.86Å; R207-D210 PolarHBondContact NH1-OD2 3.48Å; R207-D210 IonicContact NH2-OD2 3.75Å; R207-D210 PolarHBondContact NH2-OD2 3.37Å; R207-D210 PolarHBondContact O-N 2.74Å; R207-L211 WeakPolarHBondContact O-CG 3.36Å; R207-L211 PolarHBondContact O-N 3.4Å |
| 208 | V | 92.7 | Very high | 91 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.3 | -42 | 173.5 | 173.9 | 0 | 0 | 0 | 0 | 111.2 | Y171 L174 I194 I198 L203 D204 P205 L211 I212 Y233 | Y171-V208 HydrophobicContact CE1-CG2 4.35Å; L174-V208 HydrophobicContact CD1-CG1 4.02Å; L174-V208 HydrophobicContact CD2-CB 4.02Å; L174-V208 HydrophobicContact CD2-CG1 3.74Å; L174-V208 HydrophobicContact CD2-CG2 3.69Å; I194-V208 HydrophobicContact CG2-CG1 3.93Å; I198-V208 HydrophobicContact CD1-CG1 4.13Å; I198-V208 HydrophobicContact CG1-CB 4.48Å; I198-V208 HydrophobicContact CG1-CG1 4.3Å; I198-V208 HydrophobicContact CG1-CG2 3.95Å; L203-V208 HydrophobicContact CB-CG2 3.88Å; L203-V208 HydrophobicContact CD1-CG2 4.21Å; D204-V208 WeakPolarHBondContact O-CG2 3.43Å; D204-V208 PolarHBondContact O-N 3.33Å; P205-V208 PolarHBondContact O-N 3.44Å; V208-L211 PolarHBondContact O-N 3.36Å; V208-I212 HydrophobicContact CG1-CD1 4.09Å; V208-I212 WeakPolarHBondContact O-CG1 3.47Å; V208-I212 PolarHBondContact O-N 3.36Å; V208-Y233 HydrophobicContact CG1-CE2 3.84Å |
| 209 | L | 92.1 | Very high | 90.6 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.5 | -40.4 | 174.7 | -177.5 | 60.8 | 0 | 0 | 0 | 112.4 | P205 N206 L211 I212 L213 Y233 P235 M240 I243 | P205-L209 PolarHBondContact O-N 3.16Å; N206-L209 PolarHBondContact O-N 3.02Å; L209-L211 VanDerWaalsContact C-N 3.27Å; L209-L211 PolarHBondContact O-N 3.27Å; L209-I212 PolarHBondContact O-N 3.12Å; L209-L213 HydrophobicContact CG-CD1 4.3Å; L209-L213 WeakPolarHBondContact O-CG 3.45Å; L209-L213 PolarHBondContact O-N 3.27Å; L209-Y233 HydrophobicContact CB-CE1 4.44Å; L209-P235 HydrophobicContact CD1-CG 4.28Å; L209-P235 HydrophobicContact CD2-CB 3.54Å; L209-P235 HydrophobicContact CD2-CG 3.89Å; L209-M240 HydrophobicContact CD2-CB 4.36Å; L209-M240 HydrophobicContact CD2-CG 4.49Å; L209-I243 HydrophobicContact CB-CD1 4.4Å; L209-I243 HydrophobicContact CD2-CD1 3.85Å; L209-I243 HydrophobicContact CG-CD1 4.3Å |
| 210 | D | 92.6 | Very high | 90 | Very high | 23 Ų | 23 | 42.7 Ų | 42.7 | 12% | 0.123 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.3 | -40.3 | 175.7 | -171.1 | 53.9 | 0 | 0 | 0 | 112.1 | N206 R207 L213 D214 I243 K247 | N206-D210 WeakPolarHBondContact O-CB 3.39Å; N206-D210 PolarHBondContact O-N 3.12Å; R207-D210 IonicContact CZ-OD2 2.71Å; R207-D210 IonicContact NH1-OD2 2.86Å; R207-D210 PolarHBondContact NH1-OD2 3.48Å; R207-D210 IonicContact NH2-OD2 3.75Å; R207-D210 PolarHBondContact NH2-OD2 3.37Å; R207-D210 PolarHBondContact O-N 2.74Å; D210-L213 PolarHBondContact O-N 2.95Å; D210-D214 VanDerWaalsContact O-CG 3.31Å; D210-D214 PolarHBondContact O-N 3.36Å; D210-I243 HydrophobicContact CB-CG2 4.04Å; D210-I243 WeakPolarHBondContact OD1-CG2 3.42Å; D210-K247 VanDerWaalsContact CG-NZ 3.34Å; D210-K247 PolarHBondContact O-NZ 3.07Å; D210-K247 WeakPolarHBondContact OD1-CE 3.31Å; D210-K247 IonicContact OD1-NZ 3.36Å; D210-K247 PolarHBondContact OD1-NZ 3.05Å; D210-K247 IonicContact OD2-NZ 3.97Å |
| 211 | L | 92.4 | Very high | 89.5 | Confident | 12 Ų | 12 | 39.2 Ų | 39.2 | 6% | 0.063 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -74.1 | -34.4 | 175.3 | -69.6 | 169.8 | 0 | 0 | 0 | 113.5 | L164 Y171 L174 I175 R207 V208 L209 L213 D214 V215 | L164-L211 HydrophobicContact CD2-CD1 4.23Å; Y171-L211 HydrophobicContact CD1-CD1 3.53Å; Y171-L211 HydrophobicContact CE1-CD1 3.99Å; L174-L211 HydrophobicContact CD2-CD1 3.87Å; I175-L211 HydrophobicContact CD1-CD1 4.42Å; I175-L211 HydrophobicContact CD1-CD2 4.15Å; I175-L211 HydrophobicContact CG1-CD1 4.31Å; I175-L211 HydrophobicContact CG1-CD2 4.32Å; R207-L211 WeakPolarHBondContact O-CG 3.36Å; R207-L211 PolarHBondContact O-N 3.4Å; V208-L211 PolarHBondContact O-N 3.36Å; L209-L211 VanDerWaalsContact C-N 3.27Å; L209-L211 PolarHBondContact O-N 3.27Å; L211-L213 PolarHBondContact O-N 3.22Å; L211-D214 PolarHBondContact O-N 2.99Å; L211-V215 WeakPolarHBondContact O-CG2 3.47Å; L211-V215 PolarHBondContact O-N 3.04Å |
| 212 | I | 92 | Very high | 89.1 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.3 | -38.8 | 170.6 | -70.4 | 165.4 | 0 | 0 | 0 | 110 | L178 I194 V208 L209 C216 I230 Y233 | L178-I212 HydrophobicContact CD1-CG1 3.85Å; L178-I212 HydrophobicContact CD2-CG1 3.87Å; I194-I212 HydrophobicContact CD1-CD1 4.39Å; V208-I212 HydrophobicContact CG1-CD1 4.09Å; V208-I212 WeakPolarHBondContact O-CG1 3.47Å; V208-I212 PolarHBondContact O-N 3.36Å; L209-I212 PolarHBondContact O-N 3.12Å; I212-C216 VanDerWaalsContact O-CB 3.23Å; I212-C216 WeakPolarHBondContact O-CB 3.39Å; I212-C216 PolarHBondContact O-N 2.91Å; I212-I230 HydrophobicContact CG2-CD1 4.43Å; I212-I230 HydrophobicContact CG2-CG1 3.96Å; I212-Y233 HydrophobicContact CD1-CD2 3.57Å; I212-Y233 HydrophobicContact CD1-CE2 3.74Å |
| 213 | L | 91.2 | Very high | 88.8 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -70.1 | -38.7 | 175.6 | -67.5 | 167.4 | 0 | 0 | 0 | 112.2 | L209 D210 L211 C216 E217 I230 I243 L244 L269 | L209-L213 HydrophobicContact CG-CD1 4.3Å; L209-L213 WeakPolarHBondContact O-CG 3.45Å; L209-L213 PolarHBondContact O-N 3.27Å; D210-L213 PolarHBondContact O-N 2.95Å; L211-L213 PolarHBondContact O-N 3.22Å; L213-C216 PolarHBondContact O-N 3.13Å; L213-E217 WeakPolarHBondContact O-CB 3.13Å; L213-E217 PolarHBondContact O-N 3.49Å; L213-I230 HydrophobicContact CD2-CD1 4.24Å; L213-I243 HydrophobicContact CD1-CG2 3.93Å; L213-L244 HydrophobicContact CD1-CD1 4.35Å; L213-L244 HydrophobicContact CD1-CD2 4.1Å; L213-L244 HydrophobicContact CD1-CG 3.99Å; L213-L244 HydrophobicContact CD2-CD1 4.44Å; L213-L269 HydrophobicContact CD2-CD1 3.63Å |
| 214 | D | 90.6 | Very high | 88.4 | Confident | 61 Ų | 61 | 40 Ų | 40 | 33% | 0.326 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.5 | -45.8 | 173.5 | -68.9 | -37.7 | 0 | 0 | 0 | 112 | D210 L211 E217 F218 K247 | D210-D214 VanDerWaalsContact O-CG 3.31Å; D210-D214 PolarHBondContact O-N 3.36Å; L211-D214 PolarHBondContact O-N 2.99Å; D214-E217 WeakPolarHBondContact O-CB 3.39Å; D214-E217 PolarHBondContact O-N 2.9Å; D214-F218 PolarHBondContact O-N 3.37Å; D214-K247 VanDerWaalsContact CG-NZ 3.29Å; D214-K247 IonicContact OD1-NZ 3.99Å; D214-K247 PolarHBondContact OD1-NZ 3.31Å; D214-K247 IonicContact OD2-NZ 2.68Å |
| 215 | V | 90.2 | Very high | 88.1 | Confident | 14 Ų | 14 | 40.3 Ų | 40.3 | 9% | 0.085 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70.2 | -36.5 | 178.6 | -178.6 | 0 | 0 | 0 | 0 | 111 | L178 L211 E217 F218 R219 F226 | L178-V215 HydrophobicContact CB-CB 4.32Å; L178-V215 HydrophobicContact CB-CG1 4.2Å; L178-V215 HydrophobicContact CB-CG2 3.97Å; L178-V215 HydrophobicContact CD1-CG2 4.27Å; L211-V215 WeakPolarHBondContact O-CG2 3.47Å; L211-V215 PolarHBondContact O-N 3.04Å; V215-E217 VanDerWaalsContact C-N 3.3Å; V215-E217 PolarHBondContact O-N 3.45Å; V215-F218 PolarHBondContact O-N 3.28Å; V215-R219 HydrophobicContact CG1-CG 4.34Å; V215-R219 VanDerWaalsContact O-CB 3.29Å; V215-R219 WeakPolarHBondContact O-CB 3.31Å; V215-R219 PolarHBondContact O-N 2.99Å; V215-F226 HydrophobicContact CB-CE1 4.5Å; V215-F226 HydrophobicContact CB-CZ 4.47Å; V215-F226 HydrophobicContact CG1-CE1 4.13Å; V215-F226 HydrophobicContact CG1-CZ 3.7Å |
| 216 | C | 88.4 | Confident | 88 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.014 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.4 | -38.5 | 170.9 | -178.3 | 0 | 0 | 0 | 0 | 111.7 | I212 L213 R219 Y223 F226 | I212-C216 VanDerWaalsContact O-CB 3.23Å; I212-C216 WeakPolarHBondContact O-CB 3.39Å; I212-C216 PolarHBondContact O-N 2.91Å; L213-C216 PolarHBondContact O-N 3.13Å; C216-R219 CarbonylContact O-C 3.56Å; C216-R219 PolarHBondContact O-N 3.28Å; C216-Y223 VanDerWaalsContact O-CE1 3.3Å; C216-Y223 WeakPolarHBondContact O-CE1 3.37Å; C216-F226 HydrophobicContact CB-CB 4.12Å; C216-F226 HydrophobicContact CB-CD1 4.2Å; C216-F226 HydrophobicContact CB-CD2 4.32Å; C216-F226 HydrophobicContact CB-CG 3.94Å |
| 217 | E | 88.8 | Confident | 87.9 | Confident | 37 Ų | 37 | 35 Ų | 35 | 17% | 0.173 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.3 | -41.1 | 175.7 | -170.5 | 173.5 | 162 | 0 | 0 | 112.6 | L213 D214 V215 R219 S261 L262 V265 | L213-E217 WeakPolarHBondContact O-CB 3.13Å; L213-E217 PolarHBondContact O-N 3.49Å; D214-E217 WeakPolarHBondContact O-CB 3.39Å; D214-E217 PolarHBondContact O-N 2.9Å; V215-E217 VanDerWaalsContact C-N 3.3Å; V215-E217 PolarHBondContact O-N 3.45Å; E217-R219 VanDerWaalsContact C-N 3.33Å; E217-S261 VanDerWaalsContact CG-CB 3.48Å; E217-S261 VanDerWaalsContact OE1-CB 3.29Å; E217-S261 WeakPolarHBondContact OE1-CB 3.41Å; E217-S261 PolarHBondContact OE1-OG 2.97Å; E217-L262 PolarHBondContact OE1-N 3.23Å; E217-V265 HydrophobicContact CB-CG2 3.86Å; E217-V265 HydrophobicContact CG-CG2 4.05Å |
| 218 | F | 86.5 | Confident | 87.6 | Confident | 183 Ų | 183 | 36.8 Ų | 36.8 | 80% | 0.803 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -70.3 | -28.2 | 175.3 | -166.3 | -103.5 | 0 | 0 | 0 | 113.2 | D214 V215 | D214-F218 PolarHBondContact O-N 3.37Å; V215-F218 PolarHBondContact O-N 3.28Å |
| 219 | R | 83.9 | Confident | 87.5 | Confident | 48 Ų | 48 | 36.8 Ų | 36.8 | 18% | 0.181 | 18% | 0.183 | C | C | . | . | trans | -114.7 | 60.9 | -172 | -64.6 | -153.6 | 64.8 | -171 | -4.9 | 114.1 | I181 V215 C216 E217 D221 M222 F226 | I181-R219 PolarHBondContact O-NH1 3.46Å; V215-R219 HydrophobicContact CG1-CG 4.34Å; V215-R219 VanDerWaalsContact O-CB 3.29Å; V215-R219 WeakPolarHBondContact O-CB 3.31Å; V215-R219 PolarHBondContact O-N 2.99Å; C216-R219 CarbonylContact O-C 3.56Å; C216-R219 PolarHBondContact O-N 3.28Å; E217-R219 VanDerWaalsContact C-N 3.33Å; R219-D221 VanDerWaalsContact CA-OD1 3.22Å; R219-D221 WeakPolarHBondContact CA-OD1 3.45Å; R219-D221 WeakPolarHBondContact CB-OD1 3.4Å; R219-D221 IonicContact CZ-OD2 3.05Å; R219-D221 IonicContact NE-OD1 2.61Å; R219-D221 PolarHBondContact NE-OD1 3.28Å; R219-D221 IonicContact NE-OD2 3.02Å; R219-D221 IonicContact NH2-OD1 2.89Å; R219-D221 IonicContact NH2-OD2 2.64Å; R219-D221 PolarHBondContact NH2-OD2 2.98Å; R219-D221 PolarHBondContact O-N 3.34Å; R219-M222 VanDerWaalsContact CZ-SD 3.55Å; R219-M222 PolarHBondContact NH2-SD 3.34Å; R219-M222 PolarHBondContact O-N 2.79Å; R219-F226 HydrophobicContact CB-CE2 3.74Å; R219-F226 HydrophobicContact CB-CZ 4.47Å | ||
| 220 | G | 77.1 | Confident | 87.4 | Confident | 35 Ų | 35 | 36.8 Ų | 36.8 | 36% | 0.361 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 0.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 221 | D | 81.6 | Confident | 87.3 | Confident | 107 Ų | 107 | 41.8 Ų | 41.8 | 57% | 0.572 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -33.8 | 166 | 58.6 | -44.8 | 0 | 0 | 0 | 112.6 | R219 | R219-D221 VanDerWaalsContact CA-OD1 3.22Å; R219-D221 WeakPolarHBondContact CA-OD1 3.45Å; R219-D221 WeakPolarHBondContact CB-OD1 3.4Å; R219-D221 IonicContact CZ-OD2 3.05Å; R219-D221 IonicContact NE-OD1 2.61Å; R219-D221 PolarHBondContact NE-OD1 3.28Å; R219-D221 IonicContact NE-OD2 3.02Å; R219-D221 IonicContact NH2-OD1 2.89Å; R219-D221 IonicContact NH2-OD2 2.64Å; R219-D221 PolarHBondContact NH2-OD2 2.98Å; R219-D221 PolarHBondContact O-N 3.34Å |
| 222 | M | 83 | Confident | 87.2 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -113.1 | 28.9 | -170.2 | -72 | -166 | 67.4 | 0 | 0 | 114.2 | I181 T182 M187 R219 E224 E225 F226 | I181-M222 HydrophobicContact CG2-CE 3.72Å; T182-M222 VanDerWaalsContact C-CE 3.48Å; M187-M222 HydrophobicContact CE-CE 4.29Å; R219-M222 VanDerWaalsContact CZ-SD 3.55Å; R219-M222 PolarHBondContact NH2-SD 3.34Å; R219-M222 PolarHBondContact O-N 2.79Å; M222-E224 VanDerWaalsContact C-N 3.27Å; M222-E224 PolarHBondContact O-N 2.73Å; M222-E225 WeakPolarHBondContact CA-OE2 3.47Å; M222-E225 HydrophobicContact CB-CB 4.35Å; M222-E225 HydrophobicContact CE-CB 3.59Å; M222-E225 HydrophobicContact CE-CG 3.56Å; M222-E225 WeakPolarHBondContact CE-OE1 3.32Å; M222-E225 PolarHBondContact O-N 2.79Å; M222-E225 VanDerWaalsContact O-N 3.16Å; M222-F226 HydrophobicContact CB-CD2 3.96Å; M222-F226 HydrophobicContact CB-CE2 3.94Å; M222-F226 VanDerWaalsContact O-CD2 3.29Å; M222-F226 WeakPolarHBondContact O-CD2 3.16Å; M222-F226 PolarHBondContact O-N 2.9Å | ||
| 223 | Y | 84.2 | Confident | 87.2 | Confident | 34 Ų | 34 | 45.3 Ų | 45.3 | 13% | 0.133 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.9 | -31.6 | -175.9 | -77.3 | -30.5 | 0 | 0 | 0 | 114.4 | C216 V227 V265 F268 | C216-Y223 VanDerWaalsContact O-CE1 3.3Å; C216-Y223 WeakPolarHBondContact O-CE1 3.37Å; Y223-V227 WeakPolarHBondContact O-CB 3.35Å; Y223-V227 WeakPolarHBondContact O-CG2 3.41Å; Y223-V227 PolarHBondContact O-N 3.49Å; Y223-V227 VanDerWaalsContact O-N 3.09Å; Y223-V265 HydrophobicContact CE1-CG2 3.82Å; Y223-F268 HydrophobicContact CD2-CD2 4.2Å; Y223-F268 HydrophobicContact CD2-CE2 4.43Å; Y223-F268 HydrophobicContact CD2-CG 4.28Å; Y223-F268 HydrophobicContact CG-CD1 4.33Å; Y223-F268 HydrophobicContact CG-CE1 4.41Å; Y223-F268 HydrophobicContact CG-CG 4.45Å; Y223-F268 WeakPolarHBondContact O-CE1 3.39Å |
| 224 | E | 84.2 | Confident | 87.2 | Confident | 80 Ų | 80 | 51.6 Ų | 51.6 | 37% | 0.374 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -72.8 | -38.6 | 177.6 | -66.4 | -68.4 | 168.5 | 0 | 0 | 111.7 | M222 V227 Q228 F268 K272 | M222-E224 VanDerWaalsContact C-N 3.27Å; M222-E224 PolarHBondContact O-N 2.73Å; E224-V227 PolarHBondContact O-N 2.96Å; E224-Q228 WeakPolarHBondContact O-CG 3.48Å; E224-Q228 PolarHBondContact O-N 2.78Å; E224-Q228 PolarHBondContact O-NE2 3.35Å; E224-F268 HydrophobicContact CG-CZ 4.44Å; E224-K272 WeakPolarHBondContact OE1-CE 3.32Å; E224-K272 IonicContact OE1-NZ 2.79Å; E224-K272 PolarHBondContact OE1-NZ 3.33Å; E224-K272 VanDerWaalsContact OE2-CE 3.28Å; E224-K272 WeakPolarHBondContact OE2-CE 3.42Å; E224-K272 IonicContact OE2-NZ 2.73Å; E224-K272 PolarHBondContact OE2-NZ 2.77Å |
| 225 | E | 86 | Confident | 87 | Confident | 33 Ų | 33 | 50.1 Ų | 50.1 | 15% | 0.154 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.6 | -44.1 | 176.8 | -62.1 | 96.6 | 131.9 | 0 | 0 | 111.4 | S183 M187 M222 V227 Q228 L229 | S183-E225 WeakPolarHBondContact CB-OE1 3.31Å; S183-E225 PolarHBondContact OG-OE1 3.44Å; M187-E225 HydrophobicContact CE-CB 3.74Å; M187-E225 HydrophobicContact CE-CG 4.03Å; M187-E225 HydrophobicContact SD-CB 4.04Å; M222-E225 WeakPolarHBondContact CA-OE2 3.47Å; M222-E225 HydrophobicContact CB-CB 4.35Å; M222-E225 HydrophobicContact CE-CB 3.59Å; M222-E225 HydrophobicContact CE-CG 3.56Å; M222-E225 WeakPolarHBondContact CE-OE1 3.32Å; M222-E225 PolarHBondContact O-N 2.79Å; M222-E225 VanDerWaalsContact O-N 3.16Å; E225-V227 VanDerWaalsContact C-N 3.27Å; E225-V227 PolarHBondContact O-N 2.95Å; E225-Q228 WeakPolarHBondContact O-CB 3.34Å; E225-Q228 PolarHBondContact O-N 3.2Å; E225-Q228 VanDerWaalsContact O-N 3.11Å; E225-L229 PolarHBondContact O-N 3.19Å |
| 226 | F | 88.1 | Confident | 86.9 | Confident | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.009 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.2 | -34.4 | 171.6 | -79.2 | -69.5 | 0 | 0 | 0 | 112.1 | I181 V215 C216 R219 M222 L229 I230 | I181-F226 HydrophobicContact CD1-CE1 3.93Å; I181-F226 HydrophobicContact CD1-CZ 4.16Å; V215-F226 HydrophobicContact CB-CE1 4.5Å; V215-F226 HydrophobicContact CB-CZ 4.47Å; V215-F226 HydrophobicContact CG1-CE1 4.13Å; V215-F226 HydrophobicContact CG1-CZ 3.7Å; C216-F226 HydrophobicContact CB-CB 4.12Å; C216-F226 HydrophobicContact CB-CD1 4.2Å; C216-F226 HydrophobicContact CB-CD2 4.32Å; C216-F226 HydrophobicContact CB-CG 3.94Å; R219-F226 HydrophobicContact CB-CE2 3.74Å; R219-F226 HydrophobicContact CB-CZ 4.47Å; M222-F226 HydrophobicContact CB-CD2 3.96Å; M222-F226 HydrophobicContact CB-CE2 3.94Å; M222-F226 VanDerWaalsContact O-CD2 3.29Å; M222-F226 WeakPolarHBondContact O-CD2 3.16Å; M222-F226 PolarHBondContact O-N 2.9Å; F226-L229 HydrophobicContact CD1-CD2 4.29Å; F226-L229 HydrophobicContact CE1-CD2 4.45Å; F226-L229 PolarHBondContact O-N 2.95Å; F226-I230 WeakPolarHBondContact O-CB 3.43Å; F226-I230 WeakPolarHBondContact O-CD1 3.36Å; F226-I230 VanDerWaalsContact O-CG1 3.23Å; F226-I230 WeakPolarHBondContact O-CG1 3.5Å; F226-I230 PolarHBondContact O-N 3.26Å |
| 227 | V | 87.8 | Confident | 86.8 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -70 | -30.8 | 173.2 | 158.5 | 0 | 0 | 0 | 0 | 113.1 | Y223 E224 E225 R231 F268 L269 K272 L274 | Y223-V227 WeakPolarHBondContact O-CB 3.35Å; Y223-V227 WeakPolarHBondContact O-CG2 3.41Å; Y223-V227 PolarHBondContact O-N 3.49Å; Y223-V227 VanDerWaalsContact O-N 3.09Å; E224-V227 PolarHBondContact O-N 2.96Å; E225-V227 VanDerWaalsContact C-N 3.27Å; E225-V227 PolarHBondContact O-N 2.95Å; V227-R231 WeakPolarHBondContact O-CB 3.36Å; V227-R231 WeakPolarHBondContact O-CD 3.22Å; V227-R231 WeakPolarHBondContact O-CG 3.26Å; V227-R231 PolarHBondContact O-N 3.5Å; V227-R231 VanDerWaalsContact O-N 3.15Å; V227-F268 HydrophobicContact CB-CE1 4.5Å; V227-F268 HydrophobicContact CG2-CD1 4.08Å; V227-F268 HydrophobicContact CG2-CE1 3.73Å; V227-L269 HydrophobicContact CG2-CD2 3.75Å; V227-K272 HydrophobicContact CG1-CB 4.29Å; V227-K272 HydrophobicContact CG1-CD 4.22Å; V227-K272 HydrophobicContact CG1-CG 4.13Å; V227-K272 HydrophobicContact CG2-CB 4.49Å; V227-K272 HydrophobicContact CG2-CG 4.16Å; V227-L274 HydrophobicContact CB-CD1 4.45Å; V227-L274 HydrophobicContact CG1-CD1 4.12Å; V227-L274 HydrophobicContact CG2-CD1 3.91Å |
| 228 | Q | 86.5 | Confident | 86.8 | Confident | 99 Ų | 99 | 62.8 Ų | 62.8 | 46% | 0.463 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67 | -45.6 | 168 | -70.9 | 170.1 | 65.3 | 0 | 0 | 111 | M187 E224 E225 I230 R231 L232 | M187-Q228 HydrophobicContact CB-CB 4.41Å; M187-Q228 HydrophobicContact CG-CB 4.08Å; E224-Q228 WeakPolarHBondContact O-CG 3.48Å; E224-Q228 PolarHBondContact O-N 2.78Å; E224-Q228 PolarHBondContact O-NE2 3.35Å; E225-Q228 WeakPolarHBondContact O-CB 3.34Å; E225-Q228 PolarHBondContact O-N 3.2Å; E225-Q228 VanDerWaalsContact O-N 3.11Å; Q228-I230 PolarHBondContact O-N 2.94Å; Q228-R231 WeakPolarHBondContact O-CB 2.95Å; Q228-R231 PolarHBondContact O-N 2.97Å; Q228-L232 WeakPolarHBondContact O-CG 3.33Å; Q228-L232 PolarHBondContact O-N 3.22Å |
| 229 | L | 89.6 | Confident | 86.8 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.5 | -45 | 177.7 | -172 | 64.2 | 0 | 0 | 0 | 112.2 | L178 I181 M187 V190 M191 I194 E225 F226 R231 L232 Y233 | L178-L229 HydrophobicContact CD2-CD2 3.98Å; I181-L229 HydrophobicContact CD1-CD2 3.97Å; M187-L229 HydrophobicContact SD-CB 4.49Å; V190-L229 HydrophobicContact CB-CD1 4.27Å; V190-L229 HydrophobicContact CG1-CD1 3.99Å; V190-L229 HydrophobicContact CG1-CD2 4.32Å; M191-L229 HydrophobicContact CB-CD1 4.16Å; M191-L229 HydrophobicContact SD-CD1 4.23Å; I194-L229 HydrophobicContact CD1-CD1 4.09Å; I194-L229 HydrophobicContact CD1-CD2 4.07Å; I194-L229 HydrophobicContact CD1-CG 4.45Å; E225-L229 PolarHBondContact O-N 3.19Å; F226-L229 HydrophobicContact CD1-CD2 4.29Å; F226-L229 HydrophobicContact CE1-CD2 4.45Å; F226-L229 PolarHBondContact O-N 2.95Å; L229-R231 VanDerWaalsContact C-N 3.31Å; L229-R231 PolarHBondContact O-N 2.92Å; L229-L232 CarbonylContact O-C 3.55Å; L229-L232 PolarHBondContact O-N 3.44Å; L229-L232 VanDerWaalsContact O-N 3.14Å; L229-Y233 WeakPolarHBondContact O-CB 3.49Å; L229-Y233 PolarHBondContact O-N 2.87Å |
| 230 | I | 90.8 | Very high | 87.1 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.6 | -36 | 176.6 | -69.3 | 163.7 | 0 | 0 | 0 | 111.4 | I212 L213 F226 Q228 Y233 N234 P235 M240 L269 L274 | I212-I230 HydrophobicContact CG2-CD1 4.43Å; I212-I230 HydrophobicContact CG2-CG1 3.96Å; L213-I230 HydrophobicContact CD2-CD1 4.24Å; F226-I230 WeakPolarHBondContact O-CB 3.43Å; F226-I230 WeakPolarHBondContact O-CD1 3.36Å; F226-I230 VanDerWaalsContact O-CG1 3.23Å; F226-I230 WeakPolarHBondContact O-CG1 3.5Å; F226-I230 PolarHBondContact O-N 3.26Å; Q228-I230 PolarHBondContact O-N 2.94Å; I230-Y233 WeakPolarHBondContact O-CB 3.39Å; I230-Y233 PolarHBondContact O-N 3.14Å; I230-N234 PolarHBondContact O-N 3.3Å; I230-P235 HydrophobicContact CG2-CG 4.39Å; I230-P235 WeakPolarHBondContact O-CD 3.47Å; I230-M240 HydrophobicContact CG2-CE 3.43Å; I230-M240 VanDerWaalsContact CG2-CE 3.43Å; I230-M240 HydrophobicContact CG2-SD 4.49Å; I230-L269 HydrophobicContact CD1-CD2 4.01Å; I230-L274 HydrophobicContact CB-CD1 4.49Å; I230-L274 HydrophobicContact CG2-CD1 3.98Å |
| 231 | R | 90.9 | Very high | 87.8 | Confident | 128 Ų | 128 | 53.6 Ų | 53.6 | 48% | 0.483 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.8 | -34 | 173.3 | -74.3 | 167.5 | 178.6 | 169.3 | 0.2 | 112.8 | V227 Q228 L229 N234 L274 | V227-R231 WeakPolarHBondContact O-CB 3.36Å; V227-R231 WeakPolarHBondContact O-CD 3.22Å; V227-R231 WeakPolarHBondContact O-CG 3.26Å; V227-R231 PolarHBondContact O-N 3.5Å; V227-R231 VanDerWaalsContact O-N 3.15Å; Q228-R231 WeakPolarHBondContact O-CB 2.95Å; Q228-R231 PolarHBondContact O-N 2.97Å; L229-R231 VanDerWaalsContact C-N 3.31Å; L229-R231 PolarHBondContact O-N 2.92Å; R231-N234 PolarHBondContact O-N 3.48Å; R231-L274 HydrophobicContact CG-CD2 4.08Å |
| 232 | L | 90.5 | Very high | 88.2 | Confident | 54 Ų | 54 | 51.5 Ų | 51.5 | 28% | 0.283 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -76 | -25.9 | 173.2 | -67.4 | 167.7 | 0 | 0 | 0 | 112.8 | M187 E188 M191 R195 Q228 L229 | M187-L232 HydrophobicContact CB-CD1 3.74Å; E188-L232 HydrophobicContact CG-CD1 3.94Å; E188-L232 HydrophobicContact CG-CD2 4.3Å; M191-L232 HydrophobicContact CB-CB 4.16Å; M191-L232 HydrophobicContact CG-CB 3.91Å; M191-L232 HydrophobicContact SD-CB 4.29Å; R195-L232 PolarHBondContact NH2-O 3.46Å; Q228-L232 WeakPolarHBondContact O-CG 3.33Å; Q228-L232 PolarHBondContact O-N 3.22Å; L229-L232 CarbonylContact O-C 3.55Å; L229-L232 PolarHBondContact O-N 3.44Å; L229-L232 VanDerWaalsContact O-N 3.14Å |
| 233 | Y | 91.3 | Very high | 88.6 | Confident | 32 Ų | 32 | 52.6 Ų | 52.6 | 13% | 0.125 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -69.4 | -38.3 | 170.2 | -160.6 | -76.3 | 0 | 0 | 0 | 111.3 | M191 I194 I198 P205 V208 L209 I212 L229 I230 P235 | M191-Y233 HydrophobicContact CE-CD2 3.52Å; M191-Y233 HydrophobicContact CE-CE2 4.1Å; M191-Y233 HydrophobicContact CE-CG 4Å; M191-Y233 HydrophobicContact SD-CD2 4.01Å; M191-Y233 HydrophobicContact SD-CG 4.42Å; I194-Y233 HydrophobicContact CG2-CE2 4.2Å; I198-Y233 HydrophobicContact CD1-CE2 4.15Å; P205-Y233 WeakPolarHBondContact CA-OH 3.39Å; P205-Y233 WeakPolarHBondContact CB-OH 3.49Å; P205-Y233 PolarHBondContact O-OH 2.94Å; V208-Y233 HydrophobicContact CG1-CE2 3.84Å; L209-Y233 HydrophobicContact CB-CE1 4.44Å; I212-Y233 HydrophobicContact CD1-CD2 3.57Å; I212-Y233 HydrophobicContact CD1-CE2 3.74Å; L229-Y233 WeakPolarHBondContact O-CB 3.49Å; L229-Y233 PolarHBondContact O-N 2.87Å; I230-Y233 WeakPolarHBondContact O-CB 3.39Å; I230-Y233 PolarHBondContact O-N 3.14Å; Y233-P235 HydrophobicContact CD1-CB 4.08Å; Y233-P235 HydrophobicContact CD1-CG 4.3Å; Y233-P235 HydrophobicContact CE1-CB 4.49Å |
| 234 | N | 90.7 | Very high | 88.9 | Confident | 133 Ų | 133 | 51 Ų | 51 | 71% | 0.711 | 24% | 0.244 | S | C | * | . | trans | 49.9 | 57.8 | -179.4 | -169.5 | 87.6 | 0 | 0 | 0 | 113.2 | I230 R231 | I230-N234 PolarHBondContact O-N 3.3Å; R231-N234 PolarHBondContact O-N 3.48Å | ||
| 235 | P | 86.7 | Confident | 89.3 | Confident | 30 Ų | 30 | 47.2 Ų | 47.2 | 20% | 0.195 | 23% | 0.226 | C | C | . | . | trans | -73.8 | 162.5 | 170.2 | 36 | -35.3 | 0 | 0 | 0 | 110.5 | L209 I230 Y233 M240 | L209-P235 HydrophobicContact CD1-CG 4.28Å; L209-P235 HydrophobicContact CD2-CB 3.54Å; L209-P235 HydrophobicContact CD2-CG 3.89Å; I230-P235 HydrophobicContact CG2-CG 4.39Å; I230-P235 WeakPolarHBondContact O-CD 3.47Å; Y233-P235 HydrophobicContact CD1-CB 4.08Å; Y233-P235 HydrophobicContact CD1-CG 4.3Å; Y233-P235 HydrophobicContact CE1-CB 4.49Å; P235-M240 HydrophobicContact CG-CE 3.49Å; P235-M240 VanDerWaalsContact CG-CE 3.49Å | ||
| 236 | D | 88.5 | Confident | 89.5 | Confident | 84 Ų | 84 | 50.9 Ų | 50.9 | 45% | 0.449 | 24% | 0.243 | S | C | . | . | trans | -69.3 | 148.9 | 167.2 | -177.4 | 54.6 | 0 | 0 | 0 | 111.3 | I238 D239 M240 | D236-I238 WeakPolarHBondContact OD2-CA 3.2Å; D236-I238 WeakPolarHBondContact OD2-CB 3.21Å; D236-I238 PolarHBondContact OD2-N 2.91Å; D236-D239 HydrophobicContact CB-CB 4.34Å; D236-M240 PolarHBondContact O-N 2.89Å | ||
| 237 | R | 87.1 | Confident | 89.7 | Confident | 139 Ų | 139 | 51.9 Ų | 51.9 | 53% | 0.525 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -70.8 | -35.5 | -178.7 | -60.6 | -168 | -178.3 | 179.8 | -1.6 | 112.5 | T241 K273 L274 | R237-T241 VanDerWaalsContact O-CB 3.31Å; R237-T241 WeakPolarHBondContact O-CB 3.24Å; R237-T241 PolarHBondContact O-N 3.43Å; R237-T241 PolarHBondContact O-OG1 2.89Å; R237-K273 VanDerWaalsContact CZ-O 3.22Å; R237-K273 PolarHBondContact NH2-O 3.22Å; R237-L274 WeakPolarHBondContact CG-O 3.48Å |
| 238 | I | 88.3 | Confident | 89.9 | Confident | 96 Ų | 96 | 51.9 Ų | 51.9 | 49% | 0.492 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -69.2 | -45.2 | 178.9 | -54 | 175.2 | 0 | 0 | 0 | 108.1 | D236 M240 T241 N242 | D236-I238 WeakPolarHBondContact OD2-CA 3.2Å; D236-I238 WeakPolarHBondContact OD2-CB 3.21Å; D236-I238 PolarHBondContact OD2-N 2.91Å; I238-M240 PolarHBondContact O-N 3.33Å; I238-T241 PolarHBondContact O-N 3.44Å; I238-N242 WeakPolarHBondContact O-CB 3.38Å; I238-N242 PolarHBondContact O-N 2.95Å; I238-N242 PolarHBondContact O-ND2 3.29Å |
| 239 | D | 86.5 | Confident | 90.1 | Very high | 70 Ų | 70 | 51 Ų | 51 | 37% | 0.374 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.1 | -45.2 | 175.6 | -73.8 | -25.6 | 0 | 0 | 0 | 113 | D236 T241 N242 I243 | D236-D239 HydrophobicContact CB-CB 4.34Å; D239-T241 VanDerWaalsContact C-N 3.3Å; D239-T241 PolarHBondContact O-N 3.39Å; D239-N242 PolarHBondContact O-N 3.07Å; D239-I243 WeakPolarHBondContact O-CD1 3.28Å; D239-I243 VanDerWaalsContact O-CG1 3.31Å; D239-I243 WeakPolarHBondContact O-CG1 3.48Å; D239-I243 PolarHBondContact O-N 2.99Å |
| 240 | M | 89.3 | Confident | 89.9 | Confident | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.015 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.3 | -41.2 | 174 | -172 | -165.6 | -55.2 | 0 | 0 | 111.9 | L209 I230 P235 D236 I238 I243 L244 L274 I275 | L209-M240 HydrophobicContact CD2-CB 4.36Å; L209-M240 HydrophobicContact CD2-CG 4.49Å; I230-M240 HydrophobicContact CG2-CE 3.43Å; I230-M240 VanDerWaalsContact CG2-CE 3.43Å; I230-M240 HydrophobicContact CG2-SD 4.49Å; P235-M240 HydrophobicContact CG-CE 3.49Å; P235-M240 VanDerWaalsContact CG-CE 3.49Å; D236-M240 PolarHBondContact O-N 2.89Å; I238-M240 PolarHBondContact O-N 3.33Å; M240-I243 PolarHBondContact O-N 3.32Å; M240-L244 PolarHBondContact O-N 3.09Å; M240-L244 VanDerWaalsContact O-N 3.16Å; M240-L274 HydrophobicContact CE-CB 4.09Å; M240-L274 HydrophobicContact SD-CB 4.04Å; M240-I275 HydrophobicContact SD-CG1 3.94Å |
| 241 | T | 91.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.7 | -38.2 | 179.9 | -51.8 | 0 | 0 | 0 | 0 | 111.5 | R237 I238 D239 L244 G245 I275 D276 V279 L280 | R237-T241 VanDerWaalsContact O-CB 3.31Å; R237-T241 WeakPolarHBondContact O-CB 3.24Å; R237-T241 PolarHBondContact O-N 3.43Å; R237-T241 PolarHBondContact O-OG1 2.89Å; I238-T241 PolarHBondContact O-N 3.44Å; D239-T241 VanDerWaalsContact C-N 3.3Å; D239-T241 PolarHBondContact O-N 3.39Å; T241-L244 PolarHBondContact O-N 2.97Å; T241-G245 PolarHBondContact O-N 3.14Å; T241-I275 HydrophobicContact CG2-CG2 3.91Å; T241-D276 PolarHBondContact OG1-N 2.98Å; T241-V279 HydrophobicContact CG2-CB 3.8Å; T241-V279 HydrophobicContact CG2-CG1 3.71Å; T241-L280 HydrophobicContact CG2-CB 3.7Å; T241-L280 HydrophobicContact CG2-CD1 4.14Å |
| 242 | N | 90.7 | Very high | 89.3 | Confident | 63 Ų | 63 | 54.7 Ų | 54.7 | 34% | 0.337 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63 | -41 | 174.2 | -70.5 | -22.9 | 0 | 0 | 0 | 111.8 | I238 D239 G245 H246 | I238-N242 WeakPolarHBondContact O-CB 3.38Å; I238-N242 PolarHBondContact O-N 2.95Å; I238-N242 PolarHBondContact O-ND2 3.29Å; D239-N242 PolarHBondContact O-N 3.07Å; N242-G245 PolarHBondContact O-N 3.24Å; N242-H246 WeakPolarHBondContact O-CB 3.33Å; N242-H246 PolarHBondContact O-N 2.75Å |
| 243 | I | 90.8 | Very high | 88.7 | Confident | 22 Ų | 22 | 57.9 Ų | 57.9 | 11% | 0.113 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 176.8 | -71.4 | 161.5 | 0 | 0 | 0 | 110.6 | N206 L209 D210 L213 D239 M240 H246 K247 | N206-I243 HydrophobicContact CB-CD1 4.08Å; L209-I243 HydrophobicContact CB-CD1 4.4Å; L209-I243 HydrophobicContact CD2-CD1 3.85Å; L209-I243 HydrophobicContact CG-CD1 4.3Å; D210-I243 HydrophobicContact CB-CG2 4.04Å; D210-I243 WeakPolarHBondContact OD1-CG2 3.42Å; L213-I243 HydrophobicContact CD1-CG2 3.93Å; D239-I243 WeakPolarHBondContact O-CD1 3.28Å; D239-I243 VanDerWaalsContact O-CG1 3.31Å; D239-I243 WeakPolarHBondContact O-CG1 3.48Å; D239-I243 PolarHBondContact O-N 2.99Å; M240-I243 PolarHBondContact O-N 3.32Å; I243-H246 WeakPolarHBondContact O-CB 3.38Å; I243-H246 PolarHBondContact O-N 2.95Å; I243-K247 PolarHBondContact O-N 2.86Å |
| 244 | L | 91.6 | Very high | 87.7 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.9 | -37.4 | 176.1 | -72.6 | 166.2 | 0 | 0 | 0 | 112.5 | L213 M240 T241 H246 K247 Y248 L262 L269 I275 L280 | L213-L244 HydrophobicContact CD1-CD1 4.35Å; L213-L244 HydrophobicContact CD1-CD2 4.1Å; L213-L244 HydrophobicContact CD1-CG 3.99Å; L213-L244 HydrophobicContact CD2-CD1 4.44Å; M240-L244 PolarHBondContact O-N 3.09Å; M240-L244 VanDerWaalsContact O-N 3.16Å; T241-L244 PolarHBondContact O-N 2.97Å; L244-H246 PolarHBondContact O-N 3.01Å; L244-K247 HydrophobicContact CD2-CD 4.14Å; L244-K247 WeakPolarHBondContact O-CB 3.3Å; L244-K247 PolarHBondContact O-N 3.47Å; L244-K247 VanDerWaalsContact O-N 3.11Å; L244-Y248 WeakPolarHBondContact O-CD2 3.41Å; L244-Y248 PolarHBondContact O-N 2.87Å; L244-L262 HydrophobicContact CD2-CD1 4.02Å; L244-L269 HydrophobicContact CD1-CD1 4.05Å; L244-I275 HydrophobicContact CD1-CD1 3.23Å; L244-I275 HydrophobicContact CD1-CG1 4Å; L244-L280 HydrophobicContact CB-CD1 4.39Å |
| 245 | G | 91.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.9 | -38 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T241 N242 Y248 H249 | T241-G245 PolarHBondContact O-N 3.14Å; N242-G245 PolarHBondContact O-N 3.24Å; G245-Y248 PolarHBondContact O-N 2.75Å; G245-H249 PolarHBondContact O-CD2 2.76Å; G245-H249 PolarHBondContact O-N 2.76Å |
| 246 | H | 90.9 | Very high | 86.5 | Confident | 111 Ų | 111 | 62 Ų | 62 | 51% | 0.514 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -70.2 | -33.9 | 174.3 | -161 | -54.6 | 0 | 0 | 0 | 112.9 | N242 I243 L244 F250 | N242-H246 WeakPolarHBondContact O-CB 3.33Å; N242-H246 PolarHBondContact O-N 2.75Å; I243-H246 WeakPolarHBondContact O-CB 3.38Å; I243-H246 PolarHBondContact O-N 2.95Å; L244-H246 PolarHBondContact O-N 3.01Å; H246-F250 AromaticContact CE1-CE2 3.35Å; H246-F250 WeakPolarHBondContact CE1-CE2 3.32Å; H246-F250 AromaticContact CE1-CZ 3.58Å; H246-F250 AromaticContact ND1-CD2 3.65Å; H246-F250 AromaticContact ND1-CE2 3.28Å; H246-F250 VanDerWaalsContact ND1-CE2 3.28Å; H246-F250 WeakPolarHBondContact ND1-CE2 3.48Å; H246-F250 AromaticContact ND1-CZ 3.99Å; H246-F250 VanDerWaalsContact O-CD2 3.31Å; H246-F250 WeakPolarHBondContact O-CD2 3.45Å; H246-F250 PolarHBondContact O-N 3.18Å |
| 247 | K | 91 | Very high | 86.2 | Confident | 23 Ų | 23 | 63.8 Ų | 63.8 | 10% | 0.1 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.3 | -45.1 | 168 | -64.2 | -163.7 | -163.3 | -72.6 | 0 | 110.8 | D210 D214 I243 L244 H249 F250 T251 L262 | D210-K247 VanDerWaalsContact CG-NZ 3.34Å; D210-K247 PolarHBondContact O-NZ 3.07Å; D210-K247 WeakPolarHBondContact OD1-CE 3.31Å; D210-K247 IonicContact OD1-NZ 3.36Å; D210-K247 PolarHBondContact OD1-NZ 3.05Å; D210-K247 IonicContact OD2-NZ 3.97Å; D214-K247 VanDerWaalsContact CG-NZ 3.29Å; D214-K247 IonicContact OD1-NZ 3.99Å; D214-K247 PolarHBondContact OD1-NZ 3.31Å; D214-K247 IonicContact OD2-NZ 2.68Å; I243-K247 PolarHBondContact O-N 2.86Å; L244-K247 HydrophobicContact CD2-CD 4.14Å; L244-K247 WeakPolarHBondContact O-CB 3.3Å; L244-K247 PolarHBondContact O-N 3.47Å; L244-K247 VanDerWaalsContact O-N 3.11Å; K247-H249 PolarHBondContact O-N 2.91Å; K247-F250 PolarHBondContact O-N 3.07Å; K247-T251 PolarHBondContact O-N 3.25Å; K247-L262 HydrophobicContact CB-CD1 4.25Å; K247-L262 HydrophobicContact CB-CD2 4.19Å; K247-L262 HydrophobicContact CD-CD1 4.11Å |
| 248 | Y | 92.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.7 | -40.3 | 175.8 | -80.9 | -69.1 | 0 | 0 | 0 | 112.8 | L244 G245 F250 T251 Q252 T258 L262 Y263 S266 L280 L284 Q419 | L244-Y248 WeakPolarHBondContact O-CD2 3.41Å; L244-Y248 PolarHBondContact O-N 2.87Å; G245-Y248 PolarHBondContact O-N 2.75Å; Y248-F250 VanDerWaalsContact C-N 3.35Å; Y248-F250 PolarHBondContact O-N 3.25Å; Y248-T251 WeakPolarHBondContact CA-OG1 3.38Å; Y248-T251 CarbonylContact O-C 3.58Å; Y248-T251 WeakPolarHBondContact O-CA 3.12Å; Y248-T251 PolarHBondContact O-N 3.22Å; Y248-T251 PolarHBondContact O-OG1 2.91Å; Y248-Q252 WeakPolarHBondContact O-CG 3.35Å; Y248-Q252 PolarHBondContact O-N 2.97Å; Y248-T258 HydrophobicContact CD1-CG2 3.88Å; Y248-T258 HydrophobicContact CE1-CG2 3.78Å; Y248-L262 HydrophobicContact CD1-CD2 3.83Å; Y248-L262 HydrophobicContact CD1-CG 4.49Å; Y248-L262 HydrophobicContact CD2-CD2 4.42Å; Y248-L262 HydrophobicContact CE1-CD2 3.8Å; Y248-L262 HydrophobicContact CE1-CG 3.99Å; Y248-L262 HydrophobicContact CE2-CD2 4.36Å; Y248-L262 HydrophobicContact CE2-CG 4.22Å; Y248-L262 HydrophobicContact CG-CD2 4.15Å; Y248-L262 PolarHBondContact OH-O 2.91Å; Y248-Y263 AromaticContact CE1-CD1 3.82Å; Y248-Y263 HydrophobicContact CE1-CD1 3.82Å; Y248-Y263 AromaticContact CE1-CE1 3.66Å; Y248-Y263 HydrophobicContact CE1-CE1 3.66Å; Y248-Y263 WeakPolarHBondContact OH-CD1 3.46Å; Y248-S266 WeakPolarHBondContact CE2-OG 3.25Å; Y248-S266 VanDerWaalsContact OH-CB 3.27Å; Y248-S266 WeakPolarHBondContact OH-CB 3.47Å; Y248-S266 PolarHBondContact OH-OG 2.91Å; Y248-L280 HydrophobicContact CD2-CD1 3.96Å; Y248-L280 HydrophobicContact CE2-CD1 4.04Å; Y248-L280 HydrophobicContact CE2-CD2 4.2Å; Y248-L284 HydrophobicContact CD1-CD2 3.85Å; Y248-L284 HydrophobicContact CD2-CD2 3.72Å; Y248-L284 HydrophobicContact CE1-CD2 4.03Å; Y248-L284 HydrophobicContact CE2-CD2 3.93Å; Y248-L284 HydrophobicContact CG-CD2 3.69Å; Y248-Q419 HydrophobicContact CD1-CB 4.48Å; Y248-Q419 HydrophobicContact CD1-CG 4.28Å; Y248-Q419 PolarHBondContact O-NE2 3.5Å; Y248-Q419 VanDerWaalsContact O-NE2 3.15Å |
| 249 | H | 90.3 | Very high | 86.3 | Confident | 82 Ų | 82 | 55.8 Ų | 55.8 | 38% | 0.38 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.1 | -35.7 | 175.9 | -73.1 | -48.3 | 0 | 0 | 0 | 113.5 | G245 K247 T251 Q252 H283 | G245-H249 PolarHBondContact O-CD2 2.76Å; G245-H249 PolarHBondContact O-N 2.76Å; K247-H249 PolarHBondContact O-N 2.91Å; H249-T251 PolarHBondContact O-N 3.07Å; H249-Q252 PolarHBondContact ND1-OE1 2.82Å; H249-Q252 WeakPolarHBondContact O-CB 3.29Å; H249-Q252 PolarHBondContact O-N 3.02Å; H249-H283 AromaticContact CD2-ND1 3.7Å; H249-H283 AromaticContact CE1-ND1 3.91Å; H249-H283 PolarHBondContact CE1-O 2.92Å; H249-H283 AromaticContact NE2-CE1 3.96Å; H249-H283 AromaticContact NE2-CG 3.81Å; H249-H283 AromaticContact NE2-ND1 2.94Å; H249-H283 PolarHBondContact NE2-ND1 3.46Å |
| 250 | F | 85.8 | Confident | 86.3 | Confident | 134 Ų | 134 | 56.6 Ų | 56.6 | 59% | 0.588 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -63.9 | -27.3 | 172.1 | -79.4 | -59.5 | 0 | 0 | 0 | 113 | H246 K247 Y248 Q252 | H246-F250 AromaticContact CE1-CE2 3.35Å; H246-F250 WeakPolarHBondContact CE1-CE2 3.32Å; H246-F250 AromaticContact CE1-CZ 3.58Å; H246-F250 AromaticContact ND1-CD2 3.65Å; H246-F250 AromaticContact ND1-CE2 3.28Å; H246-F250 VanDerWaalsContact ND1-CE2 3.28Å; H246-F250 WeakPolarHBondContact ND1-CE2 3.48Å; H246-F250 AromaticContact ND1-CZ 3.99Å; H246-F250 VanDerWaalsContact O-CD2 3.31Å; H246-F250 WeakPolarHBondContact O-CD2 3.45Å; H246-F250 PolarHBondContact O-N 3.18Å; K247-F250 PolarHBondContact O-N 3.07Å; Y248-F250 VanDerWaalsContact C-N 3.35Å; Y248-F250 PolarHBondContact O-N 3.25Å; F250-Q252 VanDerWaalsContact C-N 3.3Å |
| 251 | T | 85.2 | Confident | 86.3 | Confident | 16 Ų | 16 | 58.5 Ų | 58.5 | 10% | 0.098 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 12.2 | 176.7 | 56.6 | 0 | 0 | 0 | 0 | 114.1 | K247 Y248 H249 T258 N417 Q419 | K247-T251 PolarHBondContact O-N 3.25Å; Y248-T251 WeakPolarHBondContact CA-OG1 3.38Å; Y248-T251 CarbonylContact O-C 3.58Å; Y248-T251 WeakPolarHBondContact O-CA 3.12Å; Y248-T251 PolarHBondContact O-N 3.22Å; Y248-T251 PolarHBondContact O-OG1 2.91Å; H249-T251 PolarHBondContact O-N 3.07Å; T251-T258 WeakPolarHBondContact CB-OG1 3.38Å; T251-T258 HydrophobicContact CG2-CG2 4.38Å; T251-T258 PolarHBondContact OG1-OG1 3.21Å; T251-N417 PolarHBondContact O-ND2 2.97Å; T251-Q419 PolarHBondContact OG1-NE2 3.06Å; T251-Q419 VanDerWaalsContact OG1-NE2 3.07Å |
| 252 | Q | 84.5 | Confident | 86.3 | Confident | 56 Ų | 56 | 58.7 Ų | 58.7 | 26% | 0.262 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 2.4 | 175.9 | -68.7 | 165.3 | 7.7 | 0 | 0 | 113 | Y248 H249 F250 H283 T285 | Y248-Q252 WeakPolarHBondContact O-CG 3.35Å; Y248-Q252 PolarHBondContact O-N 2.97Å; H249-Q252 PolarHBondContact ND1-OE1 2.82Å; H249-Q252 WeakPolarHBondContact O-CB 3.29Å; H249-Q252 PolarHBondContact O-N 3.02Å; F250-Q252 VanDerWaalsContact C-N 3.3Å; Q252-H283 PolarHBondContact NE2-O 3.08Å; Q252-T285 VanDerWaalsContact CD-CG2 3.42Å; Q252-T285 HydrophobicContact CG-CG2 3.79Å; Q252-T285 WeakPolarHBondContact CG-OG1 3.42Å |
| 253 | E | 77.7 | Confident | 86.4 | Confident | 120 Ų | 120 | 56 Ų | 56 | 56% | 0.561 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -69.6 | 139.2 | 174.6 | -66.3 | -168.1 | 171.8 | 0 | 0 | 111.7 | G255 V256 | E253-G255 PolarHBondContact O-N 2.88Å; E253-V256 HydrophobicContact CB-CG2 4.05Å; E253-V256 WeakPolarHBondContact O-CB 3.37Å; E253-V256 PolarHBondContact O-N 2.82Å |
| 254 | P | 70.2 | Confident | 86.3 | Confident | 140 Ų | 140 | 58.5 Ų | 58.5 | 91% | 0.909 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 121 | -177.5 | -27.4 | 35.5 | 0 | 0 | 0 | 113.6 | ||
| 255 | G | 73.2 | Confident | 86.3 | Confident | 83 Ų | 83 | 58.6 Ų | 58.6 | 86% | 0.856 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.2 | -1.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | E253 | E253-G255 PolarHBondContact O-N 2.88Š|
| 256 | V | 79.4 | Confident | 86.3 | Confident | 58 Ų | 58 | 58.6 Ų | 58.6 | 35% | 0.352 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -95 | 120.8 | 169.6 | -177.9 | 0 | 0 | 0 | 0 | 109.1 | E253 N417 | E253-V256 HydrophobicContact CB-CG2 4.05Å; E253-V256 WeakPolarHBondContact O-CB 3.37Å; E253-V256 PolarHBondContact O-N 2.82Å; V256-N417 PolarHBondContact O-ND2 3.25Å |
| 257 | N | 82.7 | Confident | 86.3 | Confident | 123 Ų | 123 | 53.3 Ų | 53.3 | 66% | 0.658 | 30% | 0.299 | S | S | * | . | P | Polyproline II helix | trans | -89.8 | 137.6 | 171.8 | -74.6 | -13.8 | 0 | 0 | 0 | 110.6 | ||
| 258 | T | 87.2 | Confident | 86.2 | Confident | 12 Ų | 12 | 53 Ų | 53 | 7% | 0.074 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 127.6 | 175.9 | -51 | 0 | 0 | 0 | 0 | 110.8 | Y248 T251 L262 Y263 N417 Q419 | Y248-T258 HydrophobicContact CD1-CG2 3.88Å; Y248-T258 HydrophobicContact CE1-CG2 3.78Å; T251-T258 WeakPolarHBondContact CB-OG1 3.38Å; T251-T258 HydrophobicContact CG2-CG2 4.38Å; T251-T258 PolarHBondContact OG1-OG1 3.21Å; T258-L262 HydrophobicContact CG2-CD2 4.06Å; T258-Y263 VanDerWaalsContact CB-OH 3.26Å; T258-Y263 WeakPolarHBondContact CB-OH 3.41Å; T258-Y263 HydrophobicContact CG2-CE1 3.91Å; T258-Y263 HydrophobicContact CG2-CE2 3.87Å; T258-N417 VanDerWaalsContact CB-OD1 3.31Å; T258-N417 WeakPolarHBondContact CB-OD1 3.26Å; T258-N417 PolarHBondContact N-OD1 2.95Å; T258-N417 PolarHBondContact OG1-OD1 3.3Å; T258-Q419 PolarHBondContact OG1-NE2 3.26Å |
| 259 | P | 89 | Confident | 86.1 | Confident | 54 Ų | 54 | 53 Ų | 53 | 35% | 0.351 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 141.6 | -178.9 | -25.4 | 35.3 | 0 | 0 | 0 | 114.3 | S261 L262 Y263 | P259-S261 WeakPolarHBondContact CB-OG 3.26Å; P259-S261 PolarHBondContact O-N 3.24Å; P259-L262 PolarHBondContact O-N 3.02Å; P259-L262 VanDerWaalsContact O-N 3.16Å; P259-Y263 WeakPolarHBondContact O-CD2 3.37Å |
| 260 | E | 86.8 | Confident | 86.1 | Confident | 88 Ų | 88 | 49.3 Ų | 49.3 | 41% | 0.411 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.3 | -27.4 | 176 | -153.1 | -147.4 | 165.8 | 0 | 0 | 112.6 | K264 R429 | E260-K264 WeakPolarHBondContact O-CG 3.38Å; E260-K264 PolarHBondContact O-N 2.84Å; E260-K264 VanDerWaalsContact O-N 3.1Å; E260-K264 WeakPolarHBondContact OE1-CE 3.22Å; E260-K264 IonicContact OE1-NZ 2.8Å; E260-K264 PolarHBondContact OE1-NZ 3.28Å; E260-K264 IonicContact OE2-NZ 3.43Å; E260-K264 PolarHBondContact OE2-NZ 3.43Å; E260-R429 IonicContact OE1-NH1 3.77Å; E260-R429 PolarHBondContact OE1-NH1 3.18Å |
| 261 | S | 89.8 | Confident | 86.1 | Confident | 42 Ų | 42 | 45.8 Ų | 45.8 | 29% | 0.294 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.2 | -40.2 | 176 | 45.6 | 0 | 0 | 0 | 0 | 112.5 | E217 P259 K264 V265 | E217-S261 VanDerWaalsContact CG-CB 3.48Å; E217-S261 VanDerWaalsContact OE1-CB 3.29Å; E217-S261 WeakPolarHBondContact OE1-CB 3.41Å; E217-S261 PolarHBondContact OE1-OG 2.97Å; P259-S261 WeakPolarHBondContact CB-OG 3.26Å; P259-S261 PolarHBondContact O-N 3.24Å; S261-K264 PolarHBondContact O-N 3.24Å; S261-V265 WeakPolarHBondContact O-CG2 3.45Å; S261-V265 PolarHBondContact O-N 3.02Å |
| 262 | L | 91.8 | Very high | 86.2 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.5 | -39.7 | 177.2 | -177.1 | 60.3 | 0 | 0 | 0 | 111.9 | E217 L244 K247 Y248 T258 P259 S266 | E217-L262 PolarHBondContact OE1-N 3.23Å; L244-L262 HydrophobicContact CD2-CD1 4.02Å; K247-L262 HydrophobicContact CB-CD1 4.25Å; K247-L262 HydrophobicContact CB-CD2 4.19Å; K247-L262 HydrophobicContact CD-CD1 4.11Å; Y248-L262 HydrophobicContact CD1-CD2 3.83Å; Y248-L262 HydrophobicContact CD1-CG 4.49Å; Y248-L262 HydrophobicContact CD2-CD2 4.42Å; Y248-L262 HydrophobicContact CE1-CD2 3.8Å; Y248-L262 HydrophobicContact CE1-CG 3.99Å; Y248-L262 HydrophobicContact CE2-CD2 4.36Å; Y248-L262 HydrophobicContact CE2-CG 4.22Å; Y248-L262 HydrophobicContact CG-CD2 4.15Å; Y248-L262 PolarHBondContact OH-O 2.91Å; T258-L262 HydrophobicContact CG2-CD2 4.06Å; P259-L262 PolarHBondContact O-N 3.02Å; P259-L262 VanDerWaalsContact O-N 3.16Å; L262-S266 VanDerWaalsContact O-CB 3.27Å; L262-S266 WeakPolarHBondContact O-CB 3.34Å; L262-S266 PolarHBondContact O-N 3.29Å; L262-S266 PolarHBondContact O-OG 2.96Å |
| 263 | Y | 92 | Very high | 86.4 | Confident | 6 Ų | 6 | 48.9 Ų | 48.9 | 2% | 0.024 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 172.7 | -61.6 | -58.5 | 0 | 0 | 0 | 111.8 | Y248 T258 P259 S266 A267 Q419 E422 L423 | Y248-Y263 AromaticContact CE1-CD1 3.82Å; Y248-Y263 HydrophobicContact CE1-CD1 3.82Å; Y248-Y263 AromaticContact CE1-CE1 3.66Å; Y248-Y263 HydrophobicContact CE1-CE1 3.66Å; Y248-Y263 WeakPolarHBondContact OH-CD1 3.46Å; T258-Y263 VanDerWaalsContact CB-OH 3.26Å; T258-Y263 WeakPolarHBondContact CB-OH 3.41Å; T258-Y263 HydrophobicContact CG2-CE1 3.91Å; T258-Y263 HydrophobicContact CG2-CE2 3.87Å; P259-Y263 WeakPolarHBondContact O-CD2 3.37Å; Y263-S266 PolarHBondContact O-N 2.97Å; Y263-A267 VanDerWaalsContact O-CB 3.27Å; Y263-A267 WeakPolarHBondContact O-CB 3.39Å; Y263-A267 PolarHBondContact O-N 2.91Å; Y263-Q419 HydrophobicContact CE1-CB 4.13Å; Y263-Q419 HydrophobicContact CE1-CG 4.46Å; Y263-Q419 WeakPolarHBondContact CE1-O 3.45Å; Y263-Q419 WeakPolarHBondContact OH-CA 3.4Å; Y263-E422 HydrophobicContact CD1-CB 4.24Å; Y263-E422 HydrophobicContact CD2-CB 3.78Å; Y263-E422 HydrophobicContact CE1-CB 3.89Å; Y263-E422 HydrophobicContact CE2-CB 3.42Å; Y263-E422 VanDerWaalsContact CE2-CB 3.42Å; Y263-E422 HydrophobicContact CE2-CG 4.11Å; Y263-E422 HydrophobicContact CG-CB 4.19Å; Y263-E422 VanDerWaalsContact CZ-CB 3.46Å; Y263-L423 HydrophobicContact CD1-CB 3.99Å; Y263-L423 HydrophobicContact CE1-CB 4.48Å |
| 264 | K | 89.8 | Confident | 86.9 | Confident | 76 Ų | 76 | 44.2 Ų | 44.2 | 33% | 0.33 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.6 | -47.9 | 177.4 | -76 | 165.6 | 175.2 | 166.4 | 0 | 112.3 | E260 S261 F268 | E260-K264 WeakPolarHBondContact O-CG 3.38Å; E260-K264 PolarHBondContact O-N 2.84Å; E260-K264 VanDerWaalsContact O-N 3.1Å; E260-K264 WeakPolarHBondContact OE1-CE 3.22Å; E260-K264 IonicContact OE1-NZ 2.8Å; E260-K264 PolarHBondContact OE1-NZ 3.28Å; E260-K264 IonicContact OE2-NZ 3.43Å; E260-K264 PolarHBondContact OE2-NZ 3.43Å; S261-K264 PolarHBondContact O-N 3.24Å; K264-F268 WeakPolarHBondContact O-CB 3.38Å; K264-F268 PolarHBondContact O-N 3.03Å |
| 265 | V | 90.4 | Very high | 87.8 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.012 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.2 | -50.6 | 174.5 | 170.4 | 0 | 0 | 0 | 0 | 110.9 | E217 Y223 S261 A267 F268 L269 | E217-V265 HydrophobicContact CB-CG2 3.86Å; E217-V265 HydrophobicContact CG-CG2 4.05Å; Y223-V265 HydrophobicContact CE1-CG2 3.82Å; S261-V265 WeakPolarHBondContact O-CG2 3.45Å; S261-V265 PolarHBondContact O-N 3.02Å; V265-A267 PolarHBondContact O-N 2.77Å; V265-F268 PolarHBondContact O-N 3.39Å; V265-L269 HydrophobicContact CG1-CD1 3.6Å; V265-L269 HydrophobicContact CG1-CG 4.23Å; V265-L269 WeakPolarHBondContact O-CB 3.33Å; V265-L269 WeakPolarHBondContact O-CG 3.34Å; V265-L269 PolarHBondContact O-N 3.07Å |
| 266 | S | 92.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.1 | -47.5 | -176.9 | -59.5 | 0 | 0 | 0 | 0 | 111.5 | Y248 L262 Y263 F268 L269 I270 | Y248-S266 WeakPolarHBondContact CE2-OG 3.25Å; Y248-S266 VanDerWaalsContact OH-CB 3.27Å; Y248-S266 WeakPolarHBondContact OH-CB 3.47Å; Y248-S266 PolarHBondContact OH-OG 2.91Å; L262-S266 VanDerWaalsContact O-CB 3.27Å; L262-S266 WeakPolarHBondContact O-CB 3.34Å; L262-S266 PolarHBondContact O-N 3.29Å; L262-S266 PolarHBondContact O-OG 2.96Å; Y263-S266 PolarHBondContact O-N 2.97Å; S266-F268 PolarHBondContact O-N 3.33Å; S266-L269 PolarHBondContact O-N 3.5Å; S266-I270 WeakPolarHBondContact O-CB 3.45Å; S266-I270 WeakPolarHBondContact O-CD1 3.28Å; S266-I270 WeakPolarHBondContact O-CG1 3.36Å; S266-I270 PolarHBondContact O-N 2.73Å |
| 267 | A | 90.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.5 | -38.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y263 V265 W271 L423 A426 M427 L430 | Y263-A267 VanDerWaalsContact O-CB 3.27Å; Y263-A267 WeakPolarHBondContact O-CB 3.39Å; Y263-A267 PolarHBondContact O-N 2.91Å; V265-A267 PolarHBondContact O-N 2.77Å; A267-W271 WeakPolarHBondContact O-CB 3.28Å; A267-W271 PolarHBondContact O-N 3.17Å; A267-L423 HydrophobicContact CB-CD1 4.14Å; A267-A426 HydrophobicContact CB-CB 3.99Å; A267-M427 HydrophobicContact CB-CG 3.75Å; A267-L430 HydrophobicContact CB-CD1 3.62Å |
| 268 | F | 89.3 | Confident | 89.3 | Confident | 16 Ų | 16 | 33.5 Ų | 33.5 | 7% | 0.07 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.8 | -42.8 | 176.6 | -169.4 | -92.9 | 0 | 0 | 0 | 112.6 | Y223 E224 V227 K264 V265 S266 I270 W271 K272 L430 | Y223-F268 HydrophobicContact CD2-CD2 4.2Å; Y223-F268 HydrophobicContact CD2-CE2 4.43Å; Y223-F268 HydrophobicContact CD2-CG 4.28Å; Y223-F268 HydrophobicContact CG-CD1 4.33Å; Y223-F268 HydrophobicContact CG-CE1 4.41Å; Y223-F268 HydrophobicContact CG-CG 4.45Å; Y223-F268 WeakPolarHBondContact O-CE1 3.39Å; E224-F268 HydrophobicContact CG-CZ 4.44Å; V227-F268 HydrophobicContact CB-CE1 4.5Å; V227-F268 HydrophobicContact CG2-CD1 4.08Å; V227-F268 HydrophobicContact CG2-CE1 3.73Å; K264-F268 WeakPolarHBondContact O-CB 3.38Å; K264-F268 PolarHBondContact O-N 3.03Å; V265-F268 PolarHBondContact O-N 3.39Å; S266-F268 PolarHBondContact O-N 3.33Å; F268-I270 VanDerWaalsContact C-N 3.34Å; F268-W271 AromaticContact CD2-CE3 3.9Å; F268-W271 HydrophobicContact CD2-CE3 3.9Å; F268-W271 HydrophobicContact CD2-CZ3 4.18Å; F268-W271 AromaticContact CE2-CE3 3.75Å; F268-W271 HydrophobicContact CE2-CE3 3.75Å; F268-W271 AromaticContact CE2-CZ3 3.57Å; F268-W271 HydrophobicContact CE2-CZ3 3.57Å; F268-W271 HydrophobicContact CZ-CE3 4.29Å; F268-W271 HydrophobicContact CZ-CZ3 4.04Å; F268-W271 WeakPolarHBondContact O-CB 3.41Å; F268-W271 PolarHBondContact O-N 3.47Å; F268-K272 HydrophobicContact CD1-CG 4.03Å; F268-K272 HydrophobicContact CE1-CD 4.34Å; F268-K272 HydrophobicContact CE1-CG 3.8Å; F268-K272 HydrophobicContact CZ-CD 4.47Å; F268-K272 HydrophobicContact CZ-CG 4.32Å; F268-K272 WeakPolarHBondContact O-CB 3.45Å; F268-K272 VanDerWaalsContact O-CG 3.27Å; F268-K272 WeakPolarHBondContact O-CG 3.29Å; F268-K272 PolarHBondContact O-N 2.97Å; F268-L430 HydrophobicContact CB-CD1 4.11Å; F268-L430 HydrophobicContact CD2-CD2 4.45Å |
| 269 | L | 90.5 | Very high | 89.5 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -69.2 | -31.2 | 177.8 | -69 | 175.6 | 0 | 0 | 0 | 112.5 | L213 V227 I230 L244 V265 S266 K273 L274 I275 | L213-L269 HydrophobicContact CD2-CD1 3.63Å; V227-L269 HydrophobicContact CG2-CD2 3.75Å; I230-L269 HydrophobicContact CD1-CD2 4.01Å; L244-L269 HydrophobicContact CD1-CD1 4.05Å; V265-L269 HydrophobicContact CG1-CD1 3.6Å; V265-L269 HydrophobicContact CG1-CG 4.23Å; V265-L269 WeakPolarHBondContact O-CB 3.33Å; V265-L269 WeakPolarHBondContact O-CG 3.34Å; V265-L269 PolarHBondContact O-N 3.07Å; S266-L269 PolarHBondContact O-N 3.5Å; L269-K273 PolarHBondContact O-N 2.56Å; L269-L274 HydrophobicContact CD2-CD1 3.7Å; L269-L274 PolarHBondContact O-N 2.77Å; L269-I275 HydrophobicContact CB-CD1 3.36Å; L269-I275 HydrophobicContact CB-CG1 3.87Å; L269-I275 HydrophobicContact CD1-CD1 3.95Å; L269-I275 HydrophobicContact CG-CD1 4.31Å; L269-I275 PolarHBondContact O-N 2.89Å |
| 270 | I | 90.5 | Very high | 89.6 | Confident | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.7 | -47.8 | 168.8 | -70 | 165.3 | 0 | 0 | 0 | 110.7 | S266 F268 K272 K273 I275 L277 L280 L423 M427 N435 | S266-I270 WeakPolarHBondContact O-CB 3.45Å; S266-I270 WeakPolarHBondContact O-CD1 3.28Å; S266-I270 WeakPolarHBondContact O-CG1 3.36Å; S266-I270 PolarHBondContact O-N 2.73Å; F268-I270 VanDerWaalsContact C-N 3.34Å; I270-K272 VanDerWaalsContact C-N 3.26Å; I270-K272 PolarHBondContact O-N 2.97Å; I270-K273 WeakPolarHBondContact O-CA 3.45Å; I270-K273 PolarHBondContact O-N 3.27Å; I270-I275 HydrophobicContact CD1-CG2 4.19Å; I270-I275 HydrophobicContact CG1-CB 3.73Å; I270-I275 HydrophobicContact CG1-CD1 4.33Å; I270-I275 HydrophobicContact CG1-CG2 3.62Å; I270-L277 HydrophobicContact CD1-CD1 4.22Å; I270-L277 HydrophobicContact CG2-CB 4.41Å; I270-L280 HydrophobicContact CD1-CD2 3.88Å; I270-L423 HydrophobicContact CD1-CD2 4.43Å; I270-M427 HydrophobicContact CB-CE 4.19Å; I270-M427 HydrophobicContact CD1-CE 3.48Å; I270-M427 VanDerWaalsContact CD1-CE 3.48Å; I270-M427 HydrophobicContact CG1-CE 4.42Å; I270-M427 HydrophobicContact CG2-CE 3.8Å; I270-N435 HydrophobicContact CG2-CB 4.09Å |
| 271 | W | 86.3 | Confident | 89.9 | Confident | 60 Ų | 60 | 29 Ų | 29 | 23% | 0.227 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56.3 | -40.2 | 175.7 | 176.9 | 60.8 | 0 | 0 | 0 | 112.2 | A267 F268 K273 D432 L533 | A267-W271 WeakPolarHBondContact O-CB 3.28Å; A267-W271 PolarHBondContact O-N 3.17Å; F268-W271 AromaticContact CD2-CE3 3.9Å; F268-W271 HydrophobicContact CD2-CE3 3.9Å; F268-W271 HydrophobicContact CD2-CZ3 4.18Å; F268-W271 AromaticContact CE2-CE3 3.75Å; F268-W271 HydrophobicContact CE2-CE3 3.75Å; F268-W271 AromaticContact CE2-CZ3 3.57Å; F268-W271 HydrophobicContact CE2-CZ3 3.57Å; F268-W271 HydrophobicContact CZ-CE3 4.29Å; F268-W271 HydrophobicContact CZ-CZ3 4.04Å; F268-W271 WeakPolarHBondContact O-CB 3.41Å; F268-W271 PolarHBondContact O-N 3.47Å; W271-K273 PolarHBondContact O-N 3.05Å; W271-D432 WeakPolarHBondContact CA-OD2 3.34Å; W271-D432 HydrophobicContact CB-CB 4.46Å; W271-D432 HydrophobicContact CG-CB 4.44Å; W271-L533 HydrophobicContact CZ2-CD2 4.47Å |
| 272 | K | 87.3 | Confident | 89.9 | Confident | 35 Ų | 35 | 30.3 Ų | 30.3 | 15% | 0.152 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 0.7 | 175.4 | -63.9 | -68.9 | -173 | -175.1 | 0 | 114.7 | E224 V227 F268 I270 L274 | E224-K272 WeakPolarHBondContact OE1-CE 3.32Å; E224-K272 IonicContact OE1-NZ 2.79Å; E224-K272 PolarHBondContact OE1-NZ 3.33Å; E224-K272 VanDerWaalsContact OE2-CE 3.28Å; E224-K272 WeakPolarHBondContact OE2-CE 3.42Å; E224-K272 IonicContact OE2-NZ 2.73Å; E224-K272 PolarHBondContact OE2-NZ 2.77Å; V227-K272 HydrophobicContact CG1-CB 4.29Å; V227-K272 HydrophobicContact CG1-CD 4.22Å; V227-K272 HydrophobicContact CG1-CG 4.13Å; V227-K272 HydrophobicContact CG2-CB 4.49Å; V227-K272 HydrophobicContact CG2-CG 4.16Å; F268-K272 HydrophobicContact CD1-CG 4.03Å; F268-K272 HydrophobicContact CE1-CD 4.34Å; F268-K272 HydrophobicContact CE1-CG 3.8Å; F268-K272 HydrophobicContact CZ-CD 4.47Å; F268-K272 HydrophobicContact CZ-CG 4.32Å; F268-K272 WeakPolarHBondContact O-CB 3.45Å; F268-K272 VanDerWaalsContact O-CG 3.27Å; F268-K272 WeakPolarHBondContact O-CG 3.29Å; F268-K272 PolarHBondContact O-N 2.97Å; I270-K272 VanDerWaalsContact C-N 3.26Å; I270-K272 PolarHBondContact O-N 2.97Å; K272-L274 VanDerWaalsContact C-N 3.33Å; K272-L274 HydrophobicContact CB-CD1 4.38Å; K272-L274 HydrophobicContact CB-CG 4.37Å; K272-L274 PolarHBondContact O-N 3.1Å |
| 273 | K | 87.4 | Confident | 89.8 | Confident | 103 Ų | 103 | 32.2 Ų | 32.2 | 45% | 0.448 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 36.8 | 178.6 | -55.1 | 178.9 | -176.6 | 175.3 | 0 | 114 | R237 L269 I270 W271 C531 | R237-K273 VanDerWaalsContact CZ-O 3.22Å; R237-K273 PolarHBondContact NH2-O 3.22Å; L269-K273 PolarHBondContact O-N 2.56Å; I270-K273 WeakPolarHBondContact O-CA 3.45Å; I270-K273 PolarHBondContact O-N 3.27Å; W271-K273 PolarHBondContact O-N 3.05Å; K273-C531 WeakPolarHBondContact CE-SG 3.31Å; K273-C531 PolarHBondContact NZ-SG 2.97Å |
| 274 | L | 88.3 | Confident | 89.8 | Confident | 21 Ų | 21 | 32.3 Ų | 32.3 | 11% | 0.11 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -94 | -35.4 | 174.7 | -66.5 | 174.9 | 0 | 0 | 0 | 112.2 | V227 I230 R231 R237 M240 L269 K272 | V227-L274 HydrophobicContact CB-CD1 4.45Å; V227-L274 HydrophobicContact CG1-CD1 4.12Å; V227-L274 HydrophobicContact CG2-CD1 3.91Å; I230-L274 HydrophobicContact CB-CD1 4.49Å; I230-L274 HydrophobicContact CG2-CD1 3.98Å; R231-L274 HydrophobicContact CG-CD2 4.08Å; R237-L274 WeakPolarHBondContact CG-O 3.48Å; M240-L274 HydrophobicContact CE-CB 4.09Å; M240-L274 HydrophobicContact SD-CB 4.04Å; L269-L274 HydrophobicContact CD2-CD1 3.7Å; L269-L274 PolarHBondContact O-N 2.77Å; K272-L274 VanDerWaalsContact C-N 3.33Å; K272-L274 HydrophobicContact CB-CD1 4.38Å; K272-L274 HydrophobicContact CB-CG 4.37Å; K272-L274 PolarHBondContact O-N 3.1Å |
| 275 | I | 88.9 | Confident | 89.7 | Confident | 8 Ų | 8 | 30.9 Ų | 30.9 | 4% | 0.041 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -98.1 | 152.8 | 173.9 | -65.6 | 170.2 | 0 | 0 | 0 | 109.6 | M240 T241 L244 L269 I270 L280 | M240-I275 HydrophobicContact SD-CG1 3.94Å; T241-I275 HydrophobicContact CG2-CG2 3.91Å; L244-I275 HydrophobicContact CD1-CD1 3.23Å; L244-I275 HydrophobicContact CD1-CG1 4Å; L269-I275 HydrophobicContact CB-CD1 3.36Å; L269-I275 HydrophobicContact CB-CG1 3.87Å; L269-I275 HydrophobicContact CD1-CD1 3.95Å; L269-I275 HydrophobicContact CG-CD1 4.31Å; L269-I275 PolarHBondContact O-N 2.89Å; I270-I275 HydrophobicContact CD1-CG2 4.19Å; I270-I275 HydrophobicContact CG1-CB 3.73Å; I270-I275 HydrophobicContact CG1-CD1 4.33Å; I270-I275 HydrophobicContact CG1-CG2 3.62Å; I275-L280 HydrophobicContact CG2-CB 4.26Å; I275-L280 HydrophobicContact CG2-CD2 4.4Å |
| 276 | D | 88 | Confident | 89.6 | Confident | 76 Ų | 76 | 31.7 Ų | 31.7 | 41% | 0.406 | 18% | 0.176 | S | C | . | . | trans | -97.2 | 122.3 | 163.1 | -158.1 | -37.3 | 0 | 0 | 0 | 111 | T241 D278 V279 L280 | T241-D276 PolarHBondContact OG1-N 2.98Å; D276-D278 PolarHBondContact O-N 3.4Å; D276-D278 PolarHBondContact OD1-N 2.93Å; D276-V279 HydrophobicContact CB-CB 4.32Å; D276-V279 HydrophobicContact CB-CG2 4.07Å; D276-V279 PolarHBondContact O-N 3.03Å; D276-L280 PolarHBondContact O-N 2.84Å | ||
| 277 | L | 89.6 | Confident | 89.4 | Confident | 6 Ų | 6 | 34.1 Ų | 34.1 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61 | -33.6 | 176.8 | 174.7 | 57.5 | 0 | 0 | 0 | 111.6 | I270 L280 Y281 M427 N435 R438 | I270-L277 HydrophobicContact CD1-CD1 4.22Å; I270-L277 HydrophobicContact CG2-CB 4.41Å; L277-L280 PolarHBondContact O-N 3.06Å; L277-Y281 WeakPolarHBondContact O-CB 3.21Å; L277-Y281 PolarHBondContact O-N 3.15Å; L277-M427 HydrophobicContact CD1-CE 3.97Å; L277-M427 HydrophobicContact CD2-CE 4.42Å; L277-N435 HydrophobicContact CD2-CB 4.2Å; L277-R438 HydrophobicContact CD2-CB 4.22Å |
| 278 | D | 89.8 | Confident | 89.4 | Confident | 89 Ų | 89 | 37.9 Ų | 37.9 | 48% | 0.476 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -74.1 | -31.7 | -175.1 | -73.8 | 4.4 | 0 | 0 | 0 | 111.9 | D276 R442 | D276-D278 PolarHBondContact O-N 3.4Å; D276-D278 PolarHBondContact OD1-N 2.93Å; D278-R442 IonicContact OD1-CZ 2.68Å; D278-R442 IonicContact OD1-NH1 3.39Å; D278-R442 PolarHBondContact OD1-NH1 3.38Å; D278-R442 IonicContact OD1-NH2 3.79Å; D278-R442 PolarHBondContact OD1-NH2 3.5Å; D278-R442 IonicContact OD2-NH2 2.66Å; D278-R442 PolarHBondContact OD2-NH2 3.44Å |
| 279 | V | 91 | Very high | 89.3 | Confident | 47 Ų | 47 | 40.3 Ų | 40.3 | 29% | 0.285 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -74.8 | -45.6 | 171.2 | -178.6 | 0 | 0 | 0 | 0 | 110 | T241 D276 Y281 G282 H283 | T241-V279 HydrophobicContact CG2-CB 3.8Å; T241-V279 HydrophobicContact CG2-CG1 3.71Å; D276-V279 HydrophobicContact CB-CB 4.32Å; D276-V279 HydrophobicContact CB-CG2 4.07Å; D276-V279 PolarHBondContact O-N 3.03Å; V279-Y281 VanDerWaalsContact C-N 3.35Å; V279-Y281 PolarHBondContact O-N 3.28Å; V279-G282 PolarHBondContact O-N 2.93Å; V279-H283 PolarHBondContact O-CD2 3.3Å |
| 280 | L | 92.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.2 | -42.1 | -179.1 | -171.1 | 65.7 | 0 | 0 | 0 | 111.9 | T241 L244 Y248 I270 I275 D276 L277 G282 H283 L284 L423 | T241-L280 HydrophobicContact CG2-CB 3.7Å; T241-L280 HydrophobicContact CG2-CD1 4.14Å; L244-L280 HydrophobicContact CB-CD1 4.39Å; Y248-L280 HydrophobicContact CD2-CD1 3.96Å; Y248-L280 HydrophobicContact CE2-CD1 4.04Å; Y248-L280 HydrophobicContact CE2-CD2 4.2Å; I270-L280 HydrophobicContact CD1-CD2 3.88Å; I275-L280 HydrophobicContact CG2-CB 4.26Å; I275-L280 HydrophobicContact CG2-CD2 4.4Å; D276-L280 PolarHBondContact O-N 2.84Å; L277-L280 PolarHBondContact O-N 3.06Å; L280-G282 PolarHBondContact O-N 3.22Å; L280-G282 VanDerWaalsContact O-N 3.1Å; L280-H283 WeakPolarHBondContact O-CB 3.25Å; L280-H283 PolarHBondContact O-N 3.28Å; L280-L284 HydrophobicContact CG-CD2 4.31Å; L280-L284 HydrophobicContact CG-CG 4.49Å; L280-L284 WeakPolarHBondContact O-CG 3.23Å; L280-L423 HydrophobicContact CD2-CD2 3.91Å |
| 281 | Y | 91.8 | Very high | 89 | Confident | 14 Ų | 14 | 43.3 Ų | 43.3 | 6% | 0.055 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56.1 | -29 | -179 | -175.1 | -85.7 | 0 | 0 | 0 | 113 | L277 V279 H283 D288 K420 L439 R442 | L277-Y281 WeakPolarHBondContact O-CB 3.21Å; L277-Y281 PolarHBondContact O-N 3.15Å; V279-Y281 VanDerWaalsContact C-N 3.35Å; V279-Y281 PolarHBondContact O-N 3.28Å; Y281-H283 VanDerWaalsContact C-N 3.3Å; Y281-H283 PolarHBondContact O-N 2.67Å; Y281-D288 WeakPolarHBondContact CE1-OD1 3.16Å; Y281-D288 WeakPolarHBondContact CE1-OD2 3.32Å; Y281-D288 PolarHBondContact OH-OD1 2.91Å; Y281-K420 HydrophobicContact CD2-CD 4.45Å; Y281-K420 HydrophobicContact CD2-CG 4.44Å; Y281-K420 HydrophobicContact CE2-CD 3.77Å; Y281-K420 HydrophobicContact CE2-CG 4.09Å; Y281-K420 VanDerWaalsContact CZ-CE 3.49Å; Y281-L439 HydrophobicContact CD2-CG 4.38Å; Y281-L439 HydrophobicContact CE2-CG 4.29Å; Y281-R442 HydrophobicContact CE2-CB 4.43Å |
| 282 | G | 89.7 | Confident | 89 | Confident | 68 Ų | 68 | 44.9 Ų | 44.9 | 70% | 0.701 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -18.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | V279 L280 | V279-G282 PolarHBondContact O-N 2.93Å; L280-G282 PolarHBondContact O-N 3.22Å; L280-G282 VanDerWaalsContact O-N 3.1Å |
| 283 | H | 90.7 | Very high | 89 | Confident | 45 Ų | 45 | 49.9 Ų | 49.9 | 21% | 0.208 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -18.5 | 176.7 | -69 | -81.4 | 0 | 0 | 0 | 113.7 | H249 Q252 V279 L280 Y281 | H249-H283 AromaticContact CD2-ND1 3.7Å; H249-H283 AromaticContact CE1-ND1 3.91Å; H249-H283 PolarHBondContact CE1-O 2.92Å; H249-H283 AromaticContact NE2-CE1 3.96Å; H249-H283 AromaticContact NE2-CG 3.81Å; H249-H283 AromaticContact NE2-ND1 2.94Å; H249-H283 PolarHBondContact NE2-ND1 3.46Å; Q252-H283 PolarHBondContact NE2-O 3.08Å; V279-H283 PolarHBondContact O-CD2 3.3Å; L280-H283 WeakPolarHBondContact O-CB 3.25Å; L280-H283 PolarHBondContact O-N 3.28Å; Y281-H283 VanDerWaalsContact C-N 3.3Å; Y281-H283 PolarHBondContact O-N 2.67Å |
| 284 | L | 91.6 | Very high | 88.9 | Confident | 7 Ų | 7 | 46 Ų | 46 | 4% | 0.037 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -80.7 | 135 | -173.8 | -55.1 | 178.4 | 0 | 0 | 0 | 112.2 | Y248 L280 Q419 K420 L423 | Y248-L284 HydrophobicContact CD1-CD2 3.85Å; Y248-L284 HydrophobicContact CD2-CD2 3.72Å; Y248-L284 HydrophobicContact CE1-CD2 4.03Å; Y248-L284 HydrophobicContact CE2-CD2 3.93Å; Y248-L284 HydrophobicContact CG-CD2 3.69Å; L280-L284 HydrophobicContact CG-CD2 4.31Å; L280-L284 HydrophobicContact CG-CG 4.49Å; L280-L284 WeakPolarHBondContact O-CG 3.23Å; L284-Q419 HydrophobicContact CB-CB 4.13Å; L284-Q419 HydrophobicContact CD2-CB 4.13Å; L284-K420 HydrophobicContact CB-CG 3.73Å; L284-K420 HydrophobicContact CD1-CG 4.11Å; L284-K420 VanDerWaalsContact O-CE 3.27Å; L284-K420 WeakPolarHBondContact O-CE 3.42Å; L284-L423 HydrophobicContact CD1-CD2 3.59Å |
| 285 | T | 87.9 | Confident | 88.7 | Confident | 46 Ų | 46 | 46 Ų | 46 | 28% | 0.282 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -87.4 | 159.5 | 170.4 | 47.3 | 0 | 0 | 0 | 0 | 112.6 | Q252 Q419 | Q252-T285 VanDerWaalsContact CD-CG2 3.42Å; Q252-T285 HydrophobicContact CG-CG2 3.79Å; Q252-T285 WeakPolarHBondContact CG-OG1 3.42Å; T285-Q419 PolarHBondContact O-N 2.88Å; T285-Q419 VanDerWaalsContact O-N 3.11Å; T285-Q419 PolarHBondContact OG1-OE1 2.99Å |
| 286 | P | 87.9 | Confident | 88.6 | Confident | 20 Ų | 20 | 48.9 Ų | 48.9 | 13% | 0.13 | 29% | 0.286 | C | S | . | . | S | Bend | cis | -74.8 | 170.2 | -12.4 | 31.1 | -33.4 | 0 | 0 | 0 | 112.3 | D290 I291 L414 N418 K420 | P286-D290 HydrophobicContact CB-CB 4.28Å; P286-I291 HydrophobicContact CG-CD1 4.11Å; P286-I291 HydrophobicContact CG-CG1 3.78Å; P286-L414 HydrophobicContact CG-CD2 4.05Å; P286-L414 HydrophobicContact CG-CG 4.35Å; P286-N418 VanDerWaalsContact CD-CG 3.45Å; P286-N418 WeakPolarHBondContact CD-ND2 3.43Å; P286-N418 WeakPolarHBondContact CG-ND2 3.39Å; P286-K420 WeakPolarHBondContact O-CE 3.4Å; P286-K420 PolarHBondContact O-NZ 3.02Å |
| 287 | S | 88.4 | Confident | 88.6 | Confident | 51 Ų | 51 | 51.8 Ų | 51.8 | 36% | 0.357 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 157.7 | -179.8 | 84.6 | 0 | 0 | 0 | 0 | 111.7 | A289 D290 I291 | S287-A289 PolarHBondContact O-N 3.18Å; S287-A289 PolarHBondContact OG-N 3.07Å; S287-D290 WeakPolarHBondContact CA-OD2 3.47Å; S287-D290 WeakPolarHBondContact CB-OD2 3.48Å; S287-D290 PolarHBondContact N-OD2 2.7Å; S287-D290 PolarHBondContact O-N 3.31Å; S287-D290 VanDerWaalsContact O-N 3.1Å; S287-D290 PolarHBondContact OG-N 2.81Å; S287-D290 PolarHBondContact OG-OD2 2.83Å; S287-I291 WeakPolarHBondContact O-CG1 3.49Å; S287-I291 PolarHBondContact O-N 2.92Å |
| 288 | D | 89.4 | Confident | 88.3 | Confident | 78 Ų | 78 | 52.5 Ų | 52.5 | 42% | 0.417 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.1 | -27.2 | -180 | -63.1 | -6.3 | 0 | 0 | 0 | 112 | Y281 Q292 K420 | Y281-D288 WeakPolarHBondContact CE1-OD1 3.16Å; Y281-D288 WeakPolarHBondContact CE1-OD2 3.32Å; Y281-D288 PolarHBondContact OH-OD1 2.91Å; D288-Q292 VanDerWaalsContact O-CB 3.24Å; D288-Q292 WeakPolarHBondContact O-CB 3.37Å; D288-Q292 PolarHBondContact O-N 3.21Å; D288-K420 IonicContact OD1-NZ 3.07Å; D288-K420 PolarHBondContact OD1-NZ 3.4Å |
| 289 | A | 88 | Confident | 88.1 | Confident | 67 Ų | 67 | 49.1 Ų | 49.1 | 55% | 0.554 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -67.7 | -43.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S287 Q292 Q293 | S287-A289 PolarHBondContact O-N 3.18Å; S287-A289 PolarHBondContact OG-N 3.07Å; A289-Q292 PolarHBondContact O-N 3.23Å; A289-Q293 VanDerWaalsContact O-CB 3.28Å; A289-Q293 WeakPolarHBondContact O-CB 3.23Å; A289-Q293 PolarHBondContact O-N 2.67Å |
| 290 | D | 87.5 | Confident | 88 | Confident | 67 Ų | 67 | 51.3 Ų | 51.3 | 36% | 0.358 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 178.6 | -49 | -49.6 | 0 | 0 | 0 | 110.9 | P286 S287 Q293 S294 L414 | P286-D290 HydrophobicContact CB-CB 4.28Å; S287-D290 WeakPolarHBondContact CA-OD2 3.47Å; S287-D290 WeakPolarHBondContact CB-OD2 3.48Å; S287-D290 PolarHBondContact N-OD2 2.7Å; S287-D290 PolarHBondContact O-N 3.31Å; S287-D290 VanDerWaalsContact O-N 3.1Å; S287-D290 PolarHBondContact OG-N 2.81Å; S287-D290 PolarHBondContact OG-OD2 2.83Å; D290-Q293 PolarHBondContact O-N 2.65Å; D290-S294 VanDerWaalsContact O-CB 3.25Å; D290-S294 WeakPolarHBondContact O-CB 3.47Å; D290-S294 PolarHBondContact O-N 2.87Å; D290-L414 HydrophobicContact CB-CD1 4.49Å |
| 291 | I | 87.3 | Confident | 87.8 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.1 | -50.6 | 175.4 | -66.1 | 169.9 | 0 | 0 | 0 | 109.9 | P286 S287 Q293 S294 H295 L414 K420 L443 P444 W447 | P286-I291 HydrophobicContact CG-CD1 4.11Å; P286-I291 HydrophobicContact CG-CG1 3.78Å; S287-I291 WeakPolarHBondContact O-CG1 3.49Å; S287-I291 PolarHBondContact O-N 2.92Å; I291-Q293 PolarHBondContact O-N 2.94Å; I291-S294 PolarHBondContact O-N 2.68Å; I291-H295 WeakPolarHBondContact O-CB 3.46Å; I291-H295 PolarHBondContact O-N 2.73Å; I291-L414 HydrophobicContact CG1-CD2 4.49Å; I291-K420 HydrophobicContact CD1-CD 4.08Å; I291-L443 HydrophobicContact CD1-CD2 4Å; I291-P444 HydrophobicContact CG2-CG 3.78Å; I291-W447 HydrophobicContact CB-CH2 4.38Å; I291-W447 HydrophobicContact CD1-CH2 3.9Å; I291-W447 HydrophobicContact CD1-CZ3 4.03Å; I291-W447 HydrophobicContact CG1-CH2 3.74Å; I291-W447 HydrophobicContact CG1-CZ2 4.16Å; I291-W447 HydrophobicContact CG1-CZ3 4.2Å; I291-W447 HydrophobicContact CG2-CD2 3.81Å; I291-W447 HydrophobicContact CG2-CE3 3.65Å; I291-W447 HydrophobicContact CG2-CH2 3.8Å; I291-W447 HydrophobicContact CG2-CZ2 3.97Å; I291-W447 HydrophobicContact CG2-CZ3 3.64Å |
| 292 | Q | 87.2 | Confident | 87.5 | Confident | 92 Ų | 92 | 53.7 Ų | 53.7 | 43% | 0.43 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.4 | -36.5 | -179.3 | -176.5 | 63.3 | -8.5 | 0 | 0 | 112.2 | D288 A289 N296 | D288-Q292 VanDerWaalsContact O-CB 3.24Å; D288-Q292 WeakPolarHBondContact O-CB 3.37Å; D288-Q292 PolarHBondContact O-N 3.21Å; A289-Q292 PolarHBondContact O-N 3.23Å; Q292-N296 PolarHBondContact NE2-ND2 3.22Å; Q292-N296 WeakPolarHBondContact O-CB 3.22Å; Q292-N296 PolarHBondContact O-N 2.94Å; Q292-N296 PolarHBondContact O-ND2 2.97Å |
| 293 | Q | 86.7 | Confident | 87.4 | Confident | 141 Ų | 141 | 56 Ų | 56 | 66% | 0.659 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -67.1 | -43.1 | 174.5 | -171.9 | 177.7 | 7.7 | 0 | 0 | 111.4 | A289 D290 I291 N296 R297 | A289-Q293 VanDerWaalsContact O-CB 3.28Å; A289-Q293 WeakPolarHBondContact O-CB 3.23Å; A289-Q293 PolarHBondContact O-N 2.67Å; D290-Q293 PolarHBondContact O-N 2.65Å; I291-Q293 PolarHBondContact O-N 2.94Å; Q293-N296 PolarHBondContact O-N 3.44Å; Q293-R297 WeakPolarHBondContact O-CB 3.33Å; Q293-R297 PolarHBondContact O-N 3.47Å |
| 294 | S | 84.4 | Confident | 87.3 | Confident | 22 Ų | 22 | 57.3 Ų | 57.3 | 15% | 0.154 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.6 | -48.6 | 175.2 | -178.9 | 0 | 0 | 0 | 0 | 111.6 | D290 I291 N296 R297 Q298 | D290-S294 VanDerWaalsContact O-CB 3.25Å; D290-S294 WeakPolarHBondContact O-CB 3.47Å; D290-S294 PolarHBondContact O-N 2.87Å; I291-S294 PolarHBondContact O-N 2.68Å; S294-N296 VanDerWaalsContact C-N 3.35Å; S294-N296 PolarHBondContact O-N 2.98Å; S294-R297 WeakPolarHBondContact O-CB 3.21Å; S294-R297 PolarHBondContact O-N 3.02Å; S294-R297 VanDerWaalsContact O-N 3.16Å; S294-Q298 VanDerWaalsContact O-CG 3.31Å; S294-Q298 WeakPolarHBondContact O-CG 3.34Å; S294-Q298 PolarHBondContact O-N 2.78Å; S294-Q298 PolarHBondContact OG-NE2 3.03Å; S294-Q298 VanDerWaalsContact OG-NE2 3.1Å |
| 295 | H | 84.6 | Confident | 87.2 | Confident | 20 Ų | 20 | 60 Ų | 60 | 9% | 0.093 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.6 | -44.4 | 177.1 | -177.1 | 73.2 | 0 | 0 | 0 | 111.8 | I291 Q298 I299 P444 | I291-H295 WeakPolarHBondContact O-CB 3.46Å; I291-H295 PolarHBondContact O-N 2.73Å; H295-Q298 PolarHBondContact O-N 3.19Å; H295-I299 WeakPolarHBondContact O-CG1 3.48Å; H295-I299 PolarHBondContact O-N 2.73Å; H295-P444 HydrophobicContact CB-CG 4.15Å |
| 296 | N | 87.1 | Confident | 87.1 | Confident | 68 Ų | 68 | 66.5 Ų | 66.5 | 36% | 0.364 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66 | -38.3 | 175 | -79.2 | -72.2 | 0 | 0 | 0 | 113.3 | Q292 Q293 S294 I299 N300 | Q292-N296 PolarHBondContact NE2-ND2 3.22Å; Q292-N296 WeakPolarHBondContact O-CB 3.22Å; Q292-N296 PolarHBondContact O-N 2.94Å; Q292-N296 PolarHBondContact O-ND2 2.97Å; Q293-N296 PolarHBondContact O-N 3.44Å; S294-N296 VanDerWaalsContact C-N 3.35Å; S294-N296 PolarHBondContact O-N 2.98Å; N296-I299 PolarHBondContact O-N 3.12Å; N296-N300 WeakPolarHBondContact O-CB 3.47Å; N296-N300 PolarHBondContact O-N 3.1Å; N296-N300 PolarHBondContact O-ND2 2.73Å |
| 297 | R | 86.8 | Confident | 87 | Confident | 137 Ų | 137 | 66.6 Ų | 66.6 | 52% | 0.517 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.1 | -45.8 | 171.8 | -179.9 | 177.7 | 175.6 | 168 | -2.8 | 110.6 | Q293 S294 N300 L301 D410 | Q293-R297 WeakPolarHBondContact O-CB 3.33Å; Q293-R297 PolarHBondContact O-N 3.47Å; S294-R297 WeakPolarHBondContact O-CB 3.21Å; S294-R297 PolarHBondContact O-N 3.02Å; S294-R297 VanDerWaalsContact O-N 3.16Å; R297-N300 PolarHBondContact O-N 3.37Å; R297-L301 HydrophobicContact CG-CD1 3.99Å; R297-L301 HydrophobicContact CG-CG 4.48Å; R297-L301 WeakPolarHBondContact O-CB 3.48Å; R297-L301 VanDerWaalsContact O-CG 3.3Å; R297-L301 WeakPolarHBondContact O-CG 3.41Å; R297-L301 PolarHBondContact O-N 3.46Å; R297-D410 IonicContact CZ-OD1 3.82Å; R297-D410 IonicContact CZ-OD2 3.12Å; R297-D410 IonicContact NE-OD2 2.76Å; R297-D410 IonicContact NH2-OD1 3.05Å; R297-D410 PolarHBondContact NH2-OD1 3.23Å; R297-D410 IonicContact NH2-OD2 2.72Å; R297-D410 PolarHBondContact NH2-OD2 2.98Å |
| 298 | Q | 84.4 | Confident | 86.5 | Confident | 21 Ų | 21 | 71.6 Ų | 71.6 | 10% | 0.098 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 177.6 | -70 | 177.8 | 55.1 | 0 | 0 | 112.5 | S294 H295 N300 L301 A302 P648 | S294-Q298 VanDerWaalsContact O-CG 3.31Å; S294-Q298 WeakPolarHBondContact O-CG 3.34Å; S294-Q298 PolarHBondContact O-N 2.78Å; S294-Q298 PolarHBondContact OG-NE2 3.03Å; S294-Q298 VanDerWaalsContact OG-NE2 3.1Å; H295-Q298 PolarHBondContact O-N 3.19Å; Q298-N300 VanDerWaalsContact C-N 3.34Å; Q298-N300 PolarHBondContact O-N 3.05Å; Q298-L301 PolarHBondContact O-N 3.15Å; Q298-A302 WeakPolarHBondContact O-CB 3.45Å; Q298-A302 PolarHBondContact O-N 3.49Å; Q298-P648 HydrophobicContact CB-CB 4.26Å; Q298-P648 HydrophobicContact CB-CG 3.95Å |
| 299 | I | 86.2 | Confident | 85.6 | Confident | 18 Ų | 18 | 70 Ų | 70 | 9% | 0.092 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.3 | -44.8 | 173.5 | -73.3 | 174.8 | 0 | 0 | 0 | 111.1 | H295 N296 A302 K303 S646 P648 | H295-I299 WeakPolarHBondContact O-CG1 3.48Å; H295-I299 PolarHBondContact O-N 2.73Å; N296-I299 PolarHBondContact O-N 3.12Å; I299-A302 PolarHBondContact O-N 3.16Å; I299-K303 HydrophobicContact CG2-CD 4Å; I299-K303 WeakPolarHBondContact O-CG 3.25Å; I299-K303 PolarHBondContact O-N 3.24Å; I299-S646 WeakPolarHBondContact CD1-O 3.46Å; I299-P648 HydrophobicContact CG1-CG 3.73Å |
| 300 | N | 87.3 | Confident | 84.7 | Confident | 94 Ų | 94 | 67.6 Ų | 67.6 | 50% | 0.503 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -71.2 | -38.6 | -178 | -71.6 | -25.2 | 0 | 0 | 0 | 112.3 | N296 R297 Q298 A302 K303 S304 | N296-N300 WeakPolarHBondContact O-CB 3.47Å; N296-N300 PolarHBondContact O-N 3.1Å; N296-N300 PolarHBondContact O-ND2 2.73Å; R297-N300 PolarHBondContact O-N 3.37Å; Q298-N300 VanDerWaalsContact C-N 3.34Å; Q298-N300 PolarHBondContact O-N 3.05Å; N300-A302 VanDerWaalsContact C-N 3.33Å; N300-K303 PolarHBondContact O-N 3.33Å; N300-S304 PolarHBondContact O-N 3.33Å; N300-S304 PolarHBondContact O-OG 2.98Å |
| 301 | L | 88 | Confident | 83.6 | Confident | 62 Ų | 62 | 67.3 Ų | 67.3 | 33% | 0.325 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.7 | -37.5 | 170.3 | -71.3 | 171.6 | 0 | 0 | 0 | 112 | R297 Q298 S304 Y305 | R297-L301 HydrophobicContact CG-CD1 3.99Å; R297-L301 HydrophobicContact CG-CG 4.48Å; R297-L301 WeakPolarHBondContact O-CB 3.48Å; R297-L301 VanDerWaalsContact O-CG 3.3Å; R297-L301 WeakPolarHBondContact O-CG 3.41Å; R297-L301 PolarHBondContact O-N 3.46Å; Q298-L301 PolarHBondContact O-N 3.15Å; L301-S304 WeakPolarHBondContact CA-OG 3.42Å; L301-S304 PolarHBondContact O-N 3.45Å; L301-S304 PolarHBondContact O-OG 3.47Å; L301-S304 VanDerWaalsContact O-OG 3.12Å; L301-Y305 WeakPolarHBondContact O-CB 3.35Å; L301-Y305 PolarHBondContact O-N 2.88Å |
| 302 | A | 87.5 | Confident | 82.5 | Confident | 2 Ų | 2 | 70.5 Ų | 70.5 | 2% | 0.017 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.1 | -37.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q298 I299 N300 Y305 P648 I651 R652 | Q298-A302 WeakPolarHBondContact O-CB 3.45Å; Q298-A302 PolarHBondContact O-N 3.49Å; I299-A302 PolarHBondContact O-N 3.16Å; N300-A302 VanDerWaalsContact C-N 3.33Å; A302-Y305 WeakPolarHBondContact O-CB 3.5Å; A302-P648 HydrophobicContact CB-CB 4.08Å; A302-P648 WeakPolarHBondContact CB-O 3.32Å; A302-I651 HydrophobicContact CB-CB 3.91Å; A302-I651 HydrophobicContact CB-CG2 3.77Å; A302-I651 WeakPolarHBondContact O-CG2 3.47Å; A302-R652 HydrophobicContact CB-CG 3.87Å |
| 303 | K | 87.1 | Confident | 81.5 | Confident | 116 Ų | 116 | 66.6 Ų | 66.6 | 50% | 0.504 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -69.6 | -36.1 | 175 | -70.9 | 165.3 | -178.6 | 168.4 | 0 | 112.9 | I299 N300 R306 | I299-K303 HydrophobicContact CG2-CD 4Å; I299-K303 WeakPolarHBondContact O-CG 3.25Å; I299-K303 PolarHBondContact O-N 3.24Å; N300-K303 PolarHBondContact O-N 3.33Å; K303-R306 PolarHBondContact O-NH1 3.27Å |
| 304 | S | 88.1 | Confident | 80.1 | Confident | 72 Ų | 72 | 61.4 Ų | 61.4 | 50% | 0.503 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -79.1 | -22.8 | 177.9 | 67.9 | 0 | 0 | 0 | 0 | 113.4 | N300 L301 R306 | N300-S304 PolarHBondContact O-N 3.33Å; N300-S304 PolarHBondContact O-OG 2.98Å; L301-S304 WeakPolarHBondContact CA-OG 3.42Å; L301-S304 PolarHBondContact O-N 3.45Å; L301-S304 PolarHBondContact O-OG 3.47Å; L301-S304 VanDerWaalsContact O-OG 3.12Å; S304-R306 WeakPolarHBondContact O-CG 3.49Å; S304-R306 PolarHBondContact O-N 3.03Å; S304-R306 PolarHBondContact O-NH1 3.43Å |
| 305 | Y | 88.5 | Confident | 78.5 | Confident | 65 Ų | 65 | 69.5 Ų | 69.5 | 26% | 0.255 | 35% | 0.345 | S | S | . | . | trans | -48.6 | 132.3 | -179.7 | -176.5 | -116.6 | 0 | 0 | 0 | 114 | L301 A302 P307 R652 A655 Q656 | L301-Y305 WeakPolarHBondContact O-CB 3.35Å; L301-Y305 PolarHBondContact O-N 2.88Å; A302-Y305 WeakPolarHBondContact O-CB 3.5Å; Y305-P307 HydrophobicContact CD1-CG 4.23Å; Y305-P307 HydrophobicContact CE1-CB 3.73Å; Y305-P307 HydrophobicContact CE1-CG 3.78Å; Y305-R652 HydrophobicContact CD1-CB 4.15Å; Y305-R652 HydrophobicContact CD1-CG 4.19Å; Y305-R652 HydrophobicContact CE1-CB 4.27Å; Y305-R652 HydrophobicContact CG-CG 4.36Å; Y305-A655 HydrophobicContact CD1-CB 4.1Å; Y305-Q656 HydrophobicContact CE1-CG 3.96Å; Y305-Q656 PolarHBondContact OH-NE2 3.2Å | ||
| 306 | R | 87.3 | Confident | 76.7 | Confident | 181 Ų | 181 | 73.7 Ų | 73.7 | 68% | 0.683 | 38% | 0.376 | S | S | * | . | trans | -131.1 | 91.4 | 178.2 | -63 | -60 | 174.8 | -99 | -0.5 | 109.8 | K303 S304 | K303-R306 PolarHBondContact O-NH1 3.27Å; S304-R306 WeakPolarHBondContact O-CG 3.49Å; S304-R306 PolarHBondContact O-N 3.03Å; S304-R306 PolarHBondContact O-NH1 3.43Å | ||
| 307 | P | 85.7 | Confident | 74.5 | Confident | 22 Ų | 22 | 73.2 Ų | 73.2 | 14% | 0.143 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 138.4 | -178.8 | 25.4 | -29.1 | 0 | 0 | 0 | 111.3 | Y305 A655 Q656 C659 | Y305-P307 HydrophobicContact CD1-CG 4.23Å; Y305-P307 HydrophobicContact CE1-CB 3.73Å; Y305-P307 HydrophobicContact CE1-CG 3.78Å; P307-A655 HydrophobicContact CG-CB 4.03Å; P307-A655 WeakPolarHBondContact CG-O 3.47Å; P307-Q656 HydrophobicContact CB-CG 3.99Å; P307-Q656 HydrophobicContact CG-CB 4.5Å; P307-Q656 HydrophobicContact CG-CG 4.12Å; P307-C659 HydrophobicContact CG-CB 4.13Å; P307-C659 PolarHBondContact O-SG 3.39Å |
| 308 | Q | 76.8 | Confident | 72.2 | Confident | 156 Ų | 156 | 72.7 Ų | 72.7 | 73% | 0.729 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -76.2 | 152.1 | 171.3 | -61.4 | -61.2 | -13.4 | 0 | 0 | 110.9 | ||
| 309 | P | 71.3 | Confident | 70 | Confident | 46 Ų | 46 | 77.3 Ų | 77.3 | 30% | 0.299 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 149.2 | 170.3 | 30.3 | -35 | 0 | 0 | 0 | 110.4 | A663 | P309-A663 HydrophobicContact CB-CB 3.99Š|
| 310 | P | 69 | Low | 67.5 | Low | 16 Ų | 16 | 79.8 Ų | 79.8 | 10% | 0.104 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -50.7 | 148.2 | 175.4 | -29.9 | 35.9 | 0 | 0 | 0 | 113.2 | S312 L313 S314 Y660 | P310-S312 PolarHBondContact O-N 2.93Å; P310-L313 HydrophobicContact CB-CB 4.45Å; P310-L313 HydrophobicContact CB-CG 4.43Å; P310-L313 HydrophobicContact CG-CD1 4.17Å; P310-L313 CarbonylContact O-C 3.55Å; P310-L313 WeakPolarHBondContact O-CA 3.48Å; P310-L313 PolarHBondContact O-N 2.96Å; P310-S314 PolarHBondContact O-N 3.22Å; P310-Y660 HydrophobicContact CG-CD1 3.83Å; P310-Y660 HydrophobicContact CG-CD2 4.3Å; P310-Y660 HydrophobicContact CG-CE1 3.36Å; P310-Y660 HydrophobicContact CG-CE2 3.89Å; P310-Y660 HydrophobicContact CG-CG 4.29Å; P310-Y660 VanDerWaalsContact CG-CZ 3.4Å |
| 311 | A | 64.7 | Low | 65.2 | Low | 61 Ų | 61 | 80.9 Ų | 80.9 | 50% | 0.504 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -52.5 | -41.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L313 S314 | A311-L313 PolarHBondContact O-N 2.99Å; A311-S314 WeakPolarHBondContact O-CB 3.26Å; A311-S314 PolarHBondContact O-N 3.11Å; A311-S314 PolarHBondContact O-OG 2.92Å |
| 312 | S | 64.8 | Low | 62.6 | Low | 68 Ų | 68 | 86 Ų | 86 | 48% | 0.476 | 48% | 0.484 | S | S | . | . | G | 310 helix | trans | -62.8 | -18.7 | 174.4 | 57 | 0 | 0 | 0 | 0 | 115.2 | P310 R667 | P310-S312 PolarHBondContact O-N 2.93Å; S312-R667 PolarHBondContact O-NH1 3.37Å; S312-R667 VanDerWaalsContact O-NH1 3.16Å |
| 313 | L | 65.3 | Low | 60 | Low | 10 Ų | 10 | 91.3 Ų | 91.3 | 5% | 0.052 | 52% | 0.516 | C | S | . | . | G | 310 helix | trans | -110.2 | 0.9 | 174.6 | -59.2 | 177.5 | 0 | 0 | 0 | 112.9 | P310 A311 A663 I664 R667 M676 | P310-L313 HydrophobicContact CB-CB 4.45Å; P310-L313 HydrophobicContact CB-CG 4.43Å; P310-L313 HydrophobicContact CG-CD1 4.17Å; P310-L313 CarbonylContact O-C 3.55Å; P310-L313 WeakPolarHBondContact O-CA 3.48Å; P310-L313 PolarHBondContact O-N 2.96Å; A311-L313 PolarHBondContact O-N 2.99Å; L313-A663 HydrophobicContact CB-CB 3.99Å; L313-A663 HydrophobicContact CD1-CB 4.04Å; L313-I664 HydrophobicContact CD1-CG1 3.88Å; L313-R667 VanDerWaalsContact C-NH2 3.26Å; L313-R667 PolarHBondContact O-NE 3.3Å; L313-R667 PolarHBondContact O-NH2 2.97Å; L313-M676 HydrophobicContact CD2-CE 4.28Å; L313-M676 HydrophobicContact CD2-SD 4.39Å |
| 314 | S | 56.5 | Low | 57.5 | Low | 32 Ų | 32 | 89.5 Ų | 89.5 | 22% | 0.224 | 52% | 0.518 | C | S | . | . | S | Bend | trans | -79.8 | 149.9 | 177.1 | 82.1 | 0 | 0 | 0 | 0 | 112.4 | P310 A311 S316 R667 | P310-S314 PolarHBondContact O-N 3.22Å; A311-S314 WeakPolarHBondContact O-CB 3.26Å; A311-S314 PolarHBondContact O-N 3.11Å; A311-S314 PolarHBondContact O-OG 2.92Å; S314-S316 VanDerWaalsContact C-N 3.25Å; S314-S316 PolarHBondContact O-N 3.45Å; S314-R667 PolarHBondContact O-NH2 3.37Å |
| 315 | Y | 51.6 | Low | 55 | Low | 193 Ų | 193 | 91.7 Ų | 91.7 | 76% | 0.757 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -14.6 | -178.4 | -94.1 | -90.7 | 0 | 0 | 0 | 114.5 | T318 | Y315-T318 PolarHBondContact O-OG1 3.16Š|
| 316 | S | 46.1 | Very low | 52.5 | Low | 108 Ų | 108 | 96 Ų | 96 | 76% | 0.755 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -21.3 | -168.3 | -145.3 | 0 | 0 | 0 | 0 | 114.5 | S314 T318 | S314-S316 VanDerWaalsContact C-N 3.25Å; S314-S316 PolarHBondContact O-N 3.45Å; S316-T318 PolarHBondContact O-N 2.78Å |
| 317 | A | 41.5 | Very low | 50.1 | Low | 57 Ų | 57 | 92.3 Ų | 92.3 | 47% | 0.471 | 55% | 0.549 | S | S | . | . | G | 310 helix | trans | -74.8 | -4.6 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | S319 | A317-S319 PolarHBondContact O-N 3.11Å; A317-S319 VanDerWaalsContact O-N 3.09Å |
| 318 | T | 38.4 | Very low | 47.7 | Very low | 127 Ų | 127 | 93.9 Ų | 93.9 | 78% | 0.779 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -76 | 4.8 | -165.3 | -10.4 | 0 | 0 | 0 | 0 | 116.1 | Y315 S316 | Y315-T318 PolarHBondContact O-OG1 3.16Å; S316-T318 PolarHBondContact O-N 2.78Å |
| 319 | S | 39.5 | Very low | 45.7 | Very low | 118 Ų | 118 | 90.4 Ų | 90.4 | 83% | 0.825 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -98 | -6.5 | -179.5 | 53.8 | 0 | 0 | 0 | 0 | 114.6 | A317 | A317-S319 PolarHBondContact O-N 3.11Å; A317-S319 VanDerWaalsContact O-N 3.09Å |
| 320 | A | 33.1 | Very low | 43.9 | Very low | 70 Ų | 70 | 91.3 Ų | 91.3 | 58% | 0.579 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -139.6 | 169 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 321 | I | 39.5 | Very low | 42.1 | Very low | 117 Ų | 117 | 95.8 Ų | 95.8 | 60% | 0.6 | 58% | 0.58 | S | S | * | * | trans | 65.2 | 64 | 173.7 | -42.9 | -179.5 | 0 | 0 | 0 | 113.6 | T323 | I321-T323 WeakPolarHBondContact CG2-O 3.23Å; I321-T323 PolarHBondContact O-N 3.18Å | ||
| 322 | N | 33.4 | Very low | 40.7 | Very low | 169 Ų | 169 | 98.4 Ų | 98.4 | 90% | 0.904 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -84.5 | 18.9 | 164.4 | -146.7 | -0.3 | 0 | 0 | 0 | 112.3 | ||
| 323 | T | 32 | Very low | 39.3 | Very low | 113 Ų | 113 | 99.3 Ų | 99.3 | 69% | 0.693 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -151.7 | 138.8 | -170.2 | -23.6 | 0 | 0 | 0 | 0 | 109.9 | I321 | I321-T323 WeakPolarHBondContact CG2-O 3.23Å; I321-T323 PolarHBondContact O-N 3.18Å |
| 324 | S | 34.3 | Very low | 37.8 | Very low | 78 Ų | 78 | 104.4 Ų | 104.4 | 55% | 0.545 | 61% | 0.61 | S | S | . | * | trans | 72.5 | 24.6 | 176.1 | 79.7 | 0 | 0 | 0 | 0 | 119.3 | N326 T327 | S324-N326 PolarHBondContact O-N 2.9Å; S324-T327 PolarHBondContact O-N 2.98Å | ||
| 325 | L | 36.4 | Very low | 36.4 | Very low | 118 Ų | 118 | 114 Ų | 114 | 62% | 0.618 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.8 | -9.5 | 175.5 | -103.2 | 168.2 | 0 | 0 | 0 | 116.7 | I329 | L325-I329 HydrophobicContact CD2-CD1 4.17Å; L325-I329 WeakPolarHBondContact O-CD1 3.44Å; L325-I329 WeakPolarHBondContact O-CG1 3.42Å |
| 326 | N | 35.2 | Very low | 35.3 | Very low | 157 Ų | 157 | 111.4 Ų | 111.4 | 84% | 0.84 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -18.9 | 173.4 | -73.1 | -24.4 | 0 | 0 | 0 | 113.8 | S324 | S324-N326 PolarHBondContact O-N 2.9Š|
| 327 | T | 37.3 | Very low | 34.4 | Very low | 103 Ų | 103 | 113.8 Ų | 113.8 | 63% | 0.632 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | -33 | -168.5 | -37.1 | 0 | 0 | 0 | 0 | 113 | S324 | S324-T327 PolarHBondContact O-N 2.98Š|
| 328 | A | 34.3 | Very low | 33.7 | Very low | 55 Ų | 55 | 114 Ų | 114 | 46% | 0.455 | 66% | 0.658 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.1 | -17.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S330 | A328-S330 VanDerWaalsContact C-N 3.25Å; A328-S330 PolarHBondContact O-N 3.18Å |
| 329 | I | 35.6 | Very low | 33.1 | Very low | 83 Ų | 83 | 116 Ų | 116 | 43% | 0.426 | 66% | 0.663 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.5 | -9 | -170.7 | -70.3 | -176.1 | 0 | 0 | 0 | 113.7 | L325 | L325-I329 HydrophobicContact CD2-CD1 4.17Å; L325-I329 WeakPolarHBondContact O-CD1 3.44Å; L325-I329 WeakPolarHBondContact O-CG1 3.42Å |
| 330 | S | 33.3 | Very low | 32.6 | Very low | 65 Ų | 65 | 117.1 Ų | 117.1 | 46% | 0.455 | 66% | 0.659 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79 | -55.9 | 172.5 | -61.3 | 0 | 0 | 0 | 0 | 112.3 | A328 D332 I334 | A328-S330 VanDerWaalsContact C-N 3.25Å; A328-S330 PolarHBondContact O-N 3.18Å; S330-D332 PolarHBondContact O-N 3.16Å; S330-I334 WeakPolarHBondContact O-CD1 3.48Å; S330-I334 VanDerWaalsContact O-CG1 3.27Å; S330-I334 WeakPolarHBondContact O-CG1 3.48Å |
| 331 | N | 31.2 | Very low | 32.3 | Very low | 109 Ų | 109 | 118.9 Ų | 118.9 | 58% | 0.583 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -77.5 | -29.8 | -153.8 | -64.6 | 6.9 | 0 | 0 | 0 | 114.6 | L333 I334 | N331-L333 PolarHBondContact O-N 3.06Å; N331-I334 PolarHBondContact O-N 2.91Å |
| 332 | D | 35.1 | Very low | 31.7 | Very low | 117 Ų | 117 | 122.9 Ų | 122.9 | 63% | 0.626 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -78.5 | 2.8 | -174.6 | -68.5 | -7.5 | 0 | 0 | 0 | 114.6 | S330 | S330-D332 PolarHBondContact O-N 3.16Š|
| 333 | L | 36 | Very low | 31.4 | Very low | 87 Ų | 87 | 122 Ų | 122 | 46% | 0.455 | 68% | 0.678 | S | S | . | * | G | 310 helix | trans | -114.7 | -0.9 | 163.1 | -97.4 | 82.8 | 0 | 0 | 0 | 112.9 | N331 Y660 | N331-L333 PolarHBondContact O-N 3.06Å; L333-Y660 HydrophobicContact CD1-CE1 4.42Å; L333-Y660 HydrophobicContact CD2-CE1 4.35Å |
| 334 | I | 33.8 | Very low | 31.2 | Very low | 116 Ų | 116 | 121.1 Ų | 121.1 | 60% | 0.595 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -99.7 | 11.1 | -170.1 | -75.7 | 176 | 0 | 0 | 0 | 112.1 | S330 N331 | S330-I334 WeakPolarHBondContact O-CD1 3.48Å; S330-I334 VanDerWaalsContact O-CG1 3.27Å; S330-I334 WeakPolarHBondContact O-CG1 3.48Å; N331-I334 PolarHBondContact O-N 2.91Å |
| 335 | R | 26 | Very low | 30.9 | Very low | 233 Ų | 233 | 125.5 Ų | 125.5 | 88% | 0.879 | 69% | 0.689 | S | S | * | * | trans | -116.6 | 48.9 | -168.7 | -141.8 | 175.2 | -166.9 | -173.2 | 1.1 | 115.8 | ||||
| 336 | V | 29.2 | Very low | 30.5 | Very low | 140 Ų | 140 | 127.5 Ų | 127.5 | 85% | 0.848 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -139.8 | 62.4 | 157.1 | -168 | 0 | 0 | 0 | 0 | 108.6 | ||
| 337 | D | 27.4 | Very low | 30.2 | Very low | 157 Ų | 157 | 123.8 Ų | 123.8 | 84% | 0.84 | 70% | 0.698 | S | S | * | * | trans | -149.8 | 136.8 | 175.3 | -103.7 | -39.1 | 0 | 0 | 0 | 111.7 | ||||
| 338 | G | 27.6 | Very low | 29.8 | Very low | 62 Ų | 62 | 123 Ų | 123 | 64% | 0.639 | 71% | 0.711 | S | S | * | * | trans | -106.8 | 106.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 339 | L | 26 | Very low | 29.6 | Very low | 168 Ų | 168 | 124.2 Ų | 124.2 | 88% | 0.88 | 73% | 0.729 | S | S | * | * | trans | 53.4 | 100.8 | 161.1 | -59.5 | 173 | 0 | 0 | 0 | 117.7 | ||||
| 340 | L | 28.3 | Very low | 29.3 | Very low | 143 Ų | 143 | 124.2 Ų | 124.2 | 75% | 0.749 | 74% | 0.741 | S | S | * | * | trans | -149.3 | 111.1 | 130 | -111.3 | 172.1 | 0 | 0 | 0 | 112.4 | ||||
| 341 | S | 27.2 | Very low | 29.2 | Very low | 107 Ų | 107 | 129 Ų | 129 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | 18.9 | 118.5 | 157.9 | -51.4 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 342 | Q | 25.8 | Very low | 29.2 | Very low | 201 Ų | 201 | 129.7 Ų | 129.7 | 94% | 0.939 | 78% | 0.775 | S | S | * | * | trans | -84.7 | 133.4 | 147.8 | -80.2 | -170.6 | -18.5 | 0 | 0 | 109.8 | ||||
| 343 | D | 27.3 | Very low | 28.8 | Very low | 149 Ų | 149 | 128.4 Ų | 128.4 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -97.2 | 152.6 | 171.7 | -145 | -40.1 | 0 | 0 | 0 | 111.8 | ||||
| 344 | S | 27.7 | Very low | 28.5 | Very low | 96 Ų | 96 | 131.3 Ų | 131.3 | 67% | 0.671 | 80% | 0.802 | S | S | * | * | trans | -40.5 | 147.4 | -176.5 | 53.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 345 | Q | 28.8 | Very low | 28.2 | Very low | 169 Ų | 169 | 131.7 Ų | 131.7 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | -168.1 | 140.4 | 125.4 | -110.4 | -179.2 | 49.7 | 0 | 0 | 116.8 | |||||
| 346 | L | 28.5 | Very low | 28.3 | Very low | 160 Ų | 160 | 124.2 Ų | 124.2 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | trans | 69.6 | 127.3 | 151.9 | -60.5 | 167.3 | 0 | 0 | 0 | 121.2 | ||||
| 347 | G | 28.6 | Very low | 28.1 | Very low | 80 Ų | 80 | 123.9 Ų | 123.9 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | 173.7 | -2.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 348 | G | 29 | Very low | 27.9 | Very low | 87 Ų | 87 | 123 Ų | 123 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | trans | 74.3 | 163.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 349 | G | 28.3 | Very low | 27.9 | Very low | 80 Ų | 80 | 127.9 Ų | 127.9 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | cis | 145.4 | 141.5 | 7.8 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 350 | A | 30.4 | Very low | 27.9 | Very low | 83 Ų | 83 | 126 Ų | 126 | 69% | 0.686 | 81% | 0.806 | S | S | * | * | cis | -160.2 | 171.1 | 2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 351 | N | 30.4 | Very low | 27.8 | Very low | 166 Ų | 166 | 125.9 Ų | 125.9 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | trans | 68.6 | 148.4 | 170.2 | -50.7 | -23.3 | 0 | 0 | 0 | 116.2 | ||||
| 352 | S | 31.4 | Very low | 27.7 | Very low | 122 Ų | 122 | 127 Ų | 127 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | cis | -137.6 | 160.9 | 2.7 | -171.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 353 | A | 27.1 | Very low | 27.6 | Very low | 90 Ų | 90 | 129.5 Ų | 129.5 | 74% | 0.744 | 81% | 0.805 | S | S | * | * | trans | -97.5 | 162.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 354 | V | 30.6 | Very low | 27.6 | Very low | 149 Ų | 149 | 129.3 Ų | 129.3 | 90% | 0.903 | 81% | 0.805 | S | S | * | * | trans | -160.7 | 153.7 | 131.4 | 138.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 355 | S | 26.1 | Very low | 27.5 | Very low | 123 Ų | 123 | 127.9 Ų | 127.9 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -72.7 | 150.1 | -167.1 | -49.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 356 | G | 28.4 | Very low | 27.5 | Very low | 77 Ų | 77 | 126 Ų | 126 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | -164.7 | 133 | 163.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 357 | T | 25.3 | Very low | 27.3 | Very low | 132 Ų | 132 | 130.1 Ų | 130.1 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -105.3 | 160.7 | -172.9 | -41.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 358 | L | 23.8 | Very low | 27.4 | Very low | 139 Ų | 139 | 133 Ų | 133 | 73% | 0.728 | 81% | 0.813 | S | S | * | * | trans | 88.2 | 149.1 | 157.3 | -126.8 | 75 | 0 | 0 | 0 | 118.8 | ||||
| 359 | M | 27.4 | Very low | 27.3 | Very low | 164 Ų | 164 | 134.9 Ų | 134.9 | 81% | 0.808 | 81% | 0.812 | S | S | * | * | trans | 68.1 | 115.5 | 163.1 | -62.6 | -62 | 156.8 | 0 | 0 | 119.7 | ||||
| 360 | T | 25.5 | Very low | 27.2 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | trans | -77.5 | 129.8 | 161 | 47.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 361 | N | 25.2 | Very low | 26.9 | Very low | 142 Ų | 142 | 135.6 Ų | 135.6 | 76% | 0.759 | 82% | 0.818 | S | S | * | * | trans | -165.1 | 155.4 | 156.4 | -101.6 | -8.3 | 0 | 0 | 0 | 111.7 | ||||
| 362 | D | 25.1 | Very low | 26.9 | Very low | 129 Ų | 129 | 136.2 Ų | 136.2 | 69% | 0.69 | 82% | 0.821 | S | S | * | * | trans | 16.3 | 124.7 | 157.1 | -51.1 | -32.9 | 0 | 0 | 0 | 120.4 | ||||
| 363 | W | 25.6 | Very low | 26.7 | Very low | 254 Ų | 254 | 137.9 Ų | 137.9 | 96% | 0.962 | 82% | 0.82 | S | S | * | * | trans | -129 | 113.2 | 149.9 | -97.8 | 75.7 | 0 | 0 | 0 | 112.1 | ||||
| 364 | N | 26.5 | Very low | 26.6 | Very low | 146 Ų | 146 | 138.9 Ų | 138.9 | 78% | 0.781 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 147 | 169.3 | -79.4 | -82.1 | 0 | 0 | 0 | 110.9 | ||
| 365 | G | 26 | Very low | 26.4 | Very low | 65 Ų | 65 | 143.4 Ų | 143.4 | 67% | 0.67 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 163 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 366 | P | 28.4 | Very low | 26.4 | Very low | 130 Ų | 130 | 141.2 Ų | 141.2 | 84% | 0.844 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 122.7 | 178.3 | 31.8 | -32.7 | 0 | 0 | 0 | 112.2 | ||
| 367 | R | 24.9 | Very low | 26.5 | Very low | 247 Ų | 247 | 144 Ų | 144 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 132.2 | 161.1 | -71.6 | 179.3 | 172.8 | -178.1 | -2.6 | 109.9 | ||
| 368 | T | 30.3 | Very low | 26.7 | Very low | 139 Ų | 139 | 144.3 Ų | 144.3 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | -132.6 | 108.6 | 156.2 | 52.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 369 | S | 26.4 | Very low | 27.1 | Very low | 127 Ų | 127 | 146 Ų | 146 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | trans | -80.3 | 133.9 | 178.7 | 51.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 370 | G | 26.6 | Very low | 27.2 | Very low | 80 Ų | 80 | 145.9 Ų | 145.9 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | -137.2 | 119.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 371 | A | 24.7 | Very low | 27.5 | Very low | 98 Ų | 98 | 148.2 Ų | 148.2 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | -92.3 | 137.2 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 372 | L | 29.5 | Very low | 27.7 | Very low | 180 Ų | 180 | 150 Ų | 150 | 94% | 0.942 | 82% | 0.819 | S | S | * | * | trans | -130.9 | 143.1 | 155.3 | -88.1 | 171.5 | 0 | 0 | 0 | 108.6 | ||||
| 373 | N | 26.6 | Very low | 28 | Very low | 157 Ų | 157 | 152.3 Ų | 152.3 | 84% | 0.84 | 83% | 0.831 | S | S | * | * | trans | -84.2 | 151 | -162.8 | -74.8 | -32.5 | 0 | 0 | 0 | 114.1 | ||||
| 374 | S | 25.1 | Very low | 28.1 | Very low | 111 Ų | 111 | 148.8 Ų | 148.8 | 78% | 0.776 | 83% | 0.825 | S | S | * | * | trans | -46 | 139 | 167.4 | 54.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 375 | R | 27.1 | Very low | 28.2 | Very low | 243 Ų | 243 | 150.1 Ų | 150.1 | 92% | 0.917 | 83% | 0.827 | S | S | * | * | trans | -138.5 | 148.7 | 136.4 | -99.5 | 177.9 | -176.1 | -173.7 | -1.4 | 109.4 | ||||
| 376 | S | 26.8 | Very low | 28.4 | Very low | 77 Ų | 77 | 154.5 Ų | 154.5 | 54% | 0.538 | 83% | 0.834 | S | S | . | * | trans | -75.6 | 142.2 | -166.1 | 37.9 | 0 | 0 | 0 | 0 | 113.5 | D378 | S376-D378 WeakPolarHBondContact CB-OD2 3.2Å; S376-D378 PolarHBondContact O-N 2.65Å | ||
| 377 | V | 29.1 | Very low | 28.4 | Very low | 137 Ų | 137 | 152.8 Ų | 152.8 | 83% | 0.83 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -95.5 | 38.2 | 175.5 | -163.4 | 0 | 0 | 0 | 0 | 110.6 | ||
| 378 | D | 30.8 | Very low | 28.5 | Very low | 138 Ų | 138 | 148.6 Ų | 148.6 | 74% | 0.738 | 82% | 0.822 | S | S | * | * | trans | -99.4 | -6.2 | 179.3 | -66.4 | -70.1 | 0 | 0 | 0 | 113.1 | S376 | S376-D378 WeakPolarHBondContact CB-OD2 3.2Å; S376-D378 PolarHBondContact O-N 2.65Å | ||
| 379 | E | 31.2 | Very low | 28.6 | Very low | 175 Ų | 175 | 149.2 Ų | 149.2 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -100.8 | 9.7 | -173.6 | -73.4 | -171.7 | 127.1 | 0 | 0 | 115 | ||
| 380 | L | 30.4 | Very low | 28.6 | Very low | 160 Ų | 160 | 149.9 Ų | 149.9 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -123.9 | 11.2 | -178 | -79.8 | 172.3 | 0 | 0 | 0 | 115.9 | ||
| 381 | M | 30.9 | Very low | 28.6 | Very low | 177 Ų | 177 | 152.7 Ų | 152.7 | 87% | 0.872 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -115.3 | 59.8 | 168.6 | -77.6 | -170.2 | 64.7 | 0 | 0 | 111.8 | ||
| 382 | Q | 29.6 | Very low | 28.7 | Very low | 180 Ų | 180 | 152.7 Ų | 152.7 | 84% | 0.841 | 81% | 0.808 | S | S | * | * | trans | -162.9 | 92.2 | 168.2 | -116.4 | 160.6 | 97.4 | 0 | 0 | 111.1 | ||||
| 383 | L | 31.6 | Very low | 28.6 | Very low | 178 Ų | 178 | 152.1 Ų | 152.1 | 93% | 0.932 | 80% | 0.798 | S | S | * | * | trans | -177.9 | 81.3 | 153.8 | -104 | 168.6 | 0 | 0 | 0 | 108.9 | ||||
| 384 | E | 27.8 | Very low | 28.8 | Very low | 179 Ų | 179 | 153 Ų | 153 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | trans | -79.3 | 163.5 | 165.2 | -71.9 | -175.9 | 118.3 | 0 | 0 | 111 | ||||
| 385 | E | 28.2 | Very low | 28.8 | Very low | 175 Ų | 175 | 154.7 Ų | 154.7 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | 50.2 | 113.3 | 162.4 | -63.5 | -175.3 | 150.9 | 0 | 0 | 118.8 | ||||
| 386 | N | 31.2 | Very low | 28.7 | Very low | 156 Ų | 156 | 148.2 Ų | 148.2 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | -170.1 | 132.7 | 115.4 | -102.2 | -72 | 0 | 0 | 0 | 113.7 | |||||
| 387 | S | 27.7 | Very low | 28.7 | Very low | 95 Ų | 95 | 152.4 Ų | 152.4 | 66% | 0.664 | 80% | 0.804 | S | S | * | * | trans | 0.9 | 133.7 | 162.4 | 61.5 | 0 | 0 | 0 | 0 | 123 | ||||
| 388 | D | 27.9 | Very low | 28.7 | Very low | 159 Ų | 159 | 153.5 Ų | 153.5 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | trans | 12.4 | 111.8 | 138.7 | -62.6 | -46.5 | 0 | 0 | 0 | 120.5 | ||||
| 389 | V | 31.5 | Very low | 28.5 | Very low | 151 Ų | 151 | 153.5 Ų | 153.5 | 92% | 0.915 | 81% | 0.81 | S | S | * | * | trans | -143.2 | 151.2 | 139.9 | 173.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 390 | N | 27.1 | Very low | 28.3 | Very low | 142 Ų | 142 | 149.7 Ų | 149.7 | 76% | 0.759 | 81% | 0.808 | S | S | * | * | trans | -105.8 | 179.5 | -166.9 | -153.6 | -27.7 | 0 | 0 | 0 | 113.3 | ||||
| 391 | L | 26 | Very low | 28.1 | Very low | 138 Ų | 138 | 149.9 Ų | 149.9 | 72% | 0.723 | 81% | 0.811 | S | S | * | * | trans | 80.9 | 102.6 | 161.6 | -101.9 | 70.8 | 0 | 0 | 0 | 120.8 | ||||
| 392 | S | 26.3 | Very low | 28.1 | Very low | 99 Ų | 99 | 147.6 Ų | 147.6 | 69% | 0.692 | 81% | 0.806 | S | S | * | * | trans | -7.2 | 120.7 | 138.9 | 60.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 393 | K | 26.9 | Very low | 27.9 | Very low | 167 Ų | 167 | 141.7 Ų | 141.7 | 73% | 0.726 | 79% | 0.793 | S | S | * | * | 168 | 116.7 | 129.2 | -95.5 | 161.6 | -178.2 | 172.5 | 0 | 111.6 | |||||
| 394 | I | 31.1 | Very low | 27.7 | Very low | 175 Ų | 175 | 140.9 Ų | 140.9 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | trans | -156.2 | 151.3 | 145.9 | -100.1 | 143.8 | 0 | 0 | 0 | 106.8 | ||||
| 395 | N | 25.7 | Very low | 27.7 | Very low | 147 Ų | 147 | 138.9 Ų | 138.9 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | trans | -92.5 | 162.5 | -162.4 | -75.7 | -24.2 | 0 | 0 | 0 | 114.1 | H397 | N395-H397 PolarHBondContact O-N 2.85Š| ||
| 396 | S | 25.8 | Very low | 27.8 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -52 | 110.1 | 166.2 | 52.7 | 0 | 0 | 0 | 0 | 113.4 | ||
| 397 | H | 26.4 | Very low | 28 | Very low | 164 Ų | 164 | 130.6 Ų | 130.6 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | trans | -161 | 178.7 | 130.1 | -100.1 | -77.6 | 0 | 0 | 0 | 106.8 | N395 V399 | N395-H397 PolarHBondContact O-N 2.85Å; H397-V399 PolarHBondContact O-N 2.77Å | ||
| 398 | D | 27.5 | Very low | 28.4 | Very low | 160 Ų | 160 | 128.9 Ų | 128.9 | 86% | 0.856 | 73% | 0.729 | S | S | * | * | trans | 63.3 | 36.2 | 170.5 | -47 | -22.9 | 0 | 0 | 0 | 117.9 | ||||
| 399 | V | 28.3 | Very low | 28.7 | Very low | 138 Ų | 138 | 128.4 Ų | 128.4 | 84% | 0.836 | 73% | 0.725 | S | S | * | * | trans | -110 | 75.4 | 163.3 | -172.4 | 0 | 0 | 0 | 0 | 109.6 | H397 | H397-V399 PolarHBondContact O-N 2.77Š| ||
| 400 | A | 26.4 | Very low | 29.1 | Very low | 95 Ų | 95 | 125.6 Ų | 125.6 | 79% | 0.785 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -141.4 | 11.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 401 | D | 26.9 | Very low | 30.2 | Very low | 165 Ų | 165 | 121.4 Ų | 121.4 | 88% | 0.882 | 68% | 0.681 | S | S | * | * | trans | -146.8 | 28.3 | -177.2 | -122.5 | -20.9 | 0 | 0 | 0 | 114.7 | G403 | D401-G403 VanDerWaalsContact C-N 3.34Å; D401-G403 PolarHBondContact O-N 3.43Å | ||
| 402 | V | 29.4 | Very low | 31.5 | Very low | 129 Ų | 129 | 119 Ų | 119 | 78% | 0.782 | 67% | 0.668 | S | S | * | * | trans | -88.8 | 81.7 | 165.4 | -174 | 0 | 0 | 0 | 0 | 108 | ||||
| 403 | G | 26.9 | Very low | 33.1 | Very low | 55 Ų | 55 | 117.1 Ų | 117.1 | 57% | 0.567 | 67% | 0.665 | S | S | * | * | trans | -63.4 | 174.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D401 I405 | D401-G403 VanDerWaalsContact C-N 3.34Å; D401-G403 PolarHBondContact O-N 3.43Å; G403-I405 PolarHBondContact O-N 2.79Å | ||
| 404 | M | 27 | Very low | 35 | Very low | 161 Ų | 161 | 111.5 Ų | 111.5 | 79% | 0.793 | 64% | 0.643 | S | S | * | * | trans | -50.5 | 110.7 | -178.1 | -71.6 | -141.8 | 53.2 | 0 | 0 | 113.4 | D406 | M404-D406 VanDerWaalsContact C-N 3.35Å; M404-D406 PolarHBondContact O-N 3.04Å | ||
| 405 | I | 27.6 | Very low | 37 | Very low | 138 Ų | 138 | 104.7 Ų | 104.7 | 71% | 0.708 | 61% | 0.606 | S | S | * | * | trans | -76.5 | 94.5 | 156.3 | -58.9 | 177.2 | 0 | 0 | 0 | 106.2 | G403 I407 | G403-I405 PolarHBondContact O-N 2.79Å; I405-I407 HydrophobicContact CG2-CG1 4.48Å; I405-I407 PolarHBondContact O-N 2.94Å | ||
| 406 | D | 29.6 | Very low | 39.1 | Very low | 96 Ų | 96 | 104.1 Ų | 104.1 | 51% | 0.513 | 60% | 0.598 | S | S | . | * | trans | -67 | 117.9 | 165.9 | -92.9 | -33.7 | 0 | 0 | 0 | 108.8 | M404 S408 | M404-D406 VanDerWaalsContact C-N 3.35Å; M404-D406 PolarHBondContact O-N 3.04Å; D406-S408 PolarHBondContact O-N 2.92Å | ||
| 407 | I | 35.6 | Very low | 41.5 | Very low | 60 Ų | 60 | 101 Ų | 101 | 31% | 0.308 | 57% | 0.573 | S | S | . | * | G | 310 helix | trans | -79.6 | 0.8 | -173.8 | -59.2 | 177.7 | 0 | 0 | 0 | 111.5 | I405 I409 D410 Q411 | I405-I407 HydrophobicContact CG2-CG1 4.48Å; I405-I407 PolarHBondContact O-N 2.94Å; I407-I409 VanDerWaalsContact C-N 3.32Å; I407-I409 PolarHBondContact O-N 3.39Å; I407-D410 PolarHBondContact O-N 3.22Å; I407-Q411 HydrophobicContact CG2-CG 4.34Å; I407-Q411 WeakPolarHBondContact O-CG 3.38Å |
| 408 | S | 35.8 | Very low | 44.4 | Very low | 59 Ų | 59 | 93.2 Ų | 93.2 | 41% | 0.413 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -55.9 | -44.6 | 170.6 | 43.5 | 0 | 0 | 0 | 0 | 112.5 | D406 D410 Q411 D412 | D406-S408 PolarHBondContact O-N 2.92Å; S408-D410 PolarHBondContact O-N 3.11Å; S408-Q411 PolarHBondContact O-N 3.45Å; S408-D412 PolarHBondContact O-N 2.95Å |
| 409 | I | 35.9 | Very low | 47.4 | Very low | 149 Ų | 149 | 85.6 Ų | 85.6 | 76% | 0.764 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -56.8 | -22.1 | -174.2 | -55.4 | 175 | 0 | 0 | 0 | 113 | I407 | I407-I409 VanDerWaalsContact C-N 3.32Å; I407-I409 PolarHBondContact O-N 3.39Å |
| 410 | D | 39.3 | Very low | 50.5 | Low | 92 Ų | 92 | 79.3 Ų | 79.3 | 49% | 0.492 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -110.1 | -0 | -175.2 | -150.9 | 38.9 | 0 | 0 | 0 | 112.4 | R297 I407 S408 | R297-D410 IonicContact CZ-OD1 3.82Å; R297-D410 IonicContact CZ-OD2 3.12Å; R297-D410 IonicContact NE-OD2 2.76Å; R297-D410 IonicContact NH2-OD1 3.05Å; R297-D410 PolarHBondContact NH2-OD1 3.23Å; R297-D410 IonicContact NH2-OD2 2.72Å; R297-D410 PolarHBondContact NH2-OD2 2.98Å; I407-D410 PolarHBondContact O-N 3.22Å; S408-D410 PolarHBondContact O-N 3.11Å |
| 411 | Q | 49.8 | Very low | 53.6 | Low | 55 Ų | 55 | 74.8 Ų | 74.8 | 26% | 0.257 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -28.1 | -177.3 | -74.5 | -163.8 | -126.2 | 0 | 0 | 114.2 | I407 S408 | I407-Q411 HydrophobicContact CG2-CG 4.34Å; I407-Q411 WeakPolarHBondContact O-CG 3.38Å; S408-Q411 PolarHBondContact O-N 3.45Å |
| 412 | D | 53.4 | Low | 56.6 | Low | 87 Ų | 87 | 69 Ų | 69 | 47% | 0.465 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -71.5 | -47.9 | -170.5 | -61.4 | -31.5 | 0 | 0 | 0 | 112.7 | S408 L414 Y415 E416 | S408-D412 PolarHBondContact O-N 2.95Å; D412-L414 PolarHBondContact O-N 2.71Å; D412-Y415 PolarHBondContact O-N 2.95Å; D412-E416 HydrophobicContact CB-CG 4.46Å; D412-E416 WeakPolarHBondContact O-CG 3.46Å; D412-E416 PolarHBondContact O-N 3.39Å |
| 413 | G | 59.1 | Low | 59.7 | Low | 60 Ų | 60 | 62.9 Ų | 62.9 | 62% | 0.619 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -65.6 | 7.5 | -169.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||
| 414 | L | 68.6 | Low | 62.8 | Low | 49 Ų | 49 | 60.3 Ų | 60.3 | 26% | 0.257 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -120.8 | -6.3 | 169.5 | -143.2 | 123.8 | 0 | 0 | 0 | 113.4 | P286 D290 I291 D412 N418 W447 | P286-L414 HydrophobicContact CG-CD2 4.05Å; P286-L414 HydrophobicContact CG-CG 4.35Å; D290-L414 HydrophobicContact CB-CD1 4.49Å; I291-L414 HydrophobicContact CG1-CD2 4.49Å; D412-L414 PolarHBondContact O-N 2.71Å; L414-N418 PolarHBondContact O-ND2 2.91Å; L414-W447 HydrophobicContact CD2-CZ2 4.12Å |
| 415 | Y | 72.3 | Confident | 65.8 | Low | 32 Ų | 32 | 52.6 Ų | 52.6 | 13% | 0.125 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | -27.2 | 164.8 | -67.1 | -67.3 | 0 | 0 | 0 | 111.5 | D412 N417 N418 L421 W447 T450 Y451 | D412-Y415 PolarHBondContact O-N 2.95Å; Y415-N417 PolarHBondContact O-N 2.88Å; Y415-N418 WeakPolarHBondContact O-CB 3.24Å; Y415-N418 PolarHBondContact O-N 3.39Å; Y415-L421 HydrophobicContact CD1-CD1 3.68Å; Y415-L421 HydrophobicContact CE1-CD1 3.95Å; Y415-W447 HydrophobicContact CE1-CZ2 4.02Å; Y415-W447 AromaticContact CZ-NE1 3.84Å; Y415-W447 PolarHBondContact OH-NE1 3.14Å; Y415-T450 WeakPolarHBondContact OH-CG2 3.38Å; Y415-Y451 AromaticContact CD1-CD2 3.7Å; Y415-Y451 HydrophobicContact CD1-CD2 3.7Å; Y415-Y451 HydrophobicContact CD1-CG 4.2Å; Y415-Y451 HydrophobicContact CE1-CD2 4.48Å; Y415-Y451 HydrophobicContact CG-CD2 4.09Å |
| 416 | E | 70.4 | Confident | 68.8 | Low | 135 Ų | 135 | 46.2 Ų | 46.2 | 63% | 0.631 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 128.8 | 166.4 | -74.2 | -176.9 | 150 | 0 | 0 | 110.9 | D412 N418 | D412-E416 HydrophobicContact CB-CG 4.46Å; D412-E416 WeakPolarHBondContact O-CG 3.46Å; D412-E416 PolarHBondContact O-N 3.39Å; E416-N418 PolarHBondContact O-N 2.66Å; E416-N418 VanDerWaalsContact O-N 3.08Å |
| 417 | N | 76.2 | Confident | 71.6 | Confident | 41 Ų | 41 | 41.7 Ų | 41.7 | 22% | 0.219 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 31.5 | -179.8 | -161.5 | 28.9 | 0 | 0 | 0 | 115.1 | T251 V256 T258 Y415 Q419 | T251-N417 PolarHBondContact O-ND2 2.97Å; V256-N417 PolarHBondContact O-ND2 3.25Å; T258-N417 VanDerWaalsContact CB-OD1 3.31Å; T258-N417 WeakPolarHBondContact CB-OD1 3.26Å; T258-N417 PolarHBondContact N-OD1 2.95Å; T258-N417 PolarHBondContact OG1-OD1 3.3Å; Y415-N417 PolarHBondContact O-N 2.88Å; N417-Q419 PolarHBondContact O-N 3.22Å |
| 418 | N | 86.1 | Confident | 74.2 | Confident | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.011 | 22% | 0.215 | C | C | . | . | trans | -75.4 | 96.4 | -176.9 | -167.5 | -52.7 | 0 | 0 | 0 | 112.2 | P286 L414 Y415 E416 K420 L421 E422 | P286-N418 VanDerWaalsContact CD-CG 3.45Å; P286-N418 WeakPolarHBondContact CD-ND2 3.43Å; P286-N418 WeakPolarHBondContact CG-ND2 3.39Å; L414-N418 PolarHBondContact O-ND2 2.91Å; Y415-N418 WeakPolarHBondContact O-CB 3.24Å; Y415-N418 PolarHBondContact O-N 3.39Å; E416-N418 PolarHBondContact O-N 2.66Å; E416-N418 VanDerWaalsContact O-N 3.08Å; N418-K420 VanDerWaalsContact C-N 3.29Å; N418-K420 PolarHBondContact O-N 2.88Å; N418-K420 PolarHBondContact OD1-N 2.93Å; N418-L421 HydrophobicContact CB-CB 4.39Å; N418-L421 HydrophobicContact CB-CD1 4.13Å; N418-L421 HydrophobicContact CB-CG 4.45Å; N418-L421 PolarHBondContact O-N 2.89Å; N418-L421 WeakPolarHBondContact OD1-CG 3.45Å; N418-L421 PolarHBondContact OD1-N 3.16Å; N418-E422 PolarHBondContact O-N 2.84Å | ||
| 419 | Q | 91.4 | Very high | 76.6 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.9 | -29.5 | -170.7 | -60.4 | -179.7 | -25.8 | 0 | 0 | 113.7 | Y248 T251 T258 Y263 L284 T285 N417 L423 | Y248-Q419 HydrophobicContact CD1-CB 4.48Å; Y248-Q419 HydrophobicContact CD1-CG 4.28Å; Y248-Q419 PolarHBondContact O-NE2 3.5Å; Y248-Q419 VanDerWaalsContact O-NE2 3.15Å; T251-Q419 PolarHBondContact OG1-NE2 3.06Å; T251-Q419 VanDerWaalsContact OG1-NE2 3.07Å; T258-Q419 PolarHBondContact OG1-NE2 3.26Å; Y263-Q419 HydrophobicContact CE1-CB 4.13Å; Y263-Q419 HydrophobicContact CE1-CG 4.46Å; Y263-Q419 WeakPolarHBondContact CE1-O 3.45Å; Y263-Q419 WeakPolarHBondContact OH-CA 3.4Å; L284-Q419 HydrophobicContact CB-CB 4.13Å; L284-Q419 HydrophobicContact CD2-CB 4.13Å; T285-Q419 PolarHBondContact O-N 2.88Å; T285-Q419 VanDerWaalsContact O-N 3.11Å; T285-Q419 PolarHBondContact OG1-OE1 2.99Å; N417-Q419 PolarHBondContact O-N 3.22Å; Q419-L423 WeakPolarHBondContact O-CB 2.98Å; Q419-L423 PolarHBondContact O-N 3.39Å; Q419-L423 VanDerWaalsContact O-N 3.16Å |
| 420 | K | 92.4 | Very high | 78.8 | Confident | 5 Ų | 5 | 33.3 Ų | 33.3 | 2% | 0.022 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.3 | -42.2 | 176.5 | -71.8 | 173.1 | 174.7 | 165.3 | 0 | 112.1 | Y281 L284 P286 D288 I291 N418 C424 L439 | Y281-K420 HydrophobicContact CD2-CD 4.45Å; Y281-K420 HydrophobicContact CD2-CG 4.44Å; Y281-K420 HydrophobicContact CE2-CD 3.77Å; Y281-K420 HydrophobicContact CE2-CG 4.09Å; Y281-K420 VanDerWaalsContact CZ-CE 3.49Å; L284-K420 HydrophobicContact CB-CG 3.73Å; L284-K420 HydrophobicContact CD1-CG 4.11Å; L284-K420 VanDerWaalsContact O-CE 3.27Å; L284-K420 WeakPolarHBondContact O-CE 3.42Å; P286-K420 WeakPolarHBondContact O-CE 3.4Å; P286-K420 PolarHBondContact O-NZ 3.02Å; D288-K420 IonicContact OD1-NZ 3.07Å; D288-K420 PolarHBondContact OD1-NZ 3.4Å; I291-K420 HydrophobicContact CD1-CD 4.08Å; N418-K420 VanDerWaalsContact C-N 3.29Å; N418-K420 PolarHBondContact O-N 2.88Å; N418-K420 PolarHBondContact OD1-N 2.93Å; K420-C424 WeakPolarHBondContact O-CB 3.23Å; K420-C424 PolarHBondContact O-N 2.72Å; K420-L439 HydrophobicContact CB-CD2 4.5Å; K420-L439 WeakPolarHBondContact O-CD1 3.15Å |
| 421 | L | 91.6 | Very high | 80.8 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -74.3 | -42 | -177.5 | -65.5 | 173.8 | 0 | 0 | 0 | 112.3 | Y415 N418 C424 A425 L443 W447 A448 Y451 L454 | Y415-L421 HydrophobicContact CD1-CD1 3.68Å; Y415-L421 HydrophobicContact CE1-CD1 3.95Å; N418-L421 HydrophobicContact CB-CB 4.39Å; N418-L421 HydrophobicContact CB-CD1 4.13Å; N418-L421 HydrophobicContact CB-CG 4.45Å; N418-L421 PolarHBondContact O-N 2.89Å; N418-L421 WeakPolarHBondContact OD1-CG 3.45Å; N418-L421 PolarHBondContact OD1-N 3.16Å; L421-C424 WeakPolarHBondContact O-CB 3.34Å; L421-C424 PolarHBondContact O-N 3.39Å; L421-A425 PolarHBondContact O-N 2.88Å; L421-L443 HydrophobicContact CD2-CD1 3.92Å; L421-W447 HydrophobicContact CD1-CH2 3.88Å; L421-W447 HydrophobicContact CD1-CZ2 4.42Å; L421-W447 HydrophobicContact CD1-CZ3 4.2Å; L421-W447 HydrophobicContact CD2-CH2 4.48Å; L421-W447 HydrophobicContact CD2-CZ3 3.99Å; L421-W447 HydrophobicContact CG-CH2 4.28Å; L421-W447 HydrophobicContact CG-CZ3 4.26Å; L421-A448 HydrophobicContact CD2-CB 3.9Å; L421-Y451 HydrophobicContact CB-CD1 3.95Å; L421-Y451 HydrophobicContact CB-CE1 4.24Å; L421-Y451 HydrophobicContact CD1-CD1 4.21Å; L421-Y451 HydrophobicContact CD1-CD2 4.42Å; L421-Y451 HydrophobicContact CD1-CG 3.93Å; L421-L454 HydrophobicContact CD2-CD2 3.95Å |
| 422 | E | 91.4 | Very high | 82.5 | Confident | 45 Ų | 45 | 27.5 Ų | 27.5 | 21% | 0.21 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -72.3 | -33.8 | 178.3 | -76.4 | -81 | -142.8 | 0 | 0 | 112.8 | Y263 N418 C424 A425 A426 R429 Y451 | Y263-E422 HydrophobicContact CD1-CB 4.24Å; Y263-E422 HydrophobicContact CD2-CB 3.78Å; Y263-E422 HydrophobicContact CE1-CB 3.89Å; Y263-E422 HydrophobicContact CE2-CB 3.42Å; Y263-E422 VanDerWaalsContact CE2-CB 3.42Å; Y263-E422 HydrophobicContact CE2-CG 4.11Å; Y263-E422 HydrophobicContact CG-CB 4.19Å; Y263-E422 VanDerWaalsContact CZ-CB 3.46Å; N418-E422 PolarHBondContact O-N 2.84Å; E422-C424 VanDerWaalsContact C-N 3.31Å; E422-C424 PolarHBondContact O-N 2.73Å; E422-A425 PolarHBondContact O-N 3Å; E422-A426 WeakPolarHBondContact O-CB 3.24Å; E422-A426 PolarHBondContact O-N 3.33Å; E422-R429 IonicContact OE2-NH2 3.7Å; E422-Y451 PolarHBondContact OE1-OH 2.94Å |
| 423 | L | 92.9 | Very high | 84.1 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.9 | -39.9 | 169.4 | -177.3 | 64.8 | 0 | 0 | 0 | 111.3 | Y263 A267 I270 L280 L284 Q419 A426 M427 | Y263-L423 HydrophobicContact CD1-CB 3.99Å; Y263-L423 HydrophobicContact CE1-CB 4.48Å; A267-L423 HydrophobicContact CB-CD1 4.14Å; I270-L423 HydrophobicContact CD1-CD2 4.43Å; L280-L423 HydrophobicContact CD2-CD2 3.91Å; L284-L423 HydrophobicContact CD1-CD2 3.59Å; Q419-L423 WeakPolarHBondContact O-CB 2.98Å; Q419-L423 PolarHBondContact O-N 3.39Å; Q419-L423 VanDerWaalsContact O-N 3.16Å; L423-A426 PolarHBondContact O-N 2.77Å; L423-M427 HydrophobicContact CD1-CE 4.46Å; L423-M427 HydrophobicContact CD2-CE 4.32Å; L423-M427 HydrophobicContact CG-CE 4.14Å; L423-M427 WeakPolarHBondContact O-CG 3.38Å; L423-M427 PolarHBondContact O-N 3.31Å |
| 424 | C | 92.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.7 | -44.5 | 173.9 | -163.9 | 0 | 0 | 0 | 0 | 111.2 | K420 L421 E422 A426 M427 V428 L439 L454 | K420-C424 WeakPolarHBondContact O-CB 3.23Å; K420-C424 PolarHBondContact O-N 2.72Å; L421-C424 WeakPolarHBondContact O-CB 3.34Å; L421-C424 PolarHBondContact O-N 3.39Å; E422-C424 VanDerWaalsContact C-N 3.31Å; E422-C424 PolarHBondContact O-N 2.73Å; C424-A426 PolarHBondContact O-N 2.95Å; C424-M427 WeakPolarHBondContact O-CB 3.4Å; C424-M427 PolarHBondContact O-N 3.34Å; C424-V428 WeakPolarHBondContact O-CG2 3.34Å; C424-V428 PolarHBondContact O-N 2.93Å; C424-L439 HydrophobicContact CB-CD1 3.96Å; C424-L439 HydrophobicContact CB-CD2 3.98Å; C424-L439 HydrophobicContact CB-CG 4.45Å; C424-L454 HydrophobicContact CB-CD1 4.12Å; C424-L454 HydrophobicContact CB-CD2 4.25Å |
| 425 | A | 91 | Very high | 86.5 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.6 | -41.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L421 E422 M427 V428 R429 L454 | L421-A425 PolarHBondContact O-N 2.88Å; E422-A425 PolarHBondContact O-N 3Å; A425-M427 PolarHBondContact O-N 3.12Å; A425-V428 PolarHBondContact O-N 3.33Å; A425-R429 VanDerWaalsContact O-CG 3.32Å; A425-R429 WeakPolarHBondContact O-CG 3.43Å; A425-R429 PolarHBondContact O-N 3.03Å; A425-L454 HydrophobicContact CB-CB 4.45Å; A425-L454 HydrophobicContact CB-CD1 4.05Å |
| 426 | A | 89.3 | Confident | 87.4 | Confident | 4 Ų | 4 | 21.7 Ų | 21.7 | 3% | 0.033 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.2 | -40.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A267 E422 L423 C424 R429 L430 | A267-A426 HydrophobicContact CB-CB 3.99Å; E422-A426 WeakPolarHBondContact O-CB 3.24Å; E422-A426 PolarHBondContact O-N 3.33Å; L423-A426 PolarHBondContact O-N 2.77Å; C424-A426 PolarHBondContact O-N 2.95Å; A426-R429 PolarHBondContact O-N 3.2Å; A426-L430 WeakPolarHBondContact O-CG 3.27Å; A426-L430 PolarHBondContact O-N 2.86Å |
| 427 | M | 89.7 | Confident | 88.4 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.7 | -42.8 | 172.9 | -70 | 178.4 | 177.3 | 0 | 0 | 112.3 | A267 I270 L277 L423 C424 A425 L430 G431 D432 N435 A436 | A267-M427 HydrophobicContact CB-CG 3.75Å; I270-M427 HydrophobicContact CB-CE 4.19Å; I270-M427 HydrophobicContact CD1-CE 3.48Å; I270-M427 VanDerWaalsContact CD1-CE 3.48Å; I270-M427 HydrophobicContact CG1-CE 4.42Å; I270-M427 HydrophobicContact CG2-CE 3.8Å; L277-M427 HydrophobicContact CD1-CE 3.97Å; L277-M427 HydrophobicContact CD2-CE 4.42Å; L423-M427 HydrophobicContact CD1-CE 4.46Å; L423-M427 HydrophobicContact CD2-CE 4.32Å; L423-M427 HydrophobicContact CG-CE 4.14Å; L423-M427 WeakPolarHBondContact O-CG 3.38Å; L423-M427 PolarHBondContact O-N 3.31Å; C424-M427 WeakPolarHBondContact O-CB 3.4Å; C424-M427 PolarHBondContact O-N 3.34Å; A425-M427 PolarHBondContact O-N 3.12Å; M427-L430 PolarHBondContact O-N 3.11Å; M427-G431 PolarHBondContact O-N 3.36Å; M427-G431 VanDerWaalsContact O-N 3.1Å; M427-D432 PolarHBondContact O-N 3.34Å; M427-N435 HydrophobicContact CE-CB 4.14Å; M427-N435 VanDerWaalsContact SD-C 3.6Å; M427-N435 HydrophobicContact SD-CB 3.75Å; M427-A436 HydrophobicContact CB-CB 4Å |
| 428 | V | 88.8 | Confident | 89.1 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.6 | -46.8 | 176.1 | 174.4 | 0 | 0 | 0 | 0 | 110.6 | C424 A425 L430 G431 A436 L454 D457 I458 L461 F492 | C424-V428 WeakPolarHBondContact O-CG2 3.34Å; C424-V428 PolarHBondContact O-N 2.93Å; A425-V428 PolarHBondContact O-N 3.33Å; V428-L430 VanDerWaalsContact C-N 3.29Å; V428-L430 PolarHBondContact O-N 3.48Å; V428-G431 PolarHBondContact O-N 2.98Å; V428-A436 HydrophobicContact CG2-CB 3.82Å; V428-L454 HydrophobicContact CG2-CD1 4.25Å; V428-D457 HydrophobicContact CB-CB 4.46Å; V428-D457 HydrophobicContact CG1-CB 3.94Å; V428-I458 HydrophobicContact CG1-CG1 4.08Å; V428-I458 HydrophobicContact CG2-CG1 4.02Å; V428-L461 HydrophobicContact CG1-CB 4.23Å; V428-L461 HydrophobicContact CG1-CD2 4.18Å; V428-F492 WeakPolarHBondContact O-CE1 3.39Å |
| 429 | R | 85.8 | Confident | 89.3 | Confident | 50 Ų | 50 | 22.4 Ų | 22.4 | 19% | 0.189 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58.4 | -36.6 | 175.7 | -68.8 | 173.1 | -161.4 | 144.8 | 26 | 112.6 | E260 E422 A425 A426 G431 D457 F492 | E260-R429 IonicContact OE1-NH1 3.77Å; E260-R429 PolarHBondContact OE1-NH1 3.18Å; E422-R429 IonicContact OE2-NH2 3.7Å; A425-R429 VanDerWaalsContact O-CG 3.32Å; A425-R429 WeakPolarHBondContact O-CG 3.43Å; A425-R429 PolarHBondContact O-N 3.03Å; A426-R429 PolarHBondContact O-N 3.2Å; R429-G431 VanDerWaalsContact C-N 3.3Å; R429-D457 WeakPolarHBondContact CG-OD1 3.49Å; R429-D457 IonicContact CZ-OD2 2.66Å; R429-D457 IonicContact NE-OD1 2.72Å; R429-D457 PolarHBondContact NE-OD1 3.43Å; R429-D457 IonicContact NE-OD2 3.58Å; R429-D457 PolarHBondContact NE-OD2 3.37Å; R429-D457 IonicContact NH2-OD2 2.64Å; R429-D457 PolarHBondContact NH2-OD2 2.86Å; R429-F492 VanDerWaalsContact O-CD1 3.3Å; R429-F492 WeakPolarHBondContact O-CD1 3.34Å |
| 430 | L | 83.1 | Confident | 89.2 | Confident | 43 Ų | 43 | 23 Ų | 23 | 23% | 0.225 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -74.4 | -16.3 | 173.9 | -72.4 | 176.6 | 0 | 0 | 0 | 113.9 | A267 F268 A426 M427 V428 | A267-L430 HydrophobicContact CB-CD1 3.62Å; F268-L430 HydrophobicContact CB-CD1 4.11Å; F268-L430 HydrophobicContact CD2-CD2 4.45Å; A426-L430 WeakPolarHBondContact O-CG 3.27Å; A426-L430 PolarHBondContact O-N 2.86Å; M427-L430 PolarHBondContact O-N 3.11Å; V428-L430 VanDerWaalsContact C-N 3.29Å; V428-L430 PolarHBondContact O-N 3.48Å |
| 431 | G | 80.9 | Confident | 89.2 | Confident | 11 Ų | 11 | 27.9 Ų | 27.9 | 11% | 0.113 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | 8.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115 | M427 V428 R429 W433 | M427-G431 PolarHBondContact O-N 3.36Å; M427-G431 VanDerWaalsContact O-N 3.1Å; V428-G431 PolarHBondContact O-N 2.98Å; R429-G431 VanDerWaalsContact C-N 3.3Å; G431-W433 VanDerWaalsContact C-N 3.26Å; G431-W433 PolarHBondContact O-N 3.18Å |
| 432 | D | 85.2 | Confident | 89 | Confident | 14 Ų | 14 | 32.7 Ų | 32.7 | 8% | 0.075 | 15% | 0.151 | C | C | . | . | trans | -83.5 | 70.2 | 175.4 | -169.5 | -6.1 | 0 | 0 | 0 | 111.4 | W271 M427 T434 N435 A436 | W271-D432 WeakPolarHBondContact CA-OD2 3.34Å; W271-D432 HydrophobicContact CB-CB 4.46Å; W271-D432 HydrophobicContact CG-CB 4.44Å; M427-D432 PolarHBondContact O-N 3.34Å; D432-T434 PolarHBondContact O-N 3.09Å; D432-T434 PolarHBondContact OD1-N 3.21Å; D432-N435 PolarHBondContact O-N 2.92Å; D432-N435 PolarHBondContact OD1-N 2.86Å; D432-N435 VanDerWaalsContact OD1-N 3.1Å; D432-N435 PolarHBondContact OD2-ND2 3.48Å; D432-A436 WeakPolarHBondContact O-CB 3.31Å; D432-A436 PolarHBondContact O-N 2.92Å; D432-A436 VanDerWaalsContact O-N 3.09Å | ||
| 433 | W | 88.6 | Confident | 88.9 | Confident | 15 Ų | 15 | 31.1 Ų | 31.1 | 6% | 0.057 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.8 | -27.7 | 174.6 | -179.8 | -96.3 | 0 | 0 | 0 | 112.9 | G431 N435 A436 Q437 L440 I458 L461 L534 I550 Y553 | G431-W433 VanDerWaalsContact C-N 3.26Å; G431-W433 PolarHBondContact O-N 3.18Å; W433-N435 PolarHBondContact O-N 2.95Å; W433-A436 PolarHBondContact O-N 3.13Å; W433-Q437 HydrophobicContact CZ2-CB 4.22Å; W433-Q437 HydrophobicContact CZ2-CG 4.48Å; W433-Q437 WeakPolarHBondContact O-CB 3.28Å; W433-Q437 PolarHBondContact O-N 3.45Å; W433-L440 HydrophobicContact CH2-CD1 3.65Å; W433-L440 HydrophobicContact CZ2-CD1 4.38Å; W433-L440 HydrophobicContact CZ3-CD1 4.13Å; W433-I458 HydrophobicContact CZ3-CD1 4.41Å; W433-I458 HydrophobicContact CZ3-CG1 4.26Å; W433-I458 HydrophobicContact CZ3-CG2 4.39Å; W433-L461 HydrophobicContact CE3-CD2 4Å; W433-L534 HydrophobicContact CB-CD1 3.37Å; W433-L534 HydrophobicContact CB-CG 4.39Å; W433-L534 HydrophobicContact CG-CD1 3.91Å; W433-I550 HydrophobicContact CD2-CD1 4.37Å; W433-I550 HydrophobicContact CD2-CG1 4.01Å; W433-I550 HydrophobicContact CD2-CG2 4.22Å; W433-I550 HydrophobicContact CE3-CG2 4.03Å; W433-I550 HydrophobicContact CG-CD1 4.34Å; W433-I550 HydrophobicContact CG-CG1 4.33Å; W433-I550 HydrophobicContact CH2-CG2 3.82Å; W433-I550 HydrophobicContact CZ2-CB 4.26Å; W433-I550 HydrophobicContact CZ2-CG1 4.08Å; W433-I550 HydrophobicContact CZ2-CG2 4.01Å; W433-I550 HydrophobicContact CZ3-CG2 3.83Å; W433-Y553 HydrophobicContact CH2-CD2 4.18Å; W433-Y553 HydrophobicContact CH2-CG 4.26Å; W433-Y553 AromaticContact CZ2-CD2 3.7Å; W433-Y553 HydrophobicContact CZ2-CD2 3.7Å; W433-Y553 HydrophobicContact CZ2-CE2 4.04Å; W433-Y553 HydrophobicContact CZ2-CG 4.16Å |
| 434 | T | 88.3 | Confident | 88.5 | Confident | 75 Ų | 75 | 32.3 Ų | 32.3 | 46% | 0.46 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -66.9 | -40 | -176.1 | -59.1 | 0 | 0 | 0 | 0 | 111.3 | D432 R438 | D432-T434 PolarHBondContact O-N 3.09Å; D432-T434 PolarHBondContact OD1-N 3.21Å; T434-R438 WeakPolarHBondContact O-CD 3.25Å; T434-R438 WeakPolarHBondContact O-CG 3.44Å |
| 435 | N | 89.5 | Confident | 88 | Confident | 15 Ų | 15 | 35.3 Ų | 35.3 | 8% | 0.08 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -83.7 | -31.9 | 175.2 | -70.1 | -49.4 | 0 | 0 | 0 | 112.7 | I270 L277 M427 D432 W433 Q437 R438 L439 | I270-N435 HydrophobicContact CG2-CB 4.09Å; L277-N435 HydrophobicContact CD2-CB 4.2Å; M427-N435 HydrophobicContact CE-CB 4.14Å; M427-N435 VanDerWaalsContact SD-C 3.6Å; M427-N435 HydrophobicContact SD-CB 3.75Å; D432-N435 PolarHBondContact O-N 2.92Å; D432-N435 PolarHBondContact OD1-N 2.86Å; D432-N435 VanDerWaalsContact OD1-N 3.1Å; D432-N435 PolarHBondContact OD2-ND2 3.48Å; W433-N435 PolarHBondContact O-N 2.95Å; N435-Q437 PolarHBondContact O-N 2.92Å; N435-R438 PolarHBondContact O-N 3.08Å; N435-R438 PolarHBondContact OD1-NH1 2.99Å; N435-L439 PolarHBondContact O-N 3.33Å |
| 436 | A | 90.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.2 | -44.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | M427 V428 D432 W433 R438 L439 L440 | M427-A436 HydrophobicContact CB-CB 4Å; V428-A436 HydrophobicContact CG2-CB 3.82Å; D432-A436 WeakPolarHBondContact O-CB 3.31Å; D432-A436 PolarHBondContact O-N 2.92Å; D432-A436 VanDerWaalsContact O-N 3.09Å; W433-A436 PolarHBondContact O-N 3.13Å; A436-R438 PolarHBondContact O-N 2.91Å; A436-L439 WeakPolarHBondContact O-CB 3.29Å; A436-L439 PolarHBondContact O-N 3.24Å; A436-L439 VanDerWaalsContact O-N 3.13Å; A436-L440 WeakPolarHBondContact O-CG 3.33Å; A436-L440 PolarHBondContact O-N 3.02Å |
| 437 | Q | 91 | Very high | 87.7 | Confident | 61 Ų | 61 | 37.4 Ų | 37.4 | 29% | 0.285 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -58.8 | -44 | 177.3 | -177.9 | 179.2 | -31.6 | 0 | 0 | 112.1 | W433 N435 L439 L440 E441 Y553 | W433-Q437 HydrophobicContact CZ2-CB 4.22Å; W433-Q437 HydrophobicContact CZ2-CG 4.48Å; W433-Q437 WeakPolarHBondContact O-CB 3.28Å; W433-Q437 PolarHBondContact O-N 3.45Å; N435-Q437 PolarHBondContact O-N 2.92Å; Q437-L439 PolarHBondContact O-N 3.19Å; Q437-L440 PolarHBondContact O-N 3.48Å; Q437-E441 HydrophobicContact CG-CG 4.34Å; Q437-E441 WeakPolarHBondContact CG-OE1 3.41Å; Q437-E441 PolarHBondContact NE2-OE1 3.4Å; Q437-E441 WeakPolarHBondContact O-CB 3.33Å; Q437-E441 VanDerWaalsContact O-CG 3.31Å; Q437-E441 WeakPolarHBondContact O-CG 3.1Å; Q437-E441 PolarHBondContact O-N 3.44Å; Q437-Y553 HydrophobicContact CG-CE1 4.26Å; Q437-Y553 HydrophobicContact CG-CE2 4.35Å; Q437-Y553 WeakPolarHBondContact CG-OH 3.43Å; Q437-Y553 PolarHBondContact NE2-OH 3.05Å; Q437-Y553 VanDerWaalsContact NE2-OH 3.13Å |
| 438 | R | 90.8 | Very high | 87.7 | Confident | 133 Ų | 133 | 37.6 Ų | 37.6 | 50% | 0.502 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.3 | -32.2 | 176.9 | -72.2 | 165.2 | 168.8 | -171.9 | -14.2 | 113.1 | L277 T434 N435 A436 | L277-R438 HydrophobicContact CD2-CB 4.22Å; T434-R438 WeakPolarHBondContact O-CD 3.25Å; T434-R438 WeakPolarHBondContact O-CG 3.44Å; N435-R438 PolarHBondContact O-N 3.08Å; N435-R438 PolarHBondContact OD1-NH1 2.99Å; A436-R438 PolarHBondContact O-N 2.91Å |
| 439 | L | 90.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -74.6 | -47.1 | 175.4 | -162.4 | 163.7 | 0 | 0 | 0 | 110.1 | Y281 K420 C424 N435 A436 Q437 E441 R442 L443 | Y281-L439 HydrophobicContact CD2-CG 4.38Å; Y281-L439 HydrophobicContact CE2-CG 4.29Å; K420-L439 HydrophobicContact CB-CD2 4.5Å; K420-L439 WeakPolarHBondContact O-CD1 3.15Å; C424-L439 HydrophobicContact CB-CD1 3.96Å; C424-L439 HydrophobicContact CB-CD2 3.98Å; C424-L439 HydrophobicContact CB-CG 4.45Å; N435-L439 PolarHBondContact O-N 3.33Å; A436-L439 WeakPolarHBondContact O-CB 3.29Å; A436-L439 PolarHBondContact O-N 3.24Å; A436-L439 VanDerWaalsContact O-N 3.13Å; Q437-L439 PolarHBondContact O-N 3.19Å; L439-E441 VanDerWaalsContact C-N 3.3Å; L439-E441 PolarHBondContact O-N 3.17Å; L439-R442 PolarHBondContact O-N 3.3Å; L439-R442 VanDerWaalsContact O-N 3.12Å; L439-L443 HydrophobicContact CD2-CD1 3.79Å; L439-L443 HydrophobicContact CD2-CG 4.41Å |
| 440 | L | 90.5 | Very high | 87.6 | Confident | 12 Ų | 12 | 36.8 Ų | 36.8 | 6% | 0.063 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.2 | -40.5 | 175 | -68.9 | 171.8 | 0 | 0 | 0 | 112.5 | W433 A436 Q437 R442 L443 A448 L454 I458 Y553 | W433-L440 HydrophobicContact CH2-CD1 3.65Å; W433-L440 HydrophobicContact CZ2-CD1 4.38Å; W433-L440 HydrophobicContact CZ3-CD1 4.13Å; A436-L440 WeakPolarHBondContact O-CG 3.33Å; A436-L440 PolarHBondContact O-N 3.02Å; Q437-L440 PolarHBondContact O-N 3.48Å; L440-R442 PolarHBondContact O-N 3.45Å; L440-L443 PolarHBondContact O-N 2.7Å; L440-A448 HydrophobicContact CD2-CB 3.66Å; L440-L454 HydrophobicContact CD2-CD2 4.23Å; L440-I458 HydrophobicContact CD1-CD1 4.39Å; L440-Y553 HydrophobicContact CB-CD1 4.15Å; L440-Y553 HydrophobicContact CB-CE1 4.46Å; L440-Y553 HydrophobicContact CD1-CD1 4.24Å; L440-Y553 HydrophobicContact CD1-CG 4.46Å |
| 441 | E | 90.5 | Very high | 87.9 | Confident | 108 Ų | 108 | 36.4 Ų | 36.4 | 51% | 0.505 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -13.2 | 178.8 | -76.3 | 173.3 | -179 | 0 | 0 | 114.5 | Q437 L439 Y553 | Q437-E441 HydrophobicContact CG-CG 4.34Å; Q437-E441 WeakPolarHBondContact CG-OE1 3.41Å; Q437-E441 PolarHBondContact NE2-OE1 3.4Å; Q437-E441 WeakPolarHBondContact O-CB 3.33Å; Q437-E441 VanDerWaalsContact O-CG 3.31Å; Q437-E441 WeakPolarHBondContact O-CG 3.1Å; Q437-E441 PolarHBondContact O-N 3.44Å; L439-E441 VanDerWaalsContact C-N 3.3Å; L439-E441 PolarHBondContact O-N 3.17Å; E441-Y553 HydrophobicContact CG-CE1 4.03Å; E441-Y553 PolarHBondContact OE1-OH 2.99Å |
| 442 | R | 89.1 | Confident | 88.2 | Confident | 100 Ų | 100 | 39.1 Ų | 39.1 | 38% | 0.377 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -14.7 | 172.3 | -70.9 | -175.5 | 171.8 | 140.3 | 10 | 113.8 | D278 Y281 L439 L440 | D278-R442 IonicContact OD1-CZ 2.68Å; D278-R442 IonicContact OD1-NH1 3.39Å; D278-R442 PolarHBondContact OD1-NH1 3.38Å; D278-R442 IonicContact OD1-NH2 3.79Å; D278-R442 PolarHBondContact OD1-NH2 3.5Å; D278-R442 IonicContact OD2-NH2 2.66Å; D278-R442 PolarHBondContact OD2-NH2 3.44Å; Y281-R442 HydrophobicContact CE2-CB 4.43Å; L439-R442 PolarHBondContact O-N 3.3Å; L439-R442 VanDerWaalsContact O-N 3.12Å; L440-R442 PolarHBondContact O-N 3.45Å |
| 443 | L | 88.2 | Confident | 88.3 | Confident | 12 Ų | 12 | 40.8 Ų | 40.8 | 6% | 0.063 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -94.9 | 149 | -173.6 | -62.2 | 178.3 | 0 | 0 | 0 | 111.6 | I291 L421 L439 L440 G445 W447 A448 | I291-L443 HydrophobicContact CD1-CD2 4Å; L421-L443 HydrophobicContact CD2-CD1 3.92Å; L439-L443 HydrophobicContact CD2-CD1 3.79Å; L439-L443 HydrophobicContact CD2-CG 4.41Å; L440-L443 PolarHBondContact O-N 2.7Å; L443-G445 PolarHBondContact O-N 3.13Å; L443-W447 HydrophobicContact CB-CE3 4.24Å; L443-W447 HydrophobicContact CD1-CE3 4.25Å; L443-W447 HydrophobicContact CD1-CZ3 3.98Å; L443-W447 HydrophobicContact CD2-CE3 4.23Å; L443-W447 HydrophobicContact CD2-CZ3 3.82Å; L443-W447 HydrophobicContact CG-CE3 4.47Å; L443-W447 HydrophobicContact CG-CZ3 4.35Å; L443-A448 HydrophobicContact CB-CB 4.27Å; L443-A448 HydrophobicContact CD1-CB 3.65Å |
| 444 | P | 85.5 | Confident | 88.4 | Confident | 26 Ų | 26 | 40 Ų | 40 | 17% | 0.169 | 21% | 0.206 | C | C | . | . | trans | -75.5 | 101.4 | -171.4 | 28.2 | -33.8 | 0 | 0 | 0 | 112.6 | I291 H295 Y446 W447 | I291-P444 HydrophobicContact CG2-CG 3.78Å; H295-P444 HydrophobicContact CB-CG 4.15Å; P444-Y446 PolarHBondContact O-N 2.85Å; P444-W447 HydrophobicContact CG-CB 4.08Å; P444-W447 HydrophobicContact CG-CG 4.37Å; P444-W447 VanDerWaalsContact O-CB 3.23Å; P444-W447 WeakPolarHBondContact O-CB 3.15Å; P444-W447 PolarHBondContact O-N 3.06Å | ||
| 445 | G | 81.8 | Confident | 88.6 | Confident | 62 Ų | 62 | 36.5 Ų | 36.5 | 64% | 0.639 | 18% | 0.184 | S | C | * | . | G | 310 helix | trans | 60.4 | -133.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L443 W447 | L443-G445 PolarHBondContact O-N 3.13Å; G445-W447 VanDerWaalsContact C-N 3.26Å; G445-W447 PolarHBondContact O-N 3.38Å |
| 446 | Y | 86.3 | Confident | 88.7 | Confident | 48 Ų | 48 | 41.1 Ų | 41.1 | 19% | 0.188 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -86 | 13.4 | -179.4 | -56.2 | -55.4 | 0 | 0 | 0 | 113.8 | P444 A448 T449 T450 G555 P556 E601 | P444-Y446 PolarHBondContact O-N 2.85Å; Y446-A448 VanDerWaalsContact C-N 3.31Å; Y446-A448 PolarHBondContact O-N 3.37Å; Y446-T449 PolarHBondContact O-N 2.82Å; Y446-T449 PolarHBondContact O-OG1 2.98Å; Y446-T450 PolarHBondContact O-N 3.15Å; Y446-T450 VanDerWaalsContact O-N 3.11Å; Y446-T450 PolarHBondContact O-OG1 3.27Å; Y446-G555 VanDerWaalsContact CE1-CA 3.47Å; Y446-P556 HydrophobicContact CD2-CG 4.47Å; Y446-E601 PolarHBondContact OH-OE2 3.03Å |
| 447 | W | 87.5 | Confident | 88.6 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 0% | 0.004 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -57.5 | -41.8 | 177 | 176 | 76.9 | 0 | 0 | 0 | 112.6 | I291 L414 Y415 L421 L443 P444 G445 T449 T450 | I291-W447 HydrophobicContact CB-CH2 4.38Å; I291-W447 HydrophobicContact CD1-CH2 3.9Å; I291-W447 HydrophobicContact CD1-CZ3 4.03Å; I291-W447 HydrophobicContact CG1-CH2 3.74Å; I291-W447 HydrophobicContact CG1-CZ2 4.16Å; I291-W447 HydrophobicContact CG1-CZ3 4.2Å; I291-W447 HydrophobicContact CG2-CD2 3.81Å; I291-W447 HydrophobicContact CG2-CE3 3.65Å; I291-W447 HydrophobicContact CG2-CH2 3.8Å; I291-W447 HydrophobicContact CG2-CZ2 3.97Å; I291-W447 HydrophobicContact CG2-CZ3 3.64Å; L414-W447 HydrophobicContact CD2-CZ2 4.12Å; Y415-W447 HydrophobicContact CE1-CZ2 4.02Å; Y415-W447 AromaticContact CZ-NE1 3.84Å; Y415-W447 PolarHBondContact OH-NE1 3.14Å; L421-W447 HydrophobicContact CD1-CH2 3.88Å; L421-W447 HydrophobicContact CD1-CZ2 4.42Å; L421-W447 HydrophobicContact CD1-CZ3 4.2Å; L421-W447 HydrophobicContact CD2-CH2 4.48Å; L421-W447 HydrophobicContact CD2-CZ3 3.99Å; L421-W447 HydrophobicContact CG-CH2 4.28Å; L421-W447 HydrophobicContact CG-CZ3 4.26Å; L443-W447 HydrophobicContact CB-CE3 4.24Å; L443-W447 HydrophobicContact CD1-CE3 4.25Å; L443-W447 HydrophobicContact CD1-CZ3 3.98Å; L443-W447 HydrophobicContact CD2-CE3 4.23Å; L443-W447 HydrophobicContact CD2-CZ3 3.82Å; L443-W447 HydrophobicContact CG-CE3 4.47Å; L443-W447 HydrophobicContact CG-CZ3 4.35Å; P444-W447 HydrophobicContact CG-CB 4.08Å; P444-W447 HydrophobicContact CG-CG 4.37Å; P444-W447 VanDerWaalsContact O-CB 3.23Å; P444-W447 WeakPolarHBondContact O-CB 3.15Å; P444-W447 PolarHBondContact O-N 3.06Å; G445-W447 VanDerWaalsContact C-N 3.26Å; G445-W447 PolarHBondContact O-N 3.38Å; W447-T449 VanDerWaalsContact C-N 3.3Å; W447-T449 PolarHBondContact O-N 2.96Å; W447-T450 WeakPolarHBondContact O-CB 3.37Å; W447-T450 PolarHBondContact O-N 3.29Å |
| 448 | A | 88.4 | Confident | 88.7 | Confident | 3 Ų | 3 | 39.3 Ų | 39.3 | 3% | 0.025 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -62.1 | -37.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L421 L440 L443 Y446 T450 Y451 L454 | L421-A448 HydrophobicContact CD2-CB 3.9Å; L440-A448 HydrophobicContact CD2-CB 3.66Å; L443-A448 HydrophobicContact CB-CB 4.27Å; L443-A448 HydrophobicContact CD1-CB 3.65Å; Y446-A448 VanDerWaalsContact C-N 3.31Å; Y446-A448 PolarHBondContact O-N 3.37Å; A448-T450 VanDerWaalsContact C-N 3.34Å; A448-Y451 WeakPolarHBondContact O-CB 3.33Å; A448-Y451 PolarHBondContact O-N 3.27Å; A448-L454 HydrophobicContact CB-CD2 4.38Å |
| 449 | T | 87.1 | Confident | 88.7 | Confident | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.018 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -88.2 | -1.9 | -177.9 | 45.2 | 0 | 0 | 0 | 0 | 113.7 | Y446 W447 T455 I458 Y553 L554 H557 | Y446-T449 PolarHBondContact O-N 2.82Å; Y446-T449 PolarHBondContact O-OG1 2.98Å; W447-T449 VanDerWaalsContact C-N 3.3Å; W447-T449 PolarHBondContact O-N 2.96Å; T449-T455 VanDerWaalsContact CA-OG1 3.24Å; T449-T455 WeakPolarHBondContact CA-OG1 3.19Å; T449-T455 WeakPolarHBondContact CB-OG1 3.48Å; T449-T455 PolarHBondContact O-OG1 3.42Å; T449-I458 HydrophobicContact CG2-CD1 4.27Å; T449-Y553 WeakPolarHBondContact CG2-O 3.39Å; T449-Y553 PolarHBondContact OG1-O 3.17Å; T449-L554 HydrophobicContact CG2-CD2 3.97Å; T449-H557 VanDerWaalsContact O-CB 3.29Å; T449-H557 WeakPolarHBondContact O-CB 3.23Å; T449-H557 VanDerWaalsContact O-CG 3.23Å |
| 450 | T | 86.4 | Confident | 88.7 | Confident | 30 Ų | 30 | 36.8 Ų | 36.8 | 18% | 0.184 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -68.3 | -22.3 | 160 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | Y415 Y446 W447 A448 E452 H557 | Y415-T450 WeakPolarHBondContact OH-CG2 3.38Å; Y446-T450 PolarHBondContact O-N 3.15Å; Y446-T450 VanDerWaalsContact O-N 3.11Å; Y446-T450 PolarHBondContact O-OG1 3.27Å; W447-T450 WeakPolarHBondContact O-CB 3.37Å; W447-T450 PolarHBondContact O-N 3.29Å; A448-T450 VanDerWaalsContact C-N 3.34Å; T450-E452 PolarHBondContact O-N 3.23Å; T450-H557 PolarHBondContact OG1-NE2 2.72Å |
| 451 | Y | 88.8 | Confident | 88.6 | Confident | 36 Ų | 36 | 36.2 Ų | 36.2 | 14% | 0.141 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -80.3 | 107.9 | 174.7 | -175.7 | -114.4 | 0 | 0 | 0 | 111 | Y415 L421 E422 A448 P453 L454 T455 | Y415-Y451 AromaticContact CD1-CD2 3.7Å; Y415-Y451 HydrophobicContact CD1-CD2 3.7Å; Y415-Y451 HydrophobicContact CD1-CG 4.2Å; Y415-Y451 HydrophobicContact CE1-CD2 4.48Å; Y415-Y451 HydrophobicContact CG-CD2 4.09Å; L421-Y451 HydrophobicContact CB-CD1 3.95Å; L421-Y451 HydrophobicContact CB-CE1 4.24Å; L421-Y451 HydrophobicContact CD1-CD1 4.21Å; L421-Y451 HydrophobicContact CD1-CD2 4.42Å; L421-Y451 HydrophobicContact CD1-CG 3.93Å; E422-Y451 PolarHBondContact OE1-OH 2.94Å; A448-Y451 WeakPolarHBondContact O-CB 3.33Å; A448-Y451 PolarHBondContact O-N 3.27Å; Y451-P453 HydrophobicContact CD1-CB 4.42Å; Y451-P453 HydrophobicContact CD1-CG 4.42Å; Y451-P453 HydrophobicContact CE1-CB 3.83Å; Y451-P453 HydrophobicContact CE1-CG 3.82Å; Y451-P453 HydrophobicContact CE2-CG 4.19Å; Y451-L454 HydrophobicContact CD1-CB 3.82Å; Y451-L454 PolarHBondContact O-N 3.4Å; Y451-T455 PolarHBondContact O-N 2.93Å |
| 452 | E | 87.4 | Confident | 88.7 | Confident | 68 Ų | 68 | 31.1 Ų | 31.1 | 32% | 0.318 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -58 | -43.2 | -168.7 | -176 | 176.8 | -164.9 | 0 | 0 | 115.2 | T450 L454 T455 R456 Y560 | T450-E452 PolarHBondContact O-N 3.23Å; E452-L454 PolarHBondContact O-N 3.49Å; E452-T455 PolarHBondContact O-N 2.93Å; E452-R456 HydrophobicContact CG-CG 4.05Å; E452-R456 WeakPolarHBondContact O-CG 3.23Å; E452-R456 PolarHBondContact O-N 2.75Å; E452-R456 IonicContact OE1-CZ 2.7Å; E452-R456 IonicContact OE1-NE 3.81Å; E452-R456 PolarHBondContact OE1-NE 2.99Å; E452-R456 IonicContact OE1-NH2 3.2Å; E452-R456 PolarHBondContact OE1-NH2 2.87Å; E452-R456 IonicContact OE2-NH2 2.93Å; E452-Y560 HydrophobicContact CG-CD1 4.19Å; E452-Y560 HydrophobicContact CG-CE1 4.3Å; E452-Y560 HydrophobicContact CG-CG 4.5Å |
| 453 | P | 88.2 | Confident | 88.7 | Confident | 48 Ų | 48 | 27.5 Ų | 27.5 | 31% | 0.312 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -58.7 | -45.9 | -179.4 | -26.8 | 36.6 | 0 | 0 | 0 | 113.3 | Y451 T455 R456 D457 | Y451-P453 HydrophobicContact CD1-CB 4.42Å; Y451-P453 HydrophobicContact CD1-CG 4.42Å; Y451-P453 HydrophobicContact CE1-CB 3.83Å; Y451-P453 HydrophobicContact CE1-CG 3.82Å; Y451-P453 HydrophobicContact CE2-CG 4.19Å; P453-T455 PolarHBondContact O-N 2.93Å; P453-R456 PolarHBondContact O-N 3.43Å; P453-D457 PolarHBondContact O-N 2.8Å |
| 454 | L | 91 | Very high | 88.7 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.8 | -43.4 | 176.2 | 175.2 | 58.5 | 0 | 0 | 0 | 111.3 | L421 C424 A425 V428 L440 A448 Y451 E452 D457 I458 | L421-L454 HydrophobicContact CD2-CD2 3.95Å; C424-L454 HydrophobicContact CB-CD1 4.12Å; C424-L454 HydrophobicContact CB-CD2 4.25Å; A425-L454 HydrophobicContact CB-CB 4.45Å; A425-L454 HydrophobicContact CB-CD1 4.05Å; V428-L454 HydrophobicContact CG2-CD1 4.25Å; L440-L454 HydrophobicContact CD2-CD2 4.23Å; A448-L454 HydrophobicContact CB-CD2 4.38Å; Y451-L454 HydrophobicContact CD1-CB 3.82Å; Y451-L454 PolarHBondContact O-N 3.4Å; E452-L454 PolarHBondContact O-N 3.49Å; L454-D457 PolarHBondContact O-N 3.39Å; L454-I458 HydrophobicContact CD1-CD1 3.99Å; L454-I458 HydrophobicContact CD1-CG1 4.29Å; L454-I458 HydrophobicContact CG-CD1 4.05Å; L454-I458 VanDerWaalsContact O-CG1 3.32Å; L454-I458 WeakPolarHBondContact O-CG1 3.37Å; L454-I458 PolarHBondContact O-N 3.29Å |
| 455 | T | 91.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.6 | -40.4 | 176.5 | -73.3 | 0 | 0 | 0 | 0 | 112.4 | T449 Y451 E452 P453 D457 I458 C459 L554 H557 Y560 | T449-T455 VanDerWaalsContact CA-OG1 3.24Å; T449-T455 WeakPolarHBondContact CA-OG1 3.19Å; T449-T455 WeakPolarHBondContact CB-OG1 3.48Å; T449-T455 PolarHBondContact O-OG1 3.42Å; Y451-T455 PolarHBondContact O-N 2.93Å; E452-T455 PolarHBondContact O-N 2.93Å; P453-T455 PolarHBondContact O-N 2.93Å; T455-D457 PolarHBondContact O-N 3.04Å; T455-I458 PolarHBondContact O-N 3.47Å; T455-C459 WeakPolarHBondContact O-CB 3.44Å; T455-C459 PolarHBondContact O-N 3.43Å; T455-C459 PolarHBondContact O-SG 3.33Å; T455-C459 VanDerWaalsContact O-SG 3.33Å; T455-L554 HydrophobicContact CG2-CD2 3.85Å; T455-H557 HydrophobicContact CG2-CB 4.29Å; T455-Y560 HydrophobicContact CG2-CD2 3.76Å; T455-Y560 HydrophobicContact CG2-CG 4.48Å |
| 456 | R | 91 | Very high | 89.2 | Confident | 112 Ų | 112 | 23.9 Ų | 23.9 | 42% | 0.423 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -61.5 | -42 | 173.4 | -73.4 | -178.9 | 178.6 | -155.8 | 7.8 | 111.6 | E452 P453 C459 N460 | E452-R456 HydrophobicContact CG-CG 4.05Å; E452-R456 WeakPolarHBondContact O-CG 3.23Å; E452-R456 PolarHBondContact O-N 2.75Å; E452-R456 IonicContact OE1-CZ 2.7Å; E452-R456 IonicContact OE1-NE 3.81Å; E452-R456 PolarHBondContact OE1-NE 2.99Å; E452-R456 IonicContact OE1-NH2 3.2Å; E452-R456 PolarHBondContact OE1-NH2 2.87Å; E452-R456 IonicContact OE2-NH2 2.93Å; P453-R456 PolarHBondContact O-N 3.43Å; R456-C459 PolarHBondContact O-N 2.9Å; R456-N460 WeakPolarHBondContact O-CB 3.48Å; R456-N460 VanDerWaalsContact O-CG 3.28Å; R456-N460 PolarHBondContact O-N 3.32Å; R456-N460 PolarHBondContact O-ND2 2.98Å; R456-N460 VanDerWaalsContact O-ND2 3.15Å |
| 457 | D | 90 | Very high | 89.3 | Confident | 23 Ų | 23 | 23 Ų | 23 | 12% | 0.123 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.4 | -40.7 | 175.9 | -77.5 | -42.8 | 0 | 0 | 0 | 112.7 | V428 R429 P453 L454 T455 N460 L461 | V428-D457 HydrophobicContact CB-CB 4.46Å; V428-D457 HydrophobicContact CG1-CB 3.94Å; R429-D457 WeakPolarHBondContact CG-OD1 3.49Å; R429-D457 IonicContact CZ-OD2 2.66Å; R429-D457 IonicContact NE-OD1 2.72Å; R429-D457 PolarHBondContact NE-OD1 3.43Å; R429-D457 IonicContact NE-OD2 3.58Å; R429-D457 PolarHBondContact NE-OD2 3.37Å; R429-D457 IonicContact NH2-OD2 2.64Å; R429-D457 PolarHBondContact NH2-OD2 2.86Å; P453-D457 PolarHBondContact O-N 2.8Å; L454-D457 PolarHBondContact O-N 3.39Å; T455-D457 PolarHBondContact O-N 3.04Å; D457-N460 WeakPolarHBondContact O-CB 3.45Å; D457-N460 PolarHBondContact O-N 3.27Å; D457-L461 PolarHBondContact O-N 3.12Å |
| 458 | I | 91.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.3 | -40.6 | 174.7 | -64.6 | 168.2 | 0 | 0 | 0 | 110.9 | V428 W433 L440 T449 L454 T455 N460 L461 L462 I550 L554 | V428-I458 HydrophobicContact CG1-CG1 4.08Å; V428-I458 HydrophobicContact CG2-CG1 4.02Å; W433-I458 HydrophobicContact CZ3-CD1 4.41Å; W433-I458 HydrophobicContact CZ3-CG1 4.26Å; W433-I458 HydrophobicContact CZ3-CG2 4.39Å; L440-I458 HydrophobicContact CD1-CD1 4.39Å; T449-I458 HydrophobicContact CG2-CD1 4.27Å; L454-I458 HydrophobicContact CD1-CD1 3.99Å; L454-I458 HydrophobicContact CD1-CG1 4.29Å; L454-I458 HydrophobicContact CG-CD1 4.05Å; L454-I458 VanDerWaalsContact O-CG1 3.32Å; L454-I458 WeakPolarHBondContact O-CG1 3.37Å; L454-I458 PolarHBondContact O-N 3.29Å; T455-I458 PolarHBondContact O-N 3.47Å; I458-N460 VanDerWaalsContact C-N 3.34Å; I458-N460 PolarHBondContact O-N 3.46Å; I458-L461 PolarHBondContact O-N 3.01Å; I458-L462 HydrophobicContact CG2-CD1 4.09Å; I458-L462 HydrophobicContact CG2-CG 4.5Å; I458-L462 WeakPolarHBondContact O-CB 3.39Å; I458-L462 WeakPolarHBondContact O-CG 3.36Å; I458-L462 PolarHBondContact O-N 2.81Å; I458-I550 HydrophobicContact CG2-CG2 4.41Å; I458-L554 HydrophobicContact CB-CD2 3.96Å; I458-L554 HydrophobicContact CD1-CD2 4.33Å; I458-L554 HydrophobicContact CG2-CD1 4.14Å; I458-L554 HydrophobicContact CG2-CD2 3.69Å; I458-L554 HydrophobicContact CG2-CG 3.88Å |
| 459 | C | 92.2 | Very high | 89.3 | Confident | 3 Ų | 3 | 24.8 Ų | 24.8 | 2% | 0.02 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.3 | -39.3 | 173.6 | -73.2 | 0 | 0 | 0 | 0 | 112.3 | T455 R456 L462 H463 D561 L564 | T455-C459 WeakPolarHBondContact O-CB 3.44Å; T455-C459 PolarHBondContact O-N 3.43Å; T455-C459 PolarHBondContact O-SG 3.33Å; T455-C459 VanDerWaalsContact O-SG 3.33Å; R456-C459 PolarHBondContact O-N 2.9Å; C459-L462 PolarHBondContact O-N 2.6Å; C459-H463 WeakPolarHBondContact O-CB 3.34Å; C459-H463 PolarHBondContact O-N 3.17Å; C459-D561 HydrophobicContact CB-CB 3.99Å; C459-L564 HydrophobicContact CB-CD2 3.98Å |
| 460 | N | 89.5 | Confident | 89.4 | Confident | 78 Ų | 78 | 25.8 Ų | 25.8 | 42% | 0.417 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -63.6 | -42.3 | 174.1 | -75.6 | -36.8 | 0 | 0 | 0 | 112.2 | R456 D457 I458 H463 C464 F492 | R456-N460 WeakPolarHBondContact O-CB 3.48Å; R456-N460 VanDerWaalsContact O-CG 3.28Å; R456-N460 PolarHBondContact O-N 3.32Å; R456-N460 PolarHBondContact O-ND2 2.98Å; R456-N460 VanDerWaalsContact O-ND2 3.15Å; D457-N460 WeakPolarHBondContact O-CB 3.45Å; D457-N460 PolarHBondContact O-N 3.27Å; I458-N460 VanDerWaalsContact C-N 3.34Å; I458-N460 PolarHBondContact O-N 3.46Å; N460-H463 WeakPolarHBondContact O-CB 3.24Å; N460-H463 PolarHBondContact O-N 3.45Å; N460-C464 PolarHBondContact O-N 2.91Å; N460-C464 VanDerWaalsContact O-N 3.14Å; N460-C464 PolarHBondContact O-SG 2.91Å; N460-F492 HydrophobicContact CB-CE2 4.39Å; N460-F492 HydrophobicContact CB-CZ 4.31Å |
| 461 | L | 89 | Confident | 89.4 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.3 | -51.3 | 173.9 | 175.3 | 61.7 | 0 | 0 | 0 | 110.7 | V428 W433 D457 I458 H463 C464 L465 F492 L534 | V428-L461 HydrophobicContact CG1-CB 4.23Å; V428-L461 HydrophobicContact CG1-CD2 4.18Å; W433-L461 HydrophobicContact CE3-CD2 4Å; D457-L461 PolarHBondContact O-N 3.12Å; I458-L461 PolarHBondContact O-N 3.01Å; L461-H463 VanDerWaalsContact C-N 3.28Å; L461-H463 PolarHBondContact O-N 2.9Å; L461-C464 PolarHBondContact O-N 3.44Å; L461-C464 VanDerWaalsContact O-N 3.08Å; L461-L465 HydrophobicContact CD1-CD1 4.12Å; L461-L465 HydrophobicContact CD1-CG 4.21Å; L461-L465 HydrophobicContact CG-CD1 4.04Å; L461-L465 WeakPolarHBondContact O-CG 3.46Å; L461-L465 PolarHBondContact O-N 2.81Å; L461-F492 HydrophobicContact CB-CE1 4.21Å; L461-F492 HydrophobicContact CB-CZ 4.01Å; L461-F492 HydrophobicContact CD1-CE1 4.05Å; L461-F492 HydrophobicContact CD1-CZ 4.45Å; L461-L534 HydrophobicContact CD2-CD1 4.33Å |
| 462 | L | 91.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.9 | -40.3 | 177.2 | -73.3 | 170.5 | 0 | 0 | 0 | 112.2 | I458 C459 C464 L465 I466 V547 I550 A551 L554 M558 L564 F568 | I458-L462 HydrophobicContact CG2-CD1 4.09Å; I458-L462 HydrophobicContact CG2-CG 4.5Å; I458-L462 WeakPolarHBondContact O-CB 3.39Å; I458-L462 WeakPolarHBondContact O-CG 3.36Å; I458-L462 PolarHBondContact O-N 2.81Å; C459-L462 PolarHBondContact O-N 2.6Å; L462-C464 PolarHBondContact O-N 3.36Å; L462-L465 PolarHBondContact O-N 3.44Å; L462-I466 WeakPolarHBondContact O-CG1 3.29Å; L462-I466 PolarHBondContact O-N 3.03Å; L462-I466 VanDerWaalsContact O-N 3.08Å; L462-V547 HydrophobicContact CD2-CG1 3.61Å; L462-I550 HydrophobicContact CD1-CG2 4.45Å; L462-I550 HydrophobicContact CD2-CB 3.86Å; L462-I550 HydrophobicContact CD2-CG2 3.57Å; L462-I550 HydrophobicContact CG-CG2 4Å; L462-A551 HydrophobicContact CD1-CB 4.08Å; L462-A551 HydrophobicContact CD2-CB 4.25Å; L462-L554 HydrophobicContact CD1-CD1 3.64Å; L462-M558 HydrophobicContact CD1-CE 4.32Å; L462-L564 HydrophobicContact CB-CD1 4.06Å; L462-L564 HydrophobicContact CB-CD2 3.88Å; L462-L564 HydrophobicContact CD1-CD2 3.84Å; L462-F568 HydrophobicContact CD2-CZ 4.48Å |
| 463 | H | 90.4 | Very high | 89.3 | Confident | 24 Ų | 24 | 30.4 Ų | 30.4 | 11% | 0.111 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -54.8 | -47.7 | 172.9 | -104.3 | 50.5 | 0 | 0 | 0 | 112.2 | C459 N460 L461 E467 D561 K567 | C459-H463 WeakPolarHBondContact O-CB 3.34Å; C459-H463 PolarHBondContact O-N 3.17Å; N460-H463 WeakPolarHBondContact O-CB 3.24Å; N460-H463 PolarHBondContact O-N 3.45Å; L461-H463 VanDerWaalsContact C-N 3.28Å; L461-H463 PolarHBondContact O-N 2.9Å; H463-E467 WeakPolarHBondContact O-CB 3.26Å; H463-E467 PolarHBondContact O-N 3.44Å; H463-D561 IonicContact CE1-OD1 2.79Å; H463-D561 IonicContact CE1-OD2 2.86Å; H463-D561 PolarHBondContact CE1-OD2 3Å; H463-D561 IonicContact ND1-OD2 2.91Å; H463-D561 PolarHBondContact ND1-OD2 2.84Å; H463-D561 IonicContact NE2-OD2 3.9Å; H463-K567 PolarHBondContact CD2-NZ 3.45Å; H463-K567 PolarHBondContact CE1-NZ 3.05Å; H463-K567 PolarHBondContact NE2-NZ 3.47Å |
| 464 | C | 86.5 | Confident | 89.1 | Confident | 24 Ų | 24 | 29.3 Ų | 29.3 | 16% | 0.162 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.8 | -39.5 | 179.8 | -62.9 | 0 | 0 | 0 | 0 | 112 | N460 L461 L462 | N460-C464 PolarHBondContact O-N 2.91Å; N460-C464 VanDerWaalsContact O-N 3.14Å; N460-C464 PolarHBondContact O-SG 2.91Å; L461-C464 PolarHBondContact O-N 3.44Å; L461-C464 VanDerWaalsContact O-N 3.08Å; L462-C464 PolarHBondContact O-N 3.36Å |
| 465 | L | 88.8 | Confident | 88.5 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.8 | -37.1 | -178.5 | -63.9 | 174.3 | 0 | 0 | 0 | 113.2 | L461 L462 L534 V537 V547 I550 | L461-L465 HydrophobicContact CD1-CD1 4.12Å; L461-L465 HydrophobicContact CD1-CG 4.21Å; L461-L465 HydrophobicContact CG-CD1 4.04Å; L461-L465 WeakPolarHBondContact O-CG 3.46Å; L461-L465 PolarHBondContact O-N 2.81Å; L462-L465 PolarHBondContact O-N 3.44Å; L465-L534 HydrophobicContact CD1-CD1 4.15Å; L465-L534 HydrophobicContact CD2-CB 3.83Å; L465-L534 WeakPolarHBondContact CD2-O 3.38Å; L465-V537 PolarHBondContact O-N 3.39Å; L465-V547 HydrophobicContact CB-CG2 3.95Å; L465-V547 HydrophobicContact CD1-CG2 4.38Å; L465-I550 HydrophobicContact CD1-CD1 3.86Å |
| 466 | I | 90.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -86.2 | -13.2 | 179.3 | 70 | -172.5 | 0 | 0 | 0 | 114.2 | L462 L469 Y470 L543 V547 L564 K567 F568 L571 | L462-I466 WeakPolarHBondContact O-CG1 3.29Å; L462-I466 PolarHBondContact O-N 3.03Å; L462-I466 VanDerWaalsContact O-N 3.08Å; I466-L469 PolarHBondContact O-N 3.15Å; I466-Y470 VanDerWaalsContact O-CB 3.32Å; I466-Y470 WeakPolarHBondContact O-CB 3.49Å; I466-Y470 PolarHBondContact O-N 3.45Å; I466-L543 HydrophobicContact CG2-CD1 3.66Å; I466-V547 HydrophobicContact CG2-CG1 3.64Å; I466-L564 HydrophobicContact CD1-CD1 3.59Å; I466-K567 HydrophobicContact CD1-CB 3.76Å; I466-K567 HydrophobicContact CD1-CD 3.86Å; I466-K567 HydrophobicContact CD1-CG 4.43Å; I466-K567 HydrophobicContact CG1-CD 4.45Å; I466-F568 HydrophobicContact CG2-CE1 4.08Å; I466-F568 HydrophobicContact CG2-CZ 4.23Å; I466-L571 HydrophobicContact CB-CD1 4.35Å |
| 467 | E | 86.6 | Confident | 86.5 | Confident | 30 Ų | 30 | 34.9 Ų | 34.9 | 14% | 0.14 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.1 | -46.1 | -169.5 | 176 | 152.7 | -161.2 | 0 | 0 | 113.7 | H463 L469 Y470 N471 R484 P487 | H463-E467 WeakPolarHBondContact O-CB 3.26Å; H463-E467 PolarHBondContact O-N 3.44Å; E467-L469 PolarHBondContact O-N 3.13Å; E467-Y470 PolarHBondContact O-N 2.78Å; E467-N471 WeakPolarHBondContact CG-ND2 3.45Å; E467-N471 VanDerWaalsContact O-CB 3.3Å; E467-N471 WeakPolarHBondContact O-CB 3.42Å; E467-N471 PolarHBondContact O-N 2.95Å; E467-N471 PolarHBondContact O-ND2 2.27Å; E467-N471 PolarHBondContact O-OD1 3.16Å; E467-N471 PolarHBondContact OE1-ND2 3.48Å; E467-N471 VanDerWaalsContact OE1-ND2 3.15Å; E467-R484 IonicContact OE1-CZ 2.76Å; E467-R484 IonicContact OE1-NH1 2.71Å; E467-R484 PolarHBondContact OE1-NH1 3.42Å; E467-R484 IonicContact OE1-NH2 3.1Å; E467-P487 WeakPolarHBondContact OE2-CD 3.43Å; E467-P487 WeakPolarHBondContact OE2-CG 3.29Å |
| 468 | P | 87.1 | Confident | 85.2 | Confident | 37 Ų | 37 | 37.4 Ų | 37.4 | 24% | 0.24 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.4 | -42.3 | -179.6 | -22.3 | 34.5 | 0 | 0 | 0 | 113.1 | N471 K472 P536 | P468-N471 PolarHBondContact O-N 2.76Å; P468-K472 VanDerWaalsContact O-CB 3.26Å; P468-K472 WeakPolarHBondContact O-CB 3.38Å; P468-K472 PolarHBondContact O-N 3.29Å; P468-P536 HydrophobicContact CG-CB 3.64Å |
| 469 | L | 89.6 | Confident | 84.1 | Confident | 4 Ų | 4 | 42.3 Ų | 42.3 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 174 | -179.7 | 64.3 | 0 | 0 | 0 | 111.7 | I466 E467 N471 K472 A473 V537 F540 L543 L571 | I466-L469 PolarHBondContact O-N 3.15Å; E467-L469 PolarHBondContact O-N 3.13Å; L469-N471 VanDerWaalsContact C-N 3.35Å; L469-N471 PolarHBondContact O-N 3.18Å; L469-K472 PolarHBondContact O-N 3.05Å; L469-A473 VanDerWaalsContact O-CB 3.29Å; L469-A473 WeakPolarHBondContact O-CB 3.43Å; L469-A473 PolarHBondContact O-N 3.31Å; L469-V537 WeakPolarHBondContact CB-O 3.47Å; L469-V537 HydrophobicContact CD2-CG1 4.26Å; L469-V537 PolarHBondContact N-O 3.16Å; L469-F540 HydrophobicContact CD2-CD1 4.1Å; L469-F540 HydrophobicContact CD2-CE1 4.3Å; L469-L543 HydrophobicContact CD2-CB 4.01Å; L469-L543 HydrophobicContact CD2-CD1 4.09Å; L469-L543 HydrophobicContact CD2-CD2 3.89Å; L469-L543 HydrophobicContact CD2-CG 4.21Å; L469-L571 HydrophobicContact CD2-CD1 4.44Å; L469-L571 HydrophobicContact CD2-CD2 4.11Å; L469-L571 HydrophobicContact CG-CD2 3.88Å |
| 470 | Y | 89.8 | Confident | 82.8 | Confident | 24 Ų | 24 | 46.8 Ų | 46.8 | 9% | 0.094 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.9 | -39.4 | 177.8 | -176.1 | -96.9 | 0 | 0 | 0 | 111.7 | I466 E467 K472 C474 K567 R570 L571 | I466-Y470 VanDerWaalsContact O-CB 3.32Å; I466-Y470 WeakPolarHBondContact O-CB 3.49Å; I466-Y470 PolarHBondContact O-N 3.45Å; E467-Y470 PolarHBondContact O-N 2.78Å; Y470-K472 VanDerWaalsContact C-N 3.33Å; Y470-K472 PolarHBondContact O-N 2.92Å; Y470-C474 HydrophobicContact CD1-CB 4.48Å; Y470-C474 HydrophobicContact CD2-CB 3.98Å; Y470-C474 HydrophobicContact CE1-CB 4.22Å; Y470-C474 HydrophobicContact CE2-CB 3.67Å; Y470-C474 HydrophobicContact CG-CB 4.37Å; Y470-C474 CarbonylContact O-C 3.55Å; Y470-C474 WeakPolarHBondContact O-CA 3.24Å; Y470-C474 VanDerWaalsContact O-CB 3.27Å; Y470-C474 WeakPolarHBondContact O-CB 3.46Å; Y470-C474 PolarHBondContact O-N 3.46Å; Y470-K567 HydrophobicContact CD1-CG 4.46Å; Y470-K567 HydrophobicContact CD2-CB 4.03Å; Y470-K567 HydrophobicContact CD2-CG 4.01Å; Y470-K567 HydrophobicContact CE1-CG 4.3Å; Y470-K567 HydrophobicContact CE2-CB 4.05Å; Y470-K567 HydrophobicContact CE2-CG 3.85Å; Y470-K567 HydrophobicContact CG-CG 4.33Å; Y470-R570 HydrophobicContact CE2-CB 4.33Å; Y470-R570 PolarHBondContact OH-NH1 3.08Å; Y470-L571 HydrophobicContact CD2-CD2 4.48Å; Y470-L571 HydrophobicContact CD2-CG 4.2Å |
| 471 | N | 86.9 | Confident | 81.5 | Confident | 60 Ų | 60 | 48.3 Ų | 48.3 | 32% | 0.321 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67.5 | -34.7 | 177 | -65.9 | -7.7 | 0 | 0 | 0 | 112 | E467 P468 L469 R484 | E467-N471 WeakPolarHBondContact CG-ND2 3.45Å; E467-N471 VanDerWaalsContact O-CB 3.3Å; E467-N471 WeakPolarHBondContact O-CB 3.42Å; E467-N471 PolarHBondContact O-N 2.95Å; E467-N471 PolarHBondContact O-ND2 2.27Å; E467-N471 PolarHBondContact O-OD1 3.16Å; E467-N471 PolarHBondContact OE1-ND2 3.48Å; E467-N471 VanDerWaalsContact OE1-ND2 3.15Å; P468-N471 PolarHBondContact O-N 2.76Å; L469-N471 VanDerWaalsContact C-N 3.35Å; L469-N471 PolarHBondContact O-N 3.18Å; N471-R484 PolarHBondContact ND2-NH1 3.39Å; N471-R484 PolarHBondContact OD1-NH1 2.98Å; N471-R484 PolarHBondContact OD1-NH2 2.87Å |
| 472 | K | 86.5 | Confident | 79.7 | Confident | 144 Ų | 144 | 59.2 Ų | 59.2 | 63% | 0.626 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -74.9 | -41.4 | 177.5 | 176.6 | -179.5 | 170.7 | -174.4 | 0 | 113.1 | P468 L469 Y470 H538 | P468-K472 VanDerWaalsContact O-CB 3.26Å; P468-K472 WeakPolarHBondContact O-CB 3.38Å; P468-K472 PolarHBondContact O-N 3.29Å; L469-K472 PolarHBondContact O-N 3.05Å; Y470-K472 VanDerWaalsContact C-N 3.33Å; Y470-K472 PolarHBondContact O-N 2.92Å; K472-H538 PolarHBondContact NZ-O 3.02Å |
| 473 | A | 86.4 | Confident | 77.9 | Confident | 27 Ų | 27 | 66.1 Ų | 66.1 | 22% | 0.223 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -89.5 | -36.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L469 P475 F540 L571 I574 | L469-A473 VanDerWaalsContact O-CB 3.29Å; L469-A473 WeakPolarHBondContact O-CB 3.43Å; L469-A473 PolarHBondContact O-N 3.31Å; A473-P475 WeakPolarHBondContact O-CD 3.35Å; A473-F540 HydrophobicContact CB-CZ 4.37Å; A473-L571 HydrophobicContact CB-CD2 3.99Å; A473-I574 HydrophobicContact CB-CD1 3.93Å; A473-I574 WeakPolarHBondContact O-CD1 3.31Å |
| 474 | C | 84.9 | Confident | 76.1 | Confident | 24 Ų | 24 | 69.3 Ų | 69.3 | 16% | 0.162 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -114.6 | 59.1 | -178.8 | -59.4 | 0 | 0 | 0 | 0 | 111.6 | Y470 L476 I574 | Y470-C474 HydrophobicContact CD1-CB 4.48Å; Y470-C474 HydrophobicContact CD2-CB 3.98Å; Y470-C474 HydrophobicContact CE1-CB 4.22Å; Y470-C474 HydrophobicContact CE2-CB 3.67Å; Y470-C474 HydrophobicContact CG-CB 4.37Å; Y470-C474 CarbonylContact O-C 3.55Å; Y470-C474 WeakPolarHBondContact O-CA 3.24Å; Y470-C474 VanDerWaalsContact O-CB 3.27Å; Y470-C474 WeakPolarHBondContact O-CB 3.46Å; Y470-C474 PolarHBondContact O-N 3.46Å; C474-L476 PolarHBondContact O-N 3.16Å; C474-I574 VanDerWaalsContact SG-CD1 3.55Å |
| 475 | P | 77.6 | Confident | 74.5 | Confident | 88 Ų | 88 | 73.3 Ų | 73.3 | 57% | 0.571 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 130.1 | -178.3 | 27.7 | -35 | 0 | 0 | 0 | 111 | A473 | A473-P475 WeakPolarHBondContact O-CD 3.35Š|
| 476 | L | 69.3 | Low | 72.7 | Confident | 61 Ų | 61 | 82.7 Ų | 82.7 | 32% | 0.319 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 144.2 | 171.6 | -72.3 | 172.9 | 0 | 0 | 0 | 110.2 | C474 A478 L480 Q481 R484 | C474-L476 PolarHBondContact O-N 3.16Å; L476-A478 PolarHBondContact O-N 3.33Å; L476-L480 HydrophobicContact CB-CB 4.4Å; L476-Q481 HydrophobicContact CB-CG 4.1Å; L476-Q481 PolarHBondContact O-NE2 3.36Å; L476-R484 HydrophobicContact CD1-CG 4.49Å |
| 477 | P | 70.6 | Confident | 70.6 | Confident | 80 Ų | 80 | 85.2 Ų | 85.2 | 52% | 0.519 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -51.1 | 140.3 | 167.9 | -27 | 35 | 0 | 0 | 0 | 111.5 | C479 L480 Q481 | P477-C479 PolarHBondContact O-N 3.33Å; P477-L480 PolarHBondContact O-N 3.26Å; P477-Q481 PolarHBondContact O-N 2.84Å |
| 478 | A | 63.2 | Low | 68.7 | Low | 76 Ų | 76 | 93.3 Ų | 93.3 | 63% | 0.628 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -28.7 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L476 L480 | L476-A478 PolarHBondContact O-N 3.33Å; A478-L480 VanDerWaalsContact C-N 3.31Å; A478-L480 PolarHBondContact O-N 2.92Å |
| 479 | C | 67.9 | Low | 66.8 | Low | 104 Ų | 104 | 94.4 Ų | 94.4 | 70% | 0.703 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -27.7 | 174.6 | 53.5 | 0 | 0 | 0 | 0 | 114.3 | P477 | P477-C479 PolarHBondContact O-N 3.33Š|
| 480 | L | 65.5 | Low | 64.8 | Low | 97 Ų | 97 | 100.1 Ų | 100.1 | 51% | 0.508 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -17.1 | -179.7 | -62.8 | -179.9 | 0 | 0 | 0 | 113.3 | L476 P477 A478 R482 N483 | L476-L480 HydrophobicContact CB-CB 4.4Å; P477-L480 PolarHBondContact O-N 3.26Å; A478-L480 VanDerWaalsContact C-N 3.31Å; A478-L480 PolarHBondContact O-N 2.92Å; L480-R482 PolarHBondContact O-N 3.36Å; L480-N483 PolarHBondContact O-N 3.04Å |
| 481 | Q | 61.6 | Low | 62.8 | Low | 109 Ų | 109 | 102 Ų | 102 | 51% | 0.509 | 53% | 0.525 | S | S | . | . | G | 310 helix | trans | -62.2 | -27.6 | -177.8 | -66.5 | -179.6 | 2.6 | 0 | 0 | 113.2 | L476 P477 | L476-Q481 HydrophobicContact CB-CG 4.1Å; L476-Q481 PolarHBondContact O-NE2 3.36Å; P477-Q481 PolarHBondContact O-N 2.84Å |
| 482 | R | 52.6 | Low | 61.1 | Low | 230 Ų | 230 | 99.4 Ų | 99.4 | 87% | 0.868 | 51% | 0.51 | S | S | * | . | G | 310 helix | trans | -71.2 | -26 | -178 | -71.9 | -177.4 | 173 | 166.8 | -2.4 | 115 | L480 | L480-R482 PolarHBondContact O-N 3.36Š|
| 483 | N | 53.5 | Low | 59.3 | Low | 145 Ų | 145 | 100.1 Ų | 100.1 | 78% | 0.775 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -102.1 | 21.5 | -173.9 | -67.6 | 11.2 | 0 | 0 | 0 | 112.4 | L480 S485 | L480-N483 PolarHBondContact O-N 3.04Å; N483-S485 PolarHBondContact O-N 2.86Å |
| 484 | R | 52.2 | Low | 57.4 | Low | 90 Ų | 90 | 100.1 Ų | 100.1 | 34% | 0.34 | 51% | 0.514 | S | S | . | . | trans | -86.6 | 92.7 | -170.9 | -158.7 | 174.4 | -159.9 | -98.8 | 8.1 | 110.6 | E467 N471 L476 R486 | E467-R484 IonicContact OE1-CZ 2.76Å; E467-R484 IonicContact OE1-NH1 2.71Å; E467-R484 PolarHBondContact OE1-NH1 3.42Å; E467-R484 IonicContact OE1-NH2 3.1Å; N471-R484 PolarHBondContact ND2-NH1 3.39Å; N471-R484 PolarHBondContact OD1-NH1 2.98Å; N471-R484 PolarHBondContact OD1-NH2 2.87Å; L476-R484 HydrophobicContact CD1-CG 4.49Å; R484-R486 PolarHBondContact O-N 2.95Å; R484-R486 VanDerWaalsContact O-N 3.11Å | ||
| 485 | S | 52.5 | Low | 55.3 | Low | 109 Ų | 109 | 100.2 Ų | 100.2 | 76% | 0.762 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -54.3 | 117.5 | 160.2 | 42 | 0 | 0 | 0 | 0 | 108.5 | N483 | N483-S485 PolarHBondContact O-N 2.86Š|
| 486 | R | 50.8 | Low | 53.4 | Low | 197 Ų | 197 | 98.2 Ų | 98.2 | 74% | 0.743 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 144 | 165.6 | -61.3 | -175.9 | -175 | -169.4 | 2.6 | 107.2 | R484 | R484-R486 PolarHBondContact O-N 2.95Å; R484-R486 VanDerWaalsContact O-N 3.11Å |
| 487 | P | 48.2 | Very low | 52 | Low | 53 Ų | 53 | 100.9 Ų | 100.9 | 34% | 0.344 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 144.9 | 166.5 | 26.6 | -33.6 | 0 | 0 | 0 | 108.6 | E467 I489 | E467-P487 WeakPolarHBondContact OE2-CD 3.43Å; E467-P487 WeakPolarHBondContact OE2-CG 3.29Å; P487-I489 WeakPolarHBondContact O-CG1 3.32Å; P487-I489 PolarHBondContact O-N 3.38Å |
| 488 | R | 45.6 | Very low | 50.3 | Low | 200 Ų | 200 | 107 Ų | 107 | 76% | 0.755 | 53% | 0.53 | S | S | * | . | trans | -66.9 | 98.9 | 179 | -81.2 | 179.3 | 171.8 | -158.7 | 6.7 | 109.5 | E490 | R488-E490 HydrophobicContact CB-CG 4.26Å; R488-E490 WeakPolarHBondContact CD-OE2 3.37Å; R488-E490 IonicContact NE-OE2 3.18Å; R488-E490 IonicContact NH1-OE2 2.79Å; R488-E490 PolarHBondContact O-N 3.45Å | ||
| 489 | I | 48.2 | Very low | 49 | Very low | 60 Ų | 60 | 107.3 Ų | 107.3 | 31% | 0.308 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | 28.7 | 178 | -29.6 | -178 | 0 | 0 | 0 | 111.3 | P487 N496 | P487-I489 WeakPolarHBondContact O-CG1 3.32Å; P487-I489 PolarHBondContact O-N 3.38Å; I489-N496 WeakPolarHBondContact CG2-OD1 3.28Å; I489-N496 PolarHBondContact O-ND2 3.24Å |
| 490 | E | 46.3 | Very low | 47.2 | Very low | 125 Ų | 125 | 109.1 Ų | 109.1 | 58% | 0.584 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -25.6 | -173.2 | -65.9 | 171 | 167.9 | 0 | 0 | 111.8 | R488 | R488-E490 HydrophobicContact CB-CG 4.26Å; R488-E490 WeakPolarHBondContact CD-OE2 3.37Å; R488-E490 IonicContact NE-OE2 3.18Å; R488-E490 IonicContact NH1-OE2 2.79Å; R488-E490 PolarHBondContact O-N 3.45Å |
| 491 | S | 47.6 | Very low | 45.4 | Very low | 64 Ų | 64 | 111.1 Ų | 111.1 | 45% | 0.448 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -71.2 | -46.3 | 178.5 | 46.9 | 0 | 0 | 0 | 0 | 112.8 | K493 | S491-K493 VanDerWaalsContact C-N 3.33Å; S491-K493 PolarHBondContact O-N 2.98Å |
| 492 | F | 53.1 | Low | 43.9 | Very low | 4 Ų | 4 | 113.7 Ų | 113.7 | 2% | 0.018 | 55% | 0.549 | C | S | . | . | trans | -87 | 58.9 | -172 | -58.7 | -75.9 | 0 | 0 | 0 | 113.1 | V428 R429 N460 L461 A494 L495 | V428-F492 WeakPolarHBondContact O-CE1 3.39Å; R429-F492 VanDerWaalsContact O-CD1 3.3Å; R429-F492 WeakPolarHBondContact O-CD1 3.34Å; N460-F492 HydrophobicContact CB-CE2 4.39Å; N460-F492 HydrophobicContact CB-CZ 4.31Å; L461-F492 HydrophobicContact CB-CE1 4.21Å; L461-F492 HydrophobicContact CB-CZ 4.01Å; L461-F492 HydrophobicContact CD1-CE1 4.05Å; L461-F492 HydrophobicContact CD1-CZ 4.45Å; F492-A494 PolarHBondContact O-N 3.06Å; F492-A494 VanDerWaalsContact O-N 3.09Å; F492-L495 HydrophobicContact CB-CB 4.13Å; F492-L495 HydrophobicContact CB-CD1 4.05Å; F492-L495 HydrophobicContact CG-CD1 4.36Å; F492-L495 WeakPolarHBondContact O-CB 3.46Å; F492-L495 PolarHBondContact O-N 3.37Å | ||
| 493 | K | 48.6 | Very low | 42.8 | Very low | 160 Ų | 160 | 106.4 Ų | 106.4 | 70% | 0.696 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -51.5 | -35.7 | -178.4 | -75.8 | -172.4 | 175.7 | -177.6 | 0 | 114 | S491 L495 N496 | S491-K493 VanDerWaalsContact C-N 3.33Å; S491-K493 PolarHBondContact O-N 2.98Å; K493-L495 VanDerWaalsContact C-N 3.28Å; K493-L495 PolarHBondContact O-N 2.86Å; K493-N496 PolarHBondContact O-N 3.09Å |
| 494 | A | 45.5 | Very low | 41.7 | Very low | 27 Ų | 27 | 106.7 Ų | 106.7 | 22% | 0.223 | 55% | 0.545 | C | S | . | . | H | α-helix | trans | -68.7 | -20.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | F492 | F492-A494 PolarHBondContact O-N 3.06Å; F492-A494 VanDerWaalsContact O-N 3.09Å |
| 495 | L | 41.8 | Very low | 40.7 | Very low | 25 Ų | 25 | 110 Ų | 110 | 13% | 0.131 | 57% | 0.57 | C | S | . | * | H | α-helix | trans | -85.4 | -34.9 | 177.3 | -98.7 | 158.7 | 0 | 0 | 0 | 112.6 | F492 K493 T497 Y498 I499 P536 | F492-L495 HydrophobicContact CB-CB 4.13Å; F492-L495 HydrophobicContact CB-CD1 4.05Å; F492-L495 HydrophobicContact CG-CD1 4.36Å; F492-L495 WeakPolarHBondContact O-CB 3.46Å; F492-L495 PolarHBondContact O-N 3.37Å; K493-L495 VanDerWaalsContact C-N 3.28Å; K493-L495 PolarHBondContact O-N 2.86Å; L495-T497 VanDerWaalsContact C-N 3.26Å; L495-T497 PolarHBondContact O-N 3.08Å; L495-Y498 PolarHBondContact O-N 2.8Å; L495-I499 HydrophobicContact CD2-CD1 4.38Å; L495-P536 HydrophobicContact CD2-CG 4.3Å |
| 496 | N | 37.7 | Very low | 39.7 | Very low | 47 Ų | 47 | 113 Ų | 113 | 25% | 0.251 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.9 | -26.3 | -173.1 | -73.7 | -28.3 | 0 | 0 | 0 | 113.8 | I489 K493 Y498 I499 | I489-N496 WeakPolarHBondContact CG2-OD1 3.28Å; I489-N496 PolarHBondContact O-ND2 3.24Å; K493-N496 PolarHBondContact O-N 3.09Å; N496-Y498 PolarHBondContact O-N 2.98Å; N496-I499 PolarHBondContact O-N 3.4Å; N496-I499 VanDerWaalsContact O-N 3.11Å |
| 497 | T | 39.4 | Very low | 38.9 | Very low | 116 Ų | 116 | 112.4 Ų | 112.4 | 71% | 0.712 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -17.4 | -179.2 | -35.9 | 0 | 0 | 0 | 0 | 114.1 | L495 | L495-T497 VanDerWaalsContact C-N 3.26Å; L495-T497 PolarHBondContact O-N 3.08Å |
| 498 | Y | 33.7 | Very low | 38 | Very low | 208 Ų | 208 | 115.3 Ų | 115.3 | 82% | 0.816 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.7 | -3.9 | 178.4 | -94.8 | -87 | 0 | 0 | 0 | 115.1 | L495 N496 | L495-Y498 PolarHBondContact O-N 2.8Å; N496-Y498 PolarHBondContact O-N 2.98Å |
| 499 | I | 36.9 | Very low | 37.2 | Very low | 83 Ų | 83 | 110.9 Ų | 110.9 | 43% | 0.426 | 60% | 0.596 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.4 | -12.5 | -168.7 | -65.5 | 174.6 | 0 | 0 | 0 | 112.9 | L495 N496 L501 P536 | L495-I499 HydrophobicContact CD2-CD1 4.38Å; N496-I499 PolarHBondContact O-N 3.4Å; N496-I499 VanDerWaalsContact O-N 3.11Å; I499-L501 PolarHBondContact O-N 2.98Å; I499-P536 HydrophobicContact CD1-CG 4.27Å |
| 500 | I | 30.2 | Very low | 36.4 | Very low | 143 Ų | 143 | 113.5 Ų | 113.5 | 73% | 0.733 | 61% | 0.614 | S | S | * | * | trans | -84.7 | 73.4 | -178.1 | -47.4 | -179.4 | 0 | 0 | 0 | 111.7 | ||||
| 501 | L | 28.3 | Very low | 35.6 | Very low | 138 Ų | 138 | 114.4 Ų | 114.4 | 72% | 0.723 | 62% | 0.623 | S | S | * | * | trans | -135.3 | 141.3 | 159.5 | -75.7 | 177.3 | 0 | 0 | 0 | 110.6 | I499 | I499-L501 PolarHBondContact O-N 2.98Š| ||
| 502 | D | 28.5 | Very low | 34.8 | Very low | 164 Ų | 164 | 116.3 Ų | 116.3 | 88% | 0.877 | 64% | 0.635 | S | S | * | * | S | Bend | trans | 55 | 102.3 | 173.6 | -59.9 | -11 | 0 | 0 | 0 | 118.3 | ||
| 503 | G | 29.5 | Very low | 33.7 | Very low | 76 Ų | 76 | 124.4 Ų | 124.4 | 78% | 0.784 | 67% | 0.673 | S | S | * | * | trans | 142.4 | 46.4 | 163.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 504 | I | 30.8 | Very low | 32.7 | Very low | 152 Ų | 152 | 123.8 Ų | 123.8 | 78% | 0.779 | 68% | 0.676 | S | S | * | * | trans | -82.1 | 124.2 | 170.5 | -60.8 | 177.4 | 0 | 0 | 0 | 109.4 | E506 | I504-E506 HydrophobicContact CG2-CG 4.08Š| ||
| 505 | D | 31.7 | Very low | 31.9 | Very low | 159 Ų | 159 | 130 Ų | 130 | 85% | 0.85 | 71% | 0.706 | S | S | * | * | trans | -148.6 | 73.1 | 162.3 | -148 | -4.1 | 0 | 0 | 0 | 108.1 | ||||
| 506 | E | 31.3 | Very low | 31.2 | Very low | 171 Ų | 171 | 137.6 Ų | 137.6 | 80% | 0.799 | 74% | 0.74 | S | S | * | * | trans | -75.7 | 129.4 | -176.4 | -73.2 | -179.7 | 142.4 | 0 | 0 | 112.3 | I504 | I504-E506 HydrophobicContact CG2-CG 4.08Š| ||
| 507 | K | 33.3 | Very low | 30.9 | Very low | 185 Ų | 185 | 141.1 Ų | 141.1 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -143.8 | 121 | 153.3 | -71.4 | -163.8 | 176.9 | 178.9 | 0 | 112.1 | ||||
| 508 | S | 30.8 | Very low | 30.5 | Very low | 115 Ų | 115 | 142.5 Ų | 142.5 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | 58 | 133.9 | 167 | 51.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 509 | S | 28.9 | Very low | 30 | Very low | 107 Ų | 107 | 143.2 Ų | 143.2 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | cis | -177.2 | 150.4 | -4.4 | 49.8 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 510 | V | 31.4 | Very low | 29.6 | Very low | 114 Ų | 114 | 145 Ų | 145 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | cis | -163.9 | 143.6 | 45.5 | 167.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 511 | D | 29.8 | Very low | 29.5 | Very low | 145 Ų | 145 | 145.3 Ų | 145.3 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | trans | 49.8 | 135.9 | 158.8 | -54.7 | -7.2 | 0 | 0 | 0 | 120.5 | ||||
| 512 | C | 28.8 | Very low | 29.6 | Very low | 104 Ų | 104 | 144.7 Ų | 144.7 | 70% | 0.703 | 79% | 0.786 | S | S | * | * | cis | -151.4 | 152.6 | 3.4 | -105.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 513 | E | 30.6 | Very low | 29.5 | Very low | 173 Ų | 173 | 144.4 Ų | 144.4 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | trans | 30.2 | 100.5 | 145.7 | -56 | -179.4 | 155.4 | 0 | 0 | 118.8 | ||||
| 514 | I | 27.3 | Very low | 29.5 | Very low | 147 Ų | 147 | 148.5 Ų | 148.5 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | 69.8 | 114.1 | 64.7 | -57.5 | 170.9 | 0 | 0 | 0 | 115.1 | |||||
| 515 | N | 29.7 | Very low | 29.3 | Very low | 159 Ų | 159 | 148.5 Ų | 148.5 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | -164.9 | 118.2 | 129.5 | -102.1 | -53 | 0 | 0 | 0 | 111.3 | |||||
| 516 | E | 27.8 | Very low | 29.2 | Very low | 183 Ų | 183 | 147.5 Ų | 147.5 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | trans | -91.5 | 126.3 | 178.3 | -62.9 | -178.5 | 102.4 | 0 | 0 | 111.9 | ||||
| 517 | V | 31.3 | Very low | 29 | Very low | 121 Ų | 121 | 145.2 Ų | 145.2 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | trans | -145.4 | 141.2 | 164.1 | -160.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 518 | N | 30 | Very low | 28.7 | Very low | 145 Ų | 145 | 143.5 Ų | 143.5 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | trans | 70.1 | 77.9 | 168.6 | -63.9 | -28.7 | 0 | 0 | 0 | 119.4 | ||||
| 519 | R | 24.1 | Very low | 28.7 | Very low | 224 Ų | 224 | 145.4 Ų | 145.4 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | trans | -91.2 | 106.2 | 144.2 | -74.2 | -177.7 | 177.4 | -175.7 | -0.6 | 110.2 | ||||
| 520 | T | 27 | Very low | 28.7 | Very low | 121 Ų | 121 | 147.6 Ų | 147.6 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | trans | -164.4 | 168.7 | 164.4 | 13.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 521 | I | 29.6 | Very low | 28.9 | Very low | 148 Ų | 148 | 145.7 Ų | 145.7 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | 71.8 | 74.1 | 175.7 | -46.6 | 178.9 | 0 | 0 | 0 | 113.1 | ||||
| 522 | T | 29.2 | Very low | 29.5 | Very low | 125 Ų | 125 | 144.8 Ų | 144.8 | 77% | 0.767 | 77% | 0.767 | S | S | * | * | 68.5 | 120.4 | 77.9 | 69.6 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 523 | N | 26.4 | Very low | 30.6 | Very low | 158 Ų | 158 | 143.6 Ų | 143.6 | 85% | 0.845 | 75% | 0.753 | S | S | * | * | trans | -1.8 | 124 | 156.6 | -61.9 | -11 | 0 | 0 | 0 | 118.1 | ||||
| 524 | N | 28.9 | Very low | 32.3 | Very low | 162 Ų | 162 | 136.7 Ų | 136.7 | 87% | 0.866 | 72% | 0.721 | S | S | * | * | trans | -149.1 | 122.9 | 136.4 | -118.4 | -29.7 | 0 | 0 | 0 | 111.4 | ||||
| 525 | N | 27.1 | Very low | 34.4 | Very low | 153 Ų | 153 | 133.5 Ų | 133.5 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | trans | -75.6 | 127.3 | 173 | -73.4 | -39.7 | 0 | 0 | 0 | 109.4 | ||||
| 526 | N | 29.5 | Very low | 36.9 | Very low | 137 Ų | 137 | 127.3 Ų | 127.3 | 73% | 0.733 | 68% | 0.681 | S | S | * | * | trans | -166 | 104.8 | 149.8 | -99.9 | -41.1 | 0 | 0 | 0 | 112.8 | ||||
| 527 | N | 27.2 | Very low | 39.7 | Very low | 123 Ų | 123 | 118.9 Ų | 118.9 | 66% | 0.658 | 64% | 0.642 | S | S | * | * | trans | 51.8 | 127.1 | 138 | -53.2 | -27 | 0 | 0 | 0 | 121.8 | ||||
| 528 | N | 26.7 | Very low | 42.4 | Very low | 149 Ų | 149 | 118.8 Ų | 118.8 | 80% | 0.797 | 63% | 0.633 | S | S | * | * | trans | 73.1 | 35.8 | 140.6 | -56.7 | -6.5 | 0 | 0 | 0 | 120.2 | ||||
| 529 | N | 30.5 | Very low | 45.2 | Very low | 155 Ų | 155 | 115.1 Ų | 115.1 | 83% | 0.829 | 61% | 0.614 | S | S | * | * | trans | -102.9 | 96.9 | 167 | -85.3 | -48.9 | 0 | 0 | 0 | 113 | C531 | N529-C531 PolarHBondContact O-N 3.25Š| ||
| 530 | N | 29.9 | Very low | 48.4 | Very low | 154 Ų | 154 | 106.1 Ų | 106.1 | 82% | 0.824 | 58% | 0.581 | S | S | * | * | trans | -73.4 | 83.7 | 174.6 | -73.6 | -15.5 | 0 | 0 | 0 | 111.7 | ||||
| 531 | C | 35.8 | Very low | 51.5 | Low | 73 Ų | 73 | 103.5 Ų | 103.5 | 49% | 0.493 | 56% | 0.564 | S | S | . | * | trans | -149.4 | 89.3 | 162.8 | -94 | 0 | 0 | 0 | 0 | 108.3 | K273 N529 L533 | K273-C531 WeakPolarHBondContact CE-SG 3.31Å; K273-C531 PolarHBondContact NZ-SG 2.97Å; N529-C531 PolarHBondContact O-N 3.25Å; C531-L533 PolarHBondContact O-N 3.24Å | ||
| 532 | I | 41.8 | Very low | 54.4 | Low | 127 Ų | 127 | 99 Ų | 99 | 65% | 0.651 | 54% | 0.542 | S | S | * | . | trans | -77.8 | 104 | 174.8 | -59.8 | 174 | 0 | 0 | 0 | 107.5 | L534 | I532-L534 PolarHBondContact O-N 3.15Š| ||
| 533 | L | 51.3 | Low | 57.4 | Low | 79 Ų | 79 | 93 Ų | 93 | 41% | 0.414 | 51% | 0.505 | S | S | . | . | trans | -58.7 | 129.9 | 158.3 | -81.7 | 163.7 | 0 | 0 | 0 | 107.7 | W271 C531 S535 | W271-L533 HydrophobicContact CZ2-CD2 4.47Å; C531-L533 PolarHBondContact O-N 3.24Å; L533-S535 PolarHBondContact O-N 2.88Å | ||
| 534 | L | 66.4 | Low | 60.5 | Low | 27 Ų | 27 | 86 Ų | 86 | 14% | 0.141 | 47% | 0.469 | C | S | . | . | trans | -66.9 | 94.4 | -179.5 | -79.2 | 170.3 | 0 | 0 | 0 | 110.4 | W433 L461 L465 I532 I550 | W433-L534 HydrophobicContact CB-CD1 3.37Å; W433-L534 HydrophobicContact CB-CG 4.39Å; W433-L534 HydrophobicContact CG-CD1 3.91Å; L461-L534 HydrophobicContact CD2-CD1 4.33Å; L465-L534 HydrophobicContact CD1-CD1 4.15Å; L465-L534 HydrophobicContact CD2-CB 3.83Å; L465-L534 WeakPolarHBondContact CD2-O 3.38Å; I532-L534 PolarHBondContact O-N 3.15Å; L534-I550 HydrophobicContact CD1-CD1 3.71Å; L534-I550 HydrophobicContact CD2-CD1 4.02Å | ||
| 535 | S | 72.2 | Confident | 63.4 | Low | 81 Ų | 81 | 83 Ų | 83 | 57% | 0.566 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 139.3 | 173.8 | 55.3 | 0 | 0 | 0 | 0 | 111.1 | L533 | L533-S535 PolarHBondContact O-N 2.88Š|
| 536 | P | 82.5 | Confident | 66.3 | Low | 28 Ų | 28 | 80.8 Ų | 80.8 | 18% | 0.182 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -54.1 | 144.8 | 168 | -26.1 | 36.1 | 0 | 0 | 0 | 112.2 | P468 L495 I499 H538 | P468-P536 HydrophobicContact CG-CB 3.64Å; L495-P536 HydrophobicContact CD2-CG 4.3Å; I499-P536 HydrophobicContact CD1-CG 4.27Å; P536-H538 PolarHBondContact O-CD2 3.21Å |
| 537 | V | 86.9 | Confident | 69.3 | Low | 7 Ų | 7 | 74.4 Ų | 74.4 | 4% | 0.042 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -94.5 | 139 | -169.5 | 168.8 | 0 | 0 | 0 | 0 | 111.9 | L465 L469 D539 D542 L543 V547 | L465-V537 PolarHBondContact O-N 3.39Å; L469-V537 WeakPolarHBondContact CB-O 3.47Å; L469-V537 HydrophobicContact CD2-CG1 4.26Å; L469-V537 PolarHBondContact N-O 3.16Å; V537-D539 WeakPolarHBondContact CG1-O 3.39Å; V537-D542 HydrophobicContact CG1-CB 4.24Å; V537-D542 HydrophobicContact CG2-CB 4.4Å; V537-L543 HydrophobicContact CG1-CB 4.02Å; V537-V547 HydrophobicContact CB-CG2 4.45Å; V537-V547 HydrophobicContact CG2-CG2 3.61Å |
| 538 | H | 87.3 | Confident | 72.4 | Confident | 119 Ų | 119 | 68.7 Ų | 68.7 | 55% | 0.551 | 36% | 0.364 | S | S | * | . | trans | -119 | -6.3 | -177.8 | -63.2 | -81.1 | 0 | 0 | 0 | 114.8 | K472 P536 | K472-H538 PolarHBondContact NZ-O 3.02Å; P536-H538 PolarHBondContact O-CD2 3.21Å | ||
| 539 | D | 89.3 | Confident | 75.6 | Confident | 68 Ų | 68 | 64.1 Ų | 64.1 | 36% | 0.364 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -139.4 | 169.2 | 174.6 | 84 | 22.7 | 0 | 0 | 0 | 113 | V537 V541 D542 L543 | V537-D539 WeakPolarHBondContact CG1-O 3.39Å; D539-V541 WeakPolarHBondContact OD1-CA 3.37Å; D539-V541 WeakPolarHBondContact OD1-CB 3.36Å; D539-V541 PolarHBondContact OD1-N 2.91Å; D539-D542 PolarHBondContact OD1-N 3.2Å; D539-L543 PolarHBondContact O-N 3.02Å |
| 540 | F | 91.7 | Very high | 78.5 | Confident | 35 Ų | 35 | 57 Ų | 57 | 15% | 0.154 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -76.7 | -18.8 | -178.6 | -73 | -75.4 | 0 | 0 | 0 | 114.5 | L469 A473 L543 A544 L571 I574 Y575 V591 F595 | L469-F540 HydrophobicContact CD2-CD1 4.1Å; L469-F540 HydrophobicContact CD2-CE1 4.3Å; A473-F540 HydrophobicContact CB-CZ 4.37Å; F540-L543 HydrophobicContact CD1-CD2 4.06Å; F540-A544 PolarHBondContact O-N 3.47Å; F540-L571 HydrophobicContact CE1-CB 4.2Å; F540-L571 HydrophobicContact CE1-CD2 4.09Å; F540-L571 WeakPolarHBondContact CE1-O 2.99Å; F540-L571 HydrophobicContact CZ-CD2 4.42Å; F540-I574 HydrophobicContact CZ-CG2 4.28Å; F540-Y575 HydrophobicContact CB-CD2 4.25Å; F540-Y575 HydrophobicContact CD1-CD2 4.47Å; F540-Y575 HydrophobicContact CD2-CD2 4.29Å; F540-Y575 HydrophobicContact CG-CD2 4.11Å; F540-V591 HydrophobicContact CB-CG1 3.89Å; F540-V591 HydrophobicContact CB-CG2 4.34Å; F540-V591 VanDerWaalsContact O-CG2 3.27Å; F540-V591 WeakPolarHBondContact O-CG2 3.37Å; F540-F595 HydrophobicContact CD1-CE2 4.23Å; F540-F595 HydrophobicContact CD1-CZ 4.36Å; F540-F595 HydrophobicContact CE1-CZ 4.48Å |
| 541 | V | 91.3 | Very high | 81.5 | Confident | 65 Ų | 65 | 49.6 Ų | 49.6 | 39% | 0.394 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -75.3 | -45.6 | -178.1 | 175.8 | 0 | 0 | 0 | 0 | 109.7 | D539 A544 K545 V591 | D539-V541 WeakPolarHBondContact OD1-CA 3.37Å; D539-V541 WeakPolarHBondContact OD1-CB 3.36Å; D539-V541 PolarHBondContact OD1-N 2.91Å; V541-A544 PolarHBondContact O-N 2.74Å; V541-K545 HydrophobicContact CG1-CD 4.48Å; V541-K545 WeakPolarHBondContact O-CG 3.25Å; V541-K545 PolarHBondContact O-N 3.03Å; V541-V591 HydrophobicContact CG2-CG2 4.1Å |
| 542 | D | 90.4 | Very high | 84.3 | Confident | 54 Ų | 54 | 48.2 Ų | 48.2 | 29% | 0.289 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -74.8 | -27.9 | 177.4 | -71.4 | -10.4 | 0 | 0 | 0 | 111.9 | V537 D539 A544 K545 Y546 | V537-D542 HydrophobicContact CG1-CB 4.24Å; V537-D542 HydrophobicContact CG2-CB 4.4Å; D539-D542 PolarHBondContact OD1-N 3.2Å; D542-A544 VanDerWaalsContact C-N 3.29Å; D542-A544 PolarHBondContact O-N 3.19Å; D542-K545 PolarHBondContact O-N 3.27Å; D542-K545 WeakPolarHBondContact OD1-CD 3.24Å; D542-K545 IonicContact OD1-NZ 2.99Å; D542-K545 PolarHBondContact OD1-NZ 3.29Å; D542-Y546 HydrophobicContact CB-CD2 3.86Å; D542-Y546 HydrophobicContact CB-CE2 4.06Å; D542-Y546 WeakPolarHBondContact O-CB 3.18Å; D542-Y546 WeakPolarHBondContact O-CD2 3.3Å; D542-Y546 PolarHBondContact O-N 3.14Å |
| 543 | L | 91.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -54.8 | -47.5 | 165.8 | -175 | 77.5 | 0 | 0 | 0 | 110.7 | I466 L469 V537 D539 F540 V547 I548 F568 L571 F595 | I466-L543 HydrophobicContact CG2-CD1 3.66Å; L469-L543 HydrophobicContact CD2-CB 4.01Å; L469-L543 HydrophobicContact CD2-CD1 4.09Å; L469-L543 HydrophobicContact CD2-CD2 3.89Å; L469-L543 HydrophobicContact CD2-CG 4.21Å; V537-L543 HydrophobicContact CG1-CB 4.02Å; D539-L543 PolarHBondContact O-N 3.02Å; F540-L543 HydrophobicContact CD1-CD2 4.06Å; L543-V547 HydrophobicContact CD1-CB 3.97Å; L543-V547 HydrophobicContact CD1-CG1 4.12Å; L543-V547 HydrophobicContact CD1-CG2 4.36Å; L543-V547 PolarHBondContact O-N 2.95Å; L543-V547 VanDerWaalsContact O-N 3.08Å; L543-I548 HydrophobicContact CG-CG1 4.44Å; L543-I548 PolarHBondContact O-N 3.3Å; L543-F568 HydrophobicContact CD1-CE1 4.4Å; L543-L571 HydrophobicContact CD1-CD1 4.46Å; L543-L571 HydrophobicContact CD2-CD1 4.32Å; L543-F595 HydrophobicContact CD2-CE1 4.42Å; L543-F595 HydrophobicContact CD2-CE2 4.36Å; L543-F595 HydrophobicContact CD2-CZ 3.69Å |
| 544 | A | 92 | Very high | 88.6 | Confident | 11 Ų | 11 | 41.4 Ų | 41.4 | 9% | 0.091 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -76.2 | -28.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | F540 V541 D542 I548 I590 V591 | F540-A544 PolarHBondContact O-N 3.47Å; V541-A544 PolarHBondContact O-N 2.74Å; D542-A544 VanDerWaalsContact C-N 3.29Å; D542-A544 PolarHBondContact O-N 3.19Å; A544-I548 HydrophobicContact CB-CD1 4.46Å; A544-I590 HydrophobicContact CB-CG2 3.99Å; A544-V591 HydrophobicContact CB-CB 4.29Å; A544-V591 HydrophobicContact CB-CG2 4.07Å |
| 545 | K | 90 | Very high | 89.7 | Confident | 98 Ų | 98 | 40.1 Ų | 40.1 | 43% | 0.426 | 21% | 0.207 | S | C | . | . | I | π-helix | trans | -77.1 | -39 | 175.9 | -71.3 | 174.8 | -164.5 | 148.9 | 0 | 113.9 | V541 D542 P549 | V541-K545 HydrophobicContact CG1-CD 4.48Å; V541-K545 WeakPolarHBondContact O-CG 3.25Å; V541-K545 PolarHBondContact O-N 3.03Å; D542-K545 PolarHBondContact O-N 3.27Å; D542-K545 WeakPolarHBondContact OD1-CD 3.24Å; D542-K545 IonicContact OD1-NZ 2.99Å; D542-K545 PolarHBondContact OD1-NZ 3.29Å; K545-P549 WeakPolarHBondContact O-CG 3.49Å |
| 546 | Y | 88.8 | Confident | 90.6 | Very high | 107 Ų | 107 | 36.3 Ų | 36.3 | 42% | 0.42 | 18% | 0.18 | S | C | . | . | I | π-helix | trans | -117.3 | -44.7 | -165.6 | -56.1 | -65.5 | 0 | 0 | 0 | 112.7 | D542 I550 | D542-Y546 HydrophobicContact CB-CD2 3.86Å; D542-Y546 HydrophobicContact CB-CE2 4.06Å; D542-Y546 WeakPolarHBondContact O-CB 3.18Å; D542-Y546 WeakPolarHBondContact O-CD2 3.3Å; D542-Y546 PolarHBondContact O-N 3.14Å; Y546-I550 WeakPolarHBondContact O-CD1 3.28Å; Y546-I550 VanDerWaalsContact O-CG1 3.27Å; Y546-I550 WeakPolarHBondContact O-CG1 3.26Å |
| 547 | V | 91.9 | Very high | 91 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.012 | 17% | 0.172 | C | C | . | . | I | π-helix | trans | -87.4 | -41.5 | -171.3 | -176.7 | 0 | 0 | 0 | 0 | 112.8 | L462 L465 I466 V537 L543 I550 A551 F568 | L462-V547 HydrophobicContact CD2-CG1 3.61Å; L465-V547 HydrophobicContact CB-CG2 3.95Å; L465-V547 HydrophobicContact CD1-CG2 4.38Å; I466-V547 HydrophobicContact CG2-CG1 3.64Å; V537-V547 HydrophobicContact CB-CG2 4.45Å; V537-V547 HydrophobicContact CG2-CG2 3.61Å; L543-V547 HydrophobicContact CD1-CB 3.97Å; L543-V547 HydrophobicContact CD1-CG1 4.12Å; L543-V547 HydrophobicContact CD1-CG2 4.36Å; L543-V547 PolarHBondContact O-N 2.95Å; L543-V547 VanDerWaalsContact O-N 3.08Å; V547-I550 WeakPolarHBondContact O-CB 3.49Å; V547-I550 PolarHBondContact O-N 3.21Å; V547-A551 PolarHBondContact O-N 3.11Å; V547-F568 HydrophobicContact CG1-CE1 4.28Å; V547-F568 HydrophobicContact CG1-CZ 4.09Å |
| 548 | I | 92.9 | Very high | 91.3 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.015 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.5 | -41.4 | 177.1 | -69.5 | -177.2 | 0 | 0 | 0 | 111.8 | L543 A544 I550 A551 I552 G594 F595 L598 | L543-I548 HydrophobicContact CG-CG1 4.44Å; L543-I548 PolarHBondContact O-N 3.3Å; A544-I548 HydrophobicContact CB-CD1 4.46Å; I548-I550 PolarHBondContact O-N 2.95Å; I548-A551 WeakPolarHBondContact O-CB 3.2Å; I548-A551 PolarHBondContact O-N 2.91Å; I548-I552 HydrophobicContact CG2-CD1 4.15Å; I548-I552 WeakPolarHBondContact O-CG1 3.5Å; I548-I552 PolarHBondContact O-N 3.46Å; I548-G594 WeakPolarHBondContact CG2-O 3.48Å; I548-F595 HydrophobicContact CD1-CD1 4.39Å; I548-F595 HydrophobicContact CD1-CE1 4.47Å; I548-L598 HydrophobicContact CD1-CD2 4.36Å; I548-L598 HydrophobicContact CG1-CD2 4.36Å; I548-L598 HydrophobicContact CG2-CB 4.16Å; I548-L598 HydrophobicContact CG2-CD1 4.44Å |
| 549 | P | 92.6 | Very high | 91.5 | Very high | 54 Ų | 54 | 30.1 Ų | 30.1 | 35% | 0.351 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -58.5 | -40.9 | 171.7 | -30.2 | 39.4 | 0 | 0 | 0 | 114.1 | K545 A551 I552 Y553 | K545-P549 WeakPolarHBondContact O-CG 3.49Å; P549-A551 VanDerWaalsContact C-N 3.34Å; P549-A551 PolarHBondContact O-N 2.86Å; P549-I552 PolarHBondContact O-N 2.92Å; P549-Y553 VanDerWaalsContact O-CD2 3.23Å; P549-Y553 WeakPolarHBondContact O-CD2 3.49Å |
| 550 | I | 92.1 | Very high | 91.5 | Very high | 4 Ų | 4 | 31.6 Ų | 31.6 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.1 | -44.9 | 174.1 | -63.1 | 167.4 | 0 | 0 | 0 | 110.3 | W433 I458 L462 L465 L534 Y546 V547 I548 I552 Y553 | W433-I550 HydrophobicContact CD2-CD1 4.37Å; W433-I550 HydrophobicContact CD2-CG1 4.01Å; W433-I550 HydrophobicContact CD2-CG2 4.22Å; W433-I550 HydrophobicContact CE3-CG2 4.03Å; W433-I550 HydrophobicContact CG-CD1 4.34Å; W433-I550 HydrophobicContact CG-CG1 4.33Å; W433-I550 HydrophobicContact CH2-CG2 3.82Å; W433-I550 HydrophobicContact CZ2-CB 4.26Å; W433-I550 HydrophobicContact CZ2-CG1 4.08Å; W433-I550 HydrophobicContact CZ2-CG2 4.01Å; W433-I550 HydrophobicContact CZ3-CG2 3.83Å; I458-I550 HydrophobicContact CG2-CG2 4.41Å; L462-I550 HydrophobicContact CD1-CG2 4.45Å; L462-I550 HydrophobicContact CD2-CB 3.86Å; L462-I550 HydrophobicContact CD2-CG2 3.57Å; L462-I550 HydrophobicContact CG-CG2 4Å; L465-I550 HydrophobicContact CD1-CD1 3.86Å; L534-I550 HydrophobicContact CD1-CD1 3.71Å; L534-I550 HydrophobicContact CD2-CD1 4.02Å; Y546-I550 WeakPolarHBondContact O-CD1 3.28Å; Y546-I550 VanDerWaalsContact O-CG1 3.27Å; Y546-I550 WeakPolarHBondContact O-CG1 3.26Å; V547-I550 WeakPolarHBondContact O-CB 3.49Å; V547-I550 PolarHBondContact O-N 3.21Å; I548-I550 PolarHBondContact O-N 2.95Å; I550-I552 PolarHBondContact O-N 3.45Å; I550-Y553 PolarHBondContact O-N 3Å |
| 551 | A | 93.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.1 | -28.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L462 V547 I548 P549 Y553 L554 M558 F568 L598 V602 | L462-A551 HydrophobicContact CD1-CB 4.08Å; L462-A551 HydrophobicContact CD2-CB 4.25Å; V547-A551 PolarHBondContact O-N 3.11Å; I548-A551 WeakPolarHBondContact O-CB 3.2Å; I548-A551 PolarHBondContact O-N 2.91Å; P549-A551 VanDerWaalsContact C-N 3.34Å; P549-A551 PolarHBondContact O-N 2.86Å; A551-Y553 VanDerWaalsContact C-N 3.34Å; A551-Y553 PolarHBondContact O-N 3.34Å; A551-L554 WeakPolarHBondContact O-CB 3.46Å; A551-L554 PolarHBondContact O-N 3.44Å; A551-M558 HydrophobicContact CB-CE 3.9Å; A551-F568 HydrophobicContact CB-CE2 4.18Å; A551-F568 HydrophobicContact CB-CZ 4.02Å; A551-L598 HydrophobicContact CB-CD1 3.75Å; A551-V602 WeakPolarHBondContact O-CG2 3.24Å |
| 552 | I | 93.1 | Very high | 91.6 | Very high | 44 Ų | 44 | 31.4 Ų | 31.4 | 23% | 0.226 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.5 | -31.7 | 178.3 | -72 | 165.5 | 0 | 0 | 0 | 112.2 | I548 P549 I550 L554 G555 N597 E601 V602 | I548-I552 HydrophobicContact CG2-CD1 4.15Å; I548-I552 WeakPolarHBondContact O-CG1 3.5Å; I548-I552 PolarHBondContact O-N 3.46Å; P549-I552 PolarHBondContact O-N 2.92Å; I550-I552 PolarHBondContact O-N 3.45Å; I552-L554 PolarHBondContact O-N 3.42Å; I552-G555 PolarHBondContact O-N 2.72Å; I552-N597 HydrophobicContact CD1-CB 4.13Å; I552-E601 HydrophobicContact CG2-CB 4.37Å; I552-V602 HydrophobicContact CG1-CG2 4.2Å |
| 553 | Y | 91.2 | Very high | 91.7 | Very high | 63 Ų | 63 | 34 Ų | 34 | 25% | 0.247 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -20.3 | 176.6 | -71.4 | -95.5 | 0 | 0 | 0 | 113.5 | W433 Q437 L440 E441 T449 P549 I550 A551 | W433-Y553 HydrophobicContact CH2-CD2 4.18Å; W433-Y553 HydrophobicContact CH2-CG 4.26Å; W433-Y553 AromaticContact CZ2-CD2 3.7Å; W433-Y553 HydrophobicContact CZ2-CD2 3.7Å; W433-Y553 HydrophobicContact CZ2-CE2 4.04Å; W433-Y553 HydrophobicContact CZ2-CG 4.16Å; Q437-Y553 HydrophobicContact CG-CE1 4.26Å; Q437-Y553 HydrophobicContact CG-CE2 4.35Å; Q437-Y553 WeakPolarHBondContact CG-OH 3.43Å; Q437-Y553 PolarHBondContact NE2-OH 3.05Å; Q437-Y553 VanDerWaalsContact NE2-OH 3.13Å; L440-Y553 HydrophobicContact CB-CD1 4.15Å; L440-Y553 HydrophobicContact CB-CE1 4.46Å; L440-Y553 HydrophobicContact CD1-CD1 4.24Å; L440-Y553 HydrophobicContact CD1-CG 4.46Å; E441-Y553 HydrophobicContact CG-CE1 4.03Å; E441-Y553 PolarHBondContact OE1-OH 2.99Å; T449-Y553 WeakPolarHBondContact CG2-O 3.39Å; T449-Y553 PolarHBondContact OG1-O 3.17Å; P549-Y553 VanDerWaalsContact O-CD2 3.23Å; P549-Y553 WeakPolarHBondContact O-CD2 3.49Å; I550-Y553 PolarHBondContact O-N 3Å; A551-Y553 VanDerWaalsContact C-N 3.34Å; A551-Y553 PolarHBondContact O-N 3.34Å |
| 554 | L | 91.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -27.7 | 172.9 | -68.7 | 178.5 | 0 | 0 | 0 | 113.1 | T449 T455 I458 L462 A551 I552 H557 M558 | T449-L554 HydrophobicContact CG2-CD2 3.97Å; T455-L554 HydrophobicContact CG2-CD2 3.85Å; I458-L554 HydrophobicContact CB-CD2 3.96Å; I458-L554 HydrophobicContact CD1-CD2 4.33Å; I458-L554 HydrophobicContact CG2-CD1 4.14Å; I458-L554 HydrophobicContact CG2-CD2 3.69Å; I458-L554 HydrophobicContact CG2-CG 3.88Å; L462-L554 HydrophobicContact CD1-CD1 3.64Å; A551-L554 WeakPolarHBondContact O-CB 3.46Å; A551-L554 PolarHBondContact O-N 3.44Å; I552-L554 PolarHBondContact O-N 3.42Å; L554-H557 WeakPolarHBondContact O-CB 3.45Å; L554-H557 PolarHBondContact O-N 3.12Å; L554-M558 HydrophobicContact CB-CB 4.4Å; L554-M558 HydrophobicContact CD1-CB 4.23Å; L554-M558 HydrophobicContact CD1-CE 3.78Å; L554-M558 HydrophobicContact CD1-CG 4.28Å |
| 555 | G | 89.8 | Confident | 91.9 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | 48 | -128.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y446 I552 H557 E601 V602 S606 | Y446-G555 VanDerWaalsContact CE1-CA 3.47Å; I552-G555 PolarHBondContact O-N 2.72Å; G555-H557 PolarHBondContact O-N 3.14Å; G555-E601 CarbonylContact C-O 3.58Å; G555-E601 WeakPolarHBondContact CA-O 3.45Å; G555-V602 WeakPolarHBondContact O-CA 3.3Å; G555-V602 WeakPolarHBondContact O-CG1 3.39Å; G555-S606 PolarHBondContact O-OG 2.88Å |
| 556 | P | 90.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -71.8 | -13.2 | 178.5 | 30.6 | -33.7 | 0 | 0 | 0 | 114.3 | Y446 M558 S559 P605 S606 L609 E647 L650 | Y446-P556 HydrophobicContact CD2-CG 4.47Å; P556-M558 PolarHBondContact O-N 3.31Å; P556-S559 WeakPolarHBondContact O-CB 3.3Å; P556-S559 PolarHBondContact O-N 3.41Å; P556-S559 PolarHBondContact O-OG 2.98Å; P556-P605 HydrophobicContact CB-CB 3.77Å; P556-S606 WeakPolarHBondContact O-CA 3.32Å; P556-S606 PolarHBondContact O-OG 3Å; P556-S606 VanDerWaalsContact O-OG 3.04Å; P556-L609 HydrophobicContact CB-CD1 3.93Å; P556-L609 HydrophobicContact CB-CG 4.44Å; P556-E647 HydrophobicContact CG-CG 4.03Å; P556-L650 HydrophobicContact CB-CD1 4.07Å; P556-L650 HydrophobicContact CB-CD2 4.36Å; P556-L650 HydrophobicContact CB-CG 4.33Å; P556-L650 HydrophobicContact CG-CD1 4.08Å; P556-L650 HydrophobicContact CG-CG 4.44Å |
| 557 | H | 92 | Very high | 92.3 | Very high | 3 Ų | 3 | 26.5 Ų | 26.5 | 1% | 0.014 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -79.8 | -0.4 | -174 | -57.2 | -77.9 | 0 | 0 | 0 | 113.7 | T449 T450 T455 L554 G555 S559 Y560 E647 S649 | T449-H557 VanDerWaalsContact O-CB 3.29Å; T449-H557 WeakPolarHBondContact O-CB 3.23Å; T449-H557 VanDerWaalsContact O-CG 3.23Å; T450-H557 PolarHBondContact OG1-NE2 2.72Å; T455-H557 HydrophobicContact CG2-CB 4.29Å; L554-H557 WeakPolarHBondContact O-CB 3.45Å; L554-H557 PolarHBondContact O-N 3.12Å; G555-H557 PolarHBondContact O-N 3.14Å; H557-S559 PolarHBondContact O-N 3.43Å; H557-Y560 HydrophobicContact CB-CD2 4.08Å; H557-Y560 HydrophobicContact CB-CE2 4.06Å; H557-Y560 AromaticContact CE1-CD2 3.99Å; H557-Y560 AromaticContact CE1-CE2 3.07Å; H557-Y560 WeakPolarHBondContact CE1-CE2 3.43Å; H557-Y560 AromaticContact CE1-CZ 3.73Å; H557-Y560 AromaticContact ND1-CE2 3.9Å; H557-Y560 WeakPolarHBondContact O-CD2 3.46Å; H557-Y560 PolarHBondContact O-N 3.49Å; H557-Y560 VanDerWaalsContact O-N 3.17Å; H557-E647 IonicContact NE2-OE1 3.6Å; H557-S649 PolarHBondContact NE2-OG 3.18Å |
| 558 | M | 92.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -60.7 | -12.8 | 163.2 | -164.2 | -178.8 | -77.6 | 0 | 0 | 111.8 | L462 A551 L554 P556 Y560 D561 L564 I565 F568 V602 L603 | L462-M558 HydrophobicContact CD1-CE 4.32Å; A551-M558 HydrophobicContact CB-CE 3.9Å; L554-M558 HydrophobicContact CB-CB 4.4Å; L554-M558 HydrophobicContact CD1-CB 4.23Å; L554-M558 HydrophobicContact CD1-CE 3.78Å; L554-M558 HydrophobicContact CD1-CG 4.28Å; P556-M558 PolarHBondContact O-N 3.31Å; M558-Y560 PolarHBondContact O-N 3.14Å; M558-Y560 VanDerWaalsContact O-N 3.09Å; M558-D561 CarbonylContact O-C 3.59Å; M558-D561 PolarHBondContact O-N 2.87Å; M558-L564 HydrophobicContact CE-CD2 3.85Å; M558-L564 HydrophobicContact CE-CG 4.13Å; M558-L564 HydrophobicContact CG-CD2 4.16Å; M558-L564 HydrophobicContact CG-CG 4.38Å; M558-L564 HydrophobicContact SD-CD2 4.16Å; M558-L564 HydrophobicContact SD-CG 3.98Å; M558-I565 HydrophobicContact CB-CG1 4.39Å; M558-I565 HydrophobicContact CG-CD1 4.44Å; M558-I565 HydrophobicContact CG-CG1 3.71Å; M558-I565 HydrophobicContact SD-CG1 3.84Å; M558-F568 HydrophobicContact CE-CD2 3.98Å; M558-F568 HydrophobicContact CE-CE2 3.66Å; M558-F568 HydrophobicContact SD-CD2 3.98Å; M558-F568 HydrophobicContact SD-CE2 4.25Å; M558-V602 HydrophobicContact CB-CG1 3.82Å; M558-V602 HydrophobicContact CE-CG1 3.62Å; M558-V602 HydrophobicContact CG-CG1 4.41Å; M558-V602 HydrophobicContact SD-CG1 3.79Å; M558-L603 HydrophobicContact SD-CD2 4.13Å |
| 559 | S | 91.7 | Very high | 92.6 | Very high | 21 Ų | 21 | 26.3 Ų | 26.3 | 15% | 0.147 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -50.4 | -26.7 | 167.8 | 61.2 | 0 | 0 | 0 | 0 | 115.2 | P556 H557 D561 | P556-S559 WeakPolarHBondContact O-CB 3.3Å; P556-S559 PolarHBondContact O-N 3.41Å; P556-S559 PolarHBondContact O-OG 2.98Å; H557-S559 PolarHBondContact O-N 3.43Å; S559-D561 VanDerWaalsContact C-N 3.29Å; S559-D561 PolarHBondContact O-N 3.37Å |
| 560 | Y | 89.6 | Confident | 92.6 | Very high | 99 Ų | 99 | 28 Ų | 28 | 39% | 0.388 | 13% | 0.131 | S | C | . | . | G | 310 helix | trans | -71.2 | -19.4 | 175.6 | -65.9 | -70.7 | 0 | 0 | 0 | 113.5 | E452 T455 H557 M558 | E452-Y560 HydrophobicContact CG-CD1 4.19Å; E452-Y560 HydrophobicContact CG-CE1 4.3Å; E452-Y560 HydrophobicContact CG-CG 4.5Å; T455-Y560 HydrophobicContact CG2-CD2 3.76Å; T455-Y560 HydrophobicContact CG2-CG 4.48Å; H557-Y560 HydrophobicContact CB-CD2 4.08Å; H557-Y560 HydrophobicContact CB-CE2 4.06Å; H557-Y560 AromaticContact CE1-CD2 3.99Å; H557-Y560 AromaticContact CE1-CE2 3.07Å; H557-Y560 WeakPolarHBondContact CE1-CE2 3.43Å; H557-Y560 AromaticContact CE1-CZ 3.73Å; H557-Y560 AromaticContact ND1-CE2 3.9Å; H557-Y560 WeakPolarHBondContact O-CD2 3.46Å; H557-Y560 PolarHBondContact O-N 3.49Å; H557-Y560 VanDerWaalsContact O-N 3.17Å; M558-Y560 PolarHBondContact O-N 3.14Å; M558-Y560 VanDerWaalsContact O-N 3.09Å |
| 561 | D | 92.3 | Very high | 92.7 | Very high | 24 Ų | 24 | 27.8 Ų | 27.8 | 13% | 0.128 | 13% | 0.13 | C | C | . | . | trans | -126.4 | 87.6 | 175.6 | -174.6 | -8.8 | 0 | 0 | 0 | 111.8 | C459 H463 M558 S559 I563 L564 I565 | C459-D561 HydrophobicContact CB-CB 3.99Å; H463-D561 IonicContact CE1-OD1 2.79Å; H463-D561 IonicContact CE1-OD2 2.86Å; H463-D561 PolarHBondContact CE1-OD2 3Å; H463-D561 IonicContact ND1-OD2 2.91Å; H463-D561 PolarHBondContact ND1-OD2 2.84Å; H463-D561 IonicContact NE2-OD2 3.9Å; M558-D561 CarbonylContact O-C 3.59Å; M558-D561 PolarHBondContact O-N 2.87Å; S559-D561 VanDerWaalsContact C-N 3.29Å; S559-D561 PolarHBondContact O-N 3.37Å; D561-I563 PolarHBondContact O-N 3.03Å; D561-I563 WeakPolarHBondContact OD1-CA 3.46Å; D561-I563 VanDerWaalsContact OD1-CB 3.29Å; D561-I563 WeakPolarHBondContact OD1-CB 3.18Å; D561-I563 PolarHBondContact OD1-N 2.88Å; D561-L564 HydrophobicContact CB-CB 4.03Å; D561-L564 VanDerWaalsContact CG-CB 3.47Å; D561-L564 PolarHBondContact O-N 3.03Å; D561-L564 PolarHBondContact OD1-N 2.69Å; D561-L564 WeakPolarHBondContact OD2-CB 3.49Å; D561-I565 PolarHBondContact O-N 3.25Å | ||
| 562 | L | 92.3 | Very high | 92.7 | Very high | 71 Ų | 71 | 27.8 Ų | 27.8 | 37% | 0.372 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -61.3 | -25.3 | 174.9 | -56.3 | -178.2 | 0 | 0 | 0 | 113.3 | I565 V566 V610 L616 | L562-I565 HydrophobicContact CD2-CD1 4.39Å; L562-V566 WeakPolarHBondContact O-CG2 3.23Å; L562-V566 PolarHBondContact O-N 3.12Å; L562-V610 HydrophobicContact CD2-CB 4.48Å; L562-V610 HydrophobicContact CD2-CG1 3.96Å; L562-V610 HydrophobicContact CD2-CG2 3.59Å; L562-L616 HydrophobicContact CD2-CD2 4.15Å |
| 563 | I | 92.9 | Very high | 92.8 | Very high | 108 Ų | 108 | 28.3 Ų | 28.3 | 55% | 0.554 | 13% | 0.132 | S | C | * | . | H | α-helix | trans | -73.7 | -39.6 | -179.7 | -55.1 | 178.1 | 0 | 0 | 0 | 109.4 | D561 V566 K567 | D561-I563 PolarHBondContact O-N 3.03Å; D561-I563 WeakPolarHBondContact OD1-CA 3.46Å; D561-I563 VanDerWaalsContact OD1-CB 3.29Å; D561-I563 WeakPolarHBondContact OD1-CB 3.18Å; D561-I563 PolarHBondContact OD1-N 2.88Å; I563-V566 PolarHBondContact O-N 2.89Å; I563-K567 HydrophobicContact CG2-CD 4.46Å; I563-K567 WeakPolarHBondContact O-CG 3.26Å; I563-K567 PolarHBondContact O-N 3.47Å |
| 564 | L | 93 | Very high | 92.8 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.8 | -43.9 | 175.5 | -174.9 | 58 | 0 | 0 | 0 | 112 | C459 L462 I466 M558 D561 V566 K567 F568 | C459-L564 HydrophobicContact CB-CD2 3.98Å; L462-L564 HydrophobicContact CB-CD1 4.06Å; L462-L564 HydrophobicContact CB-CD2 3.88Å; L462-L564 HydrophobicContact CD1-CD2 3.84Å; I466-L564 HydrophobicContact CD1-CD1 3.59Å; M558-L564 HydrophobicContact CE-CD2 3.85Å; M558-L564 HydrophobicContact CE-CG 4.13Å; M558-L564 HydrophobicContact CG-CD2 4.16Å; M558-L564 HydrophobicContact CG-CG 4.38Å; M558-L564 HydrophobicContact SD-CD2 4.16Å; M558-L564 HydrophobicContact SD-CG 3.98Å; D561-L564 HydrophobicContact CB-CB 4.03Å; D561-L564 VanDerWaalsContact CG-CB 3.47Å; D561-L564 PolarHBondContact O-N 3.03Å; D561-L564 PolarHBondContact OD1-N 2.69Å; D561-L564 WeakPolarHBondContact OD2-CB 3.49Å; L564-V566 VanDerWaalsContact C-N 3.32Å; L564-V566 PolarHBondContact O-N 3.11Å; L564-K567 PolarHBondContact O-N 3.23Å; L564-F568 HydrophobicContact CD1-CD2 3.82Å; L564-F568 HydrophobicContact CD1-CE2 3.45Å; L564-F568 VanDerWaalsContact CD1-CE2 3.45Å; L564-F568 HydrophobicContact CD1-CZ 4.26Å; L564-F568 HydrophobicContact CD2-CE2 4.25Å; L564-F568 HydrophobicContact CG-CD2 3.88Å; L564-F568 HydrophobicContact CG-CE2 3.68Å; L564-F568 WeakPolarHBondContact O-CD2 3.36Å; L564-F568 PolarHBondContact O-N 3.42Å |
| 565 | I | 94.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -55.4 | -48.3 | 174 | -60.1 | 177.1 | 0 | 0 | 0 | 110.2 | M558 D561 L562 F568 C569 L603 L616 | M558-I565 HydrophobicContact CB-CG1 4.39Å; M558-I565 HydrophobicContact CG-CD1 4.44Å; M558-I565 HydrophobicContact CG-CG1 3.71Å; M558-I565 HydrophobicContact SD-CG1 3.84Å; D561-I565 PolarHBondContact O-N 3.25Å; L562-I565 HydrophobicContact CD2-CD1 4.39Å; I565-F568 PolarHBondContact O-N 2.97Å; I565-C569 PolarHBondContact O-N 3.25Å; I565-C569 PolarHBondContact O-SG 3.4Å; I565-L603 HydrophobicContact CB-CD2 4.4Å; I565-L603 HydrophobicContact CG1-CD2 4.48Å; I565-L603 HydrophobicContact CG2-CD2 3.87Å; I565-L616 HydrophobicContact CB-CD1 4.21Å; I565-L616 HydrophobicContact CD1-CD2 4.36Å; I565-L616 HydrophobicContact CG2-CD1 3.67Å; I565-L616 HydrophobicContact CG2-CD2 4.42Å; I565-L616 HydrophobicContact CG2-CG 4.29Å |
| 566 | V | 94.3 | Very high | 92.8 | Very high | 32 Ų | 32 | 28.6 Ų | 28.6 | 19% | 0.194 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.7 | -39.2 | 179.4 | 171.4 | 0 | 0 | 0 | 0 | 112.2 | L562 I563 L564 C569 R570 L616 | L562-V566 WeakPolarHBondContact O-CG2 3.23Å; L562-V566 PolarHBondContact O-N 3.12Å; I563-V566 PolarHBondContact O-N 2.89Å; L564-V566 VanDerWaalsContact C-N 3.32Å; L564-V566 PolarHBondContact O-N 3.11Å; V566-C569 PolarHBondContact O-N 2.93Å; V566-R570 VanDerWaalsContact CG1-CZ 3.48Å; V566-R570 WeakPolarHBondContact O-CG 3.42Å; V566-R570 PolarHBondContact O-N 3.4Å; V566-R570 VanDerWaalsContact O-N 3.09Å; V566-L616 HydrophobicContact CG2-CD1 3.77Å |
| 567 | K | 93.9 | Very high | 92.7 | Very high | 28 Ų | 28 | 30.9 Ų | 30.9 | 12% | 0.122 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.6 | -46.5 | 174.4 | -75.6 | 174.1 | 178 | 176.1 | 0 | 111.6 | H463 I466 Y470 I563 L564 R570 L571 | H463-K567 PolarHBondContact CD2-NZ 3.45Å; H463-K567 PolarHBondContact CE1-NZ 3.05Å; H463-K567 PolarHBondContact NE2-NZ 3.47Å; I466-K567 HydrophobicContact CD1-CB 3.76Å; I466-K567 HydrophobicContact CD1-CD 3.86Å; I466-K567 HydrophobicContact CD1-CG 4.43Å; I466-K567 HydrophobicContact CG1-CD 4.45Å; Y470-K567 HydrophobicContact CD1-CG 4.46Å; Y470-K567 HydrophobicContact CD2-CB 4.03Å; Y470-K567 HydrophobicContact CD2-CG 4.01Å; Y470-K567 HydrophobicContact CE1-CG 4.3Å; Y470-K567 HydrophobicContact CE2-CB 4.05Å; Y470-K567 HydrophobicContact CE2-CG 3.85Å; Y470-K567 HydrophobicContact CG-CG 4.33Å; I563-K567 HydrophobicContact CG2-CD 4.46Å; I563-K567 WeakPolarHBondContact O-CG 3.26Å; I563-K567 PolarHBondContact O-N 3.47Å; L564-K567 PolarHBondContact O-N 3.23Å; K567-R570 PolarHBondContact O-N 2.86Å; K567-L571 WeakPolarHBondContact O-CG 3.49Å; K567-L571 PolarHBondContact O-N 3.34Å; K567-L571 VanDerWaalsContact O-N 3.12Å |
| 568 | F | 95.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.2 | -43.5 | 176.8 | -81.3 | -60.3 | 0 | 0 | 0 | 112.8 | L462 I466 L543 V547 A551 M558 L564 I565 R570 L571 G572 L598 L603 | L462-F568 HydrophobicContact CD2-CZ 4.48Å; I466-F568 HydrophobicContact CG2-CE1 4.08Å; I466-F568 HydrophobicContact CG2-CZ 4.23Å; L543-F568 HydrophobicContact CD1-CE1 4.4Å; V547-F568 HydrophobicContact CG1-CE1 4.28Å; V547-F568 HydrophobicContact CG1-CZ 4.09Å; A551-F568 HydrophobicContact CB-CE2 4.18Å; A551-F568 HydrophobicContact CB-CZ 4.02Å; M558-F568 HydrophobicContact CE-CD2 3.98Å; M558-F568 HydrophobicContact CE-CE2 3.66Å; M558-F568 HydrophobicContact SD-CD2 3.98Å; M558-F568 HydrophobicContact SD-CE2 4.25Å; L564-F568 HydrophobicContact CD1-CD2 3.82Å; L564-F568 HydrophobicContact CD1-CE2 3.45Å; L564-F568 VanDerWaalsContact CD1-CE2 3.45Å; L564-F568 HydrophobicContact CD1-CZ 4.26Å; L564-F568 HydrophobicContact CD2-CE2 4.25Å; L564-F568 HydrophobicContact CG-CD2 3.88Å; L564-F568 HydrophobicContact CG-CE2 3.68Å; L564-F568 WeakPolarHBondContact O-CD2 3.36Å; L564-F568 PolarHBondContact O-N 3.42Å; I565-F568 PolarHBondContact O-N 2.97Å; F568-R570 VanDerWaalsContact C-N 3.29Å; F568-R570 PolarHBondContact O-N 3.14Å; F568-L571 PolarHBondContact O-N 3.1Å; F568-G572 PolarHBondContact O-N 3.43Å; F568-L598 HydrophobicContact CB-CD2 4.01Å; F568-L598 HydrophobicContact CD1-CD2 3.73Å; F568-L598 HydrophobicContact CE1-CD2 4.32Å; F568-L598 HydrophobicContact CG-CD2 3.88Å; F568-L603 HydrophobicContact CB-CD2 4.39Å |
| 569 | C | 94.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.5 | -41.2 | 178.1 | -67.8 | 0 | 0 | 0 | 0 | 112 | I565 V566 G572 Q573 E619 I620 | I565-C569 PolarHBondContact O-N 3.25Å; I565-C569 PolarHBondContact O-SG 3.4Å; V566-C569 PolarHBondContact O-N 2.93Å; C569-G572 PolarHBondContact O-N 2.81Å; C569-Q573 VanDerWaalsContact O-CB 3.3Å; C569-Q573 WeakPolarHBondContact O-CB 3.16Å; C569-Q573 PolarHBondContact O-N 3.36Å; C569-E619 HydrophobicContact CB-CB 4.4Å; C569-I620 VanDerWaalsContact SG-CG1 3.54Å |
| 570 | R | 94.3 | Very high | 90.6 | Very high | 90 Ų | 90 | 43.3 Ų | 43.3 | 34% | 0.34 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -72.6 | -38.2 | 179.6 | -68.7 | 173.2 | -180 | 179.9 | -0.1 | 113.2 | Y470 V566 K567 F568 Q573 I574 E619 | Y470-R570 HydrophobicContact CE2-CB 4.33Å; Y470-R570 PolarHBondContact OH-NH1 3.08Å; V566-R570 VanDerWaalsContact CG1-CZ 3.48Å; V566-R570 WeakPolarHBondContact O-CG 3.42Å; V566-R570 PolarHBondContact O-N 3.4Å; V566-R570 VanDerWaalsContact O-N 3.09Å; K567-R570 PolarHBondContact O-N 2.86Å; F568-R570 VanDerWaalsContact C-N 3.29Å; F568-R570 PolarHBondContact O-N 3.14Å; R570-Q573 PolarHBondContact O-N 3.45Å; R570-I574 WeakPolarHBondContact O-CG1 3.37Å; R570-I574 PolarHBondContact O-N 2.89Å; R570-I574 VanDerWaalsContact O-N 3.15Å; R570-E619 WeakPolarHBondContact CG-OE2 3.48Å; R570-E619 IonicContact CZ-OE1 3.72Å; R570-E619 IonicContact CZ-OE2 3.26Å; R570-E619 IonicContact NE-OE1 3.19Å; R570-E619 PolarHBondContact NE-OE1 3.13Å; R570-E619 IonicContact NE-OE2 2.74Å; R570-E619 PolarHBondContact NE-OE2 3.09Å; R570-E619 IonicContact NH2-OE1 3.69Å; R570-E619 PolarHBondContact NH2-OE1 3.19Å; R570-E619 IonicContact NH2-OE2 3.37Å |
| 571 | L | 94 | Very high | 89.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.2 | -46.7 | 171.5 | -75.5 | 173.7 | 0 | 0 | 0 | 111.2 | I466 L469 Y470 A473 F540 L543 K567 F568 I574 Y575 F595 | I466-L571 HydrophobicContact CB-CD1 4.35Å; L469-L571 HydrophobicContact CD2-CD1 4.44Å; L469-L571 HydrophobicContact CD2-CD2 4.11Å; L469-L571 HydrophobicContact CG-CD2 3.88Å; Y470-L571 HydrophobicContact CD2-CD2 4.48Å; Y470-L571 HydrophobicContact CD2-CG 4.2Å; A473-L571 HydrophobicContact CB-CD2 3.99Å; F540-L571 HydrophobicContact CE1-CB 4.2Å; F540-L571 HydrophobicContact CE1-CD2 4.09Å; F540-L571 WeakPolarHBondContact CE1-O 2.99Å; F540-L571 HydrophobicContact CZ-CD2 4.42Å; L543-L571 HydrophobicContact CD1-CD1 4.46Å; L543-L571 HydrophobicContact CD2-CD1 4.32Å; K567-L571 WeakPolarHBondContact O-CG 3.49Å; K567-L571 PolarHBondContact O-N 3.34Å; K567-L571 VanDerWaalsContact O-N 3.12Å; F568-L571 PolarHBondContact O-N 3.1Å; L571-I574 PolarHBondContact O-N 3.45Å; L571-Y575 PolarHBondContact O-N 2.74Å; L571-F595 HydrophobicContact CB-CE1 4.47Å; L571-F595 HydrophobicContact CB-CZ 4.18Å |
| 572 | G | 93 | Very high | 87.8 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.5 | -36.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | F568 C569 I574 Y575 L576 F595 | F568-G572 PolarHBondContact O-N 3.43Å; C569-G572 PolarHBondContact O-N 2.81Å; G572-I574 VanDerWaalsContact C-N 3.35Å; G572-I574 PolarHBondContact O-N 2.98Å; G572-Y575 PolarHBondContact O-N 3.11Å; G572-L576 VanDerWaalsContact O-CB 3.31Å; G572-L576 WeakPolarHBondContact O-CB 3.48Å; G572-L576 WeakPolarHBondContact O-CG 3.14Å; G572-L576 PolarHBondContact O-N 2.97Å; G572-F595 VanDerWaalsContact CA-CZ 3.44Å |
| 573 | Q | 93.6 | Very high | 86.2 | Confident | 54 Ų | 54 | 50.5 Ų | 50.5 | 25% | 0.252 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -55.6 | -48.6 | 173.4 | -179.8 | -170.4 | -34.9 | 0 | 0 | 111.4 | C569 R570 S577 Q622 M623 F626 | C569-Q573 VanDerWaalsContact O-CB 3.3Å; C569-Q573 WeakPolarHBondContact O-CB 3.16Å; C569-Q573 PolarHBondContact O-N 3.36Å; R570-Q573 PolarHBondContact O-N 3.45Å; Q573-S577 VanDerWaalsContact O-CB 3.28Å; Q573-S577 WeakPolarHBondContact O-CB 3.24Å; Q573-S577 PolarHBondContact O-N 3.36Å; Q573-S577 PolarHBondContact O-OG 2.99Å; Q573-Q622 HydrophobicContact CG-CB 4.25Å; Q573-M623 HydrophobicContact CB-CB 4.45Å; Q573-F626 HydrophobicContact CG-CE2 3.97Å |
| 574 | I | 91.9 | Very high | 84.5 | Confident | 41 Ų | 41 | 57 Ų | 57 | 21% | 0.21 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.4 | -57.4 | 179.5 | -68.3 | 168 | 0 | 0 | 0 | 109.5 | A473 C474 F540 R570 L571 G572 L576 S577 E578 | A473-I574 HydrophobicContact CB-CD1 3.93Å; A473-I574 WeakPolarHBondContact O-CD1 3.31Å; C474-I574 VanDerWaalsContact SG-CD1 3.55Å; F540-I574 HydrophobicContact CZ-CG2 4.28Å; R570-I574 WeakPolarHBondContact O-CG1 3.37Å; R570-I574 PolarHBondContact O-N 2.89Å; R570-I574 VanDerWaalsContact O-N 3.15Å; L571-I574 PolarHBondContact O-N 3.45Å; G572-I574 VanDerWaalsContact C-N 3.35Å; G572-I574 PolarHBondContact O-N 2.98Å; I574-L576 PolarHBondContact O-N 2.97Å; I574-S577 PolarHBondContact O-N 3.19Å; I574-S577 VanDerWaalsContact O-N 3.13Å; I574-S577 PolarHBondContact O-OG 2.71Å; I574-E578 PolarHBondContact O-N 2.7Å |
| 575 | Y | 91.2 | Very high | 82.8 | Confident | 25 Ų | 25 | 60.7 Ų | 60.7 | 10% | 0.098 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57 | -44.8 | -177.1 | 176.6 | -96.1 | 0 | 0 | 0 | 113 | F540 L571 G572 E578 Q579 V591 F595 | F540-Y575 HydrophobicContact CB-CD2 4.25Å; F540-Y575 HydrophobicContact CD1-CD2 4.47Å; F540-Y575 HydrophobicContact CD2-CD2 4.29Å; F540-Y575 HydrophobicContact CG-CD2 4.11Å; L571-Y575 PolarHBondContact O-N 2.74Å; G572-Y575 PolarHBondContact O-N 3.11Å; Y575-E578 PolarHBondContact O-N 2.88Å; Y575-Q579 HydrophobicContact CD1-CG 4.42Å; Y575-Q579 HydrophobicContact CE1-CG 3.84Å; Y575-Q579 HydrophobicContact CE2-CG 3.97Å; Y575-Q579 WeakPolarHBondContact O-CG 3.31Å; Y575-Q579 PolarHBondContact O-N 3.48Å; Y575-V591 HydrophobicContact CD1-CG1 3.74Å; Y575-V591 HydrophobicContact CD2-CG1 3.77Å; Y575-V591 HydrophobicContact CE1-CB 3.89Å; Y575-V591 HydrophobicContact CE1-CG1 3.61Å; Y575-V591 HydrophobicContact CE2-CB 3.88Å; Y575-V591 HydrophobicContact CE2-CG1 3.62Å; Y575-V591 HydrophobicContact CE2-CG2 4.45Å; Y575-V591 HydrophobicContact CG-CG1 3.84Å; Y575-F595 AromaticContact CD1-CD2 3.94Å; Y575-F595 HydrophobicContact CD1-CD2 3.94Å; Y575-F595 HydrophobicContact CD1-CE2 4.1Å; Y575-F595 HydrophobicContact CG-CD2 4.48Å; Y575-F595 HydrophobicContact CG-CE2 4.18Å |
| 576 | L | 90.4 | Very high | 81.1 | Confident | 4 Ų | 4 | 68.8 Ų | 68.8 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -70.8 | -31.4 | -179.6 | -64.4 | 174.3 | 0 | 0 | 0 | 112.6 | G572 I574 Q579 Q580 Y592 M623 F626 M627 | G572-L576 VanDerWaalsContact O-CB 3.31Å; G572-L576 WeakPolarHBondContact O-CB 3.48Å; G572-L576 WeakPolarHBondContact O-CG 3.14Å; G572-L576 PolarHBondContact O-N 2.97Å; I574-L576 PolarHBondContact O-N 2.97Å; L576-Q579 PolarHBondContact O-N 3.29Å; L576-Q580 PolarHBondContact O-N 2.93Å; L576-Y592 HydrophobicContact CD2-CD2 3.49Å; L576-Y592 VanDerWaalsContact CD2-CD2 3.49Å; L576-Y592 HydrophobicContact CD2-CE2 3.61Å; L576-Y592 HydrophobicContact CD2-CG 4.45Å; L576-M623 HydrophobicContact CD1-CG 3.61Å; L576-F626 HydrophobicContact CB-CB 3.8Å; L576-F626 HydrophobicContact CB-CG 4.47Å; L576-M627 HydrophobicContact CD1-CE 3.54Å; L576-M627 HydrophobicContact CD1-CG 4.15Å; L576-M627 HydrophobicContact CD2-CE 4.2Å |
| 577 | S | 89.5 | Confident | 79.8 | Confident | 49 Ų | 49 | 76.1 Ų | 76.1 | 34% | 0.343 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.5 | -36.3 | 175.8 | 73.6 | 0 | 0 | 0 | 0 | 112.6 | Q573 I574 F626 | Q573-S577 VanDerWaalsContact O-CB 3.28Å; Q573-S577 WeakPolarHBondContact O-CB 3.24Å; Q573-S577 PolarHBondContact O-N 3.36Å; Q573-S577 PolarHBondContact O-OG 2.99Å; I574-S577 PolarHBondContact O-N 3.19Å; I574-S577 VanDerWaalsContact O-N 3.13Å; I574-S577 PolarHBondContact O-OG 2.71Å; S577-F626 VanDerWaalsContact CB-CZ 3.47Å |
| 578 | E | 85.3 | Confident | 79.1 | Confident | 121 Ų | 121 | 79.5 Ų | 79.5 | 57% | 0.565 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -70.3 | -37.1 | 175.1 | -66.5 | 177.4 | 171.7 | 0 | 0 | 111.9 | I574 Y575 Q580 | I574-E578 PolarHBondContact O-N 2.7Å; Y575-E578 PolarHBondContact O-N 2.88Å; E578-Q580 VanDerWaalsContact C-N 3.33Å; E578-Q580 PolarHBondContact O-N 3.4Å |
| 579 | Q | 77.3 | Confident | 78.5 | Confident | 47 Ų | 47 | 81.1 Ų | 81.1 | 22% | 0.22 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -78.3 | -10.1 | -176.8 | -66.3 | -60.5 | -20.1 | 0 | 0 | 115 | Y575 L576 Q581 N582 L583 | Y575-Q579 HydrophobicContact CD1-CG 4.42Å; Y575-Q579 HydrophobicContact CE1-CG 3.84Å; Y575-Q579 HydrophobicContact CE2-CG 3.97Å; Y575-Q579 WeakPolarHBondContact O-CG 3.31Å; Y575-Q579 PolarHBondContact O-N 3.48Å; L576-Q579 PolarHBondContact O-N 3.29Å; Q579-Q581 PolarHBondContact O-N 2.95Å; Q579-N582 PolarHBondContact O-N 2.86Å; Q579-N582 PolarHBondContact OE1-ND2 3.24Å; Q579-N582 VanDerWaalsContact OE1-ND2 3.09Å; Q579-L583 HydrophobicContact CB-CD1 3.8Å; Q579-L583 VanDerWaalsContact O-CD1 3.26Å; Q579-L583 WeakPolarHBondContact O-CD1 3.35Å; Q579-L583 PolarHBondContact O-N 3.46Å |
| 580 | Q | 69 | Low | 78.3 | Confident | 117 Ų | 117 | 86.6 Ų | 86.6 | 55% | 0.547 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -28.6 | -173.9 | -167.4 | 178.8 | 3.6 | 0 | 0 | 113.7 | L576 E578 | L576-Q580 PolarHBondContact O-N 2.93Å; E578-Q580 VanDerWaalsContact C-N 3.33Å; E578-Q580 PolarHBondContact O-N 3.4Å |
| 581 | Q | 62.6 | Low | 78.1 | Confident | 177 Ų | 177 | 82.7 Ų | 82.7 | 83% | 0.827 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -29.7 | 175.7 | -59.5 | -173.5 | 9.3 | 0 | 0 | 113.4 | Q579 | Q579-Q581 PolarHBondContact O-N 2.95Š|
| 582 | N | 60.6 | Low | 78 | Confident | 99 Ų | 99 | 83.2 Ų | 83.2 | 53% | 0.529 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -17.6 | -173.1 | -66 | -30.1 | 0 | 0 | 0 | 114 | Q579 R584 S585 | Q579-N582 PolarHBondContact O-N 2.86Å; Q579-N582 PolarHBondContact OE1-ND2 3.24Å; Q579-N582 VanDerWaalsContact OE1-ND2 3.09Å; N582-R584 PolarHBondContact O-N 3.06Å; N582-S585 PolarHBondContact O-N 2.98Å; N582-S585 VanDerWaalsContact O-N 3.07Å |
| 583 | L | 60 | Low | 78 | Confident | 69 Ų | 69 | 87 Ų | 87 | 36% | 0.361 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -3.4 | -179.2 | -103.7 | 76.2 | 0 | 0 | 0 | 115.1 | Q579 S585 Y592 P628 | Q579-L583 HydrophobicContact CB-CD1 3.8Å; Q579-L583 VanDerWaalsContact O-CD1 3.26Å; Q579-L583 WeakPolarHBondContact O-CD1 3.35Å; Q579-L583 PolarHBondContact O-N 3.46Å; L583-S585 PolarHBondContact O-N 3.42Å; L583-Y592 HydrophobicContact CD1-CD2 4.31Å; L583-Y592 HydrophobicContact CD1-CE2 4.27Å; L583-Y592 HydrophobicContact CD2-CE2 3.93Å; L583-P628 HydrophobicContact CD2-CG 3.84Å |
| 584 | R | 56.5 | Low | 78 | Confident | 244 Ų | 244 | 84.8 Ų | 84.8 | 92% | 0.921 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | 0.8 | 170.6 | -66 | -176.1 | 175.2 | -173.9 | -1.5 | 114.2 | N582 | N582-R584 PolarHBondContact O-N 3.06Š|
| 585 | S | 56.9 | Low | 78.1 | Confident | 77 Ų | 77 | 82.9 Ų | 82.9 | 54% | 0.538 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -104 | 131.1 | 172.5 | -178.2 | 0 | 0 | 0 | 0 | 110.3 | N582 L583 K587 | N582-S585 PolarHBondContact O-N 2.98Å; N582-S585 VanDerWaalsContact O-N 3.07Å; L583-S585 PolarHBondContact O-N 3.42Å; S585-K587 PolarHBondContact O-N 3.4Å |
| 586 | D | 58.9 | Low | 78.2 | Confident | 171 Ų | 171 | 82.4 Ų | 82.4 | 91% | 0.914 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -60.9 | 5 | -172.4 | -60.3 | -42.8 | 0 | 0 | 0 | 116.6 | ||
| 587 | K | 68.1 | Low | 78.4 | Confident | 186 Ų | 186 | 85.1 Ų | 85.1 | 81% | 0.809 | 43% | 0.426 | S | S | * | . | trans | -109.2 | 92.5 | -174.2 | -68.3 | -173.9 | 178 | -178.6 | 0 | 111 | S585 G589 | S585-K587 PolarHBondContact O-N 3.4Å; K587-G589 PolarHBondContact O-N 2.8Å | ||
| 588 | I | 77.6 | Confident | 78.6 | Confident | 99 Ų | 99 | 82.8 Ų | 82.8 | 51% | 0.508 | 41% | 0.41 | S | S | . | . | trans | -59.9 | 121.6 | 169.3 | -59.1 | 176 | 0 | 0 | 0 | 108.9 | Y592 | I588-Y592 HydrophobicContact CG2-CD1 3.64Å; I588-Y592 HydrophobicContact CG2-CG 4.15Å | ||
| 589 | G | 83.5 | Confident | 79.1 | Confident | 33 Ų | 33 | 77 Ų | 77 | 34% | 0.34 | 38% | 0.383 | S | S | . | . | trans | -79 | 151.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | K587 V591 Y592 Q593 | K587-G589 PolarHBondContact O-N 2.8Å; G589-V591 PolarHBondContact O-N 3.02Å; G589-V591 VanDerWaalsContact O-N 3.12Å; G589-Y592 WeakPolarHBondContact O-CB 3.47Å; G589-Y592 PolarHBondContact O-N 2.9Å; G589-Q593 PolarHBondContact O-N 3.04Å | ||
| 590 | I | 90.1 | Very high | 79.8 | Confident | 115 Ų | 115 | 75.4 Ų | 75.4 | 59% | 0.59 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -49.1 | -40.7 | 179 | -80.8 | 172.8 | 0 | 0 | 0 | 112.6 | A544 Q593 G594 | A544-I590 HydrophobicContact CB-CG2 3.99Å; I590-Q593 PolarHBondContact O-N 3.12Å; I590-G594 PolarHBondContact O-N 2.91Å |
| 591 | V | 90.9 | Very high | 80.8 | Confident | 8 Ų | 8 | 73.3 Ų | 73.3 | 5% | 0.048 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.6 | -38.4 | 179.8 | -175.1 | 0 | 0 | 0 | 0 | 112.4 | F540 V541 A544 Y575 G589 G594 F595 | F540-V591 HydrophobicContact CB-CG1 3.89Å; F540-V591 HydrophobicContact CB-CG2 4.34Å; F540-V591 VanDerWaalsContact O-CG2 3.27Å; F540-V591 WeakPolarHBondContact O-CG2 3.37Å; V541-V591 HydrophobicContact CG2-CG2 4.1Å; A544-V591 HydrophobicContact CB-CB 4.29Å; A544-V591 HydrophobicContact CB-CG2 4.07Å; Y575-V591 HydrophobicContact CD1-CG1 3.74Å; Y575-V591 HydrophobicContact CD2-CG1 3.77Å; Y575-V591 HydrophobicContact CE1-CB 3.89Å; Y575-V591 HydrophobicContact CE1-CG1 3.61Å; Y575-V591 HydrophobicContact CE2-CB 3.88Å; Y575-V591 HydrophobicContact CE2-CG1 3.62Å; Y575-V591 HydrophobicContact CE2-CG2 4.45Å; Y575-V591 HydrophobicContact CG-CG1 3.84Å; G589-V591 PolarHBondContact O-N 3.02Å; G589-V591 VanDerWaalsContact O-N 3.12Å; V591-G594 PolarHBondContact O-N 3.45Å; V591-F595 HydrophobicContact CG1-CD2 3.92Å; V591-F595 HydrophobicContact CG1-CE2 3.76Å; V591-F595 WeakPolarHBondContact O-CD2 3.23Å; V591-F595 PolarHBondContact O-N 2.91Å |
| 592 | Y | 92.1 | Very high | 82.3 | Confident | 12 Ų | 12 | 64.9 Ų | 64.9 | 5% | 0.047 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.3 | -44.5 | 174.2 | -173.7 | -76.1 | 0 | 0 | 0 | 110.4 | L576 L583 I588 G589 G594 F595 F596 M627 H631 | L576-Y592 HydrophobicContact CD2-CD2 3.49Å; L576-Y592 VanDerWaalsContact CD2-CD2 3.49Å; L576-Y592 HydrophobicContact CD2-CE2 3.61Å; L576-Y592 HydrophobicContact CD2-CG 4.45Å; L583-Y592 HydrophobicContact CD1-CD2 4.31Å; L583-Y592 HydrophobicContact CD1-CE2 4.27Å; L583-Y592 HydrophobicContact CD2-CE2 3.93Å; I588-Y592 HydrophobicContact CG2-CD1 3.64Å; I588-Y592 HydrophobicContact CG2-CG 4.15Å; G589-Y592 WeakPolarHBondContact O-CB 3.47Å; G589-Y592 PolarHBondContact O-N 2.9Å; Y592-G594 VanDerWaalsContact C-N 3.31Å; Y592-G594 PolarHBondContact O-N 3.05Å; Y592-F595 PolarHBondContact O-N 3.19Å; Y592-F596 HydrophobicContact CE1-CD2 4.43Å; Y592-F596 WeakPolarHBondContact O-CB 3.45Å; Y592-F596 PolarHBondContact O-N 2.9Å; Y592-M627 HydrophobicContact CE2-CG 4.43Å; Y592-M627 WeakPolarHBondContact OH-CG 3.32Å; Y592-M627 PolarHBondContact OH-SD 2.86Å; Y592-H631 AromaticContact CE1-ND1 3.89Å; Y592-H631 AromaticContact CZ-ND1 3.71Å; Y592-H631 PolarHBondContact OH-ND1 2.85Å |
| 593 | Q | 92.2 | Very high | 83.9 | Confident | 80 Ų | 80 | 60.2 Ų | 60.2 | 37% | 0.374 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.4 | -37.5 | 176.2 | -167.4 | 63.1 | 54 | 0 | 0 | 111.8 | G589 I590 F596 N597 | G589-Q593 PolarHBondContact O-N 3.04Å; I590-Q593 PolarHBondContact O-N 3.12Å; Q593-F596 PolarHBondContact O-N 3.16Å; Q593-N597 PolarHBondContact NE2-OD1 3.29Å; Q593-N597 WeakPolarHBondContact O-CB 3.35Å; Q593-N597 VanDerWaalsContact O-CG 3.26Å; Q593-N597 PolarHBondContact O-N 3.14Å; Q593-N597 PolarHBondContact O-OD1 3.4Å; Q593-N597 VanDerWaalsContact O-OD1 3.14Å |
| 594 | G | 92.9 | Very high | 85.5 | Confident | 7 Ų | 7 | 56.9 Ų | 56.9 | 7% | 0.072 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.1 | -53.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I548 I590 V591 Y592 F596 N597 L598 | I548-G594 WeakPolarHBondContact CG2-O 3.48Å; I590-G594 PolarHBondContact O-N 2.91Å; V591-G594 PolarHBondContact O-N 3.45Å; Y592-G594 VanDerWaalsContact C-N 3.31Å; Y592-G594 PolarHBondContact O-N 3.05Å; G594-F596 VanDerWaalsContact C-N 3.3Å; G594-F596 PolarHBondContact O-N 3.39Å; G594-N597 PolarHBondContact O-N 2.88Å; G594-L598 WeakPolarHBondContact O-CB 3.23Å; G594-L598 PolarHBondContact O-N 2.95Å |
| 595 | F | 94.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65 | -30.9 | 176.9 | -76.8 | -65.7 | 0 | 0 | 0 | 113.4 | F540 L543 I548 L571 G572 Y575 V591 Y592 L598 L599 M623 | F540-F595 HydrophobicContact CD1-CE2 4.23Å; F540-F595 HydrophobicContact CD1-CZ 4.36Å; F540-F595 HydrophobicContact CE1-CZ 4.48Å; L543-F595 HydrophobicContact CD2-CE1 4.42Å; L543-F595 HydrophobicContact CD2-CE2 4.36Å; L543-F595 HydrophobicContact CD2-CZ 3.69Å; I548-F595 HydrophobicContact CD1-CD1 4.39Å; I548-F595 HydrophobicContact CD1-CE1 4.47Å; L571-F595 HydrophobicContact CB-CE1 4.47Å; L571-F595 HydrophobicContact CB-CZ 4.18Å; G572-F595 VanDerWaalsContact CA-CZ 3.44Å; Y575-F595 AromaticContact CD1-CD2 3.94Å; Y575-F595 HydrophobicContact CD1-CD2 3.94Å; Y575-F595 HydrophobicContact CD1-CE2 4.1Å; Y575-F595 HydrophobicContact CG-CD2 4.48Å; Y575-F595 HydrophobicContact CG-CE2 4.18Å; V591-F595 HydrophobicContact CG1-CD2 3.92Å; V591-F595 HydrophobicContact CG1-CE2 3.76Å; V591-F595 WeakPolarHBondContact O-CD2 3.23Å; V591-F595 PolarHBondContact O-N 2.91Å; Y592-F595 PolarHBondContact O-N 3.19Å; F595-L598 HydrophobicContact CD1-CD2 4.18Å; F595-L598 HydrophobicContact CE1-CD2 4.44Å; F595-L599 WeakPolarHBondContact O-CB 3.29Å; F595-L599 PolarHBondContact O-N 3.48Å; F595-M623 HydrophobicContact CD1-SD 4.29Å |
| 596 | F | 94.2 | Very high | 88.9 | Confident | 16 Ų | 16 | 41.8 Ų | 41.8 | 7% | 0.07 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.9 | -49.5 | 172.8 | -171.5 | -81.5 | 0 | 0 | 0 | 111.6 | Y592 Q593 G594 L598 L599 D600 M627 H631 R634 L635 | Y592-F596 HydrophobicContact CE1-CD2 4.43Å; Y592-F596 WeakPolarHBondContact O-CB 3.45Å; Y592-F596 PolarHBondContact O-N 2.9Å; Q593-F596 PolarHBondContact O-N 3.16Å; G594-F596 VanDerWaalsContact C-N 3.3Å; G594-F596 PolarHBondContact O-N 3.39Å; F596-L598 VanDerWaalsContact C-N 3.33Å; F596-L598 PolarHBondContact O-N 3.2Å; F596-L599 WeakPolarHBondContact O-CB 3.3Å; F596-L599 PolarHBondContact O-N 3.27Å; F596-D600 WeakPolarHBondContact O-CB 3.42Å; F596-D600 PolarHBondContact O-N 2.85Å; F596-D600 VanDerWaalsContact O-N 3.08Å; F596-M627 HydrophobicContact CD2-SD 4.43Å; F596-H631 HydrophobicContact CE2-CB 4.24Å; F596-R634 HydrophobicContact CZ-CG 4.28Å; F596-L635 HydrophobicContact CD1-CD2 4.1Å; F596-L635 HydrophobicContact CD2-CD1 4.11Å; F596-L635 HydrophobicContact CD2-CD2 4.18Å; F596-L635 HydrophobicContact CD2-CG 4.21Å; F596-L635 HydrophobicContact CE1-CD2 3.69Å; F596-L635 HydrophobicContact CE1-CG 4.36Å; F596-L635 HydrophobicContact CE2-CD1 3.91Å; F596-L635 HydrophobicContact CE2-CD2 3.8Å; F596-L635 HydrophobicContact CE2-CG 3.6Å; F596-L635 HydrophobicContact CG-CD2 4.32Å; F596-L635 HydrophobicContact CZ-CD1 4.47Å; F596-L635 HydrophobicContact CZ-CD2 3.53Å; F596-L635 HydrophobicContact CZ-CG 3.68Å |
| 597 | N | 93.8 | Very high | 90.5 | Very high | 61 Ų | 61 | 33.7 Ų | 33.7 | 33% | 0.326 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -63.4 | -39.2 | 177.5 | -67.8 | 11.5 | 0 | 0 | 0 | 111.9 | I552 Q593 G594 L599 D600 E601 | I552-N597 HydrophobicContact CD1-CB 4.13Å; Q593-N597 PolarHBondContact NE2-OD1 3.29Å; Q593-N597 WeakPolarHBondContact O-CB 3.35Å; Q593-N597 VanDerWaalsContact O-CG 3.26Å; Q593-N597 PolarHBondContact O-N 3.14Å; Q593-N597 PolarHBondContact O-OD1 3.4Å; Q593-N597 VanDerWaalsContact O-OD1 3.14Å; G594-N597 PolarHBondContact O-N 2.88Å; N597-L599 VanDerWaalsContact C-N 3.32Å; N597-L599 PolarHBondContact O-N 3.38Å; N597-D600 PolarHBondContact O-N 3.44Å; N597-E601 PolarHBondContact O-N 2.97Å |
| 598 | L | 94.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64 | -36.9 | 176.5 | -171.7 | 69.7 | 0 | 0 | 0 | 111.8 | I548 A551 F568 G594 F595 F596 V602 L603 | I548-L598 HydrophobicContact CD1-CD2 4.36Å; I548-L598 HydrophobicContact CG1-CD2 4.36Å; I548-L598 HydrophobicContact CG2-CB 4.16Å; I548-L598 HydrophobicContact CG2-CD1 4.44Å; A551-L598 HydrophobicContact CB-CD1 3.75Å; F568-L598 HydrophobicContact CB-CD2 4.01Å; F568-L598 HydrophobicContact CD1-CD2 3.73Å; F568-L598 HydrophobicContact CE1-CD2 4.32Å; F568-L598 HydrophobicContact CG-CD2 3.88Å; G594-L598 WeakPolarHBondContact O-CB 3.23Å; G594-L598 PolarHBondContact O-N 2.95Å; F595-L598 HydrophobicContact CD1-CD2 4.18Å; F595-L598 HydrophobicContact CE1-CD2 4.44Å; F596-L598 VanDerWaalsContact C-N 3.33Å; F596-L598 PolarHBondContact O-N 3.2Å; L598-V602 HydrophobicContact CD1-CB 4.05Å; L598-V602 HydrophobicContact CD1-CG1 4.33Å; L598-V602 HydrophobicContact CD1-CG2 4.06Å; L598-V602 WeakPolarHBondContact O-CB 3.34Å; L598-V602 PolarHBondContact O-N 3.32Å; L598-L603 HydrophobicContact CD2-CD1 4.03Å; L598-L603 HydrophobicContact CG-CD1 3.87Å; L598-L603 HydrophobicContact CG-CG 4.03Å; L598-L603 WeakPolarHBondContact O-CG 3.25Å; L598-L603 PolarHBondContact O-N 3.03Å |
| 599 | L | 94.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | I | π-helix | trans | -64.7 | -44 | 172.5 | -91.9 | 160.1 | 0 | 0 | 0 | 112.4 | F595 F596 N597 L603 L604 I620 M623 L624 M627 L635 | F595-L599 WeakPolarHBondContact O-CB 3.29Å; F595-L599 PolarHBondContact O-N 3.48Å; F596-L599 WeakPolarHBondContact O-CB 3.3Å; F596-L599 PolarHBondContact O-N 3.27Å; N597-L599 VanDerWaalsContact C-N 3.32Å; N597-L599 PolarHBondContact O-N 3.38Å; L599-L603 HydrophobicContact CD2-CD1 4.43Å; L599-L603 HydrophobicContact CG-CD1 4.36Å; L599-L604 HydrophobicContact CD2-CD1 4.38Å; L599-L604 HydrophobicContact CD2-CD2 4.46Å; L599-L604 HydrophobicContact CD2-CG 4.12Å; L599-L604 VanDerWaalsContact O-CB 3.29Å; L599-L604 WeakPolarHBondContact O-CB 3.24Å; L599-L604 VanDerWaalsContact O-CG 3.28Å; L599-L604 WeakPolarHBondContact O-CG 3.19Å; L599-L604 PolarHBondContact O-N 2.9Å; L599-L604 VanDerWaalsContact O-N 3.07Å; L599-I620 HydrophobicContact CD2-CG2 4.26Å; L599-M623 HydrophobicContact CD1-CE 3.94Å; L599-M623 HydrophobicContact CD2-CE 3.7Å; L599-M623 HydrophobicContact CG-CE 3.74Å; L599-L624 HydrophobicContact CD1-CD2 3.62Å; L599-L624 HydrophobicContact CD1-CG 4.31Å; L599-L624 HydrophobicContact CD2-CD1 4.35Å; L599-L624 HydrophobicContact CD2-CD2 3.97Å; L599-L624 HydrophobicContact CD2-CG 4.06Å; L599-L624 HydrophobicContact CG-CD2 4.42Å; L599-M627 HydrophobicContact CD1-CE 3.55Å; L599-M627 HydrophobicContact CD1-SD 4.2Å; L599-L635 HydrophobicContact CB-CD1 4.09Å; L599-L635 HydrophobicContact CB-CD2 4.21Å; L599-L635 HydrophobicContact CD1-CD1 4.03Å |
| 600 | D | 93 | Very high | 92.6 | Very high | 13 Ų | 13 | 20.9 Ų | 20.9 | 7% | 0.07 | 11% | 0.107 | C | C | . | . | I | π-helix | trans | -70 | -57.7 | -174.3 | -162.8 | 2.9 | 0 | 0 | 0 | 112.9 | F596 N597 P605 L635 Q638 N643 | F596-D600 WeakPolarHBondContact O-CB 3.42Å; F596-D600 PolarHBondContact O-N 2.85Å; F596-D600 VanDerWaalsContact O-N 3.08Å; N597-D600 PolarHBondContact O-N 3.44Å; D600-P605 WeakPolarHBondContact O-CD 3.28Å; D600-P605 WeakPolarHBondContact O-CG 3.49Å; D600-L635 HydrophobicContact CB-CD2 3.74Å; D600-Q638 WeakPolarHBondContact OD1-CB 3.43Å; D600-Q638 PolarHBondContact OD1-NE2 3.47Å; D600-Q638 PolarHBondContact OD2-NE2 3.01Å; D600-N643 PolarHBondContact O-ND2 3.38Å; D600-N643 PolarHBondContact OD1-ND2 3.23Å |
| 601 | E | 90.2 | Very high | 92.3 | Very high | 73 Ų | 73 | 19.6 Ų | 19.6 | 34% | 0.341 | 10% | 0.101 | S | C | . | . | I | π-helix | trans | -84.2 | -26.9 | -173.7 | -68.1 | -69.3 | 171 | 0 | 0 | 113.5 | Y446 I552 G555 N597 P605 | Y446-E601 PolarHBondContact OH-OE2 3.03Å; I552-E601 HydrophobicContact CG2-CB 4.37Å; G555-E601 CarbonylContact C-O 3.58Å; G555-E601 WeakPolarHBondContact CA-O 3.45Å; N597-E601 PolarHBondContact O-N 2.97Å; E601-P605 WeakPolarHBondContact O-CG 3.39Å |
| 602 | V | 93.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | I | π-helix | trans | -117.5 | -66.3 | -167.6 | -174.5 | 0 | 0 | 0 | 0 | 112.8 | A551 I552 G555 M558 L598 S606 | A551-V602 WeakPolarHBondContact O-CG2 3.24Å; I552-V602 HydrophobicContact CG1-CG2 4.2Å; G555-V602 WeakPolarHBondContact O-CA 3.3Å; G555-V602 WeakPolarHBondContact O-CG1 3.39Å; M558-V602 HydrophobicContact CB-CG1 3.82Å; M558-V602 HydrophobicContact CE-CG1 3.62Å; M558-V602 HydrophobicContact CG-CG1 4.41Å; M558-V602 HydrophobicContact SD-CG1 3.79Å; L598-V602 HydrophobicContact CD1-CB 4.05Å; L598-V602 HydrophobicContact CD1-CG1 4.33Å; L598-V602 HydrophobicContact CD1-CG2 4.06Å; L598-V602 WeakPolarHBondContact O-CB 3.34Å; L598-V602 PolarHBondContact O-N 3.32Å; V602-S606 WeakPolarHBondContact O-CB 3.28Å; V602-S606 PolarHBondContact O-N 2.93Å; V602-S606 PolarHBondContact O-OG 3.32Å |
| 603 | L | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | I | π-helix | trans | -72.3 | -42 | -164.1 | -57.2 | 169 | 0 | 0 | 0 | 112.9 | M558 I565 F568 L598 L599 L607 M623 | M558-L603 HydrophobicContact SD-CD2 4.13Å; I565-L603 HydrophobicContact CB-CD2 4.4Å; I565-L603 HydrophobicContact CG1-CD2 4.48Å; I565-L603 HydrophobicContact CG2-CD2 3.87Å; F568-L603 HydrophobicContact CB-CD2 4.39Å; L598-L603 HydrophobicContact CD2-CD1 4.03Å; L598-L603 HydrophobicContact CG-CD1 3.87Å; L598-L603 HydrophobicContact CG-CG 4.03Å; L598-L603 WeakPolarHBondContact O-CG 3.25Å; L598-L603 PolarHBondContact O-N 3.03Å; L599-L603 HydrophobicContact CD2-CD1 4.43Å; L599-L603 HydrophobicContact CG-CD1 4.36Å; L603-L607 WeakPolarHBondContact O-CB 3.31Å; L603-L607 PolarHBondContact O-N 3.23Å; L603-M623 HydrophobicContact CD1-CE 3.74Å |
| 604 | L | 93.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -72.9 | -43.5 | 176.7 | -64.2 | 172.9 | 0 | 0 | 0 | 112.2 | L599 S606 L607 S608 I620 L635 W639 | L599-L604 HydrophobicContact CD2-CD1 4.38Å; L599-L604 HydrophobicContact CD2-CD2 4.46Å; L599-L604 HydrophobicContact CD2-CG 4.12Å; L599-L604 VanDerWaalsContact O-CB 3.29Å; L599-L604 WeakPolarHBondContact O-CB 3.24Å; L599-L604 VanDerWaalsContact O-CG 3.28Å; L599-L604 WeakPolarHBondContact O-CG 3.19Å; L599-L604 PolarHBondContact O-N 2.9Å; L599-L604 VanDerWaalsContact O-N 3.07Å; L604-S606 VanDerWaalsContact C-N 3.35Å; L604-S606 PolarHBondContact O-N 3.31Å; L604-L607 WeakPolarHBondContact O-CB 3.35Å; L604-L607 PolarHBondContact O-N 3.22Å; L604-S608 PolarHBondContact O-N 2.85Å; L604-I620 HydrophobicContact CD2-CG2 4.02Å; L604-L635 HydrophobicContact CD1-CB 4.14Å; L604-W639 HydrophobicContact CB-CB 4.42Å; L604-W639 HydrophobicContact CB-CD2 3.87Å; L604-W639 HydrophobicContact CB-CE3 4.39Å; L604-W639 HydrophobicContact CB-CG 3.89Å; L604-W639 HydrophobicContact CD1-CB 4.46Å; L604-W639 HydrophobicContact CD1-CD2 4.48Å; L604-W639 HydrophobicContact CD1-CE3 4.34Å; L604-W639 HydrophobicContact CD2-CD2 4.38Å; L604-W639 HydrophobicContact CD2-CE3 4.09Å; L604-W639 HydrophobicContact CD2-CH2 4.21Å; L604-W639 HydrophobicContact CD2-CZ3 4Å; L604-W639 HydrophobicContact CG-CD2 4.47Å; L604-W639 PolarHBondContact O-NE1 2.87Å |
| 605 | P | 91.9 | Very high | 91.8 | Very high | 3 Ų | 3 | 25.5 Ų | 25.5 | 2% | 0.019 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.8 | -39.5 | 170.5 | -29 | 39.4 | 0 | 0 | 0 | 113.7 | P556 D600 E601 S608 N643 L650 | P556-P605 HydrophobicContact CB-CB 3.77Å; D600-P605 WeakPolarHBondContact O-CD 3.28Å; D600-P605 WeakPolarHBondContact O-CG 3.49Å; E601-P605 WeakPolarHBondContact O-CG 3.39Å; P605-S608 WeakPolarHBondContact O-CB 3.22Å; P605-S608 PolarHBondContact O-N 3.08Å; P605-N643 HydrophobicContact CG-CB 4.24Å; P605-L650 HydrophobicContact CB-CD1 4.32Å |
| 606 | S | 92.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.5 | -42.9 | 174.7 | -62.2 | 0 | 0 | 0 | 0 | 111.9 | G555 P556 V602 L604 S608 L609 V610 | G555-S606 PolarHBondContact O-OG 2.88Å; P556-S606 WeakPolarHBondContact O-CA 3.32Å; P556-S606 PolarHBondContact O-OG 3Å; P556-S606 VanDerWaalsContact O-OG 3.04Å; V602-S606 WeakPolarHBondContact O-CB 3.28Å; V602-S606 PolarHBondContact O-N 2.93Å; V602-S606 PolarHBondContact O-OG 3.32Å; L604-S606 VanDerWaalsContact C-N 3.35Å; L604-S606 PolarHBondContact O-N 3.31Å; S606-S608 PolarHBondContact O-N 2.93Å; S606-L609 PolarHBondContact O-N 3.37Å; S606-V610 WeakPolarHBondContact O-CG2 3.32Å; S606-V610 PolarHBondContact O-N 2.66Å; S606-V610 VanDerWaalsContact O-N 3.13Å |
| 607 | L | 93.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.3 | -30.3 | 176.8 | -178.3 | 64 | 0 | 0 | 0 | 112.5 | L603 L604 L616 I620 W639 S686 L719 | L603-L607 WeakPolarHBondContact O-CB 3.31Å; L603-L607 PolarHBondContact O-N 3.23Å; L604-L607 WeakPolarHBondContact O-CB 3.35Å; L604-L607 PolarHBondContact O-N 3.22Å; L607-L616 HydrophobicContact CD1-CB 4.41Å; L607-L616 HydrophobicContact CD1-CD2 4.01Å; L607-L616 HydrophobicContact CD1-CG 4.29Å; L607-I620 HydrophobicContact CB-CD1 4.18Å; L607-I620 HydrophobicContact CD1-CD1 4.3Å; L607-I620 HydrophobicContact CD2-CD1 3.9Å; L607-I620 HydrophobicContact CG-CD1 4.35Å; L607-W639 HydrophobicContact CD2-CH2 3.9Å; L607-W639 HydrophobicContact CD2-CZ2 4.11Å; L607-W639 HydrophobicContact CG-CZ2 4.45Å; L607-S686 WeakPolarHBondContact O-CA 3.41Å; L607-S686 WeakPolarHBondContact O-CB 3.49Å; L607-L719 HydrophobicContact CD2-CD2 3.79Å |
| 608 | S | 91.4 | Very high | 91.7 | Very high | 4 Ų | 4 | 24.1 Ų | 24.1 | 3% | 0.028 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.4 | -35.1 | 174.8 | -81.6 | 0 | 0 | 0 | 0 | 113.8 | L604 P605 S606 W639 R653 S686 N687 | L604-S608 PolarHBondContact O-N 2.85Å; P605-S608 WeakPolarHBondContact O-CB 3.22Å; P605-S608 PolarHBondContact O-N 3.08Å; S606-S608 PolarHBondContact O-N 2.93Å; S608-W639 PolarHBondContact OG-NE1 3.32Å; S608-R653 VanDerWaalsContact O-CG 3.31Å; S608-R653 WeakPolarHBondContact O-CG 3.38Å; S608-R653 PolarHBondContact O-NE 2.93Å; S608-S686 WeakPolarHBondContact CA-O 3.47Å; S608-N687 VanDerWaalsContact CB-OD1 3.26Å; S608-N687 WeakPolarHBondContact CB-OD1 3.37Å; S608-N687 PolarHBondContact O-ND2 3.15Å; S608-N687 PolarHBondContact OG-OD1 3.39Å |
| 609 | L | 90.3 | Very high | 91.7 | Very high | 31 Ų | 31 | 26 Ų | 26 | 16% | 0.162 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -75.3 | -46.5 | 176.6 | -66.8 | -175.4 | 0 | 0 | 0 | 111.4 | P556 S606 D611 L650 R653 | P556-L609 HydrophobicContact CB-CD1 3.93Å; P556-L609 HydrophobicContact CB-CG 4.44Å; S606-L609 PolarHBondContact O-N 3.37Å; L609-D611 PolarHBondContact O-N 2.67Å; L609-L650 HydrophobicContact CD2-CD2 3.73Å; L609-L650 HydrophobicContact CD2-CG 4.3Å; L609-L650 HydrophobicContact CG-CD2 3.84Å; L609-R653 HydrophobicContact CD2-CB 4.38Å; L609-R653 PolarHBondContact O-NE 2.92Å; L609-R653 PolarHBondContact O-NH2 2.8Å |
| 610 | V | 90.3 | Very high | 91.7 | Very high | 14 Ų | 14 | 26 Ų | 26 | 9% | 0.085 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -52.3 | 135.5 | -178.5 | 174.7 | 0 | 0 | 0 | 0 | 112.1 | L562 S606 N613 L616 R653 S686 | L562-V610 HydrophobicContact CD2-CB 4.48Å; L562-V610 HydrophobicContact CD2-CG1 3.96Å; L562-V610 HydrophobicContact CD2-CG2 3.59Å; S606-V610 WeakPolarHBondContact O-CG2 3.32Å; S606-V610 PolarHBondContact O-N 2.66Å; S606-V610 VanDerWaalsContact O-N 3.13Å; V610-N613 HydrophobicContact CG1-CB 4.03Å; V610-L616 HydrophobicContact CB-CD2 4.46Å; V610-L616 HydrophobicContact CG1-CD2 4.08Å; V610-L616 HydrophobicContact CG2-CD2 4.29Å; V610-R653 PolarHBondContact O-NH2 3.13Å; V610-R653 VanDerWaalsContact O-NH2 3.08Å; V610-S686 WeakPolarHBondContact O-CB 3.36Å |
| 611 | D | 83.9 | Confident | 91.8 | Very high | 89 Ų | 89 | 27.5 Ų | 27.5 | 48% | 0.476 | 16% | 0.155 | S | C | . | . | trans | -73.4 | 158.5 | 174.9 | -94.6 | -37.8 | 0 | 0 | 0 | 113 | L609 N613 R653 | L609-D611 PolarHBondContact O-N 2.67Å; D611-N613 VanDerWaalsContact C-N 3.29Å; D611-N613 VanDerWaalsContact O-CB 3.27Å; D611-N613 WeakPolarHBondContact O-CB 3.36Å; D611-N613 PolarHBondContact O-N 3.02Å; D611-R653 IonicContact OD1-CZ 2.7Å; D611-R653 VanDerWaalsContact OD1-CZ 3.3Å; D611-R653 IonicContact OD1-NH1 3.66Å; D611-R653 PolarHBondContact OD1-NH1 3.48Å; D611-R653 IonicContact OD1-NH2 3.58Å; D611-R653 PolarHBondContact OD1-NH2 3.06Å | ||
| 612 | A | 83 | Confident | 92 | Very high | 41 Ų | 41 | 26.4 Ų | 26.4 | 34% | 0.339 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -38.8 | 67.5 | -160.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | K682 | A612-K682 HydrophobicContact CB-CB 3.64Å; A612-K682 HydrophobicContact CB-CD 4.23Å; A612-K682 HydrophobicContact CB-CG 3.84Å; A612-K682 VanDerWaalsContact CB-O 3.24Å; A612-K682 WeakPolarHBondContact CB-O 3.27Å |
| 613 | N | 89.7 | Confident | 92 | Very high | 47 Ų | 47 | 26.4 Ų | 26.4 | 25% | 0.251 | 15% | 0.149 | S | C | . | . | trans | -101.5 | 93 | -172.5 | -172.3 | -15 | 0 | 0 | 0 | 111.5 | V610 D611 C615 L616 A617 | V610-N613 HydrophobicContact CG1-CB 4.03Å; D611-N613 VanDerWaalsContact C-N 3.29Å; D611-N613 VanDerWaalsContact O-CB 3.27Å; D611-N613 WeakPolarHBondContact O-CB 3.36Å; D611-N613 PolarHBondContact O-N 3.02Å; N613-C615 VanDerWaalsContact C-N 3.28Å; N613-C615 PolarHBondContact O-N 2.84Å; N613-C615 WeakPolarHBondContact OD1-CB 3.29Å; N613-C615 PolarHBondContact OD1-N 3.47Å; N613-C615 VanDerWaalsContact OD1-N 3.17Å; N613-L616 HydrophobicContact CB-CB 4.17Å; N613-L616 PolarHBondContact O-N 3.35Å; N613-L616 PolarHBondContact OD1-N 3.04Å; N613-L616 VanDerWaalsContact OD1-N 3.12Å; N613-A617 PolarHBondContact O-N 2.95Å | ||
| 614 | C | 91.9 | Very high | 91.9 | Very high | 48 Ų | 48 | 26.4 Ų | 26.4 | 32% | 0.324 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -58.3 | -38.7 | 176.9 | -171 | 0 | 0 | 0 | 0 | 112.6 | L616 A617 E618 H685 | C614-L616 VanDerWaalsContact C-N 3.35Å; C614-L616 PolarHBondContact O-N 3.39Å; C614-A617 PolarHBondContact O-N 3.17Å; C614-E618 PolarHBondContact O-N 3.37Å; C614-H685 PolarHBondContact SG-CE1 2.81Å |
| 615 | C | 92.6 | Very high | 91.8 | Very high | 94 Ų | 94 | 31.3 Ų | 31.3 | 64% | 0.635 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -64.4 | -39.7 | -176.2 | -51.6 | 0 | 0 | 0 | 0 | 111.8 | N613 E618 E619 | N613-C615 VanDerWaalsContact C-N 3.28Å; N613-C615 PolarHBondContact O-N 2.84Å; N613-C615 WeakPolarHBondContact OD1-CB 3.29Å; N613-C615 PolarHBondContact OD1-N 3.47Å; N613-C615 VanDerWaalsContact OD1-N 3.17Å; C615-E618 PolarHBondContact O-N 3.34Å; C615-E619 WeakPolarHBondContact O-CG 3.43Å; C615-E619 PolarHBondContact O-N 2.85Å |
| 616 | L | 93.5 | Very high | 91.7 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.3 | -40.8 | 177.1 | -164.2 | 66.3 | 0 | 0 | 0 | 111.9 | L562 I565 V566 L607 V610 N613 C614 E618 E619 I620 | L562-L616 HydrophobicContact CD2-CD2 4.15Å; I565-L616 HydrophobicContact CB-CD1 4.21Å; I565-L616 HydrophobicContact CD1-CD2 4.36Å; I565-L616 HydrophobicContact CG2-CD1 3.67Å; I565-L616 HydrophobicContact CG2-CD2 4.42Å; I565-L616 HydrophobicContact CG2-CG 4.29Å; V566-L616 HydrophobicContact CG2-CD1 3.77Å; L607-L616 HydrophobicContact CD1-CB 4.41Å; L607-L616 HydrophobicContact CD1-CD2 4.01Å; L607-L616 HydrophobicContact CD1-CG 4.29Å; V610-L616 HydrophobicContact CB-CD2 4.46Å; V610-L616 HydrophobicContact CG1-CD2 4.08Å; V610-L616 HydrophobicContact CG2-CD2 4.29Å; N613-L616 HydrophobicContact CB-CB 4.17Å; N613-L616 PolarHBondContact O-N 3.35Å; N613-L616 PolarHBondContact OD1-N 3.04Å; N613-L616 VanDerWaalsContact OD1-N 3.12Å; C614-L616 VanDerWaalsContact C-N 3.35Å; C614-L616 PolarHBondContact O-N 3.39Å; L616-E618 VanDerWaalsContact C-N 3.3Å; L616-E618 PolarHBondContact O-N 3.2Å; L616-E619 PolarHBondContact O-N 3.17Å; L616-I620 HydrophobicContact CG-CD1 4.27Å; L616-I620 WeakPolarHBondContact O-CG1 3.41Å; L616-I620 PolarHBondContact O-N 3.49Å |
| 617 | A | 93.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64 | -32.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | N613 C614 W621 H685 L719 | N613-A617 PolarHBondContact O-N 2.95Å; C614-A617 PolarHBondContact O-N 3.17Å; A617-W621 WeakPolarHBondContact O-CB 3.21Å; A617-W621 PolarHBondContact O-N 2.95Å; A617-H685 HydrophobicContact CB-CB 4.46Å; A617-L719 HydrophobicContact CB-CD2 4.18Å |
| 618 | E | 94.4 | Very high | 91.3 | Very high | 46 Ų | 46 | 35.3 Ų | 35.3 | 22% | 0.215 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -75.4 | -36.5 | 173.7 | -67.8 | -60.9 | 150 | 0 | 0 | 113.3 | C614 C615 L616 W621 Q622 S717 S718 | C614-E618 PolarHBondContact O-N 3.37Å; C615-E618 PolarHBondContact O-N 3.34Å; L616-E618 VanDerWaalsContact C-N 3.3Å; L616-E618 PolarHBondContact O-N 3.2Å; E618-W621 WeakPolarHBondContact O-CB 3.37Å; E618-W621 PolarHBondContact O-N 3.33Å; E618-Q622 VanDerWaalsContact O-CG 3.3Å; E618-Q622 WeakPolarHBondContact O-CG 3.35Å; E618-Q622 PolarHBondContact O-N 2.86Å; E618-Q622 PolarHBondContact O-NE2 3.38Å; E618-S717 VanDerWaalsContact OE1-CA 3.32Å; E618-S717 WeakPolarHBondContact OE1-CA 3.3Å; E618-S717 WeakPolarHBondContact OE1-CB 3.33Å; E618-S718 VanDerWaalsContact CD-OG 3.29Å; E618-S718 PolarHBondContact OE1-N 3.15Å; E618-S718 PolarHBondContact OE1-OG 3.43Å; E618-S718 VanDerWaalsContact OE1-OG 3.08Å; E618-S718 VanDerWaalsContact OE2-CB 3.28Å; E618-S718 WeakPolarHBondContact OE2-CB 3.31Å; E618-S718 PolarHBondContact OE2-OG 3.2Å |
| 619 | E | 94.1 | Very high | 91.2 | Very high | 39 Ų | 39 | 37.5 Ų | 37.5 | 18% | 0.182 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.5 | -43.7 | 173.6 | -70.2 | -95.7 | -171.5 | 0 | 0 | 111 | C569 R570 C615 L616 W621 Q622 M623 | C569-E619 HydrophobicContact CB-CB 4.4Å; R570-E619 WeakPolarHBondContact CG-OE2 3.48Å; R570-E619 IonicContact CZ-OE1 3.72Å; R570-E619 IonicContact CZ-OE2 3.26Å; R570-E619 IonicContact NE-OE1 3.19Å; R570-E619 PolarHBondContact NE-OE1 3.13Å; R570-E619 IonicContact NE-OE2 2.74Å; R570-E619 PolarHBondContact NE-OE2 3.09Å; R570-E619 IonicContact NH2-OE1 3.69Å; R570-E619 PolarHBondContact NH2-OE1 3.19Å; R570-E619 IonicContact NH2-OE2 3.37Å; C615-E619 WeakPolarHBondContact O-CG 3.43Å; C615-E619 PolarHBondContact O-N 2.85Å; L616-E619 PolarHBondContact O-N 3.17Å; E619-W621 VanDerWaalsContact C-N 3.29Å; E619-W621 PolarHBondContact O-N 2.69Å; E619-Q622 PolarHBondContact O-N 3.45Å; E619-M623 PolarHBondContact O-N 2.93Å |
| 620 | I | 95.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.2 | -38.3 | 172.3 | -70.9 | 166.1 | 0 | 0 | 0 | 110.7 | C569 L599 L604 L607 L616 M623 L624 L719 | C569-I620 VanDerWaalsContact SG-CG1 3.54Å; L599-I620 HydrophobicContact CD2-CG2 4.26Å; L604-I620 HydrophobicContact CD2-CG2 4.02Å; L607-I620 HydrophobicContact CB-CD1 4.18Å; L607-I620 HydrophobicContact CD1-CD1 4.3Å; L607-I620 HydrophobicContact CD2-CD1 3.9Å; L607-I620 HydrophobicContact CG-CD1 4.35Å; L616-I620 HydrophobicContact CG-CD1 4.27Å; L616-I620 WeakPolarHBondContact O-CG1 3.41Å; L616-I620 PolarHBondContact O-N 3.49Å; I620-M623 PolarHBondContact O-N 2.84Å; I620-L624 HydrophobicContact CG2-CD1 3.79Å; I620-L624 HydrophobicContact CG2-CG 4.4Å; I620-L624 PolarHBondContact O-N 3.4Å; I620-L719 HydrophobicContact CG2-CD2 4.17Å |
| 621 | W | 95 | Very high | 91.2 | Very high | 44 Ų | 44 | 43.6 Ų | 43.6 | 17% | 0.167 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.2 | -38.2 | 173.6 | 178.5 | -112.6 | 0 | 0 | 0 | 113.7 | A617 E618 E619 M623 L624 R625 S718 L719 D722 | A617-W621 WeakPolarHBondContact O-CB 3.21Å; A617-W621 PolarHBondContact O-N 2.95Å; E618-W621 WeakPolarHBondContact O-CB 3.37Å; E618-W621 PolarHBondContact O-N 3.33Å; E619-W621 VanDerWaalsContact C-N 3.29Å; E619-W621 PolarHBondContact O-N 2.69Å; W621-M623 PolarHBondContact O-N 3.24Å; W621-L624 HydrophobicContact CE3-CB 4.29Å; W621-L624 PolarHBondContact O-N 2.59Å; W621-R625 HydrophobicContact CD2-CB 4.41Å; W621-R625 HydrophobicContact CH2-CB 4.47Å; W621-R625 HydrophobicContact CZ2-CB 4.05Å; W621-R625 WeakPolarHBondContact O-CB 3.46Å; W621-R625 WeakPolarHBondContact O-CG 3.47Å; W621-R625 PolarHBondContact O-N 2.72Å; W621-S718 VanDerWaalsContact NE1-CB 3.34Å; W621-L719 HydrophobicContact CB-CB 4.23Å; W621-L719 HydrophobicContact CE3-CD1 4.27Å; W621-D722 HydrophobicContact CH2-CB 3.87Å; W621-D722 HydrophobicContact CZ3-CB 3.68Å; W621-D722 WeakPolarHBondContact CZ3-OD2 3.37Å |
| 622 | Q | 93.7 | Very high | 91.6 | Very high | 50 Ų | 50 | 40.2 Ų | 40.2 | 23% | 0.234 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.8 | -29.6 | 177.6 | -63.8 | -38.6 | -64.3 | 0 | 0 | 112.2 | Q573 E618 E619 R625 F626 | Q573-Q622 HydrophobicContact CG-CB 4.25Å; E618-Q622 VanDerWaalsContact O-CG 3.3Å; E618-Q622 WeakPolarHBondContact O-CG 3.35Å; E618-Q622 PolarHBondContact O-N 2.86Å; E618-Q622 PolarHBondContact O-NE2 3.38Å; E619-Q622 PolarHBondContact O-N 3.45Å; Q622-R625 WeakPolarHBondContact O-CG 3.42Å; Q622-R625 PolarHBondContact O-NE 3.47Å; Q622-R625 VanDerWaalsContact OE1-NH1 3.11Å; Q622-F626 VanDerWaalsContact O-CD2 3.25Å; Q622-F626 WeakPolarHBondContact O-CD2 3.47Å; Q622-F626 WeakPolarHBondContact O-CE2 3.38Å |
| 623 | M | 93.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -79.6 | -52 | 171.9 | -174.9 | 174.1 | 56.4 | 0 | 0 | 112 | Q573 L576 F595 L599 L603 E619 I620 W621 R625 F626 | Q573-M623 HydrophobicContact CB-CB 4.45Å; L576-M623 HydrophobicContact CD1-CG 3.61Å; F595-M623 HydrophobicContact CD1-SD 4.29Å; L599-M623 HydrophobicContact CD1-CE 3.94Å; L599-M623 HydrophobicContact CD2-CE 3.7Å; L599-M623 HydrophobicContact CG-CE 3.74Å; L603-M623 HydrophobicContact CD1-CE 3.74Å; E619-M623 PolarHBondContact O-N 2.93Å; I620-M623 PolarHBondContact O-N 2.84Å; W621-M623 PolarHBondContact O-N 3.24Å; M623-R625 PolarHBondContact O-N 3.43Å; M623-F626 PolarHBondContact O-N 3.43Å |
| 624 | L | 93.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.9 | -34.6 | -175.6 | -81.7 | 171.9 | 0 | 0 | 0 | 114.4 | L599 I620 W621 F626 M627 R632 L635 Y636 L719 | L599-L624 HydrophobicContact CD1-CD2 3.62Å; L599-L624 HydrophobicContact CD1-CG 4.31Å; L599-L624 HydrophobicContact CD2-CD1 4.35Å; L599-L624 HydrophobicContact CD2-CD2 3.97Å; L599-L624 HydrophobicContact CD2-CG 4.06Å; L599-L624 HydrophobicContact CG-CD2 4.42Å; I620-L624 HydrophobicContact CG2-CD1 3.79Å; I620-L624 HydrophobicContact CG2-CG 4.4Å; I620-L624 PolarHBondContact O-N 3.4Å; W621-L624 HydrophobicContact CE3-CB 4.29Å; W621-L624 PolarHBondContact O-N 2.59Å; L624-F626 PolarHBondContact O-N 3.45Å; L624-M627 HydrophobicContact CD2-SD 4.32Å; L624-M627 WeakPolarHBondContact O-CB 3.46Å; L624-M627 PolarHBondContact O-N 3.07Å; L624-R632 HydrophobicContact CD2-CG 4.47Å; L624-R632 WeakPolarHBondContact O-CD 3.3Å; L624-L635 HydrophobicContact CD2-CD1 3.83Å; L624-Y636 HydrophobicContact CD1-CE1 4.2Å; L624-L719 HydrophobicContact CD1-CD1 3.62Å |
| 625 | R | 91.5 | Very high | 92.4 | Very high | 103 Ų | 103 | 42.4 Ų | 42.4 | 39% | 0.389 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -21.3 | -177.4 | 68.8 | -177.4 | 175.9 | 162.4 | -4.2 | 114.7 | W621 Q622 M623 | W621-R625 HydrophobicContact CD2-CB 4.41Å; W621-R625 HydrophobicContact CH2-CB 4.47Å; W621-R625 HydrophobicContact CZ2-CB 4.05Å; W621-R625 WeakPolarHBondContact O-CB 3.46Å; W621-R625 WeakPolarHBondContact O-CG 3.47Å; W621-R625 PolarHBondContact O-N 2.72Å; Q622-R625 WeakPolarHBondContact O-CG 3.42Å; Q622-R625 PolarHBondContact O-NE 3.47Å; Q622-R625 VanDerWaalsContact OE1-NH1 3.11Å; M623-R625 PolarHBondContact O-N 3.43Å |
| 626 | F | 90 | Very high | 92.5 | Very high | 36 Ų | 36 | 38 Ų | 38 | 16% | 0.158 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -11 | 177.2 | -65.3 | -66.9 | 0 | 0 | 0 | 113.1 | Q573 L576 S577 Q622 M623 L624 | Q573-F626 HydrophobicContact CG-CE2 3.97Å; L576-F626 HydrophobicContact CB-CB 3.8Å; L576-F626 HydrophobicContact CB-CG 4.47Å; S577-F626 VanDerWaalsContact CB-CZ 3.47Å; Q622-F626 VanDerWaalsContact O-CD2 3.25Å; Q622-F626 WeakPolarHBondContact O-CD2 3.47Å; Q622-F626 WeakPolarHBondContact O-CE2 3.38Å; M623-F626 PolarHBondContact O-N 3.43Å; L624-F626 PolarHBondContact O-N 3.45Å |
| 627 | M | 89.6 | Confident | 92.4 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.015 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -84.9 | 144.1 | 173.8 | -61.2 | -163.6 | 177.1 | 0 | 0 | 111.5 | L576 Y592 F596 L599 L624 H631 R632 L635 | L576-M627 HydrophobicContact CD1-CE 3.54Å; L576-M627 HydrophobicContact CD1-CG 4.15Å; L576-M627 HydrophobicContact CD2-CE 4.2Å; Y592-M627 HydrophobicContact CE2-CG 4.43Å; Y592-M627 WeakPolarHBondContact OH-CG 3.32Å; Y592-M627 PolarHBondContact OH-SD 2.86Å; F596-M627 HydrophobicContact CD2-SD 4.43Å; L599-M627 HydrophobicContact CD1-CE 3.55Å; L599-M627 HydrophobicContact CD1-SD 4.2Å; L624-M627 HydrophobicContact CD2-SD 4.32Å; L624-M627 WeakPolarHBondContact O-CB 3.46Å; L624-M627 PolarHBondContact O-N 3.07Å; M627-H631 HydrophobicContact CB-CB 4.45Å; M627-R632 HydrophobicContact CB-CG 4.09Å; M627-R632 PolarHBondContact O-NE 2.71Å; M627-L635 HydrophobicContact SD-CD1 4.21Å |
| 628 | P | 87.7 | Confident | 92.3 | Very high | 50 Ų | 50 | 40.5 Ų | 40.5 | 33% | 0.325 | 18% | 0.18 | S | C | . | . | trans | -52.3 | 143.9 | 169.4 | -25.7 | 34.6 | 0 | 0 | 0 | 111.9 | L583 E630 H631 R632 | L583-P628 HydrophobicContact CD2-CG 3.84Å; P628-E630 PolarHBondContact O-N 3.23Å; P628-E630 VanDerWaalsContact O-N 3.13Å; P628-H631 WeakPolarHBondContact O-CB 3.42Å; P628-H631 PolarHBondContact O-N 3.48Å; P628-R632 PolarHBondContact O-N 3.22Å | ||
| 629 | Y | 87.7 | Confident | 92.1 | Very high | 50 Ų | 50 | 38.8 Ų | 38.8 | 20% | 0.196 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.4 | -31.5 | -178.2 | 79.5 | -82.3 | 0 | 0 | 0 | 112.3 | H631 R632 Y633 | Y629-H631 VanDerWaalsContact C-N 3.34Å; Y629-H631 PolarHBondContact O-N 2.94Å; Y629-R632 PolarHBondContact O-N 3.24Å; Y629-Y633 AromaticContact CD2-CD2 3.98Å; Y629-Y633 HydrophobicContact CD2-CD2 3.98Å; Y629-Y633 AromaticContact CD2-CE2 3.88Å; Y629-Y633 HydrophobicContact CD2-CE2 3.88Å; Y629-Y633 VanDerWaalsContact O-CB 3.31Å; Y629-Y633 WeakPolarHBondContact O-CB 3.33Å; Y629-Y633 WeakPolarHBondContact O-CD1 3.37Å; Y629-Y633 VanDerWaalsContact O-CG 3.28Å; Y629-Y633 PolarHBondContact O-N 3.2Å |
| 630 | E | 88.6 | Confident | 91.9 | Very high | 117 Ų | 117 | 37.4 Ų | 37.4 | 55% | 0.547 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -62.1 | -39.4 | 175.7 | -57.8 | 179.4 | -178.6 | 0 | 0 | 112.2 | P628 R634 | P628-E630 PolarHBondContact O-N 3.23Å; P628-E630 VanDerWaalsContact O-N 3.13Å; E630-R634 WeakPolarHBondContact O-CB 3.38Å; E630-R634 PolarHBondContact O-N 3.12Å; E630-R634 VanDerWaalsContact O-N 3.13Å |
| 631 | H | 91.9 | Very high | 91.2 | Very high | 55 Ų | 55 | 40.8 Ų | 40.8 | 26% | 0.255 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -74.4 | -40.6 | 175.5 | -66.8 | -179.6 | 0 | 0 | 0 | 111.3 | Y592 F596 M627 P628 Y629 R634 L635 | Y592-H631 AromaticContact CE1-ND1 3.89Å; Y592-H631 AromaticContact CZ-ND1 3.71Å; Y592-H631 PolarHBondContact OH-ND1 2.85Å; F596-H631 HydrophobicContact CE2-CB 4.24Å; M627-H631 HydrophobicContact CB-CB 4.45Å; P628-H631 WeakPolarHBondContact O-CB 3.42Å; P628-H631 PolarHBondContact O-N 3.48Å; Y629-H631 VanDerWaalsContact C-N 3.34Å; Y629-H631 PolarHBondContact O-N 2.94Å; H631-R634 PolarHBondContact O-N 2.94Å; H631-L635 PolarHBondContact O-N 3.38Å; H631-L635 VanDerWaalsContact O-N 3.14Å |
| 632 | R | 93.7 | Very high | 90.3 | Very high | 19 Ų | 19 | 42.6 Ų | 42.6 | 7% | 0.072 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.9 | -50.4 | 173.2 | -68.2 | -172.7 | -93.6 | 127 | -7.2 | 111.4 | L624 M627 P628 Y629 R634 L635 Y636 D722 D765 | L624-R632 HydrophobicContact CD2-CG 4.47Å; L624-R632 WeakPolarHBondContact O-CD 3.3Å; M627-R632 HydrophobicContact CB-CG 4.09Å; M627-R632 PolarHBondContact O-NE 2.71Å; P628-R632 PolarHBondContact O-N 3.22Å; Y629-R632 PolarHBondContact O-N 3.24Å; R632-R634 VanDerWaalsContact C-N 3.3Å; R632-R634 PolarHBondContact O-N 3.23Å; R632-L635 WeakPolarHBondContact O-CB 3.45Å; R632-L635 PolarHBondContact O-N 3.44Å; R632-Y636 HydrophobicContact CB-CE2 4.19Å; R632-Y636 WeakPolarHBondContact O-CD1 3.27Å; R632-Y636 PolarHBondContact O-N 3.29Å; R632-D722 IonicContact CZ-OD2 3.55Å; R632-D722 IonicContact NH1-OD1 3.93Å; R632-D722 PolarHBondContact NH1-OD1 3.34Å; R632-D722 IonicContact NH1-OD2 3.64Å; R632-D722 PolarHBondContact NH1-OD2 2.98Å; R632-D765 IonicContact CZ-OD2 3.69Å; R632-D765 IonicContact NH1-OD2 3.63Å; R632-D765 PolarHBondContact NH1-OD2 2.91Å; R632-D765 IonicContact NH2-OD2 3.99Å; R632-D765 PolarHBondContact NH2-OD2 3.08Å |
| 633 | Y | 93.6 | Very high | 89 | Confident | 23 Ų | 23 | 41.5 Ų | 41.5 | 9% | 0.09 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.3 | -28.1 | -177.2 | -71.6 | 7.7 | 0 | 0 | 0 | 112.5 | Y629 Y636 G637 T725 F726 I729 | Y629-Y633 AromaticContact CD2-CD2 3.98Å; Y629-Y633 HydrophobicContact CD2-CD2 3.98Å; Y629-Y633 AromaticContact CD2-CE2 3.88Å; Y629-Y633 HydrophobicContact CD2-CE2 3.88Å; Y629-Y633 VanDerWaalsContact O-CB 3.31Å; Y629-Y633 WeakPolarHBondContact O-CB 3.33Å; Y629-Y633 WeakPolarHBondContact O-CD1 3.37Å; Y629-Y633 VanDerWaalsContact O-CG 3.28Å; Y629-Y633 PolarHBondContact O-N 3.2Å; Y633-Y636 AromaticContact CD1-CD2 3.68Å; Y633-Y636 HydrophobicContact CD1-CD2 3.68Å; Y633-Y636 AromaticContact CD1-CE2 3.78Å; Y633-Y636 HydrophobicContact CD1-CE2 3.78Å; Y633-Y636 HydrophobicContact CE1-CD2 4.29Å; Y633-Y636 HydrophobicContact CE1-CE2 4.07Å; Y633-G637 PolarHBondContact O-N 2.7Å; Y633-T725 WeakPolarHBondContact OH-CG2 3.3Å; Y633-F726 HydrophobicContact CD1-CB 4.05Å; Y633-F726 HydrophobicContact CD1-CD2 4.31Å; Y633-F726 HydrophobicContact CD2-CD2 4.13Å; Y633-F726 HydrophobicContact CE1-CB 4.16Å; Y633-F726 HydrophobicContact CG-CB 4.29Å; Y633-F726 AromaticContact CG-CD2 3.79Å; Y633-F726 HydrophobicContact CG-CD2 3.79Å; Y633-F726 HydrophobicContact CG-CG 4.47Å; Y633-F726 VanDerWaalsContact O-CE2 3.29Å; Y633-F726 WeakPolarHBondContact O-CE2 3.18Å; Y633-I729 HydrophobicContact CD2-CD1 4.48Å; Y633-I729 HydrophobicContact CE2-CD1 3.68Å |
| 634 | R | 93.2 | Very high | 87.7 | Confident | 159 Ų | 159 | 42 Ų | 42 | 60% | 0.6 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -63.9 | -50.9 | 169.1 | 178.8 | 174 | 174.9 | 160.9 | 1.9 | 111.7 | F596 E630 H631 R632 Y636 G637 Q638 | F596-R634 HydrophobicContact CZ-CG 4.28Å; E630-R634 WeakPolarHBondContact O-CB 3.38Å; E630-R634 PolarHBondContact O-N 3.12Å; E630-R634 VanDerWaalsContact O-N 3.13Å; H631-R634 PolarHBondContact O-N 2.94Å; R632-R634 VanDerWaalsContact C-N 3.3Å; R632-R634 PolarHBondContact O-N 3.23Å; R634-Y636 VanDerWaalsContact C-N 3.28Å; R634-Y636 PolarHBondContact O-N 2.79Å; R634-G637 PolarHBondContact O-N 2.99Å; R634-G637 VanDerWaalsContact O-N 3.16Å; R634-Q638 VanDerWaalsContact CG-OE1 3.29Å; R634-Q638 WeakPolarHBondContact O-CG 3.33Å; R634-Q638 PolarHBondContact O-N 2.78Å |
| 635 | L | 94.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.3 | -41.7 | 175.1 | -70.1 | 167.7 | 0 | 0 | 0 | 111.7 | F596 L599 D600 L604 L624 M627 H631 R632 G637 Q638 W639 | F596-L635 HydrophobicContact CD1-CD2 4.1Å; F596-L635 HydrophobicContact CD2-CD1 4.11Å; F596-L635 HydrophobicContact CD2-CD2 4.18Å; F596-L635 HydrophobicContact CD2-CG 4.21Å; F596-L635 HydrophobicContact CE1-CD2 3.69Å; F596-L635 HydrophobicContact CE1-CG 4.36Å; F596-L635 HydrophobicContact CE2-CD1 3.91Å; F596-L635 HydrophobicContact CE2-CD2 3.8Å; F596-L635 HydrophobicContact CE2-CG 3.6Å; F596-L635 HydrophobicContact CG-CD2 4.32Å; F596-L635 HydrophobicContact CZ-CD1 4.47Å; F596-L635 HydrophobicContact CZ-CD2 3.53Å; F596-L635 HydrophobicContact CZ-CG 3.68Å; L599-L635 HydrophobicContact CB-CD1 4.09Å; L599-L635 HydrophobicContact CB-CD2 4.21Å; L599-L635 HydrophobicContact CD1-CD1 4.03Å; D600-L635 HydrophobicContact CB-CD2 3.74Å; L604-L635 HydrophobicContact CD1-CB 4.14Å; L624-L635 HydrophobicContact CD2-CD1 3.83Å; M627-L635 HydrophobicContact SD-CD1 4.21Å; H631-L635 PolarHBondContact O-N 3.38Å; H631-L635 VanDerWaalsContact O-N 3.14Å; R632-L635 WeakPolarHBondContact O-CB 3.45Å; R632-L635 PolarHBondContact O-N 3.44Å; L635-G637 PolarHBondContact O-N 3.06Å; L635-Q638 PolarHBondContact O-N 2.94Å; L635-W639 WeakPolarHBondContact O-CB 3.4Å; L635-W639 PolarHBondContact O-N 3.24Å |
| 636 | Y | 94.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.2 | -40.2 | 176.4 | -64.9 | -12.5 | 0 | 0 | 0 | 113.2 | L624 R632 Y633 R634 W639 K640 L719 D722 M723 F726 | L624-Y636 HydrophobicContact CD1-CE1 4.2Å; R632-Y636 HydrophobicContact CB-CE2 4.19Å; R632-Y636 WeakPolarHBondContact O-CD1 3.27Å; R632-Y636 PolarHBondContact O-N 3.29Å; Y633-Y636 AromaticContact CD1-CD2 3.68Å; Y633-Y636 HydrophobicContact CD1-CD2 3.68Å; Y633-Y636 AromaticContact CD1-CE2 3.78Å; Y633-Y636 HydrophobicContact CD1-CE2 3.78Å; Y633-Y636 HydrophobicContact CE1-CD2 4.29Å; Y633-Y636 HydrophobicContact CE1-CE2 4.07Å; R634-Y636 VanDerWaalsContact C-N 3.28Å; R634-Y636 PolarHBondContact O-N 2.79Å; Y636-W639 HydrophobicContact CD1-CE3 4.47Å; Y636-K640 VanDerWaalsContact O-CB 3.3Å; Y636-K640 WeakPolarHBondContact O-CB 3.33Å; Y636-K640 PolarHBondContact O-N 2.91Å; Y636-L719 HydrophobicContact CE1-CD1 4.01Å; Y636-D722 HydrophobicContact CE2-CB 4.29Å; Y636-D722 WeakPolarHBondContact CE2-OD2 3.29Å; Y636-D722 PolarHBondContact OH-OD2 3.43Å; Y636-M723 WeakPolarHBondContact CB-SD 3.25Å; Y636-M723 HydrophobicContact CD1-SD 3.8Å; Y636-M723 HydrophobicContact CD2-SD 3.72Å; Y636-M723 HydrophobicContact CE2-SD 4.46Å; Y636-M723 HydrophobicContact CG-CE 4.47Å; Y636-M723 HydrophobicContact CG-SD 3.36Å; Y636-F726 HydrophobicContact CD2-CB 3.88Å; Y636-F726 HydrophobicContact CD2-CG 4.13Å |
| 637 | G | 92.2 | Very high | 85.5 | Confident | 15 Ų | 15 | 43.7 Ų | 43.7 | 16% | 0.155 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.4 | -40.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y633 R634 L635 H641 | Y633-G637 PolarHBondContact O-N 2.7Å; R634-G637 PolarHBondContact O-N 2.99Å; R634-G637 VanDerWaalsContact O-N 3.16Å; L635-G637 PolarHBondContact O-N 3.06Å; G637-H641 WeakPolarHBondContact O-CB 3.34Å; G637-H641 PolarHBondContact O-CD2 3.37Å; G637-H641 PolarHBondContact O-N 2.92Å |
| 638 | Q | 90.6 | Very high | 85.4 | Confident | 41 Ų | 41 | 43.9 Ų | 43.9 | 19% | 0.192 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66 | -51.1 | 177.3 | -67.1 | -179.5 | -116.3 | 0 | 0 | 111.2 | D600 R634 L635 K640 H641 F642 N643 | D600-Q638 WeakPolarHBondContact OD1-CB 3.43Å; D600-Q638 PolarHBondContact OD1-NE2 3.47Å; D600-Q638 PolarHBondContact OD2-NE2 3.01Å; R634-Q638 VanDerWaalsContact CG-OE1 3.29Å; R634-Q638 WeakPolarHBondContact O-CG 3.33Å; R634-Q638 PolarHBondContact O-N 2.78Å; L635-Q638 PolarHBondContact O-N 2.94Å; Q638-K640 PolarHBondContact O-N 3.08Å; Q638-H641 PolarHBondContact O-N 2.89Å; Q638-F642 PolarHBondContact O-N 3.11Å; Q638-N643 PolarHBondContact O-N 2.74Å; Q638-N643 PolarHBondContact O-OD1 2.74Å |
| 639 | W | 91 | Very high | 85.4 | Confident | 11 Ų | 11 | 42.9 Ų | 42.9 | 4% | 0.042 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.8 | -42.4 | 176 | -177.2 | 31.9 | 0 | 0 | 0 | 113.4 | L604 L607 S608 L635 Y636 S686 P688 M723 | L604-W639 HydrophobicContact CB-CB 4.42Å; L604-W639 HydrophobicContact CB-CD2 3.87Å; L604-W639 HydrophobicContact CB-CE3 4.39Å; L604-W639 HydrophobicContact CB-CG 3.89Å; L604-W639 HydrophobicContact CD1-CB 4.46Å; L604-W639 HydrophobicContact CD1-CD2 4.48Å; L604-W639 HydrophobicContact CD1-CE3 4.34Å; L604-W639 HydrophobicContact CD2-CD2 4.38Å; L604-W639 HydrophobicContact CD2-CE3 4.09Å; L604-W639 HydrophobicContact CD2-CH2 4.21Å; L604-W639 HydrophobicContact CD2-CZ3 4Å; L604-W639 HydrophobicContact CG-CD2 4.47Å; L604-W639 PolarHBondContact O-NE1 2.87Å; L607-W639 HydrophobicContact CD2-CH2 3.9Å; L607-W639 HydrophobicContact CD2-CZ2 4.11Å; L607-W639 HydrophobicContact CG-CZ2 4.45Å; S608-W639 PolarHBondContact OG-NE1 3.32Å; L635-W639 WeakPolarHBondContact O-CB 3.4Å; L635-W639 PolarHBondContact O-N 3.24Å; Y636-W639 HydrophobicContact CD1-CE3 4.47Å; W639-S686 WeakPolarHBondContact CZ2-O 3.32Å; W639-P688 HydrophobicContact CH2-CG 3.54Å; W639-P688 HydrophobicContact CZ3-CG 3.75Å; W639-M723 HydrophobicContact CE3-CE 4.46Å; W639-M723 HydrophobicContact CE3-SD 4.43Å |
| 640 | K | 88.4 | Confident | 85.4 | Confident | 10 Ų | 10 | 40.8 Ų | 40.8 | 4% | 0.043 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.8 | -37.4 | -179.9 | -170.9 | -176.3 | 177.4 | -160.9 | 0 | 113 | Y636 Q638 R654 D693 M723 E730 | Y636-K640 VanDerWaalsContact O-CB 3.3Å; Y636-K640 WeakPolarHBondContact O-CB 3.33Å; Y636-K640 PolarHBondContact O-N 2.91Å; Q638-K640 PolarHBondContact O-N 3.08Å; K640-R654 PolarHBondContact O-NH1 2.96Å; K640-D693 WeakPolarHBondContact CE-OD1 3.27Å; K640-D693 IonicContact NZ-OD1 2.83Å; K640-D693 PolarHBondContact NZ-OD1 2.95Å; K640-M723 HydrophobicContact CB-CE 4.18Å; K640-E730 WeakPolarHBondContact CD-OE2 3.34Å; K640-E730 IonicContact NZ-OE1 3.2Å; K640-E730 PolarHBondContact NZ-OE1 3.48Å; K640-E730 IonicContact NZ-OE2 3.76Å; K640-E730 PolarHBondContact NZ-OE2 3.26Å |
| 641 | H | 82.2 | Confident | 85.5 | Confident | 70 Ų | 70 | 36.4 Ų | 36.4 | 32% | 0.324 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -115 | -36.2 | -163.1 | -67.9 | -57.6 | 0 | 0 | 0 | 115.8 | G637 Q638 Q645 E730 | G637-H641 WeakPolarHBondContact O-CB 3.34Å; G637-H641 PolarHBondContact O-CD2 3.37Å; G637-H641 PolarHBondContact O-N 2.92Å; Q638-H641 PolarHBondContact O-N 2.89Å; H641-Q645 PolarHBondContact O-NE2 3.04Å; H641-E730 IonicContact CD2-OE1 2.95Å; H641-E730 IonicContact CE1-OE1 3.95Å; H641-E730 PolarHBondContact CE1-OE1 2.95Å; H641-E730 VanDerWaalsContact CE1-OE1 3.31Å; H641-E730 IonicContact NE2-OE1 3.25Å; H641-E730 PolarHBondContact NE2-OE1 3.09Å |
| 642 | F | 74.7 | Confident | 85.4 | Confident | 83 Ų | 83 | 36.2 Ų | 36.2 | 36% | 0.364 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -54.5 | -164.8 | -67.9 | -96.7 | 0 | 0 | 0 | 112.8 | Q638 V644 Q645 I1604 | Q638-F642 PolarHBondContact O-N 3.11Å; F642-V644 PolarHBondContact O-N 3.16Å; F642-Q645 PolarHBondContact O-N 3.45Å; F642-I1604 HydrophobicContact CZ-CG2 4.02Å |
| 643 | N | 67.9 | Low | 85.1 | Confident | 26 Ų | 26 | 37 Ų | 37 | 14% | 0.139 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -10 | -162.9 | -48.9 | 8 | 0 | 0 | 0 | 112.5 | D600 P605 Q638 | D600-N643 PolarHBondContact O-ND2 3.38Å; D600-N643 PolarHBondContact OD1-ND2 3.23Å; P605-N643 HydrophobicContact CG-CB 4.24Å; Q638-N643 PolarHBondContact O-N 2.74Å; Q638-N643 PolarHBondContact O-OD1 2.74Å |
| 644 | V | 65.3 | Low | 84.9 | Confident | 12 Ų | 12 | 39.4 Ų | 39.4 | 7% | 0.073 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -8.1 | -179.8 | 178.3 | 0 | 0 | 0 | 0 | 113.2 | F642 L650 I651 R654 | F642-V644 PolarHBondContact O-N 3.16Å; V644-L650 HydrophobicContact CB-CB 4.44Å; V644-L650 HydrophobicContact CG1-CB 3.99Å; V644-L650 HydrophobicContact CG2-CB 4.48Å; V644-L650 HydrophobicContact CG2-CD1 4.47Å; V644-I651 VanDerWaalsContact O-CG1 3.26Å; V644-I651 WeakPolarHBondContact O-CG1 3.5Å; V644-R654 HydrophobicContact CG1-CB 4.2Å |
| 645 | Q | 68.2 | Low | 84.7 | Confident | 104 Ų | 104 | 33.1 Ų | 33.1 | 49% | 0.486 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -82.6 | -24.4 | -169.1 | -64.9 | -175.1 | 5.7 | 0 | 0 | 115.5 | H641 F642 R1608 | H641-Q645 PolarHBondContact O-NE2 3.04Å; F642-Q645 PolarHBondContact O-N 3.45Å; Q645-R1608 VanDerWaalsContact OE1-NH1 3.1Å |
| 646 | S | 75.3 | Confident | 84.5 | Confident | 64 Ų | 64 | 35.5 Ų | 35.5 | 45% | 0.448 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -92.8 | -26.9 | -175.6 | 36.4 | 0 | 0 | 0 | 0 | 113.6 | I299 | I299-S646 WeakPolarHBondContact CD1-O 3.46Š|
| 647 | E | 85.3 | Confident | 84.3 | Confident | 6 Ų | 6 | 35.7 Ų | 35.7 | 3% | 0.028 | 18% | 0.18 | C | C | . | . | trans | -105.8 | 115.5 | -159.8 | 174.4 | 36.5 | -122.9 | 0 | 0 | 112.8 | P556 H557 S649 L650 I651 | P556-E647 HydrophobicContact CG-CG 4.03Å; H557-E647 IonicContact NE2-OE1 3.6Å; E647-S649 VanDerWaalsContact C-N 3.31Å; E647-S649 WeakPolarHBondContact CG-OG 3.33Å; E647-S649 PolarHBondContact O-N 3.32Å; E647-S649 VanDerWaalsContact OE1-CB 3.25Å; E647-S649 WeakPolarHBondContact OE1-CB 3.31Å; E647-S649 PolarHBondContact OE1-N 3.47Å; E647-S649 PolarHBondContact OE1-OG 2.7Å; E647-L650 HydrophobicContact CB-CB 4.35Å; E647-L650 HydrophobicContact CB-CD1 4.11Å; E647-L650 HydrophobicContact CB-CG 4.38Å; E647-L650 HydrophobicContact CG-CB 4.29Å; E647-L650 HydrophobicContact CG-CD1 4.06Å; E647-L650 HydrophobicContact CG-CG 4Å; E647-L650 PolarHBondContact O-N 2.93Å; E647-I651 VanDerWaalsContact O-CG1 3.31Å; E647-I651 WeakPolarHBondContact O-CG1 3.35Å; E647-I651 PolarHBondContact O-N 3.4Å | ||
| 648 | P | 86.5 | Confident | 84.2 | Confident | 7 Ų | 7 | 37.5 Ų | 37.5 | 5% | 0.045 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -52 | -40 | -177.2 | -29.9 | 36.2 | 0 | 0 | 0 | 115.6 | Q298 I299 A302 I651 R652 | Q298-P648 HydrophobicContact CB-CB 4.26Å; Q298-P648 HydrophobicContact CB-CG 3.95Å; I299-P648 HydrophobicContact CG1-CG 3.73Å; A302-P648 HydrophobicContact CB-CB 4.08Å; A302-P648 WeakPolarHBondContact CB-O 3.32Å; P648-I651 PolarHBondContact O-N 3.47Å; P648-R652 WeakPolarHBondContact O-CG 3.35Å; P648-R652 PolarHBondContact O-N 3.25Å |
| 649 | S | 87.3 | Confident | 84.2 | Confident | 29 Ų | 29 | 36.9 Ų | 36.9 | 20% | 0.203 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.4 | -49.4 | -179.4 | 61 | 0 | 0 | 0 | 0 | 111.5 | H557 E647 I651 R652 R653 | H557-S649 PolarHBondContact NE2-OG 3.18Å; E647-S649 VanDerWaalsContact C-N 3.31Å; E647-S649 WeakPolarHBondContact CG-OG 3.33Å; E647-S649 PolarHBondContact O-N 3.32Å; E647-S649 VanDerWaalsContact OE1-CB 3.25Å; E647-S649 WeakPolarHBondContact OE1-CB 3.31Å; E647-S649 PolarHBondContact OE1-N 3.47Å; E647-S649 PolarHBondContact OE1-OG 2.7Å; S649-I651 VanDerWaalsContact C-N 3.35Å; S649-I651 PolarHBondContact O-N 3.28Å; S649-R652 PolarHBondContact O-N 2.68Å; S649-R653 WeakPolarHBondContact O-CB 3.14Å; S649-R653 PolarHBondContact O-N 2.86Å |
| 650 | L | 89.3 | Confident | 84.2 | Confident | 5 Ų | 5 | 39 Ų | 39 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.5 | -37.1 | 176.6 | -67.8 | 175.8 | 0 | 0 | 0 | 112.2 | P556 P605 L609 V644 E647 R653 R654 | P556-L650 HydrophobicContact CB-CD1 4.07Å; P556-L650 HydrophobicContact CB-CD2 4.36Å; P556-L650 HydrophobicContact CB-CG 4.33Å; P556-L650 HydrophobicContact CG-CD1 4.08Å; P556-L650 HydrophobicContact CG-CG 4.44Å; P605-L650 HydrophobicContact CB-CD1 4.32Å; L609-L650 HydrophobicContact CD2-CD2 3.73Å; L609-L650 HydrophobicContact CD2-CG 4.3Å; L609-L650 HydrophobicContact CG-CD2 3.84Å; V644-L650 HydrophobicContact CB-CB 4.44Å; V644-L650 HydrophobicContact CG1-CB 3.99Å; V644-L650 HydrophobicContact CG2-CB 4.48Å; V644-L650 HydrophobicContact CG2-CD1 4.47Å; E647-L650 HydrophobicContact CB-CB 4.35Å; E647-L650 HydrophobicContact CB-CD1 4.11Å; E647-L650 HydrophobicContact CB-CG 4.38Å; E647-L650 HydrophobicContact CG-CB 4.29Å; E647-L650 HydrophobicContact CG-CD1 4.06Å; E647-L650 HydrophobicContact CG-CG 4Å; E647-L650 PolarHBondContact O-N 2.93Å; L650-R653 PolarHBondContact O-N 3.2Å; L650-R654 VanDerWaalsContact O-CB 3.29Å; L650-R654 WeakPolarHBondContact O-CB 3.36Å; L650-R654 PolarHBondContact O-N 3.13Å |
| 651 | I | 89.4 | Confident | 84.3 | Confident | 26 Ų | 26 | 38.5 Ų | 38.5 | 13% | 0.133 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.6 | -49.2 | 175.2 | -64.8 | 166.4 | 0 | 0 | 0 | 110.8 | A302 V644 E647 P648 S649 R653 R654 A655 | A302-I651 HydrophobicContact CB-CB 3.91Å; A302-I651 HydrophobicContact CB-CG2 3.77Å; A302-I651 WeakPolarHBondContact O-CG2 3.47Å; V644-I651 VanDerWaalsContact O-CG1 3.26Å; V644-I651 WeakPolarHBondContact O-CG1 3.5Å; E647-I651 VanDerWaalsContact O-CG1 3.31Å; E647-I651 WeakPolarHBondContact O-CG1 3.35Å; E647-I651 PolarHBondContact O-N 3.4Å; P648-I651 PolarHBondContact O-N 3.47Å; S649-I651 VanDerWaalsContact C-N 3.35Å; S649-I651 PolarHBondContact O-N 3.28Å; I651-R653 VanDerWaalsContact C-N 3.35Å; I651-R653 PolarHBondContact O-N 2.96Å; I651-R654 PolarHBondContact O-N 3.34Å; I651-A655 PolarHBondContact O-N 3.39Å |
| 652 | R | 89.5 | Confident | 84.8 | Confident | 50 Ų | 50 | 40 Ų | 40 | 19% | 0.189 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.4 | -46.7 | 176.4 | -72.7 | 178.1 | -178.2 | -178.5 | 1.6 | 110.8 | A302 Y305 P648 S649 A655 Q656 | A302-R652 HydrophobicContact CB-CG 3.87Å; Y305-R652 HydrophobicContact CD1-CB 4.15Å; Y305-R652 HydrophobicContact CD1-CG 4.19Å; Y305-R652 HydrophobicContact CE1-CB 4.27Å; Y305-R652 HydrophobicContact CG-CG 4.36Å; P648-R652 WeakPolarHBondContact O-CG 3.35Å; P648-R652 PolarHBondContact O-N 3.25Å; S649-R652 PolarHBondContact O-N 2.68Å; R652-A655 WeakPolarHBondContact O-CB 3.47Å; R652-A655 PolarHBondContact O-N 2.92Å; R652-Q656 WeakPolarHBondContact O-CG 3.35Å; R652-Q656 PolarHBondContact O-N 3.22Å; R652-Q656 VanDerWaalsContact O-N 3.15Å |
| 653 | R | 88.6 | Confident | 85.5 | Confident | 37 Ų | 37 | 36.7 Ų | 36.7 | 14% | 0.14 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63 | -42.5 | 179.8 | -171.2 | 62 | 160.4 | 177.9 | -5.2 | 112.7 | S608 L609 V610 D611 S649 L650 I651 A655 Q656 V657 | S608-R653 VanDerWaalsContact O-CG 3.31Å; S608-R653 WeakPolarHBondContact O-CG 3.38Å; S608-R653 PolarHBondContact O-NE 2.93Å; L609-R653 HydrophobicContact CD2-CB 4.38Å; L609-R653 PolarHBondContact O-NE 2.92Å; L609-R653 PolarHBondContact O-NH2 2.8Å; V610-R653 PolarHBondContact O-NH2 3.13Å; V610-R653 VanDerWaalsContact O-NH2 3.08Å; D611-R653 IonicContact OD1-CZ 2.7Å; D611-R653 VanDerWaalsContact OD1-CZ 3.3Å; D611-R653 IonicContact OD1-NH1 3.66Å; D611-R653 PolarHBondContact OD1-NH1 3.48Å; D611-R653 IonicContact OD1-NH2 3.58Å; D611-R653 PolarHBondContact OD1-NH2 3.06Å; S649-R653 WeakPolarHBondContact O-CB 3.14Å; S649-R653 PolarHBondContact O-N 2.86Å; L650-R653 PolarHBondContact O-N 3.2Å; I651-R653 VanDerWaalsContact C-N 3.35Å; I651-R653 PolarHBondContact O-N 2.96Å; R653-A655 VanDerWaalsContact C-N 3.31Å; R653-A655 PolarHBondContact O-N 3.23Å; R653-Q656 WeakPolarHBondContact O-CB 3.39Å; R653-Q656 PolarHBondContact O-N 3.06Å; R653-Q656 VanDerWaalsContact O-N 3.14Å; R653-V657 WeakPolarHBondContact O-CG2 3.28Å; R653-V657 PolarHBondContact O-N 3.23Å |
| 654 | R | 89.9 | Confident | 86.5 | Confident | 73 Ų | 73 | 35.6 Ų | 35.6 | 28% | 0.275 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -57.8 | -42 | 173.6 | 175.8 | 165.2 | -173.1 | 139.2 | 2.1 | 111.9 | K640 V644 L650 I651 I658 L690 | K640-R654 PolarHBondContact O-NH1 2.96Å; V644-R654 HydrophobicContact CG1-CB 4.2Å; L650-R654 VanDerWaalsContact O-CB 3.29Å; L650-R654 WeakPolarHBondContact O-CB 3.36Å; L650-R654 PolarHBondContact O-N 3.13Å; I651-R654 PolarHBondContact O-N 3.34Å; R654-I658 HydrophobicContact CG-CD1 3.89Å; R654-I658 WeakPolarHBondContact O-CD1 3.13Å; R654-I658 VanDerWaalsContact O-CG1 3.29Å; R654-I658 WeakPolarHBondContact O-CG1 3.3Å; R654-I658 PolarHBondContact O-N 2.9Å; R654-I658 VanDerWaalsContact O-N 3.14Å; R654-L690 HydrophobicContact CB-CD1 4.03Å; R654-L690 HydrophobicContact CG-CD1 3.75Å; R654-L690 HydrophobicContact CG-CD2 4.07Å |
| 655 | A | 88.8 | Confident | 87.8 | Confident | 27 Ų | 27 | 35.4 Ų | 35.4 | 22% | 0.223 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.3 | -39.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y305 P307 I651 R652 R653 C659 | Y305-A655 HydrophobicContact CD1-CB 4.1Å; P307-A655 HydrophobicContact CG-CB 4.03Å; P307-A655 WeakPolarHBondContact CG-O 3.47Å; I651-A655 PolarHBondContact O-N 3.39Å; R652-A655 WeakPolarHBondContact O-CB 3.47Å; R652-A655 PolarHBondContact O-N 2.92Å; R653-A655 VanDerWaalsContact C-N 3.31Å; R653-A655 PolarHBondContact O-N 3.23Å; A655-C659 WeakPolarHBondContact O-CB 3.38Å; A655-C659 PolarHBondContact O-N 3.39Å; A655-C659 VanDerWaalsContact O-N 3.1Å |
| 656 | Q | 89.8 | Confident | 88.8 | Confident | 50 Ų | 50 | 38.3 Ų | 38.3 | 23% | 0.234 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.2 | -53.4 | 176.1 | -66 | 171.6 | -12 | 0 | 0 | 111 | Y305 P307 R652 R653 I658 C659 Y660 | Y305-Q656 HydrophobicContact CE1-CG 3.96Å; Y305-Q656 PolarHBondContact OH-NE2 3.2Å; P307-Q656 HydrophobicContact CB-CG 3.99Å; P307-Q656 HydrophobicContact CG-CB 4.5Å; P307-Q656 HydrophobicContact CG-CG 4.12Å; R652-Q656 WeakPolarHBondContact O-CG 3.35Å; R652-Q656 PolarHBondContact O-N 3.22Å; R652-Q656 VanDerWaalsContact O-N 3.15Å; R653-Q656 WeakPolarHBondContact O-CB 3.39Å; R653-Q656 PolarHBondContact O-N 3.06Å; R653-Q656 VanDerWaalsContact O-N 3.14Å; Q656-I658 VanDerWaalsContact C-N 3.3Å; Q656-I658 PolarHBondContact O-N 3.35Å; Q656-C659 WeakPolarHBondContact O-CB 3.23Å; Q656-C659 PolarHBondContact O-N 3.15Å; Q656-Y660 WeakPolarHBondContact O-CD2 3.35Å; Q656-Y660 PolarHBondContact O-N 3.3Å |
| 657 | V | 89.9 | Confident | 89.4 | Confident | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.024 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.5 | -43.5 | -179 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | R653 C659 Y660 A661 N687 L690 | R653-V657 WeakPolarHBondContact O-CG2 3.28Å; R653-V657 PolarHBondContact O-N 3.23Å; V657-C659 PolarHBondContact O-N 3.47Å; V657-Y660 PolarHBondContact O-N 3.5Å; V657-A661 VanDerWaalsContact O-CB 3.23Å; V657-A661 WeakPolarHBondContact O-CB 3.39Å; V657-A661 PolarHBondContact O-N 3.31Å; V657-N687 HydrophobicContact CB-CB 4.44Å; V657-N687 HydrophobicContact CG1-CB 3.91Å; V657-N687 HydrophobicContact CG2-CB 3.88Å; V657-L690 HydrophobicContact CG1-CB 4.14Å |
| 658 | I | 90.5 | Very high | 89.6 | Confident | 52 Ų | 52 | 39.1 Ų | 39.1 | 27% | 0.267 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -65.1 | -38.8 | 177.7 | -68.6 | 167.9 | 0 | 0 | 0 | 111.8 | R654 Q656 K662 | R654-I658 HydrophobicContact CG-CD1 3.89Å; R654-I658 WeakPolarHBondContact O-CD1 3.13Å; R654-I658 VanDerWaalsContact O-CG1 3.29Å; R654-I658 WeakPolarHBondContact O-CG1 3.3Å; R654-I658 PolarHBondContact O-N 2.9Å; R654-I658 VanDerWaalsContact O-N 3.14Å; Q656-I658 VanDerWaalsContact C-N 3.3Å; Q656-I658 PolarHBondContact O-N 3.35Å; I658-K662 HydrophobicContact CG2-CD 4.1Å; I658-K662 WeakPolarHBondContact O-CB 3.42Å; I658-K662 WeakPolarHBondContact O-CD 3.33Å; I658-K662 VanDerWaalsContact O-CG 3.29Å; I658-K662 WeakPolarHBondContact O-CG 3.25Å; I658-K662 PolarHBondContact O-N 3.33Å; I658-K662 VanDerWaalsContact O-N 3.13Å |
| 659 | C | 91 | Very high | 89.8 | Confident | 29 Ų | 29 | 40.7 Ų | 40.7 | 20% | 0.196 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.8 | -45.6 | 176.5 | -171.2 | 0 | 0 | 0 | 0 | 111.7 | P307 A655 Q656 V657 K662 A663 | P307-C659 HydrophobicContact CG-CB 4.13Å; P307-C659 PolarHBondContact O-SG 3.39Å; A655-C659 WeakPolarHBondContact O-CB 3.38Å; A655-C659 PolarHBondContact O-N 3.39Å; A655-C659 VanDerWaalsContact O-N 3.1Å; Q656-C659 WeakPolarHBondContact O-CB 3.23Å; Q656-C659 PolarHBondContact O-N 3.15Å; V657-C659 PolarHBondContact O-N 3.47Å; C659-K662 PolarHBondContact O-N 2.83Å; C659-A663 PolarHBondContact O-N 2.9Å |
| 660 | Y | 90.3 | Very high | 89.9 | Confident | 54 Ų | 54 | 47.6 Ų | 47.6 | 21% | 0.212 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.3 | -43 | 178.8 | -78.2 | -135.2 | 0 | 0 | 0 | 111.3 | P310 L333 Q656 V657 K662 A663 I664 L683 | P310-Y660 HydrophobicContact CG-CD1 3.83Å; P310-Y660 HydrophobicContact CG-CD2 4.3Å; P310-Y660 HydrophobicContact CG-CE1 3.36Å; P310-Y660 HydrophobicContact CG-CE2 3.89Å; P310-Y660 HydrophobicContact CG-CG 4.29Å; P310-Y660 VanDerWaalsContact CG-CZ 3.4Å; L333-Y660 HydrophobicContact CD1-CE1 4.42Å; L333-Y660 HydrophobicContact CD2-CE1 4.35Å; Q656-Y660 WeakPolarHBondContact O-CD2 3.35Å; Q656-Y660 PolarHBondContact O-N 3.3Å; V657-Y660 PolarHBondContact O-N 3.5Å; Y660-K662 PolarHBondContact O-N 3.28Å; Y660-A663 PolarHBondContact O-N 3.26Å; Y660-A663 VanDerWaalsContact O-N 3.14Å; Y660-I664 WeakPolarHBondContact O-CG1 3.38Å; Y660-I664 PolarHBondContact O-N 3.39Å; Y660-L683 HydrophobicContact CD1-CD2 4.36Å |
| 661 | A | 91.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58 | -47 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V657 A663 I664 M665 L691 | V657-A661 VanDerWaalsContact O-CB 3.23Å; V657-A661 WeakPolarHBondContact O-CB 3.39Å; V657-A661 PolarHBondContact O-N 3.31Å; A661-A663 VanDerWaalsContact C-N 3.31Å; A661-A663 PolarHBondContact O-N 2.84Å; A661-I664 PolarHBondContact O-N 3.42Å; A661-M665 WeakPolarHBondContact O-CB 3.4Å; A661-M665 VanDerWaalsContact O-CG 3.31Å; A661-M665 WeakPolarHBondContact O-CG 3.49Å; A661-M665 PolarHBondContact O-N 3Å; A661-L691 HydrophobicContact CB-CD1 3.63Å |
| 662 | K | 91.6 | Very high | 89.9 | Confident | 103 Ų | 103 | 56.9 Ų | 56.9 | 45% | 0.448 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.7 | -38.8 | 174.6 | -76.2 | 168.4 | -179.8 | 175.9 | 0 | 112.5 | I658 C659 Y660 K666 H694 | I658-K662 HydrophobicContact CG2-CD 4.1Å; I658-K662 WeakPolarHBondContact O-CB 3.42Å; I658-K662 WeakPolarHBondContact O-CD 3.33Å; I658-K662 VanDerWaalsContact O-CG 3.29Å; I658-K662 WeakPolarHBondContact O-CG 3.25Å; I658-K662 PolarHBondContact O-N 3.33Å; I658-K662 VanDerWaalsContact O-N 3.13Å; C659-K662 PolarHBondContact O-N 2.83Å; Y660-K662 PolarHBondContact O-N 3.28Å; K662-K666 WeakPolarHBondContact O-CB 3.43Å; K662-K666 VanDerWaalsContact O-CG 3.3Å; K662-K666 WeakPolarHBondContact O-CG 3.28Å; K662-K666 PolarHBondContact O-N 3.17Å; K662-K666 VanDerWaalsContact O-N 3.16Å; K662-H694 WeakPolarHBondContact CA-NE2 3.31Å; K662-H694 VanDerWaalsContact CG-NE2 3.25Å; K662-H694 WeakPolarHBondContact CG-NE2 3.44Å |
| 663 | A | 89.3 | Confident | 90 | Very high | 12 Ų | 12 | 55 Ų | 55 | 10% | 0.099 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70.8 | -39.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | P309 L313 C659 Y660 A661 | P309-A663 HydrophobicContact CB-CB 3.99Å; L313-A663 HydrophobicContact CB-CB 3.99Å; L313-A663 HydrophobicContact CD1-CB 4.04Å; C659-A663 PolarHBondContact O-N 2.9Å; Y660-A663 PolarHBondContact O-N 3.26Å; Y660-A663 VanDerWaalsContact O-N 3.14Å; A661-A663 VanDerWaalsContact C-N 3.31Å; A661-A663 PolarHBondContact O-N 2.84Å |
| 664 | I | 90.2 | Very high | 90.1 | Very high | 4 Ų | 4 | 60.6 Ų | 60.6 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.3 | -48.2 | 174.9 | -65.1 | 162.5 | 0 | 0 | 0 | 110.6 | L313 Y660 A661 K666 R667 L668 M676 H679 L680 L683 | L313-I664 HydrophobicContact CD1-CG1 3.88Å; Y660-I664 WeakPolarHBondContact O-CG1 3.38Å; Y660-I664 PolarHBondContact O-N 3.39Å; A661-I664 PolarHBondContact O-N 3.42Å; I664-K666 VanDerWaalsContact C-N 3.3Å; I664-K666 PolarHBondContact O-N 3.43Å; I664-R667 PolarHBondContact O-N 3.13Å; I664-L668 PolarHBondContact O-N 2.92Å; I664-M676 HydrophobicContact CG2-CB 4.23Å; I664-M676 HydrophobicContact CG2-SD 4.3Å; I664-H679 HydrophobicContact CD1-CB 3.67Å; I664-H679 HydrophobicContact CG1-CB 4.15Å; I664-L680 HydrophobicContact CG2-CD1 4.44Å; I664-L683 HydrophobicContact CD1-CD1 3.52Å; I664-L683 HydrophobicContact CD1-CG 4.42Å |
| 665 | M | 91.2 | Very high | 90.2 | Very high | 8 Ų | 8 | 59.9 Ų | 59.9 | 4% | 0.039 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.9 | -33.4 | -177.4 | -71 | -59.6 | -68.3 | 0 | 0 | 112.8 | A661 R667 L668 V695 T698 V709 | A661-M665 WeakPolarHBondContact O-CB 3.4Å; A661-M665 VanDerWaalsContact O-CG 3.31Å; A661-M665 WeakPolarHBondContact O-CG 3.49Å; A661-M665 PolarHBondContact O-N 3Å; M665-R667 VanDerWaalsContact C-N 3.26Å; M665-R667 PolarHBondContact O-N 2.84Å; M665-L668 HydrophobicContact SD-CD2 4.29Å; M665-V695 HydrophobicContact CE-CG1 4.34Å; M665-V695 HydrophobicContact CE-CG2 4.42Å; M665-V695 HydrophobicContact CG-CG2 4.37Å; M665-V695 HydrophobicContact SD-CG2 3.89Å; M665-T698 HydrophobicContact CE-CG2 3.61Å; M665-V709 HydrophobicContact CE-CG2 3.78Å; M665-V709 HydrophobicContact SD-CG2 4.49Å |
| 666 | K | 89.9 | Confident | 90.3 | Very high | 165 Ų | 165 | 59.5 Ų | 59.5 | 72% | 0.717 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -20.3 | 171.4 | -78.1 | -179.4 | 177.3 | -173.4 | 0 | 114.5 | K662 I664 | K662-K666 WeakPolarHBondContact O-CB 3.43Å; K662-K666 VanDerWaalsContact O-CG 3.3Å; K662-K666 WeakPolarHBondContact O-CG 3.28Å; K662-K666 PolarHBondContact O-N 3.17Å; K662-K666 VanDerWaalsContact O-N 3.16Å; I664-K666 VanDerWaalsContact C-N 3.3Å; I664-K666 PolarHBondContact O-N 3.43Å |
| 667 | R | 87.7 | Confident | 90.4 | Very high | 77 Ų | 77 | 57.1 Ų | 57.1 | 29% | 0.291 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -21.2 | -179.4 | -72.9 | -177.3 | 176.5 | -125 | -19.7 | 113.6 | S312 L313 S314 I664 M665 S669 N672 M676 | S312-R667 PolarHBondContact O-NH1 3.37Å; S312-R667 VanDerWaalsContact O-NH1 3.16Å; L313-R667 VanDerWaalsContact C-NH2 3.26Å; L313-R667 PolarHBondContact O-NE 3.3Å; L313-R667 PolarHBondContact O-NH2 2.97Å; S314-R667 PolarHBondContact O-NH2 3.37Å; I664-R667 PolarHBondContact O-N 3.13Å; M665-R667 VanDerWaalsContact C-N 3.26Å; M665-R667 PolarHBondContact O-N 2.84Å; R667-S669 PolarHBondContact O-N 3.18Å; R667-S669 VanDerWaalsContact O-N 3.15Å; R667-N672 PolarHBondContact O-ND2 3.36Å; R667-N672 PolarHBondContact O-OD1 3.09Å; R667-M676 HydrophobicContact CB-SD 3.82Å |
| 668 | L | 90.1 | Very high | 90.5 | Very high | 9 Ų | 9 | 64.3 Ų | 64.3 | 5% | 0.047 | 30% | 0.298 | C | S | . | . | trans | -61.5 | 113.6 | -171.6 | -179.1 | 60.8 | 0 | 0 | 0 | 112.7 | I664 M665 N672 M676 P708 V709 A712 | I664-L668 PolarHBondContact O-N 2.92Å; M665-L668 HydrophobicContact SD-CD2 4.29Å; L668-N672 WeakPolarHBondContact CA-OD1 3.3Å; L668-M676 HydrophobicContact CD1-CB 3.9Å; L668-P708 HydrophobicContact CD1-CB 4.34Å; L668-P708 HydrophobicContact CD2-CB 4.24Å; L668-P708 HydrophobicContact CG-CB 3.99Å; L668-V709 HydrophobicContact CD2-CB 4.37Å; L668-V709 HydrophobicContact CD2-CG2 3.58Å; L668-A712 HydrophobicContact CD1-CB 3.98Å; L668-A712 HydrophobicContact CD2-CB 4.17Å | ||
| 669 | S | 89.3 | Confident | 90.5 | Very high | 40 Ų | 40 | 64.3 Ų | 64.3 | 28% | 0.28 | 30% | 0.296 | S | S | . | . | trans | -128.1 | 169.7 | 176.1 | 88.1 | 0 | 0 | 0 | 0 | 110.5 | R667 E671 N672 V673 | R667-S669 PolarHBondContact O-N 3.18Å; R667-S669 VanDerWaalsContact O-N 3.15Å; S669-E671 PolarHBondContact O-N 3.39Å; S669-E671 PolarHBondContact OG-N 3.17Å; S669-E671 VanDerWaalsContact OG-N 3.17Å; S669-N672 PolarHBondContact N-OD1 2.87Å; S669-N672 PolarHBondContact O-N 3.45Å; S669-N672 PolarHBondContact O-OD1 3.03Å; S669-N672 PolarHBondContact OG-N 2.96Å; S669-V673 WeakPolarHBondContact O-CG2 3.43Å; S669-V673 PolarHBondContact O-N 3.41Å | ||
| 670 | K | 89.6 | Confident | 90.5 | Very high | 174 Ų | 174 | 63 Ų | 63 | 76% | 0.757 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -22.1 | 174.6 | -71.1 | -174.6 | 177.5 | -177.3 | 0 | 114 | P708 | K670-P708 HydrophobicContact CG-CG 4.03Š|
| 671 | E | 88.6 | Confident | 90.6 | Very high | 184 Ų | 184 | 60.4 Ų | 60.4 | 86% | 0.86 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -36 | -176.7 | -63.2 | 170.5 | 169.1 | 0 | 0 | 111.5 | S669 | S669-E671 PolarHBondContact O-N 3.39Å; S669-E671 PolarHBondContact OG-N 3.17Å; S669-E671 VanDerWaalsContact OG-N 3.17Å |
| 672 | N | 90.8 | Very high | 90.6 | Very high | 43 Ų | 43 | 65.6 Ų | 65.6 | 23% | 0.23 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 11.3 | -175.2 | 70.9 | 25.9 | 0 | 0 | 0 | 114.5 | R667 L668 S669 K674 P675 M676 | R667-N672 PolarHBondContact O-ND2 3.36Å; R667-N672 PolarHBondContact O-OD1 3.09Å; L668-N672 WeakPolarHBondContact CA-OD1 3.3Å; S669-N672 PolarHBondContact N-OD1 2.87Å; S669-N672 PolarHBondContact O-N 3.45Å; S669-N672 PolarHBondContact O-OD1 3.03Å; S669-N672 PolarHBondContact OG-N 2.96Å; N672-K674 PolarHBondContact O-N 3.33Å; N672-K674 VanDerWaalsContact O-N 3.13Å; N672-P675 HydrophobicContact CB-CG 4.16Å; N672-P675 WeakPolarHBondContact O-CD 3.28Å; N672-P675 VanDerWaalsContact O-CG 3.27Å; N672-P675 WeakPolarHBondContact O-CG 3.39Å; N672-M676 HydrophobicContact CB-CG 4.21Å; N672-M676 WeakPolarHBondContact O-CB 3.11Å; N672-M676 WeakPolarHBondContact O-CG 3.46Å; N672-M676 PolarHBondContact O-N 2.86Å; N672-M676 VanDerWaalsContact OD1-CG 3.31Å; N672-M676 WeakPolarHBondContact OD1-CG 3.35Å |
| 673 | V | 91.3 | Very high | 90.6 | Very high | 9 Ų | 9 | 61.8 Ų | 61.8 | 6% | 0.055 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -43.4 | -46.2 | 173.4 | 179.3 | 0 | 0 | 0 | 0 | 112.8 | S669 G677 P708 E711 A712 | S669-V673 WeakPolarHBondContact O-CG2 3.43Å; S669-V673 PolarHBondContact O-N 3.41Å; V673-G677 WeakPolarHBondContact O-CA 3.24Å; V673-G677 PolarHBondContact O-N 3.22Å; V673-P708 HydrophobicContact CG2-CB 4.43Å; V673-E711 HydrophobicContact CG1-CB 3.34Å; V673-A712 HydrophobicContact CG1-CB 4.5Å |
| 674 | K | 91.5 | Very high | 90.8 | Very high | 155 Ų | 155 | 61.2 Ų | 61.2 | 67% | 0.674 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -65.4 | -54.3 | -175.7 | -70.7 | 177 | -176.9 | 171.3 | 0 | 112.8 | N672 R678 | N672-K674 PolarHBondContact O-N 3.33Å; N672-K674 VanDerWaalsContact O-N 3.13Å; K674-R678 WeakPolarHBondContact O-CG 3.38Å; K674-R678 PolarHBondContact O-N 3.21Å |
| 675 | P | 90.6 | Very high | 90.9 | Very high | 59 Ų | 59 | 61.9 Ų | 61.9 | 38% | 0.383 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.2 | -46.8 | 174.6 | 22.8 | -32.1 | 0 | 0 | 0 | 112.8 | N672 G677 R678 H679 | N672-P675 HydrophobicContact CB-CG 4.16Å; N672-P675 WeakPolarHBondContact O-CD 3.28Å; N672-P675 VanDerWaalsContact O-CG 3.27Å; N672-P675 WeakPolarHBondContact O-CG 3.39Å; P675-G677 VanDerWaalsContact C-N 3.28Å; P675-G677 PolarHBondContact O-N 3.38Å; P675-R678 WeakPolarHBondContact O-CB 3.27Å; P675-R678 PolarHBondContact O-N 3.19Å; P675-H679 PolarHBondContact O-CD2 3.2Å; P675-H679 PolarHBondContact O-N 3.28Å |
| 676 | M | 91 | Very high | 90.9 | Very high | 19 Ų | 19 | 61.7 Ų | 61.7 | 9% | 0.094 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.7 | -38.2 | -179.9 | -67.7 | -60.3 | 100.6 | 0 | 0 | 111.9 | L313 I664 R667 L668 N672 R678 H679 L680 | L313-M676 HydrophobicContact CD2-CE 4.28Å; L313-M676 HydrophobicContact CD2-SD 4.39Å; I664-M676 HydrophobicContact CG2-CB 4.23Å; I664-M676 HydrophobicContact CG2-SD 4.3Å; R667-M676 HydrophobicContact CB-SD 3.82Å; L668-M676 HydrophobicContact CD1-CB 3.9Å; N672-M676 HydrophobicContact CB-CG 4.21Å; N672-M676 WeakPolarHBondContact O-CB 3.11Å; N672-M676 WeakPolarHBondContact O-CG 3.46Å; N672-M676 PolarHBondContact O-N 2.86Å; N672-M676 VanDerWaalsContact OD1-CG 3.31Å; N672-M676 WeakPolarHBondContact OD1-CG 3.35Å; M676-R678 VanDerWaalsContact C-N 3.33Å; M676-R678 PolarHBondContact O-N 3.43Å; M676-H679 PolarHBondContact O-N 3.45Å; M676-L680 WeakPolarHBondContact O-CB 3.45Å; M676-L680 PolarHBondContact O-N 3.32Å |
| 677 | G | 91.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.3 | -30.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | V673 P675 L680 G681 A712 Y715 | V673-G677 WeakPolarHBondContact O-CA 3.24Å; V673-G677 PolarHBondContact O-N 3.22Å; P675-G677 VanDerWaalsContact C-N 3.28Å; P675-G677 PolarHBondContact O-N 3.38Å; G677-L680 PolarHBondContact O-N 3.13Å; G677-G681 PolarHBondContact O-N 2.9Å; G677-A712 VanDerWaalsContact CA-O 3.24Å; G677-A712 WeakPolarHBondContact CA-O 3.37Å; G677-Y715 WeakPolarHBondContact O-CD2 2.99Å |
| 678 | R | 92.4 | Very high | 91.2 | Very high | 154 Ų | 154 | 50.5 Ų | 50.5 | 58% | 0.581 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -70 | -39.7 | 172.8 | -70.5 | 172 | -179.7 | 179.7 | -3.3 | 111.6 | K674 P675 M676 G681 K682 Y715 | K674-R678 WeakPolarHBondContact O-CG 3.38Å; K674-R678 PolarHBondContact O-N 3.21Å; P675-R678 WeakPolarHBondContact O-CB 3.27Å; P675-R678 PolarHBondContact O-N 3.19Å; M676-R678 VanDerWaalsContact C-N 3.33Å; M676-R678 PolarHBondContact O-N 3.43Å; R678-G681 PolarHBondContact O-N 2.73Å; R678-K682 WeakPolarHBondContact O-CG 3.46Å; R678-K682 PolarHBondContact O-N 3.43Å; R678-Y715 HydrophobicContact CG-CD1 4.2Å; R678-Y715 HydrophobicContact CG-CD2 4.16Å; R678-Y715 HydrophobicContact CG-CE1 3.9Å; R678-Y715 HydrophobicContact CG-CE2 3.84Å; R678-Y715 HydrophobicContact CG-CG 4.3Å |
| 679 | H | 90.9 | Very high | 91.3 | Very high | 52 Ų | 52 | 50.3 Ų | 50.3 | 24% | 0.241 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.9 | -39.1 | 173.3 | -65.4 | -79 | 0 | 0 | 0 | 111.6 | I664 P675 M676 K682 L683 | I664-H679 HydrophobicContact CD1-CB 3.67Å; I664-H679 HydrophobicContact CG1-CB 4.15Å; P675-H679 PolarHBondContact O-CD2 3.2Å; P675-H679 PolarHBondContact O-N 3.28Å; M676-H679 PolarHBondContact O-N 3.45Å; H679-K682 PolarHBondContact O-N 3Å; H679-L683 PolarHBondContact O-N 3.41Å; H679-L683 VanDerWaalsContact O-N 3.15Å |
| 680 | L | 91.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.6 | -46.3 | 174 | -164.6 | 73.5 | 0 | 0 | 0 | 111.4 | I664 M676 G677 L683 S684 L691 V695 A712 L713 | I664-L680 HydrophobicContact CG2-CD1 4.44Å; M676-L680 WeakPolarHBondContact O-CB 3.45Å; M676-L680 PolarHBondContact O-N 3.32Å; G677-L680 PolarHBondContact O-N 3.13Å; L680-L683 PolarHBondContact O-N 3.06Å; L680-S684 WeakPolarHBondContact O-CB 3.39Å; L680-S684 PolarHBondContact O-N 3.38Å; L680-L691 HydrophobicContact CD1-CD1 3.75Å; L680-L691 HydrophobicContact CD1-CD2 3.94Å; L680-L691 HydrophobicContact CD1-CG 4.06Å; L680-L691 HydrophobicContact CG-CD2 4.14Å; L680-L691 VanDerWaalsContact O-CD2 3.3Å; L680-L691 WeakPolarHBondContact O-CD2 3.48Å; L680-V695 HydrophobicContact CD1-CG2 4.15Å; L680-A712 HydrophobicContact CD2-CB 3.82Å; L680-L713 HydrophobicContact CD2-CD2 3.79Å; L680-L713 HydrophobicContact CD2-CG 4.18Å |
| 681 | G | 92.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.6 | -51.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G677 R678 L683 S684 H685 Y715 | G677-G681 PolarHBondContact O-N 2.9Å; R678-G681 PolarHBondContact O-N 2.73Å; G681-L683 VanDerWaalsContact C-N 3.32Å; G681-L683 PolarHBondContact O-N 2.88Å; G681-S684 WeakPolarHBondContact CA-OG 3.49Å; G681-S684 WeakPolarHBondContact O-CA 3.13Å; G681-S684 WeakPolarHBondContact O-CB 3.32Å; G681-S684 PolarHBondContact O-N 3.41Å; G681-S684 PolarHBondContact O-OG 2.87Å; G681-H685 PolarHBondContact O-CD2 3.28Å; G681-H685 VanDerWaalsContact O-CD2 3.24Å; G681-H685 PolarHBondContact O-CE1 3.48Å; G681-H685 PolarHBondContact O-N 3.49Å; G681-H685 PolarHBondContact O-NE2 2.81Å; G681-Y715 VanDerWaalsContact CA-O 3.27Å; G681-Y715 WeakPolarHBondContact CA-O 3.45Å |
| 682 | K | 91.8 | Very high | 91.9 | Very high | 108 Ų | 108 | 32.1 Ų | 32.1 | 47% | 0.47 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -51.9 | -45.5 | 176.5 | -81.2 | -168.3 | 173 | -164 | 0 | 113.2 | A612 R678 H679 | A612-K682 HydrophobicContact CB-CB 3.64Å; A612-K682 HydrophobicContact CB-CD 4.23Å; A612-K682 HydrophobicContact CB-CG 3.84Å; A612-K682 VanDerWaalsContact CB-O 3.24Å; A612-K682 WeakPolarHBondContact CB-O 3.27Å; R678-K682 WeakPolarHBondContact O-CG 3.46Å; R678-K682 PolarHBondContact O-N 3.43Å; H679-K682 PolarHBondContact O-N 3Å |
| 683 | L | 91.3 | Very high | 92 | Very high | 23 Ų | 23 | 34 Ų | 34 | 12% | 0.12 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.3 | -33.9 | 175.6 | -67.5 | 178 | 0 | 0 | 0 | 112.9 | Y660 I664 H679 L680 G681 H685 N687 L691 | Y660-L683 HydrophobicContact CD1-CD2 4.36Å; I664-L683 HydrophobicContact CD1-CD1 3.52Å; I664-L683 HydrophobicContact CD1-CG 4.42Å; H679-L683 PolarHBondContact O-N 3.41Å; H679-L683 VanDerWaalsContact O-N 3.15Å; L680-L683 PolarHBondContact O-N 3.06Å; G681-L683 VanDerWaalsContact C-N 3.32Å; G681-L683 PolarHBondContact O-N 2.88Å; L683-H685 VanDerWaalsContact C-N 3.26Å; L683-H685 PolarHBondContact O-N 3.04Å; L683-N687 PolarHBondContact O-N 3.02Å; L683-N687 VanDerWaalsContact O-N 3.09Å; L683-L691 HydrophobicContact CB-CD1 4.15Å; L683-L691 HydrophobicContact CB-CD2 3.99Å; L683-L691 HydrophobicContact CD1-CD1 3.97Å |
| 684 | S | 93.2 | Very high | 92 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.007 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -69.2 | -20.7 | -178 | 77.5 | 0 | 0 | 0 | 0 | 114.1 | L680 G681 P688 | L680-S684 WeakPolarHBondContact O-CB 3.39Å; L680-S684 PolarHBondContact O-N 3.38Å; G681-S684 WeakPolarHBondContact CA-OG 3.49Å; G681-S684 WeakPolarHBondContact O-CA 3.13Å; G681-S684 WeakPolarHBondContact O-CB 3.32Å; G681-S684 PolarHBondContact O-N 3.41Å; G681-S684 PolarHBondContact O-OG 2.87Å; S684-P688 WeakPolarHBondContact O-CB 3.35Å; S684-P688 VanDerWaalsContact O-CD 3.32Å; S684-P688 WeakPolarHBondContact O-CD 3.37Å |
| 685 | H | 93 | Very high | 92.2 | Very high | 17 Ų | 17 | 27.8 Ų | 27.8 | 8% | 0.079 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -75 | -37.5 | -179 | -56.4 | -39.5 | 0 | 0 | 0 | 112.6 | C614 A617 G681 L683 Y715 S717 | C614-H685 PolarHBondContact SG-CE1 2.81Å; A617-H685 HydrophobicContact CB-CB 4.46Å; G681-H685 PolarHBondContact O-CD2 3.28Å; G681-H685 VanDerWaalsContact O-CD2 3.24Å; G681-H685 PolarHBondContact O-CE1 3.48Å; G681-H685 PolarHBondContact O-N 3.49Å; G681-H685 PolarHBondContact O-NE2 2.81Å; L683-H685 VanDerWaalsContact C-N 3.26Å; L683-H685 PolarHBondContact O-N 3.04Å; H685-Y715 PolarHBondContact CE1-O 3.31Å; H685-Y715 VanDerWaalsContact CE1-O 3.27Å; H685-S717 PolarHBondContact ND1-OG 3.31Å; H685-S717 VanDerWaalsContact ND1-OG 3.15Å |
| 686 | S | 90.1 | Very high | 92.3 | Very high | 5 Ų | 5 | 25.1 Ų | 25.1 | 4% | 0.035 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -95.1 | -38.2 | 179 | 58.2 | 0 | 0 | 0 | 0 | 113.4 | L607 S608 V610 W639 | L607-S686 WeakPolarHBondContact O-CA 3.41Å; L607-S686 WeakPolarHBondContact O-CB 3.49Å; S608-S686 WeakPolarHBondContact CA-O 3.47Å; V610-S686 WeakPolarHBondContact O-CB 3.36Å; W639-S686 WeakPolarHBondContact CZ2-O 3.32Å |
| 687 | N | 90.4 | Very high | 92.4 | Very high | 7 Ų | 7 | 29.2 Ų | 29.2 | 4% | 0.037 | 13% | 0.134 | C | C | . | . | trans | -135.4 | 57 | -171.4 | -70.8 | -87.9 | 0 | 0 | 0 | 113.4 | S608 V657 L683 G689 L690 L691 | S608-N687 VanDerWaalsContact CB-OD1 3.26Å; S608-N687 WeakPolarHBondContact CB-OD1 3.37Å; S608-N687 PolarHBondContact O-ND2 3.15Å; S608-N687 PolarHBondContact OG-OD1 3.39Å; V657-N687 HydrophobicContact CB-CB 4.44Å; V657-N687 HydrophobicContact CG1-CB 3.91Å; V657-N687 HydrophobicContact CG2-CB 3.88Å; L683-N687 PolarHBondContact O-N 3.02Å; L683-N687 VanDerWaalsContact O-N 3.09Å; N687-G689 PolarHBondContact O-N 2.91Å; N687-L690 HydrophobicContact CB-CD1 4.36Å; N687-L690 PolarHBondContact O-N 3.05Å; N687-L691 PolarHBondContact O-N 2.84Å | ||
| 688 | P | 93.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.7 | -46 | -174.2 | 21.3 | -30.6 | 0 | 0 | 0 | 113.6 | W639 S684 L690 L691 F692 M723 | W639-P688 HydrophobicContact CH2-CG 3.54Å; W639-P688 HydrophobicContact CZ3-CG 3.75Å; S684-P688 WeakPolarHBondContact O-CB 3.35Å; S684-P688 VanDerWaalsContact O-CD 3.32Å; S684-P688 WeakPolarHBondContact O-CD 3.37Å; P688-L690 VanDerWaalsContact C-N 3.32Å; P688-L690 PolarHBondContact O-N 3.43Å; P688-L691 WeakPolarHBondContact O-CB 3.43Å; P688-L691 PolarHBondContact O-N 3.45Å; P688-L691 VanDerWaalsContact O-N 3.14Å; P688-F692 HydrophobicContact CB-CD2 4Å; P688-F692 HydrophobicContact CB-CE2 3.51Å; P688-F692 HydrophobicContact CB-CZ 4.4Å; P688-F692 WeakPolarHBondContact O-CD2 3.45Å; P688-F692 WeakPolarHBondContact O-CG 3.47Å; P688-F692 PolarHBondContact O-N 3.42Å; P688-M723 HydrophobicContact CB-CB 4.01Å; P688-M723 HydrophobicContact CB-CG 3.85Å; P688-M723 HydrophobicContact CG-CB 4.22Å; P688-M723 HydrophobicContact CG-CG 3.97Å |
| 689 | G | 92.5 | Very high | 92.4 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 4% | 0.041 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.4 | -37.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | N687 D693 M723 | N687-G689 PolarHBondContact O-N 2.91Å; G689-D693 VanDerWaalsContact O-CB 3.3Å; G689-D693 WeakPolarHBondContact O-CB 3.37Å; G689-D693 PolarHBondContact O-N 3.31Å; G689-M723 VanDerWaalsContact CA-CE 3.43Å |
| 690 | L | 90.8 | Very high | 92.3 | Very high | 16 Ų | 16 | 22.1 Ų | 22.1 | 8% | 0.084 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -73 | -35.8 | 177.3 | -64.7 | 173.3 | 0 | 0 | 0 | 112.4 | R654 V657 N687 P688 | R654-L690 HydrophobicContact CB-CD1 4.03Å; R654-L690 HydrophobicContact CG-CD1 3.75Å; R654-L690 HydrophobicContact CG-CD2 4.07Å; V657-L690 HydrophobicContact CG1-CB 4.14Å; N687-L690 HydrophobicContact CB-CD1 4.36Å; N687-L690 PolarHBondContact O-N 3.05Å; P688-L690 VanDerWaalsContact C-N 3.32Å; P688-L690 PolarHBondContact O-N 3.43Å |
| 691 | L | 94 | Very high | 92.2 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.4 | -49.4 | 177.4 | -174.2 | 65.9 | 0 | 0 | 0 | 110.8 | A661 L680 L683 N687 P688 H694 V695 | A661-L691 HydrophobicContact CB-CD1 3.63Å; L680-L691 HydrophobicContact CD1-CD1 3.75Å; L680-L691 HydrophobicContact CD1-CD2 3.94Å; L680-L691 HydrophobicContact CD1-CG 4.06Å; L680-L691 HydrophobicContact CG-CD2 4.14Å; L680-L691 VanDerWaalsContact O-CD2 3.3Å; L680-L691 WeakPolarHBondContact O-CD2 3.48Å; L683-L691 HydrophobicContact CB-CD1 4.15Å; L683-L691 HydrophobicContact CB-CD2 3.99Å; L683-L691 HydrophobicContact CD1-CD1 3.97Å; N687-L691 PolarHBondContact O-N 2.84Å; P688-L691 WeakPolarHBondContact O-CB 3.43Å; P688-L691 PolarHBondContact O-N 3.45Å; P688-L691 VanDerWaalsContact O-N 3.14Å; L691-H694 PolarHBondContact O-N 3.43Å; L691-V695 HydrophobicContact CG-CG2 4.38Å; L691-V695 VanDerWaalsContact O-CG2 3.25Å; L691-V695 WeakPolarHBondContact O-CG2 3.46Å; L691-V695 PolarHBondContact O-N 2.8Å |
| 692 | F | 95.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -71.7 | -34.3 | -174.6 | -59.3 | -43.1 | 0 | 0 | 0 | 113 | P688 H694 V695 L696 L713 V716 G720 L724 C727 | P688-F692 HydrophobicContact CB-CD2 4Å; P688-F692 HydrophobicContact CB-CE2 3.51Å; P688-F692 HydrophobicContact CB-CZ 4.4Å; P688-F692 WeakPolarHBondContact O-CD2 3.45Å; P688-F692 WeakPolarHBondContact O-CG 3.47Å; P688-F692 PolarHBondContact O-N 3.42Å; F692-H694 VanDerWaalsContact C-N 3.32Å; F692-H694 PolarHBondContact O-N 3.06Å; F692-V695 PolarHBondContact O-N 3.43Å; F692-L696 VanDerWaalsContact O-CB 3.3Å; F692-L696 WeakPolarHBondContact O-CB 3.46Å; F692-L696 WeakPolarHBondContact O-CG 3.46Å; F692-L696 PolarHBondContact O-N 2.82Å; F692-L713 HydrophobicContact CD1-CD2 4.28Å; F692-L713 HydrophobicContact CE1-CD2 3.62Å; F692-V716 HydrophobicContact CE1-CG2 4.31Å; F692-V716 HydrophobicContact CZ-CG1 3.8Å; F692-V716 HydrophobicContact CZ-CG2 4.11Å; F692-G720 WeakPolarHBondContact CE2-O 3.16Å; F692-L724 HydrophobicContact CB-CD1 3.84Å; F692-L724 HydrophobicContact CD1-CB 4.46Å; F692-L724 HydrophobicContact CD1-CD1 3.91Å; F692-L724 HydrophobicContact CD2-CB 3.72Å; F692-L724 HydrophobicContact CD2-CD1 4.34Å; F692-L724 HydrophobicContact CE2-CB 3.91Å; F692-L724 HydrophobicContact CG-CB 4.04Å; F692-L724 HydrophobicContact CG-CD1 3.76Å; F692-L724 HydrophobicContact CG-CG 4.41Å; F692-L724 HydrophobicContact CZ-CB 4.37Å; F692-C727 HydrophobicContact CB-CB 4.18Å |
| 693 | D | 92.9 | Very high | 92 | Very high | 84 Ų | 84 | 31.2 Ų | 31.2 | 45% | 0.449 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -50.8 | -50.1 | 168.6 | -169.5 | 79.6 | 0 | 0 | 0 | 111.9 | K640 G689 H697 | K640-D693 WeakPolarHBondContact CE-OD1 3.27Å; K640-D693 IonicContact NZ-OD1 2.83Å; K640-D693 PolarHBondContact NZ-OD1 2.95Å; G689-D693 VanDerWaalsContact O-CB 3.3Å; G689-D693 WeakPolarHBondContact O-CB 3.37Å; G689-D693 PolarHBondContact O-N 3.31Å; D693-H697 WeakPolarHBondContact O-CB 3.49Å; D693-H697 PolarHBondContact O-N 3.25Å |
| 694 | H | 92.7 | Very high | 91.9 | Very high | 33 Ų | 33 | 35.6 Ų | 35.6 | 15% | 0.153 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -72 | -37 | 178 | -174.6 | 45.5 | 0 | 0 | 0 | 113.7 | K662 L691 F692 T698 | K662-H694 WeakPolarHBondContact CA-NE2 3.31Å; K662-H694 VanDerWaalsContact CG-NE2 3.25Å; K662-H694 WeakPolarHBondContact CG-NE2 3.44Å; L691-H694 PolarHBondContact O-N 3.43Å; F692-H694 VanDerWaalsContact C-N 3.32Å; F692-H694 PolarHBondContact O-N 3.06Å; H694-T698 PolarHBondContact CE1-OG1 3.49Å; H694-T698 WeakPolarHBondContact O-CB 3.26Å; H694-T698 PolarHBondContact O-N 3.42Å; H694-T698 PolarHBondContact O-OG1 3.27Å |
| 695 | V | 94.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.4 | -44.6 | 177.2 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | M665 L680 L691 F692 T698 V699 V709 | M665-V695 HydrophobicContact CE-CG1 4.34Å; M665-V695 HydrophobicContact CE-CG2 4.42Å; M665-V695 HydrophobicContact CG-CG2 4.37Å; M665-V695 HydrophobicContact SD-CG2 3.89Å; L680-V695 HydrophobicContact CD1-CG2 4.15Å; L691-V695 HydrophobicContact CG-CG2 4.38Å; L691-V695 VanDerWaalsContact O-CG2 3.25Å; L691-V695 WeakPolarHBondContact O-CG2 3.46Å; L691-V695 PolarHBondContact O-N 2.8Å; F692-V695 PolarHBondContact O-N 3.43Å; V695-T698 PolarHBondContact O-N 2.93Å; V695-V699 WeakPolarHBondContact O-CB 3.44Å; V695-V699 WeakPolarHBondContact O-CG2 3.24Å; V695-V699 PolarHBondContact O-N 3.41Å; V695-V709 HydrophobicContact CG1-CG1 3.48Å; V695-V709 VanDerWaalsContact CG1-CG1 3.48Å |
| 696 | L | 93.7 | Very high | 91.9 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.3 | -45.6 | 179.8 | -69.6 | 170.8 | 0 | 0 | 0 | 111.4 | F692 T698 V699 Q700 L724 C727 I728 A731 L751 F754 | F692-L696 VanDerWaalsContact O-CB 3.3Å; F692-L696 WeakPolarHBondContact O-CB 3.46Å; F692-L696 WeakPolarHBondContact O-CG 3.46Å; F692-L696 PolarHBondContact O-N 2.82Å; L696-T698 VanDerWaalsContact C-N 3.29Å; L696-T698 PolarHBondContact O-N 3.02Å; L696-V699 WeakPolarHBondContact O-CB 3.37Å; L696-V699 PolarHBondContact O-N 2.94Å; L696-V699 VanDerWaalsContact O-N 3.1Å; L696-Q700 WeakPolarHBondContact O-CG 3.37Å; L696-Q700 PolarHBondContact O-N 3.41Å; L696-L724 HydrophobicContact CD1-CD1 4.46Å; L696-L724 HydrophobicContact CD2-CD1 4.33Å; L696-L724 HydrophobicContact CG-CD1 4.48Å; L696-C727 HydrophobicContact CD1-CB 3.79Å; L696-C727 WeakPolarHBondContact CD1-O 3.19Å; L696-I728 HydrophobicContact CD1-CG1 4.12Å; L696-I728 HydrophobicContact CD2-CG1 3.83Å; L696-A731 HydrophobicContact CD1-CB 4.41Å; L696-L751 HydrophobicContact CD2-CD1 3.79Å; L696-F754 HydrophobicContact CD2-CD1 3.92Å; L696-F754 HydrophobicContact CD2-CE1 3.55Å; L696-F754 HydrophobicContact CD2-CZ 4.32Å |
| 697 | H | 92.2 | Very high | 92.1 | Very high | 104 Ų | 104 | 39.7 Ų | 39.7 | 48% | 0.481 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -57.1 | -41.9 | 172.9 | 179.2 | 69.1 | 0 | 0 | 0 | 112.2 | D693 Q700 L701 | D693-H697 WeakPolarHBondContact O-CB 3.49Å; D693-H697 PolarHBondContact O-N 3.25Å; H697-Q700 PolarHBondContact O-N 3.39Å; H697-L701 WeakPolarHBondContact O-CG 3.44Å; H697-L701 PolarHBondContact O-N 3.22Å |
| 698 | T | 92.5 | Very high | 92.3 | Very high | 15 Ų | 15 | 39.6 Ų | 39.6 | 9% | 0.092 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.3 | -36.8 | 176.4 | -51.9 | 0 | 0 | 0 | 0 | 111.9 | M665 H694 V695 L696 L701 F702 L705 | M665-T698 HydrophobicContact CE-CG2 3.61Å; H694-T698 PolarHBondContact CE1-OG1 3.49Å; H694-T698 WeakPolarHBondContact O-CB 3.26Å; H694-T698 PolarHBondContact O-N 3.42Å; H694-T698 PolarHBondContact O-OG1 3.27Å; V695-T698 PolarHBondContact O-N 2.93Å; L696-T698 VanDerWaalsContact C-N 3.29Å; L696-T698 PolarHBondContact O-N 3.02Å; T698-L701 PolarHBondContact O-N 3.19Å; T698-F702 HydrophobicContact CG2-CD2 3.97Å; T698-F702 WeakPolarHBondContact O-CB 3.34Å; T698-F702 WeakPolarHBondContact O-CD2 3.25Å; T698-F702 PolarHBondContact O-N 3.28Å; T698-L705 HydrophobicContact CG2-CD1 4.08Å |
| 699 | V | 92 | Very high | 92.4 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.9 | -39.2 | 176 | 153.7 | 0 | 0 | 0 | 0 | 112.4 | V695 L696 L701 F702 I706 V709 F754 | V695-V699 WeakPolarHBondContact O-CB 3.44Å; V695-V699 WeakPolarHBondContact O-CG2 3.24Å; V695-V699 PolarHBondContact O-N 3.41Å; L696-V699 WeakPolarHBondContact O-CB 3.37Å; L696-V699 PolarHBondContact O-N 2.94Å; L696-V699 VanDerWaalsContact O-N 3.1Å; V699-L701 VanDerWaalsContact C-N 3.29Å; V699-L701 PolarHBondContact O-N 3.37Å; V699-F702 PolarHBondContact O-N 3.38Å; V699-I706 HydrophobicContact CG1-CG1 4Å; V699-V709 HydrophobicContact CG2-CB 4.32Å; V699-V709 HydrophobicContact CG2-CG1 4.21Å; V699-V709 HydrophobicContact CG2-CG2 4.14Å; V699-F754 HydrophobicContact CG1-CB 3.78Å; V699-F754 HydrophobicContact CG1-CD2 4.13Å; V699-F754 HydrophobicContact CG1-CG 3.92Å; V699-F754 HydrophobicContact CG2-CD2 4.13Å; V699-F754 HydrophobicContact CG2-CE2 4.38Å |
| 700 | Q | 89.6 | Confident | 92.5 | Very high | 43 Ų | 43 | 39.7 Ų | 39.7 | 20% | 0.201 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.1 | -36.8 | 175.2 | -73.9 | 170.9 | -40.3 | 0 | 0 | 112 | L696 H697 | L696-Q700 WeakPolarHBondContact O-CG 3.37Å; L696-Q700 PolarHBondContact O-N 3.41Å; H697-Q700 PolarHBondContact O-N 3.39Å |
| 701 | L | 88.5 | Confident | 92.6 | Very high | 109 Ų | 109 | 43.4 Ų | 43.4 | 57% | 0.571 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -81.1 | -32.9 | 178.5 | -65.9 | 173.3 | 0 | 0 | 0 | 113.9 | H697 T698 V699 | H697-L701 WeakPolarHBondContact O-CG 3.44Å; H697-L701 PolarHBondContact O-N 3.22Å; T698-L701 PolarHBondContact O-N 3.19Å; V699-L701 VanDerWaalsContact C-N 3.29Å; V699-L701 PolarHBondContact O-N 3.37Å |
| 702 | F | 89.8 | Confident | 92.6 | Very high | 108 Ų | 108 | 43.5 Ų | 43.5 | 47% | 0.474 | 22% | 0.222 | S | C | . | . | trans | -129 | 80.8 | -168.4 | -61.7 | -70 | 0 | 0 | 0 | 112.5 | T698 V699 N704 L705 | T698-F702 HydrophobicContact CG2-CD2 3.97Å; T698-F702 WeakPolarHBondContact O-CB 3.34Å; T698-F702 WeakPolarHBondContact O-CD2 3.25Å; T698-F702 PolarHBondContact O-N 3.28Å; V699-F702 PolarHBondContact O-N 3.38Å; F702-N704 PolarHBondContact O-N 3.19Å; F702-N704 VanDerWaalsContact O-N 3.09Å; F702-L705 HydrophobicContact CB-CB 4.36Å; F702-L705 HydrophobicContact CB-CD1 3.81Å; F702-L705 HydrophobicContact CB-CG 4Å; F702-L705 HydrophobicContact CD2-CD1 4.48Å; F702-L705 HydrophobicContact CG-CD1 4.33Å; F702-L705 WeakPolarHBondContact O-CB 3.48Å; F702-L705 PolarHBondContact O-N 2.96Å | ||
| 703 | T | 89.1 | Confident | 92.6 | Very high | 83 Ų | 83 | 43.5 Ų | 43.5 | 51% | 0.509 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -57.6 | -26.3 | -178.5 | 60.4 | 0 | 0 | 0 | 0 | 114.4 | L705 I706 A750 | T703-L705 VanDerWaalsContact C-N 3.29Å; T703-L705 PolarHBondContact O-N 2.86Å; T703-I706 WeakPolarHBondContact O-CB 3.43Å; T703-I706 WeakPolarHBondContact O-CG1 3.11Å; T703-I706 PolarHBondContact O-N 3.41Å; T703-A750 HydrophobicContact CG2-CB 3.81Å |
| 704 | N | 91 | Very high | 92.6 | Very high | 116 Ų | 116 | 46.3 Ų | 46.3 | 62% | 0.62 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -68.2 | -23.3 | 174.7 | 63.5 | -42.1 | 0 | 0 | 0 | 113.7 | F702 | F702-N704 PolarHBondContact O-N 3.19Å; F702-N704 VanDerWaalsContact O-N 3.09Å |
| 705 | L | 92.4 | Very high | 92.6 | Very high | 29 Ų | 29 | 48.4 Ų | 48.4 | 15% | 0.152 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -83 | -12.9 | 177.5 | -65.7 | -179.6 | 0 | 0 | 0 | 113.6 | T698 F702 T703 N707 P708 V709 | T698-L705 HydrophobicContact CG2-CD1 4.08Å; F702-L705 HydrophobicContact CB-CB 4.36Å; F702-L705 HydrophobicContact CB-CD1 3.81Å; F702-L705 HydrophobicContact CB-CG 4Å; F702-L705 HydrophobicContact CD2-CD1 4.48Å; F702-L705 HydrophobicContact CG-CD1 4.33Å; F702-L705 WeakPolarHBondContact O-CB 3.48Å; F702-L705 PolarHBondContact O-N 2.96Å; T703-L705 VanDerWaalsContact C-N 3.29Å; T703-L705 PolarHBondContact O-N 2.86Å; L705-N707 PolarHBondContact O-N 2.79Å; L705-P708 VanDerWaalsContact O-CD 3.25Å; L705-P708 WeakPolarHBondContact O-CD 3.06Å; L705-V709 HydrophobicContact CB-CG2 4.35Å; L705-V709 VanDerWaalsContact O-CG2 3.28Å; L705-V709 WeakPolarHBondContact O-CG2 3.49Å; L705-V709 PolarHBondContact O-N 2.64Å |
| 706 | I | 93.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -51.2 | -50.3 | -176 | -70.1 | 171.6 | 0 | 0 | 0 | 112.4 | V699 T703 V709 V710 A750 L753 F754 L757 | V699-I706 HydrophobicContact CG1-CG1 4Å; T703-I706 WeakPolarHBondContact O-CB 3.43Å; T703-I706 WeakPolarHBondContact O-CG1 3.11Å; T703-I706 PolarHBondContact O-N 3.41Å; I706-V709 PolarHBondContact O-N 3.23Å; I706-V710 HydrophobicContact CG2-CG2 4.48Å; I706-V710 WeakPolarHBondContact O-CB 3.45Å; I706-V710 VanDerWaalsContact O-CG2 3.31Å; I706-V710 WeakPolarHBondContact O-CG2 3.37Å; I706-V710 PolarHBondContact O-N 3.07Å; I706-A750 HydrophobicContact CD1-CB 4.25Å; I706-L753 HydrophobicContact CD1-CB 4.4Å; I706-L753 HydrophobicContact CD1-CD2 3.96Å; I706-L753 HydrophobicContact CD1-CG 4.24Å; I706-L753 HydrophobicContact CG2-CG 4.47Å; I706-F754 HydrophobicContact CG2-CB 4.22Å; I706-F754 HydrophobicContact CG2-CD2 4.37Å; I706-L757 HydrophobicContact CG2-CD1 3.71Å |
| 707 | N | 94.2 | Very high | 92.5 | Very high | 79 Ų | 79 | 49 Ų | 49 | 42% | 0.422 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.3 | -50.3 | -179 | -70.3 | -67.8 | 0 | 0 | 0 | 112.5 | L705 V709 V710 E711 | L705-N707 PolarHBondContact O-N 2.79Å; N707-V709 VanDerWaalsContact C-N 3.28Å; N707-V709 PolarHBondContact O-N 2.89Å; N707-V710 PolarHBondContact O-N 3.14Å; N707-E711 WeakPolarHBondContact O-CG 3.27Å; N707-E711 PolarHBondContact O-N 3.19Å |
| 708 | P | 94 | Very high | 92.6 | Very high | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.032 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -50.1 | -41.9 | 169.6 | -30.4 | 34.2 | 0 | 0 | 0 | 114.7 | L668 K670 V673 L705 E711 A712 | L668-P708 HydrophobicContact CD1-CB 4.34Å; L668-P708 HydrophobicContact CD2-CB 4.24Å; L668-P708 HydrophobicContact CG-CB 3.99Å; K670-P708 HydrophobicContact CG-CG 4.03Å; V673-P708 HydrophobicContact CG2-CB 4.43Å; L705-P708 VanDerWaalsContact O-CD 3.25Å; L705-P708 WeakPolarHBondContact O-CD 3.06Å; P708-E711 PolarHBondContact O-N 3.29Å; P708-A712 WeakPolarHBondContact O-CB 3.12Å; P708-A712 PolarHBondContact O-N 3.32Å |
| 709 | V | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.4 | -48.8 | 177.8 | 175.7 | 0 | 0 | 0 | 0 | 111 | M665 L668 V695 V699 L705 I706 N707 E711 A712 L713 F754 | M665-V709 HydrophobicContact CE-CG2 3.78Å; M665-V709 HydrophobicContact SD-CG2 4.49Å; L668-V709 HydrophobicContact CD2-CB 4.37Å; L668-V709 HydrophobicContact CD2-CG2 3.58Å; V695-V709 HydrophobicContact CG1-CG1 3.48Å; V695-V709 VanDerWaalsContact CG1-CG1 3.48Å; V699-V709 HydrophobicContact CG2-CB 4.32Å; V699-V709 HydrophobicContact CG2-CG1 4.21Å; V699-V709 HydrophobicContact CG2-CG2 4.14Å; L705-V709 HydrophobicContact CB-CG2 4.35Å; L705-V709 VanDerWaalsContact O-CG2 3.28Å; L705-V709 WeakPolarHBondContact O-CG2 3.49Å; L705-V709 PolarHBondContact O-N 2.64Å; I706-V709 PolarHBondContact O-N 3.23Å; N707-V709 VanDerWaalsContact C-N 3.28Å; N707-V709 PolarHBondContact O-N 2.89Å; V709-E711 PolarHBondContact O-N 3.17Å; V709-E711 VanDerWaalsContact O-N 3.13Å; V709-A712 PolarHBondContact O-N 3.14Å; V709-L713 HydrophobicContact CG1-CD1 3.84Å; V709-L713 HydrophobicContact CG1-CG 4.2Å; V709-L713 WeakPolarHBondContact O-CB 3.11Å; V709-L713 VanDerWaalsContact O-CG 3.26Å; V709-L713 WeakPolarHBondContact O-CG 3.31Å; V709-L713 PolarHBondContact O-N 2.85Å; V709-F754 HydrophobicContact CG1-CE2 3.8Å |
| 710 | V | 94.8 | Very high | 92.7 | Very high | 6 Ų | 6 | 45.5 Ų | 45.5 | 4% | 0.036 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.4 | -19.5 | 176.5 | 171.5 | 0 | 0 | 0 | 0 | 112.1 | I706 N707 F754 L757 K761 Y762 | I706-V710 HydrophobicContact CG2-CG2 4.48Å; I706-V710 WeakPolarHBondContact O-CB 3.45Å; I706-V710 VanDerWaalsContact O-CG2 3.31Å; I706-V710 WeakPolarHBondContact O-CG2 3.37Å; I706-V710 PolarHBondContact O-N 3.07Å; N707-V710 PolarHBondContact O-N 3.14Å; V710-F754 HydrophobicContact CG2-CD2 3.6Å; V710-F754 HydrophobicContact CG2-CE2 3.63Å; V710-L757 HydrophobicContact CG1-CB 4.35Å; V710-L757 HydrophobicContact CG2-CB 4.28Å; V710-K761 HydrophobicContact CG1-CD 3.65Å; V710-K761 PolarHBondContact O-NZ 2.95Å; V710-Y762 HydrophobicContact CG1-CE2 4.47Å; V710-Y762 WeakPolarHBondContact O-CE2 3.38Å; V710-Y762 PolarHBondContact O-OH 3.12Å |
| 711 | E | 93.6 | Very high | 92.9 | Very high | 94 Ų | 94 | 44.5 Ų | 44.5 | 44% | 0.439 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -88.2 | -36.3 | 168.6 | -64.9 | 173.3 | -153.1 | 0 | 0 | 114.6 | V673 N707 P708 V709 L713 K714 K761 | V673-E711 HydrophobicContact CG1-CB 3.34Å; N707-E711 WeakPolarHBondContact O-CG 3.27Å; N707-E711 PolarHBondContact O-N 3.19Å; P708-E711 PolarHBondContact O-N 3.29Å; V709-E711 PolarHBondContact O-N 3.17Å; V709-E711 VanDerWaalsContact O-N 3.13Å; E711-L713 VanDerWaalsContact C-N 3.33Å; E711-L713 PolarHBondContact O-N 3.47Å; E711-K714 WeakPolarHBondContact O-CB 3.28Å; E711-K714 PolarHBondContact O-N 3.25Å; E711-K761 VanDerWaalsContact CA-NZ 3.31Å; E711-K761 VanDerWaalsContact CG-NZ 3.27Å |
| 712 | A | 93.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.7 | -36.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L668 V673 G677 L680 P708 V709 K714 | L668-A712 HydrophobicContact CD1-CB 3.98Å; L668-A712 HydrophobicContact CD2-CB 4.17Å; V673-A712 HydrophobicContact CG1-CB 4.5Å; G677-A712 VanDerWaalsContact CA-O 3.24Å; G677-A712 WeakPolarHBondContact CA-O 3.37Å; L680-A712 HydrophobicContact CD2-CB 3.82Å; P708-A712 WeakPolarHBondContact O-CB 3.12Å; P708-A712 PolarHBondContact O-N 3.32Å; V709-A712 PolarHBondContact O-N 3.14Å; A712-K714 PolarHBondContact O-N 3.05Å |
| 713 | L | 94.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -65.4 | 4.9 | 177.8 | -69.3 | 169.6 | 0 | 0 | 0 | 114.9 | L680 F692 V709 E711 Y715 V716 Y721 L724 F754 L758 Y762 | L680-L713 HydrophobicContact CD2-CD2 3.79Å; L680-L713 HydrophobicContact CD2-CG 4.18Å; F692-L713 HydrophobicContact CD1-CD2 4.28Å; F692-L713 HydrophobicContact CE1-CD2 3.62Å; V709-L713 HydrophobicContact CG1-CD1 3.84Å; V709-L713 HydrophobicContact CG1-CG 4.2Å; V709-L713 WeakPolarHBondContact O-CB 3.11Å; V709-L713 VanDerWaalsContact O-CG 3.26Å; V709-L713 WeakPolarHBondContact O-CG 3.31Å; V709-L713 PolarHBondContact O-N 2.85Å; E711-L713 VanDerWaalsContact C-N 3.33Å; E711-L713 PolarHBondContact O-N 3.47Å; L713-Y715 PolarHBondContact O-N 3.01Å; L713-V716 HydrophobicContact CB-CG2 4.3Å; L713-V716 HydrophobicContact CD2-CG2 3.74Å; L713-V716 WeakPolarHBondContact O-CG2 3.26Å; L713-V716 PolarHBondContact O-N 3.37Å; L713-Y721 PolarHBondContact O-OH 3.22Å; L713-L724 HydrophobicContact CD1-CD2 4.08Å; L713-F754 HydrophobicContact CD1-CE2 3.92Å; L713-F754 HydrophobicContact CD1-CZ 3.74Å; L713-L758 HydrophobicContact CD1-CD1 3.93Å; L713-Y762 HydrophobicContact CB-CE2 4.32Å |
| 714 | K | 93.8 | Very high | 93.6 | Very high | 143 Ų | 143 | 30.3 Ų | 30.3 | 62% | 0.622 | 15% | 0.15 | S | C | * | . | G | 310 helix | trans | -62.7 | -25.4 | 177 | 179.6 | 174.1 | 178 | -178 | 0 | 113.6 | E711 A712 Y762 | E711-K714 WeakPolarHBondContact O-CB 3.28Å; E711-K714 PolarHBondContact O-N 3.25Å; A712-K714 PolarHBondContact O-N 3.05Å; K714-Y762 WeakPolarHBondContact CA-OH 3.27Å; K714-Y762 HydrophobicContact CB-CE1 4.4Å; K714-Y762 PolarHBondContact N-OH 3.48Å |
| 715 | Y | 92.4 | Very high | 93.7 | Very high | 78 Ų | 78 | 24.8 Ų | 24.8 | 31% | 0.306 | 12% | 0.121 | S | C | . | . | G | 310 helix | trans | -100.5 | 19.3 | -174.4 | -53.7 | -85.3 | 0 | 0 | 0 | 113.3 | G677 R678 G681 H685 L713 | G677-Y715 WeakPolarHBondContact O-CD2 2.99Å; R678-Y715 HydrophobicContact CG-CD1 4.2Å; R678-Y715 HydrophobicContact CG-CD2 4.16Å; R678-Y715 HydrophobicContact CG-CE1 3.9Å; R678-Y715 HydrophobicContact CG-CE2 3.84Å; R678-Y715 HydrophobicContact CG-CG 4.3Å; G681-Y715 VanDerWaalsContact CA-O 3.27Å; G681-Y715 WeakPolarHBondContact CA-O 3.45Å; H685-Y715 PolarHBondContact CE1-O 3.31Å; H685-Y715 VanDerWaalsContact CE1-O 3.27Å; L713-Y715 PolarHBondContact O-N 3.01Å |
| 716 | V | 93.1 | Very high | 93.8 | Very high | 12 Ų | 12 | 24.8 Ų | 24.8 | 7% | 0.073 | 12% | 0.119 | C | C | . | . | trans | -83.8 | 141.9 | 176.4 | 175.4 | 0 | 0 | 0 | 0 | 109.3 | F692 L713 Y721 | F692-V716 HydrophobicContact CE1-CG2 4.31Å; F692-V716 HydrophobicContact CZ-CG1 3.8Å; F692-V716 HydrophobicContact CZ-CG2 4.11Å; L713-V716 HydrophobicContact CB-CG2 4.3Å; L713-V716 HydrophobicContact CD2-CG2 3.74Å; L713-V716 WeakPolarHBondContact O-CG2 3.26Å; L713-V716 PolarHBondContact O-N 3.37Å; V716-Y721 HydrophobicContact CB-CD1 4.46Å; V716-Y721 HydrophobicContact CB-CE1 3.98Å; V716-Y721 HydrophobicContact CB-CE2 4.26Å; V716-Y721 HydrophobicContact CG1-CD1 4.23Å; V716-Y721 HydrophobicContact CG1-CD2 4.43Å; V716-Y721 HydrophobicContact CG1-CE1 4.26Å; V716-Y721 HydrophobicContact CG1-CE2 4.48Å; V716-Y721 HydrophobicContact CG1-CG 4.3Å; V716-Y721 VanDerWaalsContact O-CE2 3.27Å; V716-Y721 WeakPolarHBondContact O-CE2 3.21Å | ||
| 717 | S | 93.1 | Very high | 93.9 | Very high | 3 Ų | 3 | 24.9 Ų | 24.9 | 2% | 0.021 | 12% | 0.12 | C | C | . | . | trans | -74.8 | 164.1 | 175.5 | 39.3 | 0 | 0 | 0 | 0 | 112.1 | E618 H685 L719 G720 Y721 | E618-S717 VanDerWaalsContact OE1-CA 3.32Å; E618-S717 WeakPolarHBondContact OE1-CA 3.3Å; E618-S717 WeakPolarHBondContact OE1-CB 3.33Å; H685-S717 PolarHBondContact ND1-OG 3.31Å; H685-S717 VanDerWaalsContact ND1-OG 3.15Å; S717-L719 VanDerWaalsContact C-N 3.31Å; S717-L719 PolarHBondContact O-N 3.01Å; S717-G720 WeakPolarHBondContact O-CA 3.17Å; S717-G720 PolarHBondContact O-N 3.19Å; S717-Y721 WeakPolarHBondContact O-CD2 3.32Å; S717-Y721 PolarHBondContact O-N 3.11Å; S717-Y721 VanDerWaalsContact O-N 3.07Å | ||
| 718 | S | 93.2 | Very high | 93.8 | Very high | 45 Ų | 45 | 21.2 Ų | 21.2 | 32% | 0.315 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -51.9 | -47.5 | 176.7 | -50.1 | 0 | 0 | 0 | 0 | 112.2 | E618 W621 G720 Y721 D722 | E618-S718 VanDerWaalsContact CD-OG 3.29Å; E618-S718 PolarHBondContact OE1-N 3.15Å; E618-S718 PolarHBondContact OE1-OG 3.43Å; E618-S718 VanDerWaalsContact OE1-OG 3.08Å; E618-S718 VanDerWaalsContact OE2-CB 3.28Å; E618-S718 WeakPolarHBondContact OE2-CB 3.31Å; E618-S718 PolarHBondContact OE2-OG 3.2Å; W621-S718 VanDerWaalsContact NE1-CB 3.34Å; S718-G720 PolarHBondContact O-N 3.07Å; S718-Y721 PolarHBondContact O-N 2.68Å; S718-D722 PolarHBondContact O-N 3.25Å |
| 719 | L | 93.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -54.5 | -40.2 | 171.9 | -177.1 | 59.8 | 0 | 0 | 0 | 112.4 | L607 A617 I620 W621 L624 Y636 S717 D722 M723 | L607-L719 HydrophobicContact CD2-CD2 3.79Å; A617-L719 HydrophobicContact CB-CD2 4.18Å; I620-L719 HydrophobicContact CG2-CD2 4.17Å; W621-L719 HydrophobicContact CB-CB 4.23Å; W621-L719 HydrophobicContact CE3-CD1 4.27Å; L624-L719 HydrophobicContact CD1-CD1 3.62Å; Y636-L719 HydrophobicContact CE1-CD1 4.01Å; S717-L719 VanDerWaalsContact C-N 3.31Å; S717-L719 PolarHBondContact O-N 3.01Å; L719-D722 PolarHBondContact O-N 3.06Å; L719-M723 WeakPolarHBondContact O-CB 3.27Å; L719-M723 PolarHBondContact O-N 3.29Å |
| 720 | G | 93.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -69.4 | -35.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | F692 S717 S718 L724 | F692-G720 WeakPolarHBondContact CE2-O 3.16Å; S717-G720 WeakPolarHBondContact O-CA 3.17Å; S717-G720 PolarHBondContact O-N 3.19Å; S718-G720 PolarHBondContact O-N 3.07Å; G720-L724 WeakPolarHBondContact O-CB 3.28Å; G720-L724 PolarHBondContact O-N 3.33Å |
| 721 | Y | 94 | Very high | 93.5 | Very high | 22 Ų | 22 | 24.5 Ų | 24.5 | 9% | 0.086 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -69.9 | -35.3 | 174.4 | -66.9 | -63.4 | 0 | 0 | 0 | 112.6 | L713 V716 S717 S718 L724 T725 Y762 | L713-Y721 PolarHBondContact O-OH 3.22Å; V716-Y721 HydrophobicContact CB-CD1 4.46Å; V716-Y721 HydrophobicContact CB-CE1 3.98Å; V716-Y721 HydrophobicContact CB-CE2 4.26Å; V716-Y721 HydrophobicContact CG1-CD1 4.23Å; V716-Y721 HydrophobicContact CG1-CD2 4.43Å; V716-Y721 HydrophobicContact CG1-CE1 4.26Å; V716-Y721 HydrophobicContact CG1-CE2 4.48Å; V716-Y721 HydrophobicContact CG1-CG 4.3Å; V716-Y721 VanDerWaalsContact O-CE2 3.27Å; V716-Y721 WeakPolarHBondContact O-CE2 3.21Å; S717-Y721 WeakPolarHBondContact O-CD2 3.32Å; S717-Y721 PolarHBondContact O-N 3.11Å; S717-Y721 VanDerWaalsContact O-N 3.07Å; S718-Y721 PolarHBondContact O-N 2.68Å; Y721-L724 PolarHBondContact O-N 3.07Å; Y721-T725 PolarHBondContact O-N 3.21Å; Y721-T725 PolarHBondContact O-OG1 2.83Å; Y721-Y762 HydrophobicContact CD1-CG 4.45Å; Y721-Y762 HydrophobicContact CE1-CD1 4.1Å; Y721-Y762 AromaticContact CE1-CD2 3.82Å; Y721-Y762 HydrophobicContact CE1-CD2 3.82Å; Y721-Y762 HydrophobicContact CE1-CE2 4.36Å; Y721-Y762 AromaticContact CE1-CG 3.67Å; Y721-Y762 HydrophobicContact CE1-CG 3.67Å; Y721-Y762 AromaticContact CZ-CD1 3.82Å; Y721-Y762 AromaticContact CZ-CG 3.86Å; Y721-Y762 WeakPolarHBondContact OH-CD1 3.2Å; Y721-Y762 WeakPolarHBondContact OH-CE1 3.34Å |
| 722 | D | 93.8 | Very high | 93.2 | Very high | 3 Ų | 3 | 20.2 Ų | 20.2 | 2% | 0.016 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -69.7 | -43.8 | 175.4 | -163.6 | 43.5 | 0 | 0 | 0 | 111.4 | W621 R632 Y636 S718 L719 L724 T725 F726 | W621-D722 HydrophobicContact CH2-CB 3.87Å; W621-D722 HydrophobicContact CZ3-CB 3.68Å; W621-D722 WeakPolarHBondContact CZ3-OD2 3.37Å; R632-D722 IonicContact CZ-OD2 3.55Å; R632-D722 IonicContact NH1-OD1 3.93Å; R632-D722 PolarHBondContact NH1-OD1 3.34Å; R632-D722 IonicContact NH1-OD2 3.64Å; R632-D722 PolarHBondContact NH1-OD2 2.98Å; Y636-D722 HydrophobicContact CE2-CB 4.29Å; Y636-D722 WeakPolarHBondContact CE2-OD2 3.29Å; Y636-D722 PolarHBondContact OH-OD2 3.43Å; S718-D722 PolarHBondContact O-N 3.25Å; L719-D722 PolarHBondContact O-N 3.06Å; D722-L724 VanDerWaalsContact C-N 3.34Å; D722-L724 PolarHBondContact O-N 3.26Å; D722-T725 WeakPolarHBondContact O-CB 3.44Å; D722-T725 PolarHBondContact O-N 3.07Å; D722-T725 VanDerWaalsContact O-N 3.1Å; D722-F726 PolarHBondContact O-N 3.06Å |
| 723 | M | 93.6 | Very high | 93 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.6 | -38.4 | 172.3 | -170 | 67 | -176.6 | 0 | 0 | 112.6 | Y636 W639 K640 P688 G689 L719 T725 F726 C727 | Y636-M723 WeakPolarHBondContact CB-SD 3.25Å; Y636-M723 HydrophobicContact CD1-SD 3.8Å; Y636-M723 HydrophobicContact CD2-SD 3.72Å; Y636-M723 HydrophobicContact CE2-SD 4.46Å; Y636-M723 HydrophobicContact CG-CE 4.47Å; Y636-M723 HydrophobicContact CG-SD 3.36Å; W639-M723 HydrophobicContact CE3-CE 4.46Å; W639-M723 HydrophobicContact CE3-SD 4.43Å; K640-M723 HydrophobicContact CB-CE 4.18Å; P688-M723 HydrophobicContact CB-CB 4.01Å; P688-M723 HydrophobicContact CB-CG 3.85Å; P688-M723 HydrophobicContact CG-CB 4.22Å; P688-M723 HydrophobicContact CG-CG 3.97Å; G689-M723 VanDerWaalsContact CA-CE 3.43Å; L719-M723 WeakPolarHBondContact O-CB 3.27Å; L719-M723 PolarHBondContact O-N 3.29Å; M723-T725 VanDerWaalsContact C-N 3.29Å; M723-T725 PolarHBondContact O-N 3.31Å; M723-F726 HydrophobicContact CE-CD1 4.01Å; M723-F726 HydrophobicContact CE-CE1 4.27Å; M723-F726 WeakPolarHBondContact O-CB 3.18Å; M723-F726 PolarHBondContact O-N 3.45Å; M723-F726 HydrophobicContact SD-CD1 4.12Å; M723-C727 PolarHBondContact O-N 3.48Å; M723-C727 PolarHBondContact O-SG 3.03Å |
| 724 | L | 94.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.8 | -36.6 | 173.5 | 174.6 | 57.2 | 0 | 0 | 0 | 111.4 | F692 L696 L713 G720 Y721 D722 C727 I728 F754 L758 | F692-L724 HydrophobicContact CB-CD1 3.84Å; F692-L724 HydrophobicContact CD1-CB 4.46Å; F692-L724 HydrophobicContact CD1-CD1 3.91Å; F692-L724 HydrophobicContact CD2-CB 3.72Å; F692-L724 HydrophobicContact CD2-CD1 4.34Å; F692-L724 HydrophobicContact CE2-CB 3.91Å; F692-L724 HydrophobicContact CG-CB 4.04Å; F692-L724 HydrophobicContact CG-CD1 3.76Å; F692-L724 HydrophobicContact CG-CG 4.41Å; F692-L724 HydrophobicContact CZ-CB 4.37Å; L696-L724 HydrophobicContact CD1-CD1 4.46Å; L696-L724 HydrophobicContact CD2-CD1 4.33Å; L696-L724 HydrophobicContact CG-CD1 4.48Å; L713-L724 HydrophobicContact CD1-CD2 4.08Å; G720-L724 WeakPolarHBondContact O-CB 3.28Å; G720-L724 PolarHBondContact O-N 3.33Å; Y721-L724 PolarHBondContact O-N 3.07Å; D722-L724 VanDerWaalsContact C-N 3.34Å; D722-L724 PolarHBondContact O-N 3.26Å; L724-C727 PolarHBondContact O-N 2.67Å; L724-I728 HydrophobicContact CD1-CD1 4.22Å; L724-I728 HydrophobicContact CD1-CG1 4.3Å; L724-I728 HydrophobicContact CG-CD1 4.15Å; L724-I728 VanDerWaalsContact O-CG1 3.25Å; L724-I728 WeakPolarHBondContact O-CG1 3.48Å; L724-I728 PolarHBondContact O-N 3.44Å; L724-F754 HydrophobicContact CD1-CE1 4.34Å; L724-F754 HydrophobicContact CD1-CZ 4.47Å; L724-L758 HydrophobicContact CD2-CD1 3.94Å; L724-L758 HydrophobicContact CD2-CD2 3.6Å; L724-L758 HydrophobicContact CD2-CG 4.42Å; L724-L758 HydrophobicContact CG-CD2 4.01Å |
| 725 | T | 93.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.3 | -42.9 | 176.7 | -53.2 | 0 | 0 | 0 | 0 | 111.2 | Y633 Y721 D722 M723 I728 I729 F764 L769 | Y633-T725 WeakPolarHBondContact OH-CG2 3.3Å; Y721-T725 PolarHBondContact O-N 3.21Å; Y721-T725 PolarHBondContact O-OG1 2.83Å; D722-T725 WeakPolarHBondContact O-CB 3.44Å; D722-T725 PolarHBondContact O-N 3.07Å; D722-T725 VanDerWaalsContact O-N 3.1Å; M723-T725 VanDerWaalsContact C-N 3.29Å; M723-T725 PolarHBondContact O-N 3.31Å; T725-I728 PolarHBondContact O-N 2.84Å; T725-I729 HydrophobicContact CG2-CD1 4.42Å; T725-I729 WeakPolarHBondContact O-CG1 3.45Å; T725-I729 PolarHBondContact O-N 3.42Å; T725-I729 VanDerWaalsContact O-N 3.13Å; T725-F764 HydrophobicContact CG2-CD2 4.43Å; T725-F764 HydrophobicContact CG2-CE2 4.4Å; T725-F764 WeakPolarHBondContact OG1-CD2 3.46Å; T725-F764 WeakPolarHBondContact OG1-CE2 3.2Å; T725-L769 HydrophobicContact CG2-CB 4.33Å |
| 726 | F | 94.7 | Very high | 89.6 | Confident | 29 Ų | 29 | 27.9 Ų | 27.9 | 13% | 0.127 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.3 | -49.3 | 169.8 | 170.9 | -100.5 | 0 | 0 | 0 | 112.2 | Y633 Y636 D722 M723 I728 I729 E730 | Y633-F726 HydrophobicContact CD1-CB 4.05Å; Y633-F726 HydrophobicContact CD1-CD2 4.31Å; Y633-F726 HydrophobicContact CD2-CD2 4.13Å; Y633-F726 HydrophobicContact CE1-CB 4.16Å; Y633-F726 HydrophobicContact CG-CB 4.29Å; Y633-F726 AromaticContact CG-CD2 3.79Å; Y633-F726 HydrophobicContact CG-CD2 3.79Å; Y633-F726 HydrophobicContact CG-CG 4.47Å; Y633-F726 VanDerWaalsContact O-CE2 3.29Å; Y633-F726 WeakPolarHBondContact O-CE2 3.18Å; Y636-F726 HydrophobicContact CD2-CB 3.88Å; Y636-F726 HydrophobicContact CD2-CG 4.13Å; D722-F726 PolarHBondContact O-N 3.06Å; M723-F726 HydrophobicContact CE-CD1 4.01Å; M723-F726 HydrophobicContact CE-CE1 4.27Å; M723-F726 WeakPolarHBondContact O-CB 3.18Å; M723-F726 PolarHBondContact O-N 3.45Å; M723-F726 HydrophobicContact SD-CD1 4.12Å; F726-I728 VanDerWaalsContact C-N 3.32Å; F726-I728 PolarHBondContact O-N 2.71Å; F726-I729 PolarHBondContact O-N 3.41Å; F726-I729 VanDerWaalsContact O-N 3.14Å; F726-E730 WeakPolarHBondContact O-CB 3.25Å; F726-E730 PolarHBondContact O-N 3.1Å |
| 727 | C | 94.6 | Very high | 88.3 | Confident | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.02 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.2 | -28.5 | 179.1 | -69.7 | 0 | 0 | 0 | 0 | 113.8 | F692 L696 M723 L724 A731 | F692-C727 HydrophobicContact CB-CB 4.18Å; L696-C727 HydrophobicContact CD1-CB 3.79Å; L696-C727 WeakPolarHBondContact CD1-O 3.19Å; M723-C727 PolarHBondContact O-N 3.48Å; M723-C727 PolarHBondContact O-SG 3.03Å; L724-C727 PolarHBondContact O-N 2.67Å; C727-A731 WeakPolarHBondContact O-CB 3.36Å; C727-A731 PolarHBondContact O-N 2.74Å |
| 728 | I | 93.5 | Very high | 87.2 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.2 | -46.4 | 170.6 | -72.5 | 162.5 | 0 | 0 | 0 | 110.3 | L696 L724 T725 F726 E730 A731 L732 L751 F754 T755 L758 L769 | L696-I728 HydrophobicContact CD1-CG1 4.12Å; L696-I728 HydrophobicContact CD2-CG1 3.83Å; L724-I728 HydrophobicContact CD1-CD1 4.22Å; L724-I728 HydrophobicContact CD1-CG1 4.3Å; L724-I728 HydrophobicContact CG-CD1 4.15Å; L724-I728 VanDerWaalsContact O-CG1 3.25Å; L724-I728 WeakPolarHBondContact O-CG1 3.48Å; L724-I728 PolarHBondContact O-N 3.44Å; T725-I728 PolarHBondContact O-N 2.84Å; F726-I728 VanDerWaalsContact C-N 3.32Å; F726-I728 PolarHBondContact O-N 2.71Å; I728-E730 VanDerWaalsContact C-N 3.33Å; I728-E730 PolarHBondContact O-N 3.14Å; I728-A731 PolarHBondContact O-N 3.1Å; I728-L732 HydrophobicContact CG2-CD1 3.87Å; I728-L732 WeakPolarHBondContact O-CB 3.42Å; I728-L732 VanDerWaalsContact O-CG 3.24Å; I728-L732 WeakPolarHBondContact O-CG 3.36Å; I728-L732 PolarHBondContact O-N 2.87Å; I728-L751 HydrophobicContact CG1-CD1 4.41Å; I728-L751 HydrophobicContact CG2-CD1 4.35Å; I728-F754 HydrophobicContact CD1-CD1 4.48Å; I728-F754 HydrophobicContact CD1-CE1 4.05Å; I728-F754 HydrophobicContact CG1-CE1 4.41Å; I728-T755 HydrophobicContact CG2-CG2 4.34Å; I728-L758 HydrophobicContact CD1-CD2 3.85Å; I728-L769 HydrophobicContact CG2-CD1 4.17Å |
| 729 | I | 93.1 | Very high | 85.9 | Confident | 26 Ų | 26 | 32.9 Ų | 32.9 | 13% | 0.133 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.7 | -41.6 | 177.8 | -67.7 | 163.4 | 0 | 0 | 0 | 110.9 | Y633 T725 F726 L732 A733 L769 Y772 | Y633-I729 HydrophobicContact CD2-CD1 4.48Å; Y633-I729 HydrophobicContact CE2-CD1 3.68Å; T725-I729 HydrophobicContact CG2-CD1 4.42Å; T725-I729 WeakPolarHBondContact O-CG1 3.45Å; T725-I729 PolarHBondContact O-N 3.42Å; T725-I729 VanDerWaalsContact O-N 3.13Å; F726-I729 PolarHBondContact O-N 3.41Å; F726-I729 VanDerWaalsContact O-N 3.14Å; I729-L732 PolarHBondContact O-N 3.12Å; I729-A733 WeakPolarHBondContact O-CB 3.38Å; I729-A733 PolarHBondContact O-N 3.37Å; I729-L769 HydrophobicContact CG1-CD1 4.17Å; I729-Y772 HydrophobicContact CG2-CD2 3.67Å; I729-Y772 HydrophobicContact CG2-CE2 4.21Å; I729-Y772 HydrophobicContact CG2-CG 4.13Å |
| 730 | E | 92.3 | Very high | 84.3 | Confident | 35 Ų | 35 | 37 Ų | 37 | 16% | 0.164 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.2 | -46.1 | 175.6 | -168.7 | -174.2 | -177.9 | 0 | 0 | 112.2 | K640 H641 F726 I728 L732 A733 T734 | K640-E730 WeakPolarHBondContact CD-OE2 3.34Å; K640-E730 IonicContact NZ-OE1 3.2Å; K640-E730 PolarHBondContact NZ-OE1 3.48Å; K640-E730 IonicContact NZ-OE2 3.76Å; K640-E730 PolarHBondContact NZ-OE2 3.26Å; H641-E730 IonicContact CD2-OE1 2.95Å; H641-E730 IonicContact CE1-OE1 3.95Å; H641-E730 PolarHBondContact CE1-OE1 2.95Å; H641-E730 VanDerWaalsContact CE1-OE1 3.31Å; H641-E730 IonicContact NE2-OE1 3.25Å; H641-E730 PolarHBondContact NE2-OE1 3.09Å; F726-E730 WeakPolarHBondContact O-CB 3.25Å; F726-E730 PolarHBondContact O-N 3.1Å; I728-E730 VanDerWaalsContact C-N 3.33Å; I728-E730 PolarHBondContact O-N 3.14Å; E730-L732 PolarHBondContact O-N 3.47Å; E730-A733 PolarHBondContact O-N 2.94Å; E730-T734 WeakPolarHBondContact O-CB 3.41Å; E730-T734 PolarHBondContact O-N 2.88Å; E730-T734 PolarHBondContact O-OG1 3.17Å |
| 731 | A | 90.8 | Very high | 82.6 | Confident | 19 Ų | 19 | 44.7 Ų | 44.7 | 16% | 0.157 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.8 | -40.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L696 C727 I728 A733 T734 D735 L751 | L696-A731 HydrophobicContact CD1-CB 4.41Å; C727-A731 WeakPolarHBondContact O-CB 3.36Å; C727-A731 PolarHBondContact O-N 2.74Å; I728-A731 PolarHBondContact O-N 3.1Å; A731-A733 VanDerWaalsContact C-N 3.33Å; A731-T734 PolarHBondContact O-N 3.38Å; A731-D735 PolarHBondContact O-N 3.15Å; A731-D735 VanDerWaalsContact O-N 3.17Å; A731-L751 HydrophobicContact CB-CD2 3.93Å |
| 732 | L | 88.6 | Confident | 81.3 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.5 | -30.4 | 175 | -71.7 | 167.6 | 0 | 0 | 0 | 113.2 | I728 I729 E730 K738 L748 L751 L769 Y772 I787 | I728-L732 HydrophobicContact CG2-CD1 3.87Å; I728-L732 WeakPolarHBondContact O-CB 3.42Å; I728-L732 VanDerWaalsContact O-CG 3.24Å; I728-L732 WeakPolarHBondContact O-CG 3.36Å; I728-L732 PolarHBondContact O-N 2.87Å; I729-L732 PolarHBondContact O-N 3.12Å; E730-L732 PolarHBondContact O-N 3.47Å; L732-K738 WeakPolarHBondContact O-CE 3.45Å; L732-K738 PolarHBondContact O-NZ 2.57Å; L732-L748 HydrophobicContact CD2-CD1 3.64Å; L732-L751 HydrophobicContact CD2-CD2 3.7Å; L732-L751 HydrophobicContact CD2-CG 4.14Å; L732-L751 HydrophobicContact CG-CD2 3.82Å; L732-L751 HydrophobicContact CG-CG 4.42Å; L732-L769 HydrophobicContact CD1-CD1 4.32Å; L732-Y772 HydrophobicContact CB-CE1 3.81Å; L732-Y772 HydrophobicContact CD1-CD1 4.38Å; L732-Y772 HydrophobicContact CD1-CE1 4.08Å; L732-Y772 PolarHBondContact O-OH 3.47Å; L732-I787 HydrophobicContact CD1-CD1 3.44Å; L732-I787 VanDerWaalsContact CD1-CD1 3.44Å; L732-I787 HydrophobicContact CD1-CG1 4.36Å; L732-I787 HydrophobicContact CD2-CD1 3.72Å; L732-I787 HydrophobicContact CD2-CG1 4.29Å; L732-I787 HydrophobicContact CG-CD1 4.19Å |
| 733 | A | 87.3 | Confident | 80.2 | Confident | 67 Ų | 67 | 51 Ų | 51 | 55% | 0.554 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -76.2 | -26.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | I729 E730 A731 Y772 | I729-A733 WeakPolarHBondContact O-CB 3.38Å; I729-A733 PolarHBondContact O-N 3.37Å; E730-A733 PolarHBondContact O-N 2.94Å; A731-A733 VanDerWaalsContact C-N 3.33Å; A733-Y772 HydrophobicContact CB-CE2 4.41Å; A733-Y772 PolarHBondContact N-OH 3.23Å |
| 734 | T | 81.2 | Confident | 79.3 | Confident | 100 Ų | 100 | 51.5 Ų | 51.5 | 61% | 0.613 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -86 | -31.8 | -174.5 | -55.2 | 0 | 0 | 0 | 0 | 113.3 | E730 A731 Q736 | E730-T734 WeakPolarHBondContact O-CB 3.41Å; E730-T734 PolarHBondContact O-N 2.88Å; E730-T734 PolarHBondContact O-OG1 3.17Å; A731-T734 PolarHBondContact O-N 3.38Å; T734-Q736 PolarHBondContact O-N 3.46Å |
| 735 | D | 67.4 | Low | 78.7 | Confident | 25 Ų | 25 | 51.7 Ų | 51.7 | 13% | 0.134 | 28% | 0.282 | C | S | . | . | trans | -67.9 | 96.8 | 176.3 | -173.6 | 8.5 | 0 | 0 | 0 | 110.9 | A731 S737 K738 S745 | A731-D735 PolarHBondContact O-N 3.15Å; A731-D735 VanDerWaalsContact O-N 3.17Å; D735-S737 VanDerWaalsContact OD1-C 3.24Å; D735-S737 WeakPolarHBondContact OD1-CA 3.42Å; D735-S737 PolarHBondContact OD1-N 2.98Å; D735-S737 PolarHBondContact OD1-OG 2.88Å; D735-K738 WeakPolarHBondContact O-CE 3.43Å; D735-K738 WeakPolarHBondContact O-CG 3.3Å; D735-S745 PolarHBondContact OD2-OG 2.92Å | ||
| 736 | Q | 61.5 | Low | 78.2 | Confident | 192 Ų | 192 | 58.1 Ų | 58.1 | 90% | 0.897 | 31% | 0.312 | S | S | * | . | trans | -72.7 | -32.9 | 171.6 | -60.2 | -173.4 | 8.3 | 0 | 0 | 111.2 | T734 K738 | T734-Q736 PolarHBondContact O-N 3.46Å; Q736-K738 PolarHBondContact O-N 2.81Å | ||
| 737 | S | 65.5 | Low | 77.8 | Confident | 78 Ų | 78 | 57.4 Ų | 57.4 | 55% | 0.545 | 31% | 0.313 | S | S | . | . | trans | -80.9 | 43.4 | -177.9 | 43.3 | 0 | 0 | 0 | 0 | 113.5 | D735 L739 S745 | D735-S737 VanDerWaalsContact OD1-C 3.24Å; D735-S737 WeakPolarHBondContact OD1-CA 3.42Å; D735-S737 PolarHBondContact OD1-N 2.98Å; D735-S737 PolarHBondContact OD1-OG 2.88Å; S737-L739 PolarHBondContact O-N 2.65Å; S737-S745 WeakPolarHBondContact O-CB 3.44Å | ||
| 738 | K | 70.4 | Confident | 77.6 | Confident | 24 Ų | 24 | 57.3 Ų | 57.3 | 10% | 0.104 | 31% | 0.312 | C | S | . | . | trans | -61.7 | -10.5 | -179.3 | -59.2 | -158.7 | 177.4 | -166.7 | 0 | 114.3 | L732 D735 Q736 S745 L748 Y772 Y783 D784 | L732-K738 WeakPolarHBondContact O-CE 3.45Å; L732-K738 PolarHBondContact O-NZ 2.57Å; D735-K738 WeakPolarHBondContact O-CE 3.43Å; D735-K738 WeakPolarHBondContact O-CG 3.3Å; Q736-K738 PolarHBondContact O-N 2.81Å; K738-S745 PolarHBondContact O-N 3.03Å; K738-L748 HydrophobicContact CB-CD2 4.04Å; K738-L748 HydrophobicContact CD-CD2 4.25Å; K738-L748 HydrophobicContact CG-CD2 4.37Å; K738-Y772 PolarHBondContact NZ-OH 3.4Å; K738-Y783 HydrophobicContact CB-CG 4.44Å; K738-D784 IonicContact NZ-OD1 3.61Å; K738-D784 PolarHBondContact NZ-OD1 3.15Å; K738-D784 IonicContact NZ-OD2 2.65Å; K738-D784 PolarHBondContact NZ-OD2 3.12Å | ||
| 739 | L | 66.1 | Low | 77.4 | Confident | 63 Ų | 63 | 61.1 Ų | 61.1 | 33% | 0.33 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 130.2 | 177.4 | -167.1 | 86 | 0 | 0 | 0 | 111.2 | S737 Q743 Y783 L874 | S737-L739 PolarHBondContact O-N 2.65Å; L739-Q743 CarbonylContact C-O 3.55Å; L739-Q743 VanDerWaalsContact CA-O 3.28Å; L739-Q743 WeakPolarHBondContact CA-O 3.4Å; L739-Q743 VanDerWaalsContact CD1-O 3.27Å; L739-Q743 WeakPolarHBondContact CD1-O 3.21Å; L739-Y783 HydrophobicContact CD1-CE1 4.36Å; L739-L874 HydrophobicContact CD1-CD1 3.56Å; L739-L874 HydrophobicContact CD1-CD2 3.92Å; L739-L874 HydrophobicContact CD1-CG 4.42Å; L739-L874 HydrophobicContact CD2-CD2 3.64Å; L739-L874 HydrophobicContact CG-CD2 4.47Å |
| 740 | E | 59 | Low | 77.3 | Confident | 87 Ų | 87 | 60 Ų | 60 | 41% | 0.407 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 120.8 | 168.8 | -64.6 | 175.9 | 122.5 | 0 | 0 | 108.1 | L742 Q743 S745 Q746 | E740-L742 PolarHBondContact O-N 3.27Å; E740-L742 VanDerWaalsContact O-N 3.15Å; E740-Q743 PolarHBondContact N-O 3.24Å; E740-Q743 WeakPolarHBondContact O-CA 3.38Å; E740-Q743 WeakPolarHBondContact O-CB 3.44Å; E740-Q743 PolarHBondContact O-N 3.3Å; E740-S745 WeakPolarHBondContact OE2-CA 3.38Å; E740-Q746 PolarHBondContact OE2-N 2.67Å |
| 741 | D | 58.6 | Low | 77.3 | Confident | 160 Ų | 160 | 58.4 Ų | 58.4 | 86% | 0.856 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 42.2 | 52.8 | 173.5 | -66 | -12.9 | 0 | 0 | 0 | 115.8 | Q743 | D741-Q743 VanDerWaalsContact C-N 3.26Å; D741-Q743 PolarHBondContact O-N 3.24Å |
| 742 | L | 67.6 | Low | 77.4 | Confident | 59 Ų | 59 | 57.6 Ų | 57.6 | 31% | 0.309 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 18.2 | -177.6 | -47.2 | 170.6 | 0 | 0 | 0 | 114.9 | E740 H871 K873 L874 R877 | E740-L742 PolarHBondContact O-N 3.27Å; E740-L742 VanDerWaalsContact O-N 3.15Å; L742-H871 HydrophobicContact CD2-CB 3.86Å; L742-K873 HydrophobicContact CD1-CD 4.42Å; L742-L874 HydrophobicContact CD2-CB 4.12Å; L742-R877 PolarHBondContact O-NH1 3.46Å |
| 743 | Q | 70.4 | Confident | 77.7 | Confident | 99 Ų | 99 | 60.1 Ų | 60.1 | 46% | 0.463 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 153.4 | 175.1 | -43.9 | -138.4 | 45.2 | 0 | 0 | 110.6 | L739 E740 D741 S745 | L739-Q743 CarbonylContact C-O 3.55Å; L739-Q743 VanDerWaalsContact CA-O 3.28Å; L739-Q743 WeakPolarHBondContact CA-O 3.4Å; L739-Q743 VanDerWaalsContact CD1-O 3.27Å; L739-Q743 WeakPolarHBondContact CD1-O 3.21Å; E740-Q743 PolarHBondContact N-O 3.24Å; E740-Q743 WeakPolarHBondContact O-CA 3.38Å; E740-Q743 WeakPolarHBondContact O-CB 3.44Å; E740-Q743 PolarHBondContact O-N 3.3Å; D741-Q743 VanDerWaalsContact C-N 3.26Å; D741-Q743 PolarHBondContact O-N 3.24Å; Q743-S745 PolarHBondContact O-N 3.27Å |
| 744 | L | 75.1 | Confident | 78.1 | Confident | 10 Ų | 10 | 56.9 Ų | 56.9 | 5% | 0.052 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 136.8 | 166.5 | -63.7 | 171.8 | 0 | 0 | 0 | 109.1 | L748 Q749 Y783 A786 | L744-L748 HydrophobicContact CD2-CD2 4.17Å; L744-Q749 HydrophobicContact CB-CG 4.02Å; L744-Q749 PolarHBondContact O-NE2 2.98Å; L744-Y783 HydrophobicContact CD2-CD1 3.93Å; L744-A786 HydrophobicContact CD1-CB 3.95Å |
| 745 | S | 80.9 | Confident | 78.7 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 4% | 0.035 | 27% | 0.268 | C | S | . | . | trans | -52.6 | 142.7 | -179.7 | 114.6 | 0 | 0 | 0 | 0 | 111.6 | D735 S737 K738 E740 Q743 G747 L748 Q749 | D735-S745 PolarHBondContact OD2-OG 2.92Å; S737-S745 WeakPolarHBondContact O-CB 3.44Å; K738-S745 PolarHBondContact O-N 3.03Å; E740-S745 WeakPolarHBondContact OE2-CA 3.38Å; Q743-S745 PolarHBondContact O-N 3.27Å; S745-G747 PolarHBondContact O-N 3.45Å; S745-G747 PolarHBondContact OG-N 3.47Å; S745-L748 PolarHBondContact O-N 3.15Å; S745-L748 VanDerWaalsContact O-N 3.14Å; S745-L748 PolarHBondContact OG-N 2.98Å; S745-Q749 WeakPolarHBondContact O-CG 3.27Å; S745-Q749 PolarHBondContact O-N 3.05Å | ||
| 746 | Q | 84 | Confident | 79.9 | Confident | 135 Ų | 135 | 51 Ų | 51 | 63% | 0.631 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -59 | -33.8 | 176.6 | -71.1 | 178.1 | 77.7 | 0 | 0 | 111.5 | E740 Q749 A750 | E740-Q746 PolarHBondContact OE2-N 2.67Å; Q746-Q749 PolarHBondContact O-N 3.12Å; Q746-A750 VanDerWaalsContact O-CB 3.23Å; Q746-A750 WeakPolarHBondContact O-CB 3.45Å; Q746-A750 PolarHBondContact O-N 3.42Å |
| 747 | G | 86.6 | Confident | 81.4 | Confident | 13 Ų | 13 | 42.4 Ų | 42.4 | 13% | 0.134 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.6 | -44.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | S745 A750 L751 | S745-G747 PolarHBondContact O-N 3.45Å; S745-G747 PolarHBondContact OG-N 3.47Å; G747-A750 PolarHBondContact O-N 3.48Å; G747-L751 VanDerWaalsContact O-CB 3.27Å; G747-L751 WeakPolarHBondContact O-CB 3.31Å; G747-L751 PolarHBondContact O-N 2.84Å |
| 748 | L | 88.6 | Confident | 82.7 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.7 | -38.5 | 176.6 | 179.3 | 59.5 | 0 | 0 | 0 | 112 | L732 K738 L744 S745 S752 | L732-L748 HydrophobicContact CD2-CD1 3.64Å; K738-L748 HydrophobicContact CB-CD2 4.04Å; K738-L748 HydrophobicContact CD-CD2 4.25Å; K738-L748 HydrophobicContact CG-CD2 4.37Å; L744-L748 HydrophobicContact CD2-CD2 4.17Å; S745-L748 PolarHBondContact O-N 3.15Å; S745-L748 VanDerWaalsContact O-N 3.14Å; S745-L748 PolarHBondContact OG-N 2.98Å; L748-S752 WeakPolarHBondContact O-CB 3.42Å; L748-S752 PolarHBondContact O-N 3.48Å; L748-S752 PolarHBondContact O-OG 3.21Å |
| 749 | Q | 89.8 | Confident | 83.8 | Confident | 82 Ų | 82 | 37.5 Ų | 37.5 | 38% | 0.383 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.2 | -44.1 | 173.9 | -67.5 | -174.2 | 59.5 | 0 | 0 | 111.7 | L744 S745 Q746 S752 L753 | L744-Q749 HydrophobicContact CB-CG 4.02Å; L744-Q749 PolarHBondContact O-NE2 2.98Å; S745-Q749 WeakPolarHBondContact O-CG 3.27Å; S745-Q749 PolarHBondContact O-N 3.05Å; Q746-Q749 PolarHBondContact O-N 3.12Å; Q749-S752 PolarHBondContact O-N 2.87Å; Q749-L753 WeakPolarHBondContact O-CB 3.44Å; Q749-L753 PolarHBondContact O-N 3.3Å |
| 750 | A | 92.1 | Very high | 84.9 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 2% | 0.017 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.1 | -45.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T703 I706 Q746 G747 L753 F754 | T703-A750 HydrophobicContact CG2-CB 3.81Å; I706-A750 HydrophobicContact CD1-CB 4.25Å; Q746-A750 VanDerWaalsContact O-CB 3.23Å; Q746-A750 WeakPolarHBondContact O-CB 3.45Å; Q746-A750 PolarHBondContact O-N 3.42Å; G747-A750 PolarHBondContact O-N 3.48Å; A750-L753 PolarHBondContact O-N 2.82Å; A750-F754 WeakPolarHBondContact O-CB 3.38Å; A750-F754 PolarHBondContact O-N 2.92Å |
| 751 | L | 92.5 | Very high | 86.4 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.4 | -37.4 | 179.5 | -175.3 | 50.6 | 0 | 0 | 0 | 111.8 | L696 I728 A731 L732 G747 F754 T755 | L696-L751 HydrophobicContact CD2-CD1 3.79Å; I728-L751 HydrophobicContact CG1-CD1 4.41Å; I728-L751 HydrophobicContact CG2-CD1 4.35Å; A731-L751 HydrophobicContact CB-CD2 3.93Å; L732-L751 HydrophobicContact CD2-CD2 3.7Å; L732-L751 HydrophobicContact CD2-CG 4.14Å; L732-L751 HydrophobicContact CG-CD2 3.82Å; L732-L751 HydrophobicContact CG-CG 4.42Å; G747-L751 VanDerWaalsContact O-CB 3.27Å; G747-L751 WeakPolarHBondContact O-CB 3.31Å; G747-L751 PolarHBondContact O-N 2.84Å; L751-F754 HydrophobicContact CD1-CD1 4.26Å; L751-T755 VanDerWaalsContact O-CB 3.25Å; L751-T755 WeakPolarHBondContact O-CB 3.39Å; L751-T755 PolarHBondContact O-N 3.09Å; L751-T755 PolarHBondContact O-OG1 3.15Å |
| 752 | S | 92.9 | Very high | 87.9 | Confident | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.3 | -49.9 | 171.6 | -59.1 | 0 | 0 | 0 | 0 | 111.2 | L748 Q749 T755 G756 E790 | L748-S752 WeakPolarHBondContact O-CB 3.42Å; L748-S752 PolarHBondContact O-N 3.48Å; L748-S752 PolarHBondContact O-OG 3.21Å; Q749-S752 PolarHBondContact O-N 2.87Å; S752-T755 PolarHBondContact O-N 3.23Å; S752-G756 PolarHBondContact O-N 3.04Å; S752-E790 VanDerWaalsContact O-CG 3.3Å; S752-E790 WeakPolarHBondContact O-CG 3.3Å |
| 753 | L | 94.2 | Very high | 88.7 | Confident | 55 Ų | 55 | 36.3 Ų | 36.3 | 29% | 0.288 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61 | -45.3 | 178.7 | 176.8 | 59.1 | 0 | 0 | 0 | 112.4 | I706 Q749 A750 L757 E790 | I706-L753 HydrophobicContact CD1-CB 4.4Å; I706-L753 HydrophobicContact CD1-CD2 3.96Å; I706-L753 HydrophobicContact CD1-CG 4.24Å; I706-L753 HydrophobicContact CG2-CG 4.47Å; Q749-L753 WeakPolarHBondContact O-CB 3.44Å; Q749-L753 PolarHBondContact O-N 3.3Å; A750-L753 PolarHBondContact O-N 2.82Å; L753-L757 HydrophobicContact CD1-CD1 3.77Å; L753-L757 HydrophobicContact CD1-CG 4.18Å; L753-L757 HydrophobicContact CG-CD1 4Å; L753-L757 WeakPolarHBondContact O-CB 3.34Å; L753-L757 WeakPolarHBondContact O-CD1 3.43Å; L753-L757 VanDerWaalsContact O-CG 3.29Å; L753-L757 WeakPolarHBondContact O-CG 3.48Å; L753-L757 PolarHBondContact O-N 3.26Å; L753-L757 VanDerWaalsContact O-N 3.08Å; L753-E790 WeakPolarHBondContact CD1-OE1 3.47Å |
| 754 | F | 95 | Very high | 89.2 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.9 | -48.2 | 173.8 | 173.1 | -99.3 | 0 | 0 | 0 | 111.5 | L696 V699 I706 V709 V710 L713 L724 I728 A750 L751 L757 L758 | L696-F754 HydrophobicContact CD2-CD1 3.92Å; L696-F754 HydrophobicContact CD2-CE1 3.55Å; L696-F754 HydrophobicContact CD2-CZ 4.32Å; V699-F754 HydrophobicContact CG1-CB 3.78Å; V699-F754 HydrophobicContact CG1-CD2 4.13Å; V699-F754 HydrophobicContact CG1-CG 3.92Å; V699-F754 HydrophobicContact CG2-CD2 4.13Å; V699-F754 HydrophobicContact CG2-CE2 4.38Å; I706-F754 HydrophobicContact CG2-CB 4.22Å; I706-F754 HydrophobicContact CG2-CD2 4.37Å; V709-F754 HydrophobicContact CG1-CE2 3.8Å; V710-F754 HydrophobicContact CG2-CD2 3.6Å; V710-F754 HydrophobicContact CG2-CE2 3.63Å; L713-F754 HydrophobicContact CD1-CE2 3.92Å; L713-F754 HydrophobicContact CD1-CZ 3.74Å; L724-F754 HydrophobicContact CD1-CE1 4.34Å; L724-F754 HydrophobicContact CD1-CZ 4.47Å; I728-F754 HydrophobicContact CD1-CD1 4.48Å; I728-F754 HydrophobicContact CD1-CE1 4.05Å; I728-F754 HydrophobicContact CG1-CE1 4.41Å; A750-F754 WeakPolarHBondContact O-CB 3.38Å; A750-F754 PolarHBondContact O-N 2.92Å; L751-F754 HydrophobicContact CD1-CD1 4.26Å; F754-L757 PolarHBondContact O-N 2.77Å; F754-L758 HydrophobicContact CE1-CD2 4.34Å; F754-L758 HydrophobicContact CZ-CD1 4.23Å; F754-L758 WeakPolarHBondContact O-CB 3.47Å; F754-L758 PolarHBondContact O-N 2.76Å |
| 755 | T | 94.5 | Very high | 89.6 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.4 | -47.4 | -177.6 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | I728 L751 S752 L757 L758 C759 L769 I787 I791 | I728-T755 HydrophobicContact CG2-CG2 4.34Å; L751-T755 VanDerWaalsContact O-CB 3.25Å; L751-T755 WeakPolarHBondContact O-CB 3.39Å; L751-T755 PolarHBondContact O-N 3.09Å; L751-T755 PolarHBondContact O-OG1 3.15Å; S752-T755 PolarHBondContact O-N 3.23Å; T755-L757 PolarHBondContact O-N 2.82Å; T755-L758 WeakPolarHBondContact O-CB 3.25Å; T755-L758 PolarHBondContact O-N 3.18Å; T755-C759 PolarHBondContact O-N 3.07Å; T755-C759 PolarHBondContact O-SG 2.88Å; T755-L769 HydrophobicContact CG2-CD1 4.47Å; T755-L769 HydrophobicContact CG2-CD2 3.52Å; T755-I787 HydrophobicContact CG2-CG2 4.16Å; T755-I791 HydrophobicContact CG2-CD1 4.48Å |
| 756 | G | 92.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.3 | -39.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S752 R760 R794 | S752-G756 PolarHBondContact O-N 3.04Å; G756-R760 WeakPolarHBondContact O-CB 3.25Å; G756-R760 PolarHBondContact O-N 2.8Å; G756-R760 VanDerWaalsContact O-N 3.1Å; G756-R794 VanDerWaalsContact O-CB 3.25Å; G756-R794 WeakPolarHBondContact O-CB 3.37Å |
| 757 | L | 93.4 | Very high | 90 | Very high | 11 Ų | 11 | 28.2 Ų | 28.2 | 6% | 0.058 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67.4 | -35.4 | 175.2 | -74.2 | 169.3 | 0 | 0 | 0 | 112.8 | I706 V710 L753 F754 T755 K761 | I706-L757 HydrophobicContact CG2-CD1 3.71Å; V710-L757 HydrophobicContact CG1-CB 4.35Å; V710-L757 HydrophobicContact CG2-CB 4.28Å; L753-L757 HydrophobicContact CD1-CD1 3.77Å; L753-L757 HydrophobicContact CD1-CG 4.18Å; L753-L757 HydrophobicContact CG-CD1 4Å; L753-L757 WeakPolarHBondContact O-CB 3.34Å; L753-L757 WeakPolarHBondContact O-CD1 3.43Å; L753-L757 VanDerWaalsContact O-CG 3.29Å; L753-L757 WeakPolarHBondContact O-CG 3.48Å; L753-L757 PolarHBondContact O-N 3.26Å; L753-L757 VanDerWaalsContact O-N 3.08Å; F754-L757 PolarHBondContact O-N 2.77Å; T755-L757 PolarHBondContact O-N 2.82Å; L757-K761 WeakPolarHBondContact O-CB 3.08Å; L757-K761 PolarHBondContact O-N 2.89Å |
| 758 | L | 93.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.8 | -51.3 | 174.9 | -165.6 | 79.9 | 0 | 0 | 0 | 110.8 | L713 L724 I728 F754 T755 R760 K761 Y762 F764 | L713-L758 HydrophobicContact CD1-CD1 3.93Å; L724-L758 HydrophobicContact CD2-CD1 3.94Å; L724-L758 HydrophobicContact CD2-CD2 3.6Å; L724-L758 HydrophobicContact CD2-CG 4.42Å; L724-L758 HydrophobicContact CG-CD2 4.01Å; I728-L758 HydrophobicContact CD1-CD2 3.85Å; F754-L758 HydrophobicContact CE1-CD2 4.34Å; F754-L758 HydrophobicContact CZ-CD1 4.23Å; F754-L758 WeakPolarHBondContact O-CB 3.47Å; F754-L758 PolarHBondContact O-N 2.76Å; T755-L758 WeakPolarHBondContact O-CB 3.25Å; T755-L758 PolarHBondContact O-N 3.18Å; L758-R760 VanDerWaalsContact C-N 3.3Å; L758-R760 PolarHBondContact O-N 3.23Å; L758-K761 PolarHBondContact O-N 3.47Å; L758-Y762 HydrophobicContact CD1-CD2 3.76Å; L758-Y762 HydrophobicContact CD1-CE2 4.12Å; L758-Y762 HydrophobicContact CG-CD2 4.34Å; L758-Y762 PolarHBondContact O-N 3.36Å; L758-F764 HydrophobicContact CB-CZ 4.43Å; L758-F764 HydrophobicContact CD2-CE1 3.96Å; L758-F764 HydrophobicContact CD2-CZ 3.74Å; L758-F764 HydrophobicContact CG-CE1 3.82Å; L758-F764 HydrophobicContact CG-CZ 3.98Å |
| 759 | C | 91.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.9 | -37.7 | 179.6 | -62.2 | 0 | 0 | 0 | 0 | 112.6 | T755 K761 F764 L766 M795 R837 | T755-C759 PolarHBondContact O-N 3.07Å; T755-C759 PolarHBondContact O-SG 2.88Å; C759-K761 VanDerWaalsContact C-N 3.28Å; C759-K761 PolarHBondContact O-N 3.48Å; C759-F764 HydrophobicContact CB-CZ 4.31Å; C759-F764 VanDerWaalsContact SG-CZ 3.59Å; C759-L766 HydrophobicContact CB-CD2 4.16Å; C759-M795 HydrophobicContact CB-CG 4.08Å; C759-M795 HydrophobicContact CB-SD 3.61Å; C759-R837 PolarHBondContact O-NH1 2.97Å |
| 760 | R | 90.7 | Very high | 90.5 | Very high | 109 Ų | 109 | 24 Ų | 24 | 41% | 0.411 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -64.2 | -29.6 | 174.1 | -175.7 | -178.5 | 77.7 | 148.3 | 0.4 | 113.1 | G756 L758 R794 N834 | G756-R760 WeakPolarHBondContact O-CB 3.25Å; G756-R760 PolarHBondContact O-N 2.8Å; G756-R760 VanDerWaalsContact O-N 3.1Å; L758-R760 VanDerWaalsContact C-N 3.3Å; L758-R760 PolarHBondContact O-N 3.23Å; R760-R794 HydrophobicContact CB-CB 4.15Å; R760-R794 WeakPolarHBondContact CD-O 3.42Å; R760-R794 WeakPolarHBondContact CG-O 3.31Å; R760-N834 PolarHBondContact O-ND2 3.05Å |
| 761 | K | 90.2 | Very high | 90.5 | Very high | 89 Ų | 89 | 25.8 Ų | 25.8 | 39% | 0.387 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -103.3 | -37.1 | -166.7 | -169.8 | 173.7 | -179 | -179.7 | 0 | 114.2 | V710 E711 L757 L758 C759 | V710-K761 HydrophobicContact CG1-CD 3.65Å; V710-K761 PolarHBondContact O-NZ 2.95Å; E711-K761 VanDerWaalsContact CA-NZ 3.31Å; E711-K761 VanDerWaalsContact CG-NZ 3.27Å; L757-K761 WeakPolarHBondContact O-CB 3.08Å; L757-K761 PolarHBondContact O-N 2.89Å; L758-K761 PolarHBondContact O-N 3.47Å; C759-K761 VanDerWaalsContact C-N 3.28Å; C759-K761 PolarHBondContact O-N 3.48Å |
| 762 | Y | 90.4 | Very high | 90.6 | Very high | 22 Ų | 22 | 26.9 Ų | 26.9 | 9% | 0.086 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -116.3 | 165.8 | -175 | -57.9 | -63.9 | 0 | 0 | 0 | 111.9 | V710 L713 K714 Y721 L758 R837 | V710-Y762 HydrophobicContact CG1-CE2 4.47Å; V710-Y762 WeakPolarHBondContact O-CE2 3.38Å; V710-Y762 PolarHBondContact O-OH 3.12Å; L713-Y762 HydrophobicContact CB-CE2 4.32Å; K714-Y762 WeakPolarHBondContact CA-OH 3.27Å; K714-Y762 HydrophobicContact CB-CE1 4.4Å; K714-Y762 PolarHBondContact N-OH 3.48Å; Y721-Y762 HydrophobicContact CD1-CG 4.45Å; Y721-Y762 HydrophobicContact CE1-CD1 4.1Å; Y721-Y762 AromaticContact CE1-CD2 3.82Å; Y721-Y762 HydrophobicContact CE1-CD2 3.82Å; Y721-Y762 HydrophobicContact CE1-CE2 4.36Å; Y721-Y762 AromaticContact CE1-CG 3.67Å; Y721-Y762 HydrophobicContact CE1-CG 3.67Å; Y721-Y762 AromaticContact CZ-CD1 3.82Å; Y721-Y762 AromaticContact CZ-CG 3.86Å; Y721-Y762 WeakPolarHBondContact OH-CD1 3.2Å; Y721-Y762 WeakPolarHBondContact OH-CE1 3.34Å; L758-Y762 HydrophobicContact CD1-CD2 3.76Å; L758-Y762 HydrophobicContact CD1-CE2 4.12Å; L758-Y762 HydrophobicContact CG-CD2 4.34Å; L758-Y762 PolarHBondContact O-N 3.36Å; Y762-R837 PolarHBondContact O-NH1 2.95Å; Y762-R837 VanDerWaalsContact O-NH1 3.09Å; Y762-R837 PolarHBondContact O-NH2 3.33Å; Y762-R837 VanDerWaalsContact O-NH2 3.14Å |
| 763 | Q | 84.1 | Confident | 90.6 | Very high | 124 Ų | 124 | 26.8 Ų | 26.8 | 58% | 0.579 | 12% | 0.123 | S | C | * | . | trans | -112.1 | 109.8 | -179.1 | -62.1 | -169.6 | -5.4 | 0 | 0 | 108.9 | ||||
| 764 | F | 81.1 | Confident | 90.6 | Very high | 27 Ų | 27 | 24.3 Ų | 24.3 | 12% | 0.118 | 11% | 0.11 | C | C | . | . | trans | -153 | 170.8 | 178 | 59.8 | -88.3 | 0 | 0 | 0 | 109 | T725 L758 C759 L766 | T725-F764 HydrophobicContact CG2-CD2 4.43Å; T725-F764 HydrophobicContact CG2-CE2 4.4Å; T725-F764 WeakPolarHBondContact OG1-CD2 3.46Å; T725-F764 WeakPolarHBondContact OG1-CE2 3.2Å; L758-F764 HydrophobicContact CB-CZ 4.43Å; L758-F764 HydrophobicContact CD2-CE1 3.96Å; L758-F764 HydrophobicContact CD2-CZ 3.74Å; L758-F764 HydrophobicContact CG-CE1 3.82Å; L758-F764 HydrophobicContact CG-CZ 3.98Å; C759-F764 HydrophobicContact CB-CZ 4.31Å; C759-F764 VanDerWaalsContact SG-CZ 3.59Å; F764-L766 HydrophobicContact CE2-CD2 4.27Å | ||
| 765 | D | 82.5 | Confident | 90.5 | Very high | 41 Ų | 41 | 27.5 Ų | 27.5 | 22% | 0.219 | 13% | 0.127 | C | C | . | . | trans | -67.6 | 125 | -176.9 | -170.5 | -14.2 | 0 | 0 | 0 | 111.4 | R632 A767 | R632-D765 IonicContact CZ-OD2 3.69Å; R632-D765 IonicContact NH1-OD2 3.63Å; R632-D765 PolarHBondContact NH1-OD2 2.91Å; R632-D765 IonicContact NH2-OD2 3.99Å; R632-D765 PolarHBondContact NH2-OD2 3.08Å; D765-A767 WeakPolarHBondContact OD1-CB 3.34Å; D765-A767 PolarHBondContact OD1-N 3.13Å | ||
| 766 | L | 87.7 | Confident | 90.4 | Very high | 8 Ų | 8 | 29 Ų | 29 | 4% | 0.042 | 13% | 0.134 | C | C | . | . | trans | -95.7 | -12.2 | 178.6 | -64.4 | 173.7 | 0 | 0 | 0 | 112.6 | C759 F764 L769 L770 M795 L838 A841 | C759-L766 HydrophobicContact CB-CD2 4.16Å; F764-L766 HydrophobicContact CE2-CD2 4.27Å; L766-L769 PolarHBondContact O-N 3.4Å; L766-L770 HydrophobicContact CB-CD1 4.08Å; L766-L770 WeakPolarHBondContact O-CG 3.3Å; L766-L770 PolarHBondContact O-N 3.18Å; L766-M795 HydrophobicContact CD1-CE 4.04Å; L766-M795 HydrophobicContact CD1-SD 4.13Å; L766-L838 HydrophobicContact CD1-CD1 4.21Å; L766-A841 HydrophobicContact CB-CB 4.21Å; L766-A841 HydrophobicContact CD1-CB 4.32Å | ||
| 767 | A | 87.3 | Confident | 90.2 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 3% | 0.025 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.9 | -52.6 | -166.7 | 0 | 0 | 0 | 0 | 0 | 112 | D765 L769 L770 Q771 H845 | D765-A767 WeakPolarHBondContact OD1-CB 3.34Å; D765-A767 PolarHBondContact OD1-N 3.13Å; A767-L769 VanDerWaalsContact C-N 3.26Å; A767-L769 PolarHBondContact O-N 3.22Å; A767-L770 PolarHBondContact O-N 3.06Å; A767-Q771 WeakPolarHBondContact O-CB 3.42Å; A767-Q771 PolarHBondContact O-N 2.93Å; A767-H845 VanDerWaalsContact CB-NE2 3.33Å; A767-H845 WeakPolarHBondContact CB-NE2 3.39Å |
| 768 | G | 88.5 | Confident | 90.1 | Very high | 5 Ų | 5 | 34.5 Ų | 34.5 | 5% | 0.052 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.4 | -34.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y772 | G768-Y772 WeakPolarHBondContact O-CB 3.43Å; G768-Y772 PolarHBondContact O-N 3.3Å |
| 769 | L | 92.4 | Very high | 89.9 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -74.5 | -43.6 | 179 | -178.6 | 64.2 | 0 | 0 | 0 | 112.1 | T725 I728 I729 L732 T755 L766 A767 Y772 V773 I787 I791 | T725-L769 HydrophobicContact CG2-CB 4.33Å; I728-L769 HydrophobicContact CG2-CD1 4.17Å; I729-L769 HydrophobicContact CG1-CD1 4.17Å; L732-L769 HydrophobicContact CD1-CD1 4.32Å; T755-L769 HydrophobicContact CG2-CD1 4.47Å; T755-L769 HydrophobicContact CG2-CD2 3.52Å; L766-L769 PolarHBondContact O-N 3.4Å; A767-L769 VanDerWaalsContact C-N 3.26Å; A767-L769 PolarHBondContact O-N 3.22Å; L769-Y772 PolarHBondContact O-N 2.96Å; L769-V773 PolarHBondContact O-N 2.82Å; L769-I787 HydrophobicContact CD1-CG2 4.41Å; L769-I791 HydrophobicContact CD2-CD1 3.77Å; L769-I791 HydrophobicContact CG-CD1 4.34Å |
| 770 | L | 93.8 | Very high | 89.5 | Confident | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66 | -42.6 | 174.3 | -67.6 | 170.6 | 0 | 0 | 0 | 110.8 | L766 A767 Y772 V773 L774 L788 L838 L842 L847 F851 | L766-L770 HydrophobicContact CB-CD1 4.08Å; L766-L770 WeakPolarHBondContact O-CG 3.3Å; L766-L770 PolarHBondContact O-N 3.18Å; A767-L770 PolarHBondContact O-N 3.06Å; L770-Y772 VanDerWaalsContact C-N 3.31Å; L770-Y772 PolarHBondContact O-N 3.45Å; L770-V773 PolarHBondContact O-N 3.29Å; L770-L774 WeakPolarHBondContact O-CB 3.38Å; L770-L774 PolarHBondContact O-N 2.84Å; L770-L788 HydrophobicContact CD2-CD1 4.06Å; L770-L838 HydrophobicContact CD1-CD1 4.25Å; L770-L842 HydrophobicContact CD1-CD2 3.97Å; L770-L842 HydrophobicContact CD1-CG 4.26Å; L770-L847 HydrophobicContact CB-CD1 3.68Å; L770-L847 HydrophobicContact CD1-CD1 4.26Å; L770-F851 HydrophobicContact CB-CE2 4.27Å; L770-F851 HydrophobicContact CB-CZ 4.33Å; L770-F851 HydrophobicContact CD2-CE2 4.4Å; L770-F851 HydrophobicContact CD2-CZ 4.4Å; L770-F851 WeakPolarHBondContact O-CZ 3.2Å |
| 771 | Q | 92.8 | Very high | 89.2 | Confident | 39 Ų | 39 | 40.2 Ų | 40.2 | 18% | 0.182 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.6 | -35 | 176.5 | -170.7 | 58.8 | 60.6 | 0 | 0 | 112.2 | A767 N775 | A767-Q771 WeakPolarHBondContact O-CB 3.42Å; A767-Q771 PolarHBondContact O-N 2.93Å; Q771-N775 PolarHBondContact NE2-OD1 3.29Å; Q771-N775 VanDerWaalsContact O-CB 3.31Å; Q771-N775 WeakPolarHBondContact O-CB 3.49Å; Q771-N775 PolarHBondContact O-N 2.82Å; Q771-N775 PolarHBondContact O-ND2 3.33Å |
| 772 | Y | 93.6 | Very high | 89.1 | Confident | 23 Ų | 23 | 36.2 Ų | 36.2 | 9% | 0.09 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.5 | -51.9 | 171.2 | 173.4 | -92 | 0 | 0 | 0 | 111.7 | I729 L732 A733 K738 G768 L769 L770 L774 N775 Q776 | I729-Y772 HydrophobicContact CG2-CD2 3.67Å; I729-Y772 HydrophobicContact CG2-CE2 4.21Å; I729-Y772 HydrophobicContact CG2-CG 4.13Å; L732-Y772 HydrophobicContact CB-CE1 3.81Å; L732-Y772 HydrophobicContact CD1-CD1 4.38Å; L732-Y772 HydrophobicContact CD1-CE1 4.08Å; L732-Y772 PolarHBondContact O-OH 3.47Å; A733-Y772 HydrophobicContact CB-CE2 4.41Å; A733-Y772 PolarHBondContact N-OH 3.23Å; K738-Y772 PolarHBondContact NZ-OH 3.4Å; G768-Y772 WeakPolarHBondContact O-CB 3.43Å; G768-Y772 PolarHBondContact O-N 3.3Å; L769-Y772 PolarHBondContact O-N 2.96Å; L770-Y772 VanDerWaalsContact C-N 3.31Å; L770-Y772 PolarHBondContact O-N 3.45Å; Y772-L774 VanDerWaalsContact C-N 3.32Å; Y772-L774 PolarHBondContact O-N 3.07Å; Y772-N775 PolarHBondContact O-N 3.49Å; Y772-N775 VanDerWaalsContact O-N 3.12Å; Y772-Q776 HydrophobicContact CD1-CG 4.27Å; Y772-Q776 HydrophobicContact CE1-CG 3.77Å; Y772-Q776 HydrophobicContact CE2-CG 4.24Å; Y772-Q776 VanDerWaalsContact CE2-NE2 3.29Å; Y772-Q776 VanDerWaalsContact CZ-NE2 3.35Å; Y772-Q776 PolarHBondContact O-N 2.9Å; Y772-Q776 PolarHBondContact OH-NE2 3.05Å |
| 773 | V | 93.3 | Very high | 88.9 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62 | -41.6 | 179.1 | -179.3 | 0 | 0 | 0 | 0 | 110.9 | L769 L770 N775 Q776 L777 I787 L788 F851 | L769-V773 PolarHBondContact O-N 2.82Å; L770-V773 PolarHBondContact O-N 3.29Å; V773-N775 VanDerWaalsContact C-N 3.3Å; V773-N775 PolarHBondContact O-N 2.96Å; V773-Q776 PolarHBondContact O-N 3.46Å; V773-L777 WeakPolarHBondContact O-CG 3.29Å; V773-L777 PolarHBondContact O-N 3.48Å; V773-I787 HydrophobicContact CG2-CB 4.23Å; V773-I787 HydrophobicContact CG2-CD1 3.99Å; V773-I787 HydrophobicContact CG2-CG2 4.49Å; V773-L788 HydrophobicContact CG1-CB 4.27Å; V773-F851 HydrophobicContact CB-CE1 4.46Å; V773-F851 HydrophobicContact CG1-CE1 4.24Å |
| 774 | L | 93.9 | Very high | 89.2 | Confident | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.9 | -38.5 | 175.3 | -167.6 | 73.2 | 0 | 0 | 0 | 112.1 | L770 Y772 L777 K778 L847 P850 F851 L854 | L770-L774 WeakPolarHBondContact O-CB 3.38Å; L770-L774 PolarHBondContact O-N 2.84Å; Y772-L774 VanDerWaalsContact C-N 3.32Å; Y772-L774 PolarHBondContact O-N 3.07Å; L774-L777 PolarHBondContact O-N 3.33Å; L774-K778 WeakPolarHBondContact O-CG 3.27Å; L774-K778 PolarHBondContact O-N 3.45Å; L774-L847 HydrophobicContact CD2-CD2 3.92Å; L774-P850 HydrophobicContact CD1-CB 3.82Å; L774-P850 HydrophobicContact CD2-CB 3.79Å; L774-P850 HydrophobicContact CG-CB 4.38Å; L774-F851 HydrophobicContact CB-CE1 4Å; L774-F851 HydrophobicContact CB-CZ 3.95Å; L774-F851 HydrophobicContact CD1-CB 4.38Å; L774-F851 HydrophobicContact CD1-CD1 3.59Å; L774-F851 HydrophobicContact CD1-CD2 4.16Å; L774-F851 HydrophobicContact CD1-CE1 3.81Å; L774-F851 HydrophobicContact CD1-CE2 4.37Å; L774-F851 HydrophobicContact CD1-CG 3.77Å; L774-F851 HydrophobicContact CD1-CZ 4.21Å; L774-L854 HydrophobicContact CD1-CD1 3.72Å; L774-L854 HydrophobicContact CG-CD1 4.13Å |
| 775 | N | 93.7 | Very high | 89.7 | Confident | 67 Ų | 67 | 30.2 Ų | 30.2 | 36% | 0.358 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -73.4 | -34.3 | 177.3 | -72.2 | -14.5 | 0 | 0 | 0 | 112.6 | Q771 Y772 V773 L777 K778 V779 | Q771-N775 PolarHBondContact NE2-OD1 3.29Å; Q771-N775 VanDerWaalsContact O-CB 3.31Å; Q771-N775 WeakPolarHBondContact O-CB 3.49Å; Q771-N775 PolarHBondContact O-N 2.82Å; Q771-N775 PolarHBondContact O-ND2 3.33Å; Y772-N775 PolarHBondContact O-N 3.49Å; Y772-N775 VanDerWaalsContact O-N 3.12Å; V773-N775 VanDerWaalsContact C-N 3.3Å; V773-N775 PolarHBondContact O-N 2.96Å; N775-L777 VanDerWaalsContact C-N 3.32Å; N775-K778 PolarHBondContact O-N 2.82Å; N775-K778 PolarHBondContact OD1-NZ 2.96Å; N775-V779 WeakPolarHBondContact O-CG2 3.41Å; N775-V779 PolarHBondContact O-N 3.13Å |
| 776 | Q | 90.7 | Very high | 90.1 | Very high | 32 Ų | 32 | 28.2 Ų | 28.2 | 15% | 0.15 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.3 | -38 | 170.9 | -64.8 | -59.6 | -23.7 | 0 | 0 | 111.6 | Y772 V773 V779 G780 K781 D784 | Y772-Q776 HydrophobicContact CD1-CG 4.27Å; Y772-Q776 HydrophobicContact CE1-CG 3.77Å; Y772-Q776 HydrophobicContact CE2-CG 4.24Å; Y772-Q776 VanDerWaalsContact CE2-NE2 3.29Å; Y772-Q776 VanDerWaalsContact CZ-NE2 3.35Å; Y772-Q776 PolarHBondContact O-N 2.9Å; Y772-Q776 PolarHBondContact OH-NE2 3.05Å; V773-Q776 PolarHBondContact O-N 3.46Å; Q776-V779 CarbonylContact O-C 3.49Å; Q776-V779 PolarHBondContact O-N 2.92Å; Q776-V779 VanDerWaalsContact O-N 3.13Å; Q776-G780 PolarHBondContact O-N 2.97Å; Q776-K781 HydrophobicContact CB-CB 4.41Å; Q776-K781 PolarHBondContact O-N 3.31Å; Q776-D784 HydrophobicContact CB-CB 4.23Å; Q776-D784 HydrophobicContact CG-CB 4.27Å |
| 777 | L | 90.1 | Very high | 90.3 | Very high | 5 Ų | 5 | 27.9 Ų | 27.9 | 3% | 0.026 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.1 | -42.7 | 172 | -73.1 | 172.9 | 0 | 0 | 0 | 112.6 | V773 L774 N775 V779 G780 L785 F851 L854 M855 Q858 | V773-L777 WeakPolarHBondContact O-CG 3.29Å; V773-L777 PolarHBondContact O-N 3.48Å; L774-L777 PolarHBondContact O-N 3.33Å; N775-L777 VanDerWaalsContact C-N 3.32Å; L777-V779 PolarHBondContact O-N 3.42Å; L777-G780 PolarHBondContact O-N 2.86Å; L777-L785 HydrophobicContact CD1-CD2 3.88Å; L777-L785 HydrophobicContact CD2-CD1 4.09Å; L777-L785 HydrophobicContact CD2-CD2 3.92Å; L777-L785 HydrophobicContact CD2-CG 3.9Å; L777-L785 HydrophobicContact CG-CD2 4.26Å; L777-F851 HydrophobicContact CD1-CD1 3.99Å; L777-F851 HydrophobicContact CD1-CE1 4.14Å; L777-L854 HydrophobicContact CB-CB 4.07Å; L777-L854 HydrophobicContact CB-CD1 4.25Å; L777-L854 HydrophobicContact CD1-CB 4.35Å; L777-M855 HydrophobicContact CD1-CG 4.11Å; L777-Q858 HydrophobicContact CD2-CG 4.3Å |
| 778 | K | 91.1 | Very high | 90.7 | Very high | 121 Ų | 121 | 27.8 Ų | 27.8 | 53% | 0.526 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -60.2 | -26.2 | 173.2 | -69.2 | 173.8 | -171.1 | 166.5 | 0 | 113.3 | L774 N775 G780 L854 | L774-K778 WeakPolarHBondContact O-CG 3.27Å; L774-K778 PolarHBondContact O-N 3.45Å; N775-K778 PolarHBondContact O-N 2.82Å; N775-K778 PolarHBondContact OD1-NZ 2.96Å; K778-G780 VanDerWaalsContact C-N 3.29Å; K778-L854 HydrophobicContact CG-CD1 3.52Å; K778-L854 HydrophobicContact CG-CD2 4.28Å |
| 779 | V | 88.4 | Confident | 90.9 | Very high | 98 Ų | 98 | 31.2 Ų | 31.2 | 59% | 0.594 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | 2.7 | 176 | 175.8 | 0 | 0 | 0 | 0 | 111.8 | N775 Q776 L777 K781 | N775-V779 WeakPolarHBondContact O-CG2 3.41Å; N775-V779 PolarHBondContact O-N 3.13Å; Q776-V779 CarbonylContact O-C 3.49Å; Q776-V779 PolarHBondContact O-N 2.92Å; Q776-V779 VanDerWaalsContact O-N 3.13Å; L777-V779 PolarHBondContact O-N 3.42Å; V779-K781 VanDerWaalsContact C-N 3.33Å; V779-K781 HydrophobicContact CG1-CD 4.14Å; V779-K781 HydrophobicContact CG1-CG 4.3Å |
| 780 | G | 84.1 | Confident | 91 | Very high | 27 Ų | 27 | 32.1 Ų | 32.1 | 28% | 0.278 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77 | 14.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q776 L777 K778 Q858 | Q776-G780 PolarHBondContact O-N 2.97Å; L777-G780 PolarHBondContact O-N 2.86Å; K778-G780 VanDerWaalsContact C-N 3.29Å; G780-Q858 PolarHBondContact O-NE2 2.84Å |
| 781 | K | 84.1 | Confident | 90.9 | Very high | 104 Ų | 104 | 32 Ų | 32 | 45% | 0.452 | 16% | 0.157 | S | C | . | . | trans | -99.7 | 102.2 | -179.2 | -68.7 | 178.7 | 178.7 | -178.9 | 0 | 110.8 | Q776 V779 | Q776-K781 HydrophobicContact CB-CB 4.41Å; Q776-K781 PolarHBondContact O-N 3.31Å; V779-K781 VanDerWaalsContact C-N 3.33Å; V779-K781 HydrophobicContact CG1-CD 4.14Å; V779-K781 HydrophobicContact CG1-CG 4.3Å | ||
| 782 | S | 87 | Confident | 90.9 | Very high | 5 Ų | 5 | 30.2 Ų | 30.2 | 4% | 0.035 | 15% | 0.149 | C | C | . | . | trans | -84.3 | -9.2 | -179.2 | 46.7 | 0 | 0 | 0 | 0 | 115.4 | D784 L785 Q858 | S782-D784 VanDerWaalsContact C-N 3.29Å; S782-D784 PolarHBondContact O-N 2.68Å; S782-L785 VanDerWaalsContact O-CB 3.27Å; S782-L785 WeakPolarHBondContact O-CB 3.48Å; S782-L785 WeakPolarHBondContact O-CG 3.39Å; S782-L785 PolarHBondContact O-N 3.32Å; S782-L785 VanDerWaalsContact O-N 3.14Å; S782-Q858 PolarHBondContact OG-NE2 3.38Å | ||
| 783 | Y | 87.4 | Confident | 90.8 | Very high | 46 Ų | 46 | 30.4 Ų | 30.4 | 18% | 0.18 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -43.2 | -178.1 | -54.5 | -65.5 | 0 | 0 | 0 | 112.8 | K738 L739 L744 L785 A786 L878 | K738-Y783 HydrophobicContact CB-CG 4.44Å; L739-Y783 HydrophobicContact CD1-CE1 4.36Å; L744-Y783 HydrophobicContact CD2-CD1 3.93Å; Y783-L785 PolarHBondContact O-N 2.99Å; Y783-L785 VanDerWaalsContact O-N 3.17Å; Y783-A786 WeakPolarHBondContact O-CB 3.43Å; Y783-A786 PolarHBondContact O-N 3.49Å; Y783-L878 HydrophobicContact CD1-CD2 3.86Å; Y783-L878 HydrophobicContact CE1-CD1 3.97Å; Y783-L878 HydrophobicContact CE1-CD2 3.89Å |
| 784 | D | 89.4 | Confident | 90.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -7.3 | -176.6 | -66.3 | -67.2 | 0 | 0 | 0 | 113.9 | K738 Q776 S782 A786 I787 | K738-D784 IonicContact NZ-OD1 3.61Å; K738-D784 PolarHBondContact NZ-OD1 3.15Å; K738-D784 IonicContact NZ-OD2 2.65Å; K738-D784 PolarHBondContact NZ-OD2 3.12Å; Q776-D784 HydrophobicContact CB-CB 4.23Å; Q776-D784 HydrophobicContact CG-CB 4.27Å; S782-D784 VanDerWaalsContact C-N 3.29Å; S782-D784 PolarHBondContact O-N 2.68Å; D784-A786 PolarHBondContact O-N 3.49Å; D784-A786 VanDerWaalsContact O-N 3.14Å; D784-I787 HydrophobicContact CB-CD1 3.99Å; D784-I787 WeakPolarHBondContact O-CB 3.44Å; D784-I787 WeakPolarHBondContact O-CD1 3.46Å; D784-I787 WeakPolarHBondContact O-CG1 3.47Å; D784-I787 PolarHBondContact O-N 2.66Å; D784-I787 VanDerWaalsContact O-N 3.07Å |
| 785 | L | 91.5 | Very high | 90.5 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.9 | -23.2 | 166.4 | -74.1 | 175.4 | 0 | 0 | 0 | 112.9 | L777 S782 Y783 I787 L788 R789 M855 C882 T885 | L777-L785 HydrophobicContact CD1-CD2 3.88Å; L777-L785 HydrophobicContact CD2-CD1 4.09Å; L777-L785 HydrophobicContact CD2-CD2 3.92Å; L777-L785 HydrophobicContact CD2-CG 3.9Å; L777-L785 HydrophobicContact CG-CD2 4.26Å; S782-L785 VanDerWaalsContact O-CB 3.27Å; S782-L785 WeakPolarHBondContact O-CB 3.48Å; S782-L785 WeakPolarHBondContact O-CG 3.39Å; S782-L785 PolarHBondContact O-N 3.32Å; S782-L785 VanDerWaalsContact O-N 3.14Å; Y783-L785 PolarHBondContact O-N 2.99Å; Y783-L785 VanDerWaalsContact O-N 3.17Å; L785-I787 PolarHBondContact O-N 3.36Å; L785-L788 HydrophobicContact CD2-CD2 4.23Å; L785-L788 PolarHBondContact O-N 2.94Å; L785-R789 WeakPolarHBondContact O-CB 3.44Å; L785-R789 PolarHBondContact O-N 3.45Å; L785-M855 HydrophobicContact CD2-CG 3.98Å; L785-M855 HydrophobicContact CD2-SD 3.85Å; L785-C882 HydrophobicContact CD1-CB 4.21Å; L785-T885 HydrophobicContact CD2-CG2 4.33Å |
| 786 | A | 91.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -54.8 | -31.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L744 Y783 D784 E790 | L744-A786 HydrophobicContact CD1-CB 3.95Å; Y783-A786 WeakPolarHBondContact O-CB 3.43Å; Y783-A786 PolarHBondContact O-N 3.49Å; D784-A786 PolarHBondContact O-N 3.49Å; D784-A786 VanDerWaalsContact O-N 3.14Å; A786-E790 WeakPolarHBondContact O-CB 3.23Å; A786-E790 PolarHBondContact O-N 3.33Å |
| 787 | I | 92.8 | Very high | 89.8 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -72.1 | -52.5 | 177.5 | -51.9 | 155.6 | 0 | 0 | 0 | 110 | L732 T755 L769 V773 D784 L785 R789 E790 I791 | L732-I787 HydrophobicContact CD1-CD1 3.44Å; L732-I787 VanDerWaalsContact CD1-CD1 3.44Å; L732-I787 HydrophobicContact CD1-CG1 4.36Å; L732-I787 HydrophobicContact CD2-CD1 3.72Å; L732-I787 HydrophobicContact CD2-CG1 4.29Å; L732-I787 HydrophobicContact CG-CD1 4.19Å; T755-I787 HydrophobicContact CG2-CG2 4.16Å; L769-I787 HydrophobicContact CD1-CG2 4.41Å; V773-I787 HydrophobicContact CG2-CB 4.23Å; V773-I787 HydrophobicContact CG2-CD1 3.99Å; V773-I787 HydrophobicContact CG2-CG2 4.49Å; D784-I787 HydrophobicContact CB-CD1 3.99Å; D784-I787 WeakPolarHBondContact O-CB 3.44Å; D784-I787 WeakPolarHBondContact O-CD1 3.46Å; D784-I787 WeakPolarHBondContact O-CG1 3.47Å; D784-I787 PolarHBondContact O-N 2.66Å; D784-I787 VanDerWaalsContact O-N 3.07Å; L785-I787 PolarHBondContact O-N 3.36Å; I787-R789 VanDerWaalsContact C-N 3.32Å; I787-R789 PolarHBondContact O-N 2.95Å; I787-E790 PolarHBondContact O-N 3.34Å; I787-E790 VanDerWaalsContact O-N 3.15Å; I787-I791 HydrophobicContact CG2-CD1 3.81Å; I787-I791 HydrophobicContact CG2-CG1 4.38Å; I787-I791 WeakPolarHBondContact O-CG1 3.42Å; I787-I791 PolarHBondContact O-N 3.09Å |
| 788 | L | 94.2 | Very high | 89.6 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.8 | -44.4 | -180 | 177.1 | 61.4 | 0 | 0 | 0 | 111.3 | L770 V773 L785 E790 I791 L792 F851 M855 T885 | L770-L788 HydrophobicContact CD2-CD1 4.06Å; V773-L788 HydrophobicContact CG1-CB 4.27Å; L785-L788 HydrophobicContact CD2-CD2 4.23Å; L785-L788 PolarHBondContact O-N 2.94Å; L788-E790 VanDerWaalsContact C-N 3.3Å; L788-E790 PolarHBondContact O-N 3.41Å; L788-I791 PolarHBondContact O-N 2.97Å; L788-L792 HydrophobicContact CD1-CD1 4.17Å; L788-L792 HydrophobicContact CD1-CG 4.25Å; L788-L792 HydrophobicContact CG-CD1 3.99Å; L788-L792 WeakPolarHBondContact O-CB 3.28Å; L788-L792 VanDerWaalsContact O-CG 3.3Å; L788-L792 WeakPolarHBondContact O-CG 3.46Å; L788-L792 PolarHBondContact O-N 2.69Å; L788-F851 HydrophobicContact CD2-CD1 3.9Å; L788-F851 HydrophobicContact CD2-CE1 3.82Å; L788-F851 HydrophobicContact CD2-CZ 4.41Å; L788-M855 HydrophobicContact CD2-SD 4.13Å; L788-T885 HydrophobicContact CD2-CG2 4.3Å; L788-T885 HydrophobicContact CG-CG2 4.34Å |
| 789 | R | 94 | Very high | 89.1 | Confident | 77 Ų | 77 | 26.5 Ų | 26.5 | 29% | 0.291 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -55.1 | -44.3 | 175.3 | -175.3 | -169.3 | 68.8 | 176.9 | 1 | 112.7 | L785 I787 H793 I800 T885 Q888 | L785-R789 WeakPolarHBondContact O-CB 3.44Å; L785-R789 PolarHBondContact O-N 3.45Å; I787-R789 VanDerWaalsContact C-N 3.32Å; I787-R789 PolarHBondContact O-N 2.95Å; R789-H793 VanDerWaalsContact O-CB 3.32Å; R789-H793 WeakPolarHBondContact O-CB 3.36Å; R789-H793 PolarHBondContact O-N 2.91Å; R789-I800 HydrophobicContact CG-CD1 3.65Å; R789-T885 HydrophobicContact CB-CG2 4.05Å; R789-Q888 PolarHBondContact O-NE2 3.44Å; R789-Q888 PolarHBondContact O-OE1 3.49Å |
| 790 | E | 93.1 | Very high | 88.9 | Confident | 20 Ų | 20 | 24.2 Ų | 24.2 | 9% | 0.093 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -78.7 | -33.5 | -177.3 | -171.1 | 61.6 | -155.3 | 0 | 0 | 112 | S752 L753 A786 I787 L788 R794 | S752-E790 VanDerWaalsContact O-CG 3.3Å; S752-E790 WeakPolarHBondContact O-CG 3.3Å; L753-E790 WeakPolarHBondContact CD1-OE1 3.47Å; A786-E790 WeakPolarHBondContact O-CB 3.23Å; A786-E790 PolarHBondContact O-N 3.33Å; I787-E790 PolarHBondContact O-N 3.34Å; I787-E790 VanDerWaalsContact O-N 3.15Å; L788-E790 VanDerWaalsContact C-N 3.3Å; L788-E790 PolarHBondContact O-N 3.41Å; E790-R794 HydrophobicContact CG-CG 4.38Å; E790-R794 VanDerWaalsContact O-CB 3.31Å; E790-R794 WeakPolarHBondContact O-CB 3.38Å; E790-R794 WeakPolarHBondContact O-CG 3.22Å; E790-R794 PolarHBondContact O-N 2.93Å; E790-R794 WeakPolarHBondContact OE1-CG 3.38Å; E790-R794 IonicContact OE1-CZ 3.16Å; E790-R794 IonicContact OE1-NE 2.66Å; E790-R794 PolarHBondContact OE1-NE 3.39Å; E790-R794 IonicContact OE1-NH2 2.78Å; E790-R794 PolarHBondContact OE1-NH2 3.39Å; E790-R794 IonicContact OE2-NH2 2.73Å |
| 791 | I | 93.7 | Very high | 88.3 | Confident | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.8 | -51.6 | 168.3 | -71.2 | 170.9 | 0 | 0 | 0 | 109.9 | T755 L769 I787 L788 H793 R794 M795 L838 | T755-I791 HydrophobicContact CG2-CD1 4.48Å; L769-I791 HydrophobicContact CD2-CD1 3.77Å; L769-I791 HydrophobicContact CG-CD1 4.34Å; I787-I791 HydrophobicContact CG2-CD1 3.81Å; I787-I791 HydrophobicContact CG2-CG1 4.38Å; I787-I791 WeakPolarHBondContact O-CG1 3.42Å; I787-I791 PolarHBondContact O-N 3.09Å; L788-I791 PolarHBondContact O-N 2.97Å; I791-H793 PolarHBondContact O-N 2.79Å; I791-R794 PolarHBondContact O-N 3.22Å; I791-M795 HydrophobicContact CG2-CG 4.26Å; I791-M795 HydrophobicContact CG2-SD 3.81Å; I791-M795 VanDerWaalsContact O-CB 3.24Å; I791-M795 WeakPolarHBondContact O-CB 3.39Å; I791-M795 WeakPolarHBondContact O-CG 3.3Å; I791-M795 PolarHBondContact O-N 3.21Å; I791-L838 HydrophobicContact CG2-CD1 3.95Å; I791-L838 HydrophobicContact CG2-CD2 3.99Å |
| 792 | L | 92.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -55.7 | -51.7 | 176.8 | -74.2 | 165.3 | 0 | 0 | 0 | 110.6 | L788 R794 S796 L838 Q888 F889 F892 | L788-L792 HydrophobicContact CD1-CD1 4.17Å; L788-L792 HydrophobicContact CD1-CG 4.25Å; L788-L792 HydrophobicContact CG-CD1 3.99Å; L788-L792 WeakPolarHBondContact O-CB 3.28Å; L788-L792 VanDerWaalsContact O-CG 3.3Å; L788-L792 WeakPolarHBondContact O-CG 3.46Å; L788-L792 PolarHBondContact O-N 2.69Å; L792-R794 PolarHBondContact O-N 2.79Å; L792-S796 VanDerWaalsContact O-CB 3.31Å; L792-S796 WeakPolarHBondContact O-CB 3.38Å; L792-S796 PolarHBondContact O-N 2.8Å; L792-S796 PolarHBondContact O-OG 3.13Å; L792-L838 HydrophobicContact CD2-CD2 3.91Å; L792-Q888 HydrophobicContact CB-CG 4.2Å; L792-Q888 HydrophobicContact CD1-CG 4.28Å; L792-F889 HydrophobicContact CD1-CB 4.12Å; L792-F889 HydrophobicContact CD1-CD2 4.01Å; L792-F889 HydrophobicContact CD2-CD2 3.99Å; L792-F892 HydrophobicContact CD2-CB 3.84Å; L792-F892 HydrophobicContact CD2-CD1 3.83Å; L792-F892 HydrophobicContact CD2-CD2 4.13Å; L792-F892 HydrophobicContact CD2-CE1 4.48Å; L792-F892 HydrophobicContact CD2-CG 3.64Å |
| 793 | H | 91.5 | Very high | 87.3 | Confident | 27 Ų | 27 | 27.1 Ų | 27.1 | 13% | 0.125 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.6 | -45.5 | -179.7 | 175.8 | 67.8 | 0 | 0 | 0 | 112.9 | R789 I791 G797 I798 D799 | R789-H793 VanDerWaalsContact O-CB 3.32Å; R789-H793 WeakPolarHBondContact O-CB 3.36Å; R789-H793 PolarHBondContact O-N 2.91Å; I791-H793 PolarHBondContact O-N 2.79Å; H793-G797 VanDerWaalsContact O-CA 3.24Å; H793-G797 WeakPolarHBondContact O-CA 3.31Å; H793-G797 PolarHBondContact O-N 2.96Å; H793-I798 VanDerWaalsContact CA-O 3.3Å; H793-I798 WeakPolarHBondContact CA-O 3.41Å; H793-D799 IonicContact CE1-OD1 3.54Å; H793-D799 IonicContact CE1-OD2 2.65Å; H793-D799 PolarHBondContact CE1-OD2 3.31Å; H793-D799 VanDerWaalsContact CE1-OD2 3.26Å; H793-D799 WeakPolarHBondContact ND1-CB 3.26Å; H793-D799 IonicContact ND1-OD1 2.75Å; H793-D799 IonicContact ND1-OD2 3.27Å |
| 794 | R | 90.7 | Very high | 86.9 | Confident | 58 Ų | 58 | 25.9 Ų | 25.9 | 22% | 0.219 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -77.7 | -34.4 | -177.8 | -63.4 | -67.2 | 174.6 | -122.7 | -29.1 | 113.3 | G756 R760 E790 I791 L792 | G756-R794 VanDerWaalsContact O-CB 3.25Å; G756-R794 WeakPolarHBondContact O-CB 3.37Å; R760-R794 HydrophobicContact CB-CB 4.15Å; R760-R794 WeakPolarHBondContact CD-O 3.42Å; R760-R794 WeakPolarHBondContact CG-O 3.31Å; E790-R794 HydrophobicContact CG-CG 4.38Å; E790-R794 VanDerWaalsContact O-CB 3.31Å; E790-R794 WeakPolarHBondContact O-CB 3.38Å; E790-R794 WeakPolarHBondContact O-CG 3.22Å; E790-R794 PolarHBondContact O-N 2.93Å; E790-R794 WeakPolarHBondContact OE1-CG 3.38Å; E790-R794 IonicContact OE1-CZ 3.16Å; E790-R794 IonicContact OE1-NE 2.66Å; E790-R794 PolarHBondContact OE1-NE 3.39Å; E790-R794 IonicContact OE1-NH2 2.78Å; E790-R794 PolarHBondContact OE1-NH2 3.39Å; E790-R794 IonicContact OE2-NH2 2.73Å; I791-R794 PolarHBondContact O-N 3.22Å; L792-R794 PolarHBondContact O-N 2.79Å |
| 795 | M | 90.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -85.9 | -28.6 | -178.6 | -65.2 | -167 | 75.8 | 0 | 0 | 113.7 | C759 L766 I791 T831 N834 A835 R837 L838 | C759-M795 HydrophobicContact CB-CG 4.08Å; C759-M795 HydrophobicContact CB-SD 3.61Å; L766-M795 HydrophobicContact CD1-CE 4.04Å; L766-M795 HydrophobicContact CD1-SD 4.13Å; I791-M795 HydrophobicContact CG2-CG 4.26Å; I791-M795 HydrophobicContact CG2-SD 3.81Å; I791-M795 VanDerWaalsContact O-CB 3.24Å; I791-M795 WeakPolarHBondContact O-CB 3.39Å; I791-M795 WeakPolarHBondContact O-CG 3.3Å; I791-M795 PolarHBondContact O-N 3.21Å; M795-T831 WeakPolarHBondContact O-CB 3.45Å; M795-N834 HydrophobicContact CB-CB 4.24Å; M795-N834 HydrophobicContact CE-CB 4.09Å; M795-N834 WeakPolarHBondContact CE-O 3.48Å; M795-N834 CarbonylContact O-C 3.5Å; M795-N834 WeakPolarHBondContact O-CB 3.33Å; M795-A835 PolarHBondContact O-N 3.19Å; M795-A835 VanDerWaalsContact O-N 3.12Å; M795-R837 HydrophobicContact CE-CB 4.39Å; M795-L838 HydrophobicContact CB-CD2 4.17Å; M795-L838 HydrophobicContact CE-CB 4.19Å; M795-L838 HydrophobicContact SD-CB 4.19Å; M795-L838 HydrophobicContact SD-CD1 4.4Å; M795-L838 HydrophobicContact SD-CD2 4.42Å |
| 796 | S | 85.9 | Confident | 86.2 | Confident | 4 Ų | 4 | 35.9 Ų | 35.9 | 3% | 0.028 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -107.7 | -26.5 | 179.8 | 75.6 | 0 | 0 | 0 | 0 | 114.8 | L792 I798 T831 | L792-S796 VanDerWaalsContact O-CB 3.31Å; L792-S796 WeakPolarHBondContact O-CB 3.38Å; L792-S796 PolarHBondContact O-N 2.8Å; L792-S796 PolarHBondContact O-OG 3.13Å; S796-I798 VanDerWaalsContact C-N 3.34Å; S796-I798 WeakPolarHBondContact OG-CB 3.43Å; S796-I798 WeakPolarHBondContact OG-CG1 3.22Å; S796-I798 PolarHBondContact OG-N 3Å; S796-T831 VanDerWaalsContact C-OG1 3.31Å; S796-T831 WeakPolarHBondContact O-CB 3.27Å; S796-T831 PolarHBondContact O-OG1 2.96Å |
| 797 | G | 83.2 | Confident | 85.8 | Confident | 13 Ų | 13 | 41.2 Ų | 41.2 | 13% | 0.134 | 20% | 0.202 | C | C | . | . | trans | 84.6 | 2.6 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | H793 | H793-G797 VanDerWaalsContact O-CA 3.24Å; H793-G797 WeakPolarHBondContact O-CA 3.31Å; H793-G797 PolarHBondContact O-N 2.96Å | ||
| 798 | I | 84.8 | Confident | 85.3 | Confident | 5 Ų | 5 | 43.1 Ų | 43.1 | 3% | 0.026 | 21% | 0.211 | C | C | . | . | trans | -82.5 | 118 | 177.3 | -58 | 165.8 | 0 | 0 | 0 | 109.3 | H793 S796 Y825 I828 Q888 T891 F892 L895 | H793-I798 VanDerWaalsContact CA-O 3.3Å; H793-I798 WeakPolarHBondContact CA-O 3.41Å; S796-I798 VanDerWaalsContact C-N 3.34Å; S796-I798 WeakPolarHBondContact OG-CB 3.43Å; S796-I798 WeakPolarHBondContact OG-CG1 3.22Å; S796-I798 PolarHBondContact OG-N 3Å; I798-Y825 HydrophobicContact CB-CE1 4.45Å; I798-Y825 HydrophobicContact CG1-CE1 4.38Å; I798-Y825 HydrophobicContact CG2-CE1 4.2Å; I798-I828 HydrophobicContact CG1-CD1 3.97Å; I798-Q888 HydrophobicContact CG2-CG 3.97Å; I798-Q888 PolarHBondContact O-NE2 3.21Å; I798-T891 HydrophobicContact CD1-CG2 4.37Å; I798-T891 HydrophobicContact CG2-CG2 4.17Å; I798-F892 VanDerWaalsContact CD1-CA 3.5Å; I798-F892 HydrophobicContact CD1-CB 3.87Å; I798-F892 HydrophobicContact CD1-CD2 4.37Å; I798-L895 HydrophobicContact CD1-CD1 3.94Å; I798-L895 HydrophobicContact CG1-CD1 4.46Å | ||
| 799 | D | 82.2 | Confident | 84.9 | Confident | 69 Ų | 69 | 44 Ų | 44 | 37% | 0.369 | 22% | 0.216 | S | C | . | . | trans | -105.8 | 157.1 | 179.3 | -155 | -4.9 | 0 | 0 | 0 | 111.7 | H793 Y824 | H793-D799 IonicContact CE1-OD1 3.54Å; H793-D799 IonicContact CE1-OD2 2.65Å; H793-D799 PolarHBondContact CE1-OD2 3.31Å; H793-D799 VanDerWaalsContact CE1-OD2 3.26Å; H793-D799 WeakPolarHBondContact ND1-CB 3.26Å; H793-D799 IonicContact ND1-OD1 2.75Å; H793-D799 IonicContact ND1-OD2 3.27Å; D799-Y824 HydrophobicContact CB-CD1 4.43Å | ||
| 800 | I | 82.5 | Confident | 84.4 | Confident | 50 Ų | 50 | 42.9 Ų | 42.9 | 26% | 0.256 | 21% | 0.214 | S | C | . | . | trans | -94.8 | 101.6 | 175.9 | -61.6 | 166.1 | 0 | 0 | 0 | 108.2 | R789 G884 Q888 | R789-I800 HydrophobicContact CG-CD1 3.65Å; I800-G884 WeakPolarHBondContact CD1-O 3.21Å; I800-Q888 HydrophobicContact CD1-CB 4.13Å; I800-Q888 HydrophobicContact CG1-CB 3.87Å; I800-Q888 HydrophobicContact CG1-CG 4.1Å | ||
| 801 | S | 73.1 | Confident | 84 | Confident | 28 Ų | 28 | 42.3 Ų | 42.3 | 20% | 0.196 | 21% | 0.212 | C | C | . | . | trans | -113.6 | 103.6 | 179.9 | -161.3 | 0 | 0 | 0 | 0 | 111.1 | M804 | S801-M804 VanDerWaalsContact O-CG 3.25Å; S801-M804 WeakPolarHBondContact O-CG 3.4Å | ||
| 802 | E | 74.5 | Confident | 83.4 | Confident | 30 Ų | 30 | 44.6 Ų | 44.6 | 14% | 0.14 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -80 | -38.7 | 169.6 | -61.2 | -63.5 | 146.5 | 0 | 0 | 111 | M804 N1149 H1152 R1153 R1156 | E802-M804 PolarHBondContact O-N 3.36Å; E802-N1149 HydrophobicContact CG-CB 4.46Å; E802-H1152 VanDerWaalsContact C-NE2 3.3Å; E802-H1152 PolarHBondContact O-NE2 2.8Å; E802-R1153 IonicContact OE1-CZ 3.02Å; E802-R1153 IonicContact OE1-NH2 3.21Å; E802-R1153 PolarHBondContact OE1-NH2 3.37Å; E802-R1153 IonicContact OE2-CZ 2.98Å; E802-R1153 VanDerWaalsContact OE2-CZ 3.3Å; E802-R1153 IonicContact OE2-NE 2.99Å; E802-R1153 PolarHBondContact OE2-NE 3.39Å; E802-R1153 IonicContact OE2-NH2 3.43Å; E802-R1153 PolarHBondContact OE2-NH2 2.92Å; E802-R1156 PolarHBondContact O-NH2 3.22Å |
| 803 | E | 74.6 | Confident | 82.9 | Confident | 139 Ų | 139 | 45 Ų | 45 | 65% | 0.65 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -84.9 | 37.7 | -173.8 | -64.9 | -138.2 | 98.8 | 0 | 0 | 113.9 | R1246 | E803-R1246 IonicContact OE1-CZ 2.76Å; E803-R1246 IonicContact OE1-NH2 2.81Å; E803-R1246 PolarHBondContact OE1-NH2 2.82Å |
| 804 | M | 78.8 | Confident | 82.4 | Confident | 19 Ų | 19 | 44.1 Ų | 44.1 | 9% | 0.094 | 23% | 0.225 | C | C | . | . | trans | -59.5 | 142.1 | 177.3 | -54 | -169.8 | 68.5 | 0 | 0 | 111.2 | S801 E802 Q808 L809 M812 R1156 | S801-M804 VanDerWaalsContact O-CG 3.25Å; S801-M804 WeakPolarHBondContact O-CG 3.4Å; E802-M804 PolarHBondContact O-N 3.36Å; M804-Q808 HydrophobicContact CB-CB 4.2Å; M804-Q808 HydrophobicContact CE-CB 3.98Å; M804-L809 HydrophobicContact CB-CD2 4.28Å; M804-L809 HydrophobicContact SD-CD2 4.44Å; M804-M812 HydrophobicContact CE-CG 3.88Å; M804-M812 HydrophobicContact CE-SD 3.34Å; M804-M812 WeakPolarHBondContact CE-SD 3.36Å; M804-M812 HydrophobicContact SD-SD 3.44Å; M804-R1156 VanDerWaalsContact O-CZ 3.28Å; M804-R1156 PolarHBondContact O-NH1 2.97Å; M804-R1156 PolarHBondContact O-NH2 3Å | ||
| 805 | T | 83.7 | Confident | 82.1 | Confident | 69 Ų | 69 | 41.5 Ų | 41.5 | 42% | 0.423 | 22% | 0.216 | S | C | . | . | trans | -69.4 | 166.5 | 173.4 | 66.8 | 0 | 0 | 0 | 0 | 111.3 | Q808 L809 | T805-Q808 PolarHBondContact O-N 3.04Å; T805-Q808 WeakPolarHBondContact OG1-CB 3.31Å; T805-Q808 VanDerWaalsContact OG1-CG 3.24Å; T805-Q808 WeakPolarHBondContact OG1-CG 3.45Å; T805-Q808 PolarHBondContact OG1-N 2.91Å; T805-L809 PolarHBondContact O-N 2.87Å | ||
| 806 | E | 83.1 | Confident | 81.5 | Confident | 143 Ų | 143 | 46.8 Ų | 46.8 | 67% | 0.668 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -60.9 | -45.1 | 175.8 | -164.9 | 156.1 | -145.6 | 0 | 0 | 111 | Q808 L809 E810 | E806-Q808 VanDerWaalsContact C-N 3.28Å; E806-Q808 PolarHBondContact O-N 3.43Å; E806-L809 WeakPolarHBondContact O-CB 3.5Å; E806-L809 PolarHBondContact O-N 3.43Å; E806-E810 PolarHBondContact O-N 3.14Å |
| 807 | E | 82.1 | Confident | 81.4 | Confident | 111 Ų | 111 | 47.9 Ų | 47.9 | 52% | 0.519 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.5 | -33.6 | 174.1 | -57.4 | -179.6 | 167.5 | 0 | 0 | 113.5 | E810 S811 | E807-E810 WeakPolarHBondContact CA-OE2 3.21Å; E807-S811 WeakPolarHBondContact O-CB 3.41Å; E807-S811 PolarHBondContact O-N 3.36Å; E807-S811 VanDerWaalsContact O-N 3.08Å; E807-S811 PolarHBondContact O-OG 2.91Å |
| 808 | Q | 84 | Confident | 81.5 | Confident | 41 Ų | 41 | 47.3 Ų | 47.3 | 19% | 0.192 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -72.8 | -34.6 | 174.8 | -74.9 | 171.1 | -16 | 0 | 0 | 111.8 | M804 T805 E806 S811 M812 | M804-Q808 HydrophobicContact CB-CB 4.2Å; M804-Q808 HydrophobicContact CE-CB 3.98Å; T805-Q808 PolarHBondContact O-N 3.04Å; T805-Q808 WeakPolarHBondContact OG1-CB 3.31Å; T805-Q808 VanDerWaalsContact OG1-CG 3.24Å; T805-Q808 WeakPolarHBondContact OG1-CG 3.45Å; T805-Q808 PolarHBondContact OG1-N 2.91Å; E806-Q808 VanDerWaalsContact C-N 3.28Å; E806-Q808 PolarHBondContact O-N 3.43Å; Q808-S811 PolarHBondContact O-N 3.33Å; Q808-M812 WeakPolarHBondContact O-CG 3.41Å; Q808-M812 PolarHBondContact O-N 2.97Å |
| 809 | L | 84.3 | Confident | 81.1 | Confident | 19 Ų | 19 | 49.1 Ų | 49.1 | 10% | 0.099 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.2 | -39.4 | 172.2 | -70.9 | -172.6 | 0 | 0 | 0 | 112.6 | M804 T805 E806 S811 M812 S813 A1105 T1106 I1109 | M804-L809 HydrophobicContact CB-CD2 4.28Å; M804-L809 HydrophobicContact SD-CD2 4.44Å; T805-L809 PolarHBondContact O-N 2.87Å; E806-L809 WeakPolarHBondContact O-CB 3.5Å; E806-L809 PolarHBondContact O-N 3.43Å; L809-S811 VanDerWaalsContact C-N 3.29Å; L809-S811 PolarHBondContact O-N 2.95Å; L809-M812 PolarHBondContact O-N 3.47Å; L809-S813 PolarHBondContact O-N 3.36Å; L809-S813 PolarHBondContact O-OG 3.25Å; L809-A1105 HydrophobicContact CD2-CB 4.15Å; L809-T1106 HydrophobicContact CD2-CG2 4.27Å; L809-I1109 HydrophobicContact CD1-CD1 4.38Å; L809-I1109 HydrophobicContact CD1-CG1 3.95Å |
| 810 | E | 84.7 | Confident | 80.8 | Confident | 55 Ų | 55 | 47.6 Ų | 47.6 | 26% | 0.257 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -55.2 | -50 | 170.3 | -69.6 | -179.5 | 118.2 | 0 | 0 | 109.7 | E806 E807 M812 S813 P1008 S1010 A1011 R1014 | E806-E810 PolarHBondContact O-N 3.14Å; E807-E810 WeakPolarHBondContact CA-OE2 3.21Å; E810-M812 VanDerWaalsContact C-N 3.32Å; E810-M812 PolarHBondContact O-N 3.13Å; E810-S813 WeakPolarHBondContact O-CB 3.36Å; E810-S813 PolarHBondContact O-N 3.48Å; E810-P1008 VanDerWaalsContact O-CB 3.32Å; E810-P1008 WeakPolarHBondContact O-CB 3.36Å; E810-P1008 WeakPolarHBondContact O-CG 3.46Å; E810-S1010 PolarHBondContact OE1-OG 3.24Å; E810-A1011 HydrophobicContact CB-CB 4.15Å; E810-R1014 IonicContact OE1-NH2 2.68Å; E810-R1014 IonicContact OE2-CZ 3.11Å; E810-R1014 IonicContact OE2-NH1 3.14Å; E810-R1014 PolarHBondContact OE2-NH1 2.62Å; E810-R1014 IonicContact OE2-NH2 3.49Å; E810-R1014 PolarHBondContact OE2-NH2 3.32Å |
| 811 | S | 84.1 | Confident | 80.3 | Confident | 7 Ų | 7 | 47.5 Ų | 47.5 | 5% | 0.049 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.8 | -33.5 | -179.2 | -55 | 0 | 0 | 0 | 0 | 113.2 | E807 Q808 L809 S813 G814 | E807-S811 WeakPolarHBondContact O-CB 3.41Å; E807-S811 PolarHBondContact O-N 3.36Å; E807-S811 VanDerWaalsContact O-N 3.08Å; E807-S811 PolarHBondContact O-OG 2.91Å; Q808-S811 PolarHBondContact O-N 3.33Å; L809-S811 VanDerWaalsContact C-N 3.29Å; L809-S811 PolarHBondContact O-N 2.95Å; S811-S813 PolarHBondContact O-N 2.95Å; S811-G814 PolarHBondContact O-N 3.3Å; S811-G814 VanDerWaalsContact O-N 3.15Å |
| 812 | M | 80.8 | Confident | 79.7 | Confident | 49 Ų | 49 | 47.2 Ų | 47.2 | 24% | 0.241 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -10.4 | 172 | -74.9 | -165.6 | 84.1 | 0 | 0 | 114.7 | M804 Q808 L809 E810 L819 T1106 | M804-M812 HydrophobicContact CE-CG 3.88Å; M804-M812 HydrophobicContact CE-SD 3.34Å; M804-M812 WeakPolarHBondContact CE-SD 3.36Å; M804-M812 HydrophobicContact SD-SD 3.44Å; Q808-M812 WeakPolarHBondContact O-CG 3.41Å; Q808-M812 PolarHBondContact O-N 2.97Å; L809-M812 PolarHBondContact O-N 3.47Å; E810-M812 VanDerWaalsContact C-N 3.32Å; E810-M812 PolarHBondContact O-N 3.13Å; M812-L819 HydrophobicContact CG-CD1 3.84Å; M812-T1106 HydrophobicContact CB-CG2 3.68Å; M812-T1106 HydrophobicContact CE-CG2 3.73Å; M812-T1106 HydrophobicContact CG-CG2 4.23Å; M812-T1106 HydrophobicContact SD-CG2 3.47Å; M812-T1106 WeakPolarHBondContact SD-CG2 3.22Å |
| 813 | S | 81.8 | Confident | 78.9 | Confident | 9 Ų | 9 | 46.4 Ų | 46.4 | 6% | 0.063 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 0.3 | 174.1 | -51.5 | 0 | 0 | 0 | 0 | 112.7 | L809 E810 S811 S1002 S1003 P1008 | L809-S813 PolarHBondContact O-N 3.36Å; L809-S813 PolarHBondContact O-OG 3.25Å; E810-S813 WeakPolarHBondContact O-CB 3.36Å; E810-S813 PolarHBondContact O-N 3.48Å; S811-S813 PolarHBondContact O-N 2.95Å; S813-S1002 WeakPolarHBondContact CB-OG 3.41Å; S813-S1002 PolarHBondContact OG-OG 3.4Å; S813-S1003 WeakPolarHBondContact O-CA 3.36Å; S813-S1003 VanDerWaalsContact O-CB 3.25Å; S813-S1003 WeakPolarHBondContact O-CB 3.35Å; S813-P1008 WeakPolarHBondContact O-CD 3.29Å |
| 814 | G | 82.3 | Confident | 78.2 | Confident | 9 Ų | 9 | 45.5 Ų | 45.5 | 9% | 0.093 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -86.6 | -163 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | S811 | S811-G814 PolarHBondContact O-N 3.3Å; S811-G814 VanDerWaalsContact O-N 3.15Å |
| 815 | G | 82.3 | Confident | 77.4 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | trans | -83.3 | -174.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L817 L819 Y1012 E1055 | G815-L817 VanDerWaalsContact C-N 3.32Å; G815-L817 PolarHBondContact O-N 3.38Å; G815-L819 VanDerWaalsContact O-CB 3.3Å; G815-L819 WeakPolarHBondContact O-CB 3.38Å; G815-L819 PolarHBondContact O-N 3.03Å; G815-L819 VanDerWaalsContact O-N 3.1Å; G815-Y1012 PolarHBondContact N-OH 3.14Å; G815-E1055 VanDerWaalsContact CA-CD 3.44Å; G815-E1055 WeakPolarHBondContact CA-OE2 3.48Å | ||
| 816 | E | 79.5 | Confident | 75.9 | Confident | 110 Ų | 110 | 46.7 Ų | 46.7 | 51% | 0.514 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.9 | -33.3 | -174.5 | -159.2 | -161.9 | 139.3 | 0 | 0 | 112 | L819 Q820 E1055 | E816-L819 PolarHBondContact O-N 2.92Å; E816-Q820 VanDerWaalsContact O-CG 3.31Å; E816-Q820 WeakPolarHBondContact O-CG 3.49Å; E816-Q820 PolarHBondContact O-N 3.14Å; E816-Q820 PolarHBondContact OE1-NE2 2.85Å; E816-E1055 PolarHBondContact N-OE2 2.84Å |
| 817 | L | 83.1 | Confident | 74.8 | Confident | 27 Ų | 27 | 46.2 Ų | 46.2 | 14% | 0.141 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -73 | -44.6 | -177.7 | -169.9 | 62.5 | 0 | 0 | 0 | 111.6 | G815 L819 Q820 E821 L1048 R1051 L1052 E1055 | G815-L817 VanDerWaalsContact C-N 3.32Å; G815-L817 PolarHBondContact O-N 3.38Å; L817-L819 VanDerWaalsContact C-N 3.25Å; L817-L819 PolarHBondContact O-N 2.83Å; L817-Q820 PolarHBondContact O-N 3.22Å; L817-E821 HydrophobicContact CD1-CG 4.46Å; L817-E821 WeakPolarHBondContact O-CG 3.38Å; L817-E821 PolarHBondContact O-N 3.24Å; L817-L1048 HydrophobicContact CD1-CD1 3.86Å; L817-L1048 HydrophobicContact CD2-CD1 4.17Å; L817-L1048 HydrophobicContact CG-CD1 4.23Å; L817-R1051 HydrophobicContact CD2-CB 3.44Å; L817-R1051 VanDerWaalsContact CD2-CB 3.44Å; L817-L1052 HydrophobicContact CB-CD2 4.15Å; L817-L1052 HydrophobicContact CD2-CD2 3.92Å; L817-L1052 HydrophobicContact CD2-CG 3.83Å; L817-L1052 HydrophobicContact CG-CD2 3.75Å; L817-L1052 HydrophobicContact CG-CG 4.1Å; L817-E1055 WeakPolarHBondContact CB-OE2 3.23Å; L817-E1055 PolarHBondContact N-OE2 3.3Å |
| 818 | L | 85 | Confident | 74 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.9 | -37.8 | 170.6 | -174.2 | 65.1 | 0 | 0 | 0 | 111.3 | Q820 E821 G822 P1008 A1011 Y1012 Q1015 L1052 E1055 | L818-Q820 PolarHBondContact O-N 3.27Å; L818-E821 PolarHBondContact O-N 3.33Å; L818-G822 WeakPolarHBondContact O-CA 3.34Å; L818-G822 PolarHBondContact O-N 3.47Å; L818-P1008 HydrophobicContact CD2-CG 3.9Å; L818-A1011 HydrophobicContact CD2-CB 3.89Å; L818-Y1012 HydrophobicContact CB-CD1 4.41Å; L818-Y1012 HydrophobicContact CB-CE1 3.77Å; L818-Y1012 HydrophobicContact CD1-CD1 4.37Å; L818-Y1012 HydrophobicContact CD2-CD1 4.26Å; L818-Y1012 HydrophobicContact CD2-CD2 3.85Å; L818-Y1012 HydrophobicContact CD2-CE1 4.13Å; L818-Y1012 HydrophobicContact CD2-CE2 3.72Å; L818-Y1012 HydrophobicContact CD2-CG 4.11Å; L818-Y1012 HydrophobicContact CG-CE1 4.37Å; L818-Q1015 HydrophobicContact CD1-CB 4Å; L818-Q1015 HydrophobicContact CD1-CG 4.43Å; L818-L1052 HydrophobicContact CB-CD2 4.35Å; L818-E1055 PolarHBondContact N-OE1 3.35Å; L818-E1055 VanDerWaalsContact N-OE1 3.14Å |
| 819 | L | 77.7 | Confident | 72.9 | Confident | 43 Ų | 43 | 46.8 Ų | 46.8 | 23% | 0.225 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.6 | -31.2 | 176.9 | -175.2 | 55.6 | 0 | 0 | 0 | 113.3 | M812 G815 E816 L817 G823 Y825 | M812-L819 HydrophobicContact CG-CD1 3.84Å; G815-L819 VanDerWaalsContact O-CB 3.3Å; G815-L819 WeakPolarHBondContact O-CB 3.38Å; G815-L819 PolarHBondContact O-N 3.03Å; G815-L819 VanDerWaalsContact O-N 3.1Å; E816-L819 PolarHBondContact O-N 2.92Å; L817-L819 VanDerWaalsContact C-N 3.25Å; L817-L819 PolarHBondContact O-N 2.83Å; L819-G823 WeakPolarHBondContact O-CA 3.45Å; L819-G823 PolarHBondContact O-N 2.84Å; L819-Y825 HydrophobicContact CD1-CD2 3.81Å; L819-Y825 HydrophobicContact CD1-CE2 3.75Å; L819-Y825 HydrophobicContact CD2-CD2 4.46Å; L819-Y825 HydrophobicContact CD2-CE2 4.2Å; L819-Y825 HydrophobicContact CG-CD2 3.77Å; L819-Y825 HydrophobicContact CG-CE2 3.91Å |
| 820 | Q | 75.8 | Confident | 72 | Confident | 37 Ų | 37 | 52.6 Ų | 52.6 | 17% | 0.173 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -74.4 | -38.3 | 173.4 | -75.9 | 179.9 | 30.5 | 0 | 0 | 113 | E816 L817 L818 R829 | E816-Q820 VanDerWaalsContact O-CG 3.31Å; E816-Q820 WeakPolarHBondContact O-CG 3.49Å; E816-Q820 PolarHBondContact O-N 3.14Å; E816-Q820 PolarHBondContact OE1-NE2 2.85Å; L817-Q820 PolarHBondContact O-N 3.22Å; L818-Q820 PolarHBondContact O-N 3.27Å; Q820-R829 VanDerWaalsContact OE1-CZ 3.25Å |
| 821 | E | 71.6 | Confident | 71.8 | Confident | 49 Ų | 49 | 50.7 Ų | 50.7 | 23% | 0.229 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -92.6 | -37.1 | -172 | -62.2 | -68.8 | 153.3 | 0 | 0 | 113.8 | L817 L818 R829 Q1015 L1048 | L817-E821 HydrophobicContact CD1-CG 4.46Å; L817-E821 WeakPolarHBondContact O-CG 3.38Å; L817-E821 PolarHBondContact O-N 3.24Å; L818-E821 PolarHBondContact O-N 3.33Å; E821-R829 IonicContact OE1-CZ 3.53Å; E821-R829 IonicContact OE1-NH1 2.68Å; E821-R829 PolarHBondContact OE1-NH1 3.35Å; E821-R829 IonicContact OE1-NH2 3.2Å; E821-R829 PolarHBondContact OE1-NH2 3Å; E821-Q1015 HydrophobicContact CB-CG 4.18Å; E821-Q1015 PolarHBondContact O-NE2 3.1Å; E821-L1048 HydrophobicContact CG-CD1 4.23Å; E821-L1048 HydrophobicContact CG-CD2 4.41Å |
| 822 | G | 59.9 | Low | 71.7 | Confident | 22 Ų | 22 | 59.5 Ų | 59.5 | 23% | 0.227 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -13 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L818 | L818-G822 WeakPolarHBondContact O-CA 3.34Å; L818-G822 PolarHBondContact O-N 3.47Å |
| 823 | G | 58 | Low | 72 | Confident | 13 Ų | 13 | 66.4 Ų | 66.4 | 13% | 0.134 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -90.6 | -172.9 | 178 | 0 | 0 | 0 | 0 | 0 | 114.6 | L819 Y825 | L819-G823 WeakPolarHBondContact O-CA 3.45Å; L819-G823 PolarHBondContact O-N 2.84Å; G823-Y825 PolarHBondContact O-N 2.8Å |
| 824 | Y | 59.6 | Low | 72.2 | Confident | 119 Ų | 119 | 67.3 Ų | 67.3 | 47% | 0.467 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 0.9 | -177.1 | -126.2 | -101.6 | 0 | 0 | 0 | 114.3 | D799 | D799-Y824 HydrophobicContact CB-CD1 4.43Š|
| 825 | Y | 61.1 | Low | 72.6 | Confident | 32 Ų | 32 | 67 Ų | 67 | 13% | 0.125 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 12.3 | -152.7 | -66.3 | -58.9 | 0 | 0 | 0 | 116.4 | I798 L819 G823 Q827 I828 | I798-Y825 HydrophobicContact CB-CE1 4.45Å; I798-Y825 HydrophobicContact CG1-CE1 4.38Å; I798-Y825 HydrophobicContact CG2-CE1 4.2Å; L819-Y825 HydrophobicContact CD1-CD2 3.81Å; L819-Y825 HydrophobicContact CD1-CE2 3.75Å; L819-Y825 HydrophobicContact CD2-CD2 4.46Å; L819-Y825 HydrophobicContact CD2-CE2 4.2Å; L819-Y825 HydrophobicContact CG-CD2 3.77Å; L819-Y825 HydrophobicContact CG-CE2 3.91Å; G823-Y825 PolarHBondContact O-N 2.8Å; Y825-Q827 PolarHBondContact O-N 3.15Å; Y825-I828 HydrophobicContact CD1-CD1 3.42Å; Y825-I828 VanDerWaalsContact CD1-CD1 3.42Å; Y825-I828 HydrophobicContact CD1-CG1 4.06Å; Y825-I828 HydrophobicContact CE1-CD1 4.11Å; Y825-I828 HydrophobicContact CG-CD1 3.84Å; Y825-I828 HydrophobicContact CG-CG1 4.48Å; Y825-I828 WeakPolarHBondContact O-CB 3.24Å; Y825-I828 PolarHBondContact O-N 3.37Å |
| 826 | A | 53.4 | Low | 73 | Confident | 81 Ų | 81 | 67.8 Ų | 67.8 | 67% | 0.669 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -18.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 827 | Q | 59.8 | Low | 73.5 | Confident | 134 Ų | 134 | 64.7 Ų | 64.7 | 63% | 0.626 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -15.2 | 176.3 | -61.1 | -168.5 | 10.6 | 0 | 0 | 115.1 | Y825 R829 N830 | Y825-Q827 PolarHBondContact O-N 3.15Å; Q827-R829 PolarHBondContact O-N 2.65Å; Q827-N830 PolarHBondContact O-N 3.09Å |
| 828 | I | 64.3 | Low | 74 | Confident | 34 Ų | 34 | 63.4 Ų | 63.4 | 17% | 0.174 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.8 | -32.2 | -174.4 | -71.3 | -167.9 | 0 | 0 | 0 | 112.6 | I798 Y825 N830 T831 L895 | I798-I828 HydrophobicContact CG1-CD1 3.97Å; Y825-I828 HydrophobicContact CD1-CD1 3.42Å; Y825-I828 VanDerWaalsContact CD1-CD1 3.42Å; Y825-I828 HydrophobicContact CD1-CG1 4.06Å; Y825-I828 HydrophobicContact CE1-CD1 4.11Å; Y825-I828 HydrophobicContact CG-CD1 3.84Å; Y825-I828 HydrophobicContact CG-CG1 4.48Å; Y825-I828 WeakPolarHBondContact O-CB 3.24Å; Y825-I828 PolarHBondContact O-N 3.37Å; I828-N830 PolarHBondContact O-N 3.35Å; I828-N830 VanDerWaalsContact O-N 3.16Å; I828-T831 WeakPolarHBondContact CA-OG1 3.36Å; I828-T831 PolarHBondContact O-N 3.3Å; I828-T831 PolarHBondContact O-OG1 2.88Å; I828-L895 HydrophobicContact CD1-CD1 4.47Å |
| 829 | R | 61.2 | Low | 74.4 | Confident | 129 Ų | 129 | 64.5 Ų | 64.5 | 49% | 0.487 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.9 | -26.8 | 179 | -65.7 | -177.9 | -178.7 | 153.8 | 1.8 | 112.9 | Q820 E821 Q827 | Q820-R829 VanDerWaalsContact OE1-CZ 3.25Å; E821-R829 IonicContact OE1-CZ 3.53Å; E821-R829 IonicContact OE1-NH1 2.68Å; E821-R829 PolarHBondContact OE1-NH1 3.35Å; E821-R829 IonicContact OE1-NH2 3.2Å; E821-R829 PolarHBondContact OE1-NH2 3Å; Q827-R829 PolarHBondContact O-N 2.65Å |
| 830 | N | 67 | Low | 75.1 | Confident | 141 Ų | 141 | 66.2 Ų | 66.2 | 75% | 0.754 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -91.3 | -14.4 | -178.9 | -66.7 | -2 | 0 | 0 | 0 | 113.5 | Q827 I828 | Q827-N830 PolarHBondContact O-N 3.09Å; I828-N830 PolarHBondContact O-N 3.35Å; I828-N830 VanDerWaalsContact O-N 3.16Å |
| 831 | T | 79.2 | Confident | 75.8 | Confident | 15 Ų | 15 | 65.1 Ų | 65.1 | 9% | 0.092 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -99.3 | -14.4 | -174.2 | 46.1 | 0 | 0 | 0 | 0 | 114.1 | M795 S796 I828 R833 N834 A835 | M795-T831 WeakPolarHBondContact O-CB 3.45Å; S796-T831 VanDerWaalsContact C-OG1 3.31Å; S796-T831 WeakPolarHBondContact O-CB 3.27Å; S796-T831 PolarHBondContact O-OG1 2.96Å; I828-T831 WeakPolarHBondContact CA-OG1 3.36Å; I828-T831 PolarHBondContact O-N 3.3Å; I828-T831 PolarHBondContact O-OG1 2.88Å; T831-R833 VanDerWaalsContact C-N 3.28Å; T831-R833 PolarHBondContact O-N 2.88Å; T831-N834 WeakPolarHBondContact O-CA 3.32Å; T831-N834 WeakPolarHBondContact O-CB 3.29Å; T831-N834 PolarHBondContact O-N 3.1Å; T831-A835 PolarHBondContact O-N 3.41Å |
| 832 | R | 82.2 | Confident | 76.8 | Confident | 193 Ų | 193 | 62.9 Ų | 62.9 | 73% | 0.728 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -45.4 | -39.7 | -171.8 | -167.9 | 176.6 | -176.5 | 177.4 | 3.5 | 115.8 | A835 G836 | R832-A835 PolarHBondContact O-N 3.27Å; R832-G836 PolarHBondContact O-N 3.45Å |
| 833 | R | 86.3 | Confident | 78.3 | Confident | 193 Ų | 193 | 63.4 Ų | 63.4 | 73% | 0.728 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -68.2 | -33 | 177.7 | -173 | 176.5 | -179 | -170.2 | 0.2 | 113.2 | T831 R837 | T831-R833 VanDerWaalsContact C-N 3.28Å; T831-R833 PolarHBondContact O-N 2.88Å; R833-R837 WeakPolarHBondContact O-CG 3.38Å; R833-R837 PolarHBondContact O-N 3.36Å |
| 834 | N | 88 | Confident | 79.8 | Confident | 29 Ų | 29 | 69.7 Ų | 69.7 | 16% | 0.155 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -80.3 | -36.6 | 174.9 | -72.7 | -33.6 | 0 | 0 | 0 | 111.5 | R760 M795 T831 G836 R837 L838 | R760-N834 PolarHBondContact O-ND2 3.05Å; M795-N834 HydrophobicContact CB-CB 4.24Å; M795-N834 HydrophobicContact CE-CB 4.09Å; M795-N834 WeakPolarHBondContact CE-O 3.48Å; M795-N834 CarbonylContact O-C 3.5Å; M795-N834 WeakPolarHBondContact O-CB 3.33Å; T831-N834 WeakPolarHBondContact O-CA 3.32Å; T831-N834 WeakPolarHBondContact O-CB 3.29Å; T831-N834 PolarHBondContact O-N 3.1Å; N834-G836 VanDerWaalsContact C-N 3.31Å; N834-G836 PolarHBondContact O-N 3.4Å; N834-R837 PolarHBondContact O-N 3.44Å; N834-R837 PolarHBondContact OD1-NH1 3.29Å; N834-R837 VanDerWaalsContact OD1-NH1 3.13Å; N834-L838 PolarHBondContact O-N 3.36Å |
| 835 | A | 89.6 | Confident | 81.1 | Confident | 2 Ų | 2 | 67.6 Ų | 67.6 | 2% | 0.017 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.8 | -44 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | M795 T831 R832 L838 K839 F892 Q896 | M795-A835 PolarHBondContact O-N 3.19Å; M795-A835 VanDerWaalsContact O-N 3.12Å; T831-A835 PolarHBondContact O-N 3.41Å; R832-A835 PolarHBondContact O-N 3.27Å; A835-L838 PolarHBondContact O-N 3.15Å; A835-K839 PolarHBondContact O-N 2.94Å; A835-F892 HydrophobicContact CB-CE2 4.13Å; A835-F892 WeakPolarHBondContact O-CZ 3.05Å; A835-Q896 HydrophobicContact CB-CG 4.11Å |
| 836 | G | 91.3 | Very high | 82.5 | Confident | 19 Ų | 19 | 71.1 Ų | 71.1 | 20% | 0.196 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -55 | -55.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R832 N834 L838 K839 D840 | R832-G836 PolarHBondContact O-N 3.45Å; N834-G836 VanDerWaalsContact C-N 3.31Å; N834-G836 PolarHBondContact O-N 3.4Å; G836-L838 PolarHBondContact O-N 2.93Å; G836-L838 VanDerWaalsContact O-N 3.15Å; G836-K839 CarbonylContact O-C 3.55Å; G836-K839 WeakPolarHBondContact O-CA 3.27Å; G836-K839 WeakPolarHBondContact O-CB 3.42Å; G836-K839 PolarHBondContact O-N 3.39Å; G836-D840 PolarHBondContact O-N 2.82Å; G836-D840 VanDerWaalsContact O-OD2 3.07Å |
| 837 | R | 90.5 | Very high | 84.4 | Confident | 45 Ų | 45 | 67.4 Ų | 67.4 | 17% | 0.17 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -52.7 | -38 | 176.9 | -75.4 | 174.4 | 57.5 | -137 | -6.5 | 114 | C759 Y762 M795 R833 N834 A841 | C759-R837 PolarHBondContact O-NH1 2.97Å; Y762-R837 PolarHBondContact O-NH1 2.95Å; Y762-R837 VanDerWaalsContact O-NH1 3.09Å; Y762-R837 PolarHBondContact O-NH2 3.33Å; Y762-R837 VanDerWaalsContact O-NH2 3.14Å; M795-R837 HydrophobicContact CE-CB 4.39Å; R833-R837 WeakPolarHBondContact O-CG 3.38Å; R833-R837 PolarHBondContact O-N 3.36Å; N834-R837 PolarHBondContact O-N 3.44Å; N834-R837 PolarHBondContact OD1-NH1 3.29Å; N834-R837 VanDerWaalsContact OD1-NH1 3.13Å; R837-A841 PolarHBondContact O-N 3.04Å |
| 838 | L | 92.6 | Very high | 86 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -71.8 | -40.5 | 177.2 | -179.8 | 60.3 | 0 | 0 | 0 | 111.4 | L766 L770 I791 L792 M795 N834 A835 G836 L842 F892 | L766-L838 HydrophobicContact CD1-CD1 4.21Å; L770-L838 HydrophobicContact CD1-CD1 4.25Å; I791-L838 HydrophobicContact CG2-CD1 3.95Å; I791-L838 HydrophobicContact CG2-CD2 3.99Å; L792-L838 HydrophobicContact CD2-CD2 3.91Å; M795-L838 HydrophobicContact CB-CD2 4.17Å; M795-L838 HydrophobicContact CE-CB 4.19Å; M795-L838 HydrophobicContact SD-CB 4.19Å; M795-L838 HydrophobicContact SD-CD1 4.4Å; M795-L838 HydrophobicContact SD-CD2 4.42Å; N834-L838 PolarHBondContact O-N 3.36Å; A835-L838 PolarHBondContact O-N 3.15Å; G836-L838 PolarHBondContact O-N 2.93Å; G836-L838 VanDerWaalsContact O-N 3.15Å; L838-L842 HydrophobicContact CD1-CD1 4.21Å; L838-L842 HydrophobicContact CD1-CG 4.46Å; L838-L842 HydrophobicContact CG-CD1 4.06Å; L838-L842 WeakPolarHBondContact O-CB 3.05Å; L838-L842 WeakPolarHBondContact O-CD1 3.3Å; L838-L842 VanDerWaalsContact O-CG 3.24Å; L838-L842 WeakPolarHBondContact O-CG 3.18Å; L838-L842 PolarHBondContact O-N 2.95Å; L838-L842 VanDerWaalsContact O-N 3.11Å; L838-F892 HydrophobicContact CB-CE2 4.44Å; L838-F892 HydrophobicContact CB-CZ 3.91Å; L838-F892 HydrophobicContact CD2-CE1 4.31Å; L838-F892 HydrophobicContact CD2-CE2 4.01Å; L838-F892 HydrophobicContact CD2-CZ 3.83Å; L838-F892 HydrophobicContact CG-CE1 4.21Å; L838-F892 HydrophobicContact CG-CE2 4.4Å; L838-F892 HydrophobicContact CG-CZ 3.77Å |
| 839 | K | 93.2 | Very high | 87.3 | Confident | 25 Ų | 25 | 60.1 Ų | 60.1 | 11% | 0.109 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.7 | -47.5 | 174.3 | -175.9 | -131 | 66.3 | 173.6 | 0 | 110.7 | A835 G836 A841 L842 V843 F892 Q896 L897 E901 | A835-K839 PolarHBondContact O-N 2.94Å; G836-K839 CarbonylContact O-C 3.55Å; G836-K839 WeakPolarHBondContact O-CA 3.27Å; G836-K839 WeakPolarHBondContact O-CB 3.42Å; G836-K839 PolarHBondContact O-N 3.39Å; K839-A841 PolarHBondContact O-N 3.16Å; K839-L842 PolarHBondContact O-N 3.44Å; K839-V843 WeakPolarHBondContact O-CG2 3.35Å; K839-V843 PolarHBondContact O-N 3.07Å; K839-F892 HydrophobicContact CB-CE1 4.46Å; K839-F892 HydrophobicContact CB-CZ 4.1Å; K839-Q896 HydrophobicContact CB-CB 4.12Å; K839-Q896 HydrophobicContact CD-CB 4.36Å; K839-Q896 VanDerWaalsContact CD-O 3.28Å; K839-Q896 WeakPolarHBondContact CD-O 3.41Å; K839-Q896 HydrophobicContact CG-CB 4.05Å; K839-L897 HydrophobicContact CD-CD2 4.16Å; K839-L897 HydrophobicContact CG-CD2 3.89Å; K839-E901 IonicContact NZ-OE1 2.81Å; K839-E901 PolarHBondContact NZ-OE1 2.83Å; K839-E901 IonicContact NZ-OE2 2.74Å |
| 840 | D | 92.3 | Very high | 88.9 | Confident | 79 Ų | 79 | 56.1 Ų | 56.1 | 42% | 0.422 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.1 | -48.1 | -179.5 | -58.2 | -34.3 | 0 | 0 | 0 | 111 | G836 L842 V843 E844 | G836-D840 PolarHBondContact O-N 2.82Å; G836-D840 VanDerWaalsContact O-OD2 3.07Å; D840-L842 VanDerWaalsContact C-N 3.34Å; D840-L842 PolarHBondContact O-N 3.23Å; D840-V843 PolarHBondContact O-N 3.16Å; D840-E844 WeakPolarHBondContact O-CB 3.35Å; D840-E844 PolarHBondContact O-N 3.09Å |
| 841 | A | 91.1 | Very high | 90.2 | Very high | 14 Ų | 14 | 49.4 Ų | 49.4 | 12% | 0.116 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.4 | -32.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L766 R837 K839 H845 | L766-A841 HydrophobicContact CB-CB 4.21Å; L766-A841 HydrophobicContact CD1-CB 4.32Å; R837-A841 PolarHBondContact O-N 3.04Å; K839-A841 PolarHBondContact O-N 3.16Å; A841-H845 PolarHBondContact O-CD2 3.29Å; A841-H845 PolarHBondContact O-N 3.31Å |
| 842 | L | 92.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -72.4 | -32.3 | 175.5 | -74.4 | 164.5 | 0 | 0 | 0 | 112.5 | L770 L838 K839 D840 N846 L847 I848 F851 F889 F892 | L770-L842 HydrophobicContact CD1-CD2 3.97Å; L770-L842 HydrophobicContact CD1-CG 4.26Å; L838-L842 HydrophobicContact CD1-CD1 4.21Å; L838-L842 HydrophobicContact CD1-CG 4.46Å; L838-L842 HydrophobicContact CG-CD1 4.06Å; L838-L842 WeakPolarHBondContact O-CB 3.05Å; L838-L842 WeakPolarHBondContact O-CD1 3.3Å; L838-L842 VanDerWaalsContact O-CG 3.24Å; L838-L842 WeakPolarHBondContact O-CG 3.18Å; L838-L842 PolarHBondContact O-N 2.95Å; L838-L842 VanDerWaalsContact O-N 3.11Å; K839-L842 PolarHBondContact O-N 3.44Å; D840-L842 VanDerWaalsContact C-N 3.34Å; D840-L842 PolarHBondContact O-N 3.23Å; L842-N846 PolarHBondContact O-N 2.86Å; L842-L847 HydrophobicContact CD2-CB 4Å; L842-L847 HydrophobicContact CD2-CD1 4.49Å; L842-L847 PolarHBondContact O-N 2.73Å; L842-I848 HydrophobicContact CB-CD1 4.49Å; L842-I848 HydrophobicContact CB-CG1 3.94Å; L842-F851 HydrophobicContact CD2-CD2 3.97Å; L842-F851 HydrophobicContact CD2-CE2 3.92Å; L842-F889 HydrophobicContact CD1-CE2 3.74Å; L842-F889 HydrophobicContact CD1-CZ 4.22Å; L842-F889 HydrophobicContact CD2-CE2 4.26Å; L842-F889 HydrophobicContact CD2-CZ 4.25Å; L842-F892 HydrophobicContact CD1-CD1 4.5Å; L842-F892 HydrophobicContact CD1-CE1 3.77Å |
| 843 | V | 91.8 | Very high | 91.3 | Very high | 34 Ų | 34 | 40.2 Ų | 40.2 | 21% | 0.206 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -76.8 | -49.3 | 176.2 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | K839 D840 H845 N846 I848 L897 | K839-V843 WeakPolarHBondContact O-CG2 3.35Å; K839-V843 PolarHBondContact O-N 3.07Å; D840-V843 PolarHBondContact O-N 3.16Å; V843-H845 VanDerWaalsContact C-N 3.27Å; V843-H845 PolarHBondContact O-N 2.71Å; V843-N846 PolarHBondContact O-N 3.33Å; V843-I848 HydrophobicContact CG2-CD1 3.69Å; V843-L897 HydrophobicContact CG2-CD2 4.29Å |
| 844 | E | 88.8 | Confident | 91.7 | Very high | 145 Ų | 145 | 32.6 Ų | 32.6 | 68% | 0.678 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -55.7 | -41.3 | -177.6 | -177.7 | 170.4 | -172.5 | 0 | 0 | 112.3 | D840 N846 | D840-E844 WeakPolarHBondContact O-CB 3.35Å; D840-E844 PolarHBondContact O-N 3.09Å; E844-N846 PolarHBondContact O-ND2 3.18Å |
| 845 | H | 86.9 | Confident | 92 | Very high | 75 Ų | 75 | 31.2 Ų | 31.2 | 35% | 0.347 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 8.3 | 178.9 | -63 | -76.5 | 0 | 0 | 0 | 114 | A767 A841 V843 L847 | A767-H845 VanDerWaalsContact CB-NE2 3.33Å; A767-H845 WeakPolarHBondContact CB-NE2 3.39Å; A841-H845 PolarHBondContact O-CD2 3.29Å; A841-H845 PolarHBondContact O-N 3.31Å; V843-H845 VanDerWaalsContact C-N 3.27Å; V843-H845 PolarHBondContact O-N 2.71Å; H845-L847 HydrophobicContact CB-CD1 3.89Å; H845-L847 HydrophobicContact CB-CD2 4.09Å; H845-L847 HydrophobicContact CB-CG 3.68Å; H845-L847 WeakPolarHBondContact O-CD2 3.24Å; H845-L847 PolarHBondContact O-N 2.78Å |
| 846 | N | 91.5 | Very high | 92.1 | Very high | 105 Ų | 105 | 31.1 Ų | 31.1 | 56% | 0.561 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 34.5 | 177.8 | -61.2 | -93.4 | 0 | 0 | 0 | 114.3 | L842 V843 E844 P850 | L842-N846 PolarHBondContact O-N 2.86Å; V843-N846 PolarHBondContact O-N 3.33Å; E844-N846 PolarHBondContact O-ND2 3.18Å; N846-P850 WeakPolarHBondContact O-CD 3.25Å |
| 847 | L | 93.2 | Very high | 92.1 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | trans | -84.9 | -15.2 | -170.3 | -56.1 | 178.6 | 0 | 0 | 0 | 113.8 | L770 L774 L842 H845 P850 F851 | L770-L847 HydrophobicContact CB-CD1 3.68Å; L770-L847 HydrophobicContact CD1-CD1 4.26Å; L774-L847 HydrophobicContact CD2-CD2 3.92Å; L842-L847 HydrophobicContact CD2-CB 4Å; L842-L847 HydrophobicContact CD2-CD1 4.49Å; L842-L847 PolarHBondContact O-N 2.73Å; H845-L847 HydrophobicContact CB-CD1 3.89Å; H845-L847 HydrophobicContact CB-CD2 4.09Å; H845-L847 HydrophobicContact CB-CG 3.68Å; H845-L847 WeakPolarHBondContact O-CD2 3.24Å; H845-L847 PolarHBondContact O-N 2.78Å; L847-P850 WeakPolarHBondContact O-CD 3.44Å; L847-F851 HydrophobicContact CB-CD2 3.91Å; L847-F851 HydrophobicContact CB-CE2 3.95Å; L847-F851 HydrophobicContact CD1-CE2 4.37Å; L847-F851 WeakPolarHBondContact O-CB 3.27Å; L847-F851 VanDerWaalsContact O-CD2 3.27Å; L847-F851 WeakPolarHBondContact O-CD2 3.46Å; L847-F851 PolarHBondContact O-N 3.07Å | ||
| 848 | I | 92.9 | Very high | 92 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -54.9 | -61 | -172.7 | -66.9 | 169.2 | 0 | 0 | 0 | 112.3 | L842 V843 F851 I852 L893 L897 Q905 F926 | L842-I848 HydrophobicContact CB-CD1 4.49Å; L842-I848 HydrophobicContact CB-CG1 3.94Å; V843-I848 HydrophobicContact CG2-CD1 3.69Å; I848-F851 PolarHBondContact O-N 2.95Å; I848-I852 HydrophobicContact CG2-CD1 4.16Å; I848-I852 WeakPolarHBondContact O-CG1 3.27Å; I848-I852 PolarHBondContact O-N 3.12Å; I848-I852 VanDerWaalsContact O-N 3.14Å; I848-L893 HydrophobicContact CD1-CD2 4.16Å; I848-L893 HydrophobicContact CG1-CD2 4.06Å; I848-L893 HydrophobicContact CG2-CD1 3.75Å; I848-L893 HydrophobicContact CG2-CD2 4.18Å; I848-L897 HydrophobicContact CD1-CD2 4.22Å; I848-Q905 HydrophobicContact CD1-CB 4.36Å; I848-Q905 HydrophobicContact CD1-CG 4.2Å; I848-F926 HydrophobicContact CG2-CZ 4.47Å |
| 849 | M | 92.2 | Very high | 92 | Very high | 13 Ų | 13 | 33.1 Ų | 33.1 | 6% | 0.064 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.8 | -42.3 | -176.5 | -61.6 | -56.4 | -55.4 | 0 | 0 | 112.8 | F851 I852 F853 Q905 L907 M912 F926 | M849-F851 VanDerWaalsContact C-N 3.3Å; M849-F851 PolarHBondContact O-N 3.01Å; M849-I852 PolarHBondContact O-N 3.41Å; M849-I852 HydrophobicContact SD-CD1 4.11Å; M849-F853 HydrophobicContact CB-CE2 4.1Å; M849-F853 HydrophobicContact CB-CZ 4.27Å; M849-F853 HydrophobicContact CE-CD1 4.42Å; M849-F853 HydrophobicContact CE-CE1 3.52Å; M849-F853 HydrophobicContact CE-CE2 4.42Å; M849-F853 HydrophobicContact CE-CZ 3.52Å; M849-F853 WeakPolarHBondContact O-CD2 3.35Å; M849-F853 VanDerWaalsContact O-CG 3.25Å; M849-F853 WeakPolarHBondContact O-CG 3.39Å; M849-F853 PolarHBondContact O-N 3.25Å; M849-Q905 WeakPolarHBondContact CG-O 3.29Å; M849-L907 HydrophobicContact CB-CD1 4.14Å; M849-L907 HydrophobicContact CE-CB 4.29Å; M849-L907 HydrophobicContact CE-CD1 4.22Å; M849-L907 HydrophobicContact CG-CD1 3.75Å; M849-M912 HydrophobicContact CE-CE 4.06Å; M849-M912 HydrophobicContact CE-CG 4.3Å; M849-M912 HydrophobicContact CE-SD 3.88Å; M849-F926 HydrophobicContact CE-CE1 4.13Å; M849-F926 HydrophobicContact SD-CE1 3.65Å; M849-F926 HydrophobicContact SD-CZ 4.1Å |
| 850 | P | 93.6 | Very high | 91.7 | Very high | 45 Ų | 45 | 34.3 Ų | 34.3 | 29% | 0.292 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -52.5 | -41.6 | 169.6 | -30.4 | 36.6 | 0 | 0 | 0 | 114.4 | L774 N846 L847 L854 | L774-P850 HydrophobicContact CD1-CB 3.82Å; L774-P850 HydrophobicContact CD2-CB 3.79Å; L774-P850 HydrophobicContact CG-CB 4.38Å; N846-P850 WeakPolarHBondContact O-CD 3.25Å; L847-P850 WeakPolarHBondContact O-CD 3.44Å; P850-L854 WeakPolarHBondContact O-CB 3.3Å; P850-L854 VanDerWaalsContact O-CG 3.32Å; P850-L854 WeakPolarHBondContact O-CG 3.5Å; P850-L854 PolarHBondContact O-N 3.32Å |
| 851 | F | 94.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.2 | -43.9 | 176.5 | -90.3 | -58.4 | 0 | 0 | 0 | 112.4 | L770 V773 L774 L777 L788 L842 L847 I848 M849 M855 F889 | L770-F851 HydrophobicContact CB-CE2 4.27Å; L770-F851 HydrophobicContact CB-CZ 4.33Å; L770-F851 HydrophobicContact CD2-CE2 4.4Å; L770-F851 HydrophobicContact CD2-CZ 4.4Å; L770-F851 WeakPolarHBondContact O-CZ 3.2Å; V773-F851 HydrophobicContact CB-CE1 4.46Å; V773-F851 HydrophobicContact CG1-CE1 4.24Å; L774-F851 HydrophobicContact CB-CE1 4Å; L774-F851 HydrophobicContact CB-CZ 3.95Å; L774-F851 HydrophobicContact CD1-CB 4.38Å; L774-F851 HydrophobicContact CD1-CD1 3.59Å; L774-F851 HydrophobicContact CD1-CD2 4.16Å; L774-F851 HydrophobicContact CD1-CE1 3.81Å; L774-F851 HydrophobicContact CD1-CE2 4.37Å; L774-F851 HydrophobicContact CD1-CG 3.77Å; L774-F851 HydrophobicContact CD1-CZ 4.21Å; L777-F851 HydrophobicContact CD1-CD1 3.99Å; L777-F851 HydrophobicContact CD1-CE1 4.14Å; L788-F851 HydrophobicContact CD2-CD1 3.9Å; L788-F851 HydrophobicContact CD2-CE1 3.82Å; L788-F851 HydrophobicContact CD2-CZ 4.41Å; L842-F851 HydrophobicContact CD2-CD2 3.97Å; L842-F851 HydrophobicContact CD2-CE2 3.92Å; L847-F851 HydrophobicContact CB-CD2 3.91Å; L847-F851 HydrophobicContact CB-CE2 3.95Å; L847-F851 HydrophobicContact CD1-CE2 4.37Å; L847-F851 WeakPolarHBondContact O-CB 3.27Å; L847-F851 VanDerWaalsContact O-CD2 3.27Å; L847-F851 WeakPolarHBondContact O-CD2 3.46Å; L847-F851 PolarHBondContact O-N 3.07Å; I848-F851 PolarHBondContact O-N 2.95Å; M849-F851 VanDerWaalsContact C-N 3.3Å; M849-F851 PolarHBondContact O-N 3.01Å; F851-M855 HydrophobicContact CB-CE 4.26Å; F851-M855 WeakPolarHBondContact O-CB 3.31Å; F851-M855 WeakPolarHBondContact O-CE 3.47Å; F851-M855 WeakPolarHBondContact O-CG 3.4Å; F851-M855 PolarHBondContact O-N 3.37Å; F851-F889 HydrophobicContact CB-CD1 4.36Å; F851-F889 HydrophobicContact CB-CE1 3.59Å; F851-F889 HydrophobicContact CB-CZ 3.85Å; F851-F889 HydrophobicContact CD2-CZ 4.18Å; F851-F889 HydrophobicContact CG-CE1 4.47Å; F851-F889 HydrophobicContact CG-CZ 4.3Å |
| 852 | I | 93.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.6 | -49 | 178.1 | -66.6 | 170.1 | 0 | 0 | 0 | 110.6 | I848 M849 A856 F889 L893 M912 F926 | I848-I852 HydrophobicContact CG2-CD1 4.16Å; I848-I852 WeakPolarHBondContact O-CG1 3.27Å; I848-I852 PolarHBondContact O-N 3.12Å; I848-I852 VanDerWaalsContact O-N 3.14Å; M849-I852 PolarHBondContact O-N 3.41Å; M849-I852 HydrophobicContact SD-CD1 4.11Å; I852-A856 WeakPolarHBondContact O-CB 3.38Å; I852-A856 PolarHBondContact O-N 3.08Å; I852-F889 HydrophobicContact CG1-CD1 4.05Å; I852-F889 HydrophobicContact CG1-CE1 3.97Å; I852-L893 HydrophobicContact CD1-CD1 3.97Å; I852-M912 HydrophobicContact CG2-CE 4.03Å; I852-F926 HydrophobicContact CD1-CD1 3.89Å; I852-F926 HydrophobicContact CD1-CD2 3.98Å; I852-F926 HydrophobicContact CD1-CE1 3.49Å; I852-F926 VanDerWaalsContact CD1-CE1 3.49Å; I852-F926 HydrophobicContact CD1-CE2 3.61Å; I852-F926 HydrophobicContact CD1-CG 4.11Å; I852-F926 HydrophobicContact CD1-CZ 3.33Å |
| 853 | F | 92.6 | Very high | 90.6 | Very high | 16 Ų | 16 | 36.7 Ų | 36.7 | 7% | 0.07 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.9 | -50.1 | -179.1 | -62.1 | -23.9 | 0 | 0 | 0 | 111.9 | M849 A856 Q857 L907 M912 F916 V918 | M849-F853 HydrophobicContact CB-CE2 4.1Å; M849-F853 HydrophobicContact CB-CZ 4.27Å; M849-F853 HydrophobicContact CE-CD1 4.42Å; M849-F853 HydrophobicContact CE-CE1 3.52Å; M849-F853 HydrophobicContact CE-CE2 4.42Å; M849-F853 HydrophobicContact CE-CZ 3.52Å; M849-F853 WeakPolarHBondContact O-CD2 3.35Å; M849-F853 VanDerWaalsContact O-CG 3.25Å; M849-F853 WeakPolarHBondContact O-CG 3.39Å; M849-F853 PolarHBondContact O-N 3.25Å; F853-A856 PolarHBondContact O-N 3.32Å; F853-Q857 WeakPolarHBondContact O-CB 3.37Å; F853-Q857 VanDerWaalsContact O-CG 3.27Å; F853-Q857 WeakPolarHBondContact O-CG 3.43Å; F853-Q857 PolarHBondContact O-N 3.03Å; F853-L907 HydrophobicContact CZ-CD1 4.42Å; F853-L907 HydrophobicContact CZ-CD2 4.21Å; F853-M912 HydrophobicContact CE1-CB 4.48Å; F853-M912 HydrophobicContact CE1-CE 4.03Å; F853-M912 HydrophobicContact CE1-CG 3.96Å; F853-M912 HydrophobicContact CZ-CG 4.39Å; F853-F916 HydrophobicContact CD1-CB 4.19Å; F853-F916 HydrophobicContact CD1-CG 4.37Å; F853-F916 HydrophobicContact CD2-CB 4.49Å; F853-F916 AromaticContact CD2-CD1 3.5Å; F853-F916 HydrophobicContact CD2-CD1 3.5Å; F853-F916 VanDerWaalsContact CD2-CD1 3.5Å; F853-F916 AromaticContact CD2-CE1 3.79Å; F853-F916 HydrophobicContact CD2-CE1 3.79Å; F853-F916 AromaticContact CD2-CG 3.92Å; F853-F916 HydrophobicContact CD2-CG 3.92Å; F853-F916 HydrophobicContact CD2-CZ 4.43Å; F853-F916 HydrophobicContact CE1-CB 4.16Å; F853-F916 HydrophobicContact CE1-CD2 4.34Å; F853-F916 HydrophobicContact CE1-CG 4.13Å; F853-F916 HydrophobicContact CE2-CB 4.48Å; F853-F916 AromaticContact CE2-CD1 3.54Å; F853-F916 HydrophobicContact CE2-CD1 3.54Å; F853-F916 AromaticContact CE2-CD2 3.83Å; F853-F916 HydrophobicContact CE2-CD2 3.83Å; F853-F916 AromaticContact CE2-CE1 3.6Å; F853-F916 HydrophobicContact CE2-CE1 3.6Å; F853-F916 AromaticContact CE2-CE2 3.91Å; F853-F916 HydrophobicContact CE2-CE2 3.91Å; F853-F916 AromaticContact CE2-CG 3.66Å; F853-F916 HydrophobicContact CE2-CG 3.66Å; F853-F916 AromaticContact CE2-CZ 3.79Å; F853-F916 HydrophobicContact CE2-CZ 3.79Å; F853-F916 HydrophobicContact CG-CB 4.35Å; F853-F916 HydrophobicContact CG-CD1 4.08Å; F853-F916 HydrophobicContact CG-CG 4.27Å; F853-F916 HydrophobicContact CZ-CB 4.31Å; F853-F916 HydrophobicContact CZ-CD1 4.15Å; F853-F916 AromaticContact CZ-CD2 3.71Å; F853-F916 HydrophobicContact CZ-CD2 3.71Å; F853-F916 HydrophobicContact CZ-CE1 4.45Å; F853-F916 HydrophobicContact CZ-CE2 4.06Å; F853-F916 AromaticContact CZ-CG 3.77Å; F853-F916 HydrophobicContact CZ-CG 3.77Å; F853-F916 HydrophobicContact CZ-CZ 4.41Å; F853-V918 HydrophobicContact CD1-CG2 3.53Å; F853-V918 HydrophobicContact CE1-CG2 3.91Å |
| 854 | L | 93.1 | Very high | 90.1 | Very high | 32 Ų | 32 | 42.4 Ų | 42.4 | 17% | 0.168 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -70.5 | -34 | -176.9 | -68.1 | 171.1 | 0 | 0 | 0 | 112.7 | L774 L777 K778 P850 Q858 | L774-L854 HydrophobicContact CD1-CD1 3.72Å; L774-L854 HydrophobicContact CG-CD1 4.13Å; L777-L854 HydrophobicContact CB-CB 4.07Å; L777-L854 HydrophobicContact CB-CD1 4.25Å; L777-L854 HydrophobicContact CD1-CB 4.35Å; K778-L854 HydrophobicContact CG-CD1 3.52Å; K778-L854 HydrophobicContact CG-CD2 4.28Å; P850-L854 WeakPolarHBondContact O-CB 3.3Å; P850-L854 VanDerWaalsContact O-CG 3.32Å; P850-L854 WeakPolarHBondContact O-CG 3.5Å; P850-L854 PolarHBondContact O-N 3.32Å; L854-Q858 WeakPolarHBondContact O-CB 3.42Å; L854-Q858 PolarHBondContact O-N 3.45Å |
| 855 | M | 94.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.6 | -41.2 | 173.4 | -73.9 | -170.3 | -65.6 | 0 | 0 | 112.2 | L777 L785 L788 F851 R859 C882 T885 L886 F889 | L777-M855 HydrophobicContact CD1-CG 4.11Å; L785-M855 HydrophobicContact CD2-CG 3.98Å; L785-M855 HydrophobicContact CD2-SD 3.85Å; L788-M855 HydrophobicContact CD2-SD 4.13Å; F851-M855 HydrophobicContact CB-CE 4.26Å; F851-M855 WeakPolarHBondContact O-CB 3.31Å; F851-M855 WeakPolarHBondContact O-CE 3.47Å; F851-M855 WeakPolarHBondContact O-CG 3.4Å; F851-M855 PolarHBondContact O-N 3.37Å; M855-R859 VanDerWaalsContact O-CB 3.31Å; M855-R859 WeakPolarHBondContact O-CB 3.4Å; M855-R859 PolarHBondContact O-N 2.92Å; M855-C882 PolarHBondContact O-SG 3.37Å; M855-T885 HydrophobicContact SD-CG2 4.1Å; M855-L886 HydrophobicContact CB-CB 4.32Å; M855-L886 HydrophobicContact CB-CD1 4.08Å; M855-L886 HydrophobicContact CE-CD1 4.15Å; M855-F889 HydrophobicContact CE-CB 3.85Å; M855-F889 HydrophobicContact CE-CD1 3.58Å; M855-F889 HydrophobicContact CE-CE1 4.32Å; M855-F889 HydrophobicContact CE-CG 3.87Å |
| 856 | A | 92.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.3 | -49.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I852 F853 R859 D860 L886 V918 T922 | I852-A856 WeakPolarHBondContact O-CB 3.38Å; I852-A856 PolarHBondContact O-N 3.08Å; F853-A856 PolarHBondContact O-N 3.32Å; A856-R859 WeakPolarHBondContact O-CB 3.42Å; A856-R859 PolarHBondContact O-N 2.75Å; A856-D860 PolarHBondContact O-N 2.89Å; A856-L886 HydrophobicContact CB-CD2 4.47Å; A856-V918 HydrophobicContact CB-CG1 4.22Å; A856-T922 HydrophobicContact CB-CG2 4.17Å |
| 857 | Q | 90.4 | Very high | 86.6 | Confident | 82 Ų | 82 | 41.2 Ų | 41.2 | 38% | 0.383 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.6 | -42.6 | 177.8 | -70 | 172.6 | -8.6 | 0 | 0 | 111.8 | F853 D860 A861 F916 | F853-Q857 WeakPolarHBondContact O-CB 3.37Å; F853-Q857 VanDerWaalsContact O-CG 3.27Å; F853-Q857 WeakPolarHBondContact O-CG 3.43Å; F853-Q857 PolarHBondContact O-N 3.03Å; Q857-D860 PolarHBondContact O-N 3.03Å; Q857-A861 WeakPolarHBondContact O-CB 3.27Å; Q857-A861 PolarHBondContact O-N 3.13Å; Q857-F916 PolarHBondContact NE2-O 3.41Å |
| 858 | Q | 89.9 | Confident | 85 | Confident | 15 Ų | 15 | 47.3 Ų | 47.3 | 7% | 0.07 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.2 | -37 | 178.2 | -178.7 | 65.4 | 14.6 | 0 | 0 | 112.3 | L777 G780 S782 L854 D860 A861 I862 | L777-Q858 HydrophobicContact CD2-CG 4.3Å; G780-Q858 PolarHBondContact O-NE2 2.84Å; S782-Q858 PolarHBondContact OG-NE2 3.38Å; L854-Q858 WeakPolarHBondContact O-CB 3.42Å; L854-Q858 PolarHBondContact O-N 3.45Å; Q858-D860 VanDerWaalsContact C-N 3.35Å; Q858-D860 PolarHBondContact O-N 3.4Å; Q858-A861 PolarHBondContact O-N 3.39Å; Q858-I862 HydrophobicContact CG-CD1 4.12Å; Q858-I862 HydrophobicContact CG-CG1 4.39Å; Q858-I862 VanDerWaalsContact O-CD1 3.31Å; Q858-I862 WeakPolarHBondContact O-CD1 3.34Å; Q858-I862 WeakPolarHBondContact O-CG1 3.01Å; Q858-I862 PolarHBondContact O-N 3.38Å |
| 859 | R | 91.1 | Very high | 83.6 | Confident | 10 Ų | 10 | 55.8 Ų | 55.8 | 4% | 0.038 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -54.2 | -54.1 | 174.5 | -178.8 | -164.9 | 71.8 | 172 | 6.5 | 109.9 | M855 A856 Y879 C882 P919 D921 | M855-R859 VanDerWaalsContact O-CB 3.31Å; M855-R859 WeakPolarHBondContact O-CB 3.4Å; M855-R859 PolarHBondContact O-N 2.92Å; A856-R859 WeakPolarHBondContact O-CB 3.42Å; A856-R859 PolarHBondContact O-N 2.75Å; R859-Y879 HydrophobicContact CG-CD2 3.71Å; R859-Y879 HydrophobicContact CG-CE2 3.62Å; R859-Y879 HydrophobicContact CG-CG 4.27Å; R859-Y879 VanDerWaalsContact O-CD2 3.28Å; R859-Y879 WeakPolarHBondContact O-CD2 3.32Å; R859-C882 HydrophobicContact CB-CB 4.18Å; R859-P919 VanDerWaalsContact NH2-CG 3.34Å; R859-D921 IonicContact CZ-OD2 2.93Å; R859-D921 IonicContact NH1-OD2 3.4Å; R859-D921 PolarHBondContact NH1-OD2 3.33Å; R859-D921 IonicContact NH2-OD1 2.94Å; R859-D921 IonicContact NH2-OD2 2.62Å; R859-D921 PolarHBondContact NH2-OD2 3.28Å |
| 860 | D | 87.6 | Confident | 82.7 | Confident | 50 Ų | 50 | 57.6 Ų | 57.6 | 27% | 0.267 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -70.4 | -39.1 | -177.1 | -63 | 0.7 | 0 | 0 | 0 | 110.9 | A856 Q857 Q858 I862 I863 F864 | A856-D860 PolarHBondContact O-N 2.89Å; Q857-D860 PolarHBondContact O-N 3.03Å; Q858-D860 VanDerWaalsContact C-N 3.35Å; Q858-D860 PolarHBondContact O-N 3.4Å; D860-I862 PolarHBondContact O-N 3.14Å; D860-I863 PolarHBondContact O-N 3.29Å; D860-F864 VanDerWaalsContact O-CD2 3.27Å; D860-F864 WeakPolarHBondContact O-CD2 3.39Å |
| 861 | A | 87.7 | Confident | 81.8 | Confident | 34 Ų | 34 | 60.3 Ų | 60.3 | 28% | 0.281 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.4 | -27.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q857 Q858 I863 F864 L865 | Q857-A861 WeakPolarHBondContact O-CB 3.27Å; Q857-A861 PolarHBondContact O-N 3.13Å; Q858-A861 PolarHBondContact O-N 3.39Å; A861-I863 PolarHBondContact O-N 2.71Å; A861-F864 PolarHBondContact O-N 3.45Å; A861-L865 WeakPolarHBondContact O-CG 3.21Å; A861-L865 PolarHBondContact O-N 3.41Å |
| 862 | I | 86 | Confident | 81.2 | Confident | 2 Ų | 2 | 64.7 Ų | 64.7 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -26.9 | 177.9 | -80.5 | 157.5 | 0 | 0 | 0 | 112.7 | Q858 D860 A875 L878 C882 | Q858-I862 HydrophobicContact CG-CD1 4.12Å; Q858-I862 HydrophobicContact CG-CG1 4.39Å; Q858-I862 VanDerWaalsContact O-CD1 3.31Å; Q858-I862 WeakPolarHBondContact O-CD1 3.34Å; Q858-I862 WeakPolarHBondContact O-CG1 3.01Å; Q858-I862 PolarHBondContact O-N 3.38Å; D860-I862 PolarHBondContact O-N 3.14Å; I862-A875 HydrophobicContact CG2-CB 4.48Å; I862-A875 WeakPolarHBondContact CG2-O 3.46Å; I862-L878 HydrophobicContact CD1-CB 4.06Å; I862-L878 HydrophobicContact CG2-CB 4.16Å; I862-C882 HydrophobicContact CD1-CB 4.26Å |
| 863 | I | 80 | Confident | 80.5 | Confident | 107 Ų | 107 | 68 Ų | 68 | 55% | 0.549 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -27.5 | 178.3 | -60.2 | 167.5 | 0 | 0 | 0 | 112.5 | D860 A861 Y879 | D860-I863 PolarHBondContact O-N 3.29Å; A861-I863 PolarHBondContact O-N 2.71Å; I863-Y879 HydrophobicContact CD1-CD2 3.94Å; I863-Y879 HydrophobicContact CD1-CE2 3.82Å; I863-Y879 HydrophobicContact CG1-CD2 4.27Å |
| 864 | F | 79.6 | Confident | 80 | Confident | 155 Ų | 155 | 67.6 Ų | 67.6 | 68% | 0.68 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.4 | -4.2 | -171.9 | -55.9 | -75.7 | 0 | 0 | 0 | 114.5 | D860 A861 D866 | D860-F864 VanDerWaalsContact O-CD2 3.27Å; D860-F864 WeakPolarHBondContact O-CD2 3.39Å; A861-F864 PolarHBondContact O-N 3.45Å; F864-D866 PolarHBondContact O-N 3Å; F864-D866 VanDerWaalsContact O-N 3.08Å |
| 865 | L | 73.8 | Confident | 79.6 | Confident | 73 Ų | 73 | 67.2 Ų | 67.2 | 38% | 0.382 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -69.4 | 102.3 | 170.5 | -75.5 | 169.3 | 0 | 0 | 0 | 109 | A861 D867 | A861-L865 WeakPolarHBondContact O-CG 3.21Å; A861-L865 PolarHBondContact O-N 3.41Å; L865-D867 PolarHBondContact O-N 3.13Å |
| 866 | D | 53.9 | Low | 79.2 | Confident | 169 Ų | 169 | 68.1 Ų | 68.1 | 90% | 0.904 | 36% | 0.361 | S | S | * | . | trans | -64.2 | 72.2 | 179.6 | -77.3 | -39 | 0 | 0 | 0 | 112.7 | F864 P868 | F864-D866 PolarHBondContact O-N 3Å; F864-D866 VanDerWaalsContact O-N 3.08Å; D866-P868 WeakPolarHBondContact O-CD 3.33Å | ||
| 867 | D | 66 | Low | 78.9 | Confident | 57 Ų | 57 | 72.7 Ų | 72.7 | 31% | 0.305 | 38% | 0.379 | S | S | . | . | trans | -104.6 | 95.6 | 172.9 | 176.4 | -6.7 | 0 | 0 | 0 | 107.5 | L865 E869 R870 | L865-D867 PolarHBondContact O-N 3.13Å; D867-E869 PolarHBondContact O-N 3.25Å; D867-E869 VanDerWaalsContact O-N 3.13Å; D867-E869 PolarHBondContact OD1-N 3.48Å; D867-R870 HydrophobicContact CB-CB 3.88Å; D867-R870 WeakPolarHBondContact O-CB 3.42Å; D867-R870 PolarHBondContact O-N 3.08Å; D867-R870 PolarHBondContact OD1-N 3.48Å; D867-R870 IonicContact OD2-CZ 3.73Å; D867-R870 IonicContact OD2-NE 2.69Å; D867-R870 PolarHBondContact OD2-NE 3.16Å; D867-R870 IonicContact OD2-NH2 2.7Å; D867-R870 PolarHBondContact OD2-NH2 3.01Å | ||
| 868 | P | 61 | Low | 78.8 | Confident | 133 Ų | 133 | 69 Ų | 69 | 86% | 0.864 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -14.2 | -170.3 | 27.5 | -35.5 | 0 | 0 | 0 | 113.5 | D866 | D866-P868 WeakPolarHBondContact O-CD 3.33Š|
| 869 | E | 63.9 | Low | 78.8 | Confident | 179 Ų | 179 | 69.6 Ų | 69.6 | 84% | 0.836 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -11.4 | 175.7 | -58.2 | -172.1 | 172.6 | 0 | 0 | 112.1 | D867 H871 | D867-E869 PolarHBondContact O-N 3.25Å; D867-E869 VanDerWaalsContact O-N 3.13Å; D867-E869 PolarHBondContact OD1-N 3.48Å; E869-H871 PolarHBondContact O-N 2.97Å |
| 870 | R | 71.4 | Confident | 78.9 | Confident | 51 Ų | 51 | 69.9 Ų | 69.9 | 19% | 0.192 | 37% | 0.366 | C | S | . | . | trans | -72.3 | 82.6 | -175.7 | -165.3 | 173.1 | -63.7 | 176 | 4.3 | 113.1 | D867 C872 L874 A875 | D867-R870 HydrophobicContact CB-CB 3.88Å; D867-R870 WeakPolarHBondContact O-CB 3.42Å; D867-R870 PolarHBondContact O-N 3.08Å; D867-R870 PolarHBondContact OD1-N 3.48Å; D867-R870 IonicContact OD2-CZ 3.73Å; D867-R870 IonicContact OD2-NE 2.69Å; D867-R870 PolarHBondContact OD2-NE 3.16Å; D867-R870 IonicContact OD2-NH2 2.7Å; D867-R870 PolarHBondContact OD2-NH2 3.01Å; R870-C872 PolarHBondContact O-N 3.37Å; R870-L874 HydrophobicContact CG-CD2 4.46Å; R870-A875 HydrophobicContact CG-CB 4.31Å | ||
| 871 | H | 76.4 | Confident | 79 | Confident | 102 Ų | 102 | 68.5 Ų | 68.5 | 47% | 0.472 | 36% | 0.357 | S | S | . | . | trans | -49.8 | 128.7 | 172.9 | -171.1 | -89.8 | 0 | 0 | 0 | 111.8 | L742 E869 K873 L874 | L742-H871 HydrophobicContact CD2-CB 3.86Å; E869-H871 PolarHBondContact O-N 2.97Å; H871-K873 PolarHBondContact O-N 3.21Å; H871-L874 WeakPolarHBondContact O-CB 3.38Å; H871-L874 PolarHBondContact O-N 3.37Å | ||
| 872 | C | 80.3 | Confident | 79.2 | Confident | 92 Ų | 92 | 66.9 Ų | 66.9 | 62% | 0.622 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -52.3 | -30.2 | -167 | -59.2 | 0 | 0 | 0 | 0 | 115.3 | R870 L874 A875 G876 | R870-C872 PolarHBondContact O-N 3.37Å; C872-L874 VanDerWaalsContact C-N 3.27Å; C872-L874 PolarHBondContact O-N 3.24Å; C872-A875 PolarHBondContact O-N 2.88Å; C872-G876 PolarHBondContact O-N 2.83Å |
| 873 | K | 80.4 | Confident | 79.5 | Confident | 68 Ų | 68 | 66.9 Ų | 66.9 | 30% | 0.296 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -56.3 | -39.6 | 173.1 | -65.1 | -171.1 | -166.9 | -154.6 | 0 | 112.7 | L742 H871 R877 Y1234 D1278 | L742-K873 HydrophobicContact CD1-CD 4.42Å; H871-K873 PolarHBondContact O-N 3.21Å; K873-R877 VanDerWaalsContact O-CB 3.3Å; K873-R877 WeakPolarHBondContact O-CB 3.44Å; K873-R877 PolarHBondContact O-N 3.45Å; K873-Y1234 HydrophobicContact CD-CD1 4.33Å; K873-Y1234 HydrophobicContact CD-CE1 3.77Å; K873-Y1234 HydrophobicContact CG-CD1 4Å; K873-Y1234 HydrophobicContact CG-CE1 3.69Å; K873-Y1234 PolarHBondContact NZ-OH 2.93Å; K873-D1278 IonicContact NZ-OD2 3.3Å |
| 874 | L | 81.6 | Confident | 80.1 | Confident | 9 Ų | 9 | 62 Ų | 62 | 5% | 0.047 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -72.3 | -43.3 | 179 | 179.5 | 60 | 0 | 0 | 0 | 111 | L739 L742 R870 H871 C872 G876 R877 L878 | L739-L874 HydrophobicContact CD1-CD1 3.56Å; L739-L874 HydrophobicContact CD1-CD2 3.92Å; L739-L874 HydrophobicContact CD1-CG 4.42Å; L739-L874 HydrophobicContact CD2-CD2 3.64Å; L739-L874 HydrophobicContact CG-CD2 4.47Å; L742-L874 HydrophobicContact CD2-CB 4.12Å; R870-L874 HydrophobicContact CG-CD2 4.46Å; H871-L874 WeakPolarHBondContact O-CB 3.38Å; H871-L874 PolarHBondContact O-N 3.37Å; C872-L874 VanDerWaalsContact C-N 3.27Å; C872-L874 PolarHBondContact O-N 3.24Å; L874-G876 PolarHBondContact O-N 2.89Å; L874-R877 PolarHBondContact O-N 2.96Å; L874-L878 HydrophobicContact CD1-CD1 3.96Å; L874-L878 HydrophobicContact CD1-CD2 4.43Å; L874-L878 HydrophobicContact CD1-CG 3.89Å; L874-L878 HydrophobicContact CG-CD1 3.87Å; L874-L878 HydrophobicContact CG-CG 4.24Å; L874-L878 WeakPolarHBondContact O-CB 3.38Å; L874-L878 VanDerWaalsContact O-CG 3.31Å; L874-L878 WeakPolarHBondContact O-CG 3.41Å; L874-L878 PolarHBondContact O-N 3.41Å |
| 875 | A | 83.9 | Confident | 80.8 | Confident | 23 Ų | 23 | 54.6 Ų | 54.6 | 19% | 0.19 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.4 | -49.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I862 R870 C872 R877 L878 Y879 | I862-A875 HydrophobicContact CG2-CB 4.48Å; I862-A875 WeakPolarHBondContact CG2-O 3.46Å; R870-A875 HydrophobicContact CG-CB 4.31Å; C872-A875 PolarHBondContact O-N 2.88Å; A875-R877 PolarHBondContact O-N 3.02Å; A875-L878 PolarHBondContact O-N 3.29Å; A875-Y879 WeakPolarHBondContact O-CB 3.49Å; A875-Y879 PolarHBondContact O-N 2.9Å |
| 876 | G | 87.2 | Confident | 81.8 | Confident | 19 Ų | 19 | 51.1 Ų | 51.1 | 20% | 0.196 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.2 | -45.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | C872 L874 L878 Y879 D880 | C872-G876 PolarHBondContact O-N 2.83Å; L874-G876 PolarHBondContact O-N 2.89Å; G876-L878 PolarHBondContact O-N 2.88Å; G876-Y879 PolarHBondContact O-N 3.25Å; G876-D880 WeakPolarHBondContact O-CB 3.36Å; G876-D880 PolarHBondContact O-N 2.66Å |
| 877 | R | 85.7 | Confident | 83.6 | Confident | 97 Ų | 97 | 44.5 Ų | 44.5 | 37% | 0.366 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.7 | -38.1 | 177.7 | -173.5 | 178.4 | -175.3 | 167.9 | 5.8 | 113.1 | L742 K873 L874 A875 Q881 | L742-R877 PolarHBondContact O-NH1 3.46Å; K873-R877 VanDerWaalsContact O-CB 3.3Å; K873-R877 WeakPolarHBondContact O-CB 3.44Å; K873-R877 PolarHBondContact O-N 3.45Å; L874-R877 PolarHBondContact O-N 2.96Å; A875-R877 PolarHBondContact O-N 3.02Å; R877-Q881 VanDerWaalsContact O-CB 3.28Å; R877-Q881 WeakPolarHBondContact O-CB 3.29Å; R877-Q881 PolarHBondContact O-N 3.23Å |
| 878 | L | 87.1 | Confident | 84.9 | Confident | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -72.3 | -39.1 | 177.4 | -71.1 | 173.8 | 0 | 0 | 0 | 111.6 | Y783 I862 L874 A875 G876 Q881 C882 | Y783-L878 HydrophobicContact CD1-CD2 3.86Å; Y783-L878 HydrophobicContact CE1-CD1 3.97Å; Y783-L878 HydrophobicContact CE1-CD2 3.89Å; I862-L878 HydrophobicContact CD1-CB 4.06Å; I862-L878 HydrophobicContact CG2-CB 4.16Å; L874-L878 HydrophobicContact CD1-CD1 3.96Å; L874-L878 HydrophobicContact CD1-CD2 4.43Å; L874-L878 HydrophobicContact CD1-CG 3.89Å; L874-L878 HydrophobicContact CG-CD1 3.87Å; L874-L878 HydrophobicContact CG-CG 4.24Å; L874-L878 WeakPolarHBondContact O-CB 3.38Å; L874-L878 VanDerWaalsContact O-CG 3.31Å; L874-L878 WeakPolarHBondContact O-CG 3.41Å; L874-L878 PolarHBondContact O-N 3.41Å; A875-L878 PolarHBondContact O-N 3.29Å; G876-L878 PolarHBondContact O-N 2.88Å; L878-Q881 PolarHBondContact O-N 3.17Å; L878-C882 WeakPolarHBondContact O-CB 3.44Å; L878-C882 PolarHBondContact O-N 2.71Å |
| 879 | Y | 91.4 | Very high | 86.4 | Confident | 26 Ų | 26 | 35.7 Ų | 35.7 | 10% | 0.102 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61 | -50.2 | 171.8 | 176.6 | -81.4 | 0 | 0 | 0 | 110.8 | R859 I863 A875 G876 Q881 C882 Q883 T1147 E1150 | R859-Y879 HydrophobicContact CG-CD2 3.71Å; R859-Y879 HydrophobicContact CG-CE2 3.62Å; R859-Y879 HydrophobicContact CG-CG 4.27Å; R859-Y879 VanDerWaalsContact O-CD2 3.28Å; R859-Y879 WeakPolarHBondContact O-CD2 3.32Å; I863-Y879 HydrophobicContact CD1-CD2 3.94Å; I863-Y879 HydrophobicContact CD1-CE2 3.82Å; I863-Y879 HydrophobicContact CG1-CD2 4.27Å; A875-Y879 WeakPolarHBondContact O-CB 3.49Å; A875-Y879 PolarHBondContact O-N 2.9Å; G876-Y879 PolarHBondContact O-N 3.25Å; Y879-Q881 VanDerWaalsContact C-N 3.33Å; Y879-Q881 PolarHBondContact O-N 3.06Å; Y879-C882 WeakPolarHBondContact O-CB 3.21Å; Y879-C882 PolarHBondContact O-N 2.94Å; Y879-C882 VanDerWaalsContact O-N 3.08Å; Y879-Q883 WeakPolarHBondContact O-CB 3.15Å; Y879-Q883 PolarHBondContact O-N 3.02Å; Y879-T1147 HydrophobicContact CD1-CG2 3.44Å; Y879-T1147 VanDerWaalsContact CD1-CG2 3.44Å; Y879-T1147 HydrophobicContact CE1-CG2 3.84Å; Y879-T1147 HydrophobicContact CG-CG2 4.14Å; Y879-E1150 HydrophobicContact CE1-CG 4.41Å; Y879-E1150 VanDerWaalsContact CE1-OE1 3.23Å; Y879-E1150 WeakPolarHBondContact CE1-OE1 3.28Å; Y879-E1150 PolarHBondContact OH-OE1 2.97Å |
| 880 | D | 91.4 | Very high | 87.8 | Confident | 17 Ų | 17 | 27.3 Ų | 27.3 | 9% | 0.091 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.4 | -40.3 | 178.1 | -79.3 | -21.8 | 0 | 0 | 0 | 112.1 | G876 G884 T1147 | G876-D880 WeakPolarHBondContact O-CB 3.36Å; G876-D880 PolarHBondContact O-N 2.66Å; D880-G884 PolarHBondContact O-N 2.87Å; D880-T1147 VanDerWaalsContact OD1-CB 3.25Å; D880-T1147 WeakPolarHBondContact OD1-CB 3.45Å; D880-T1147 PolarHBondContact OD1-OG1 3.26Å; D880-T1147 WeakPolarHBondContact OD2-CB 3.35Å; D880-T1147 PolarHBondContact OD2-OG1 3Å |
| 881 | Q | 89.5 | Confident | 88.6 | Confident | 20 Ų | 20 | 26.8 Ų | 26.8 | 9% | 0.093 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.2 | -40.1 | 173.4 | 177.6 | 176.1 | -26.3 | 0 | 0 | 112.1 | R877 L878 Y879 T885 | R877-Q881 VanDerWaalsContact O-CB 3.28Å; R877-Q881 WeakPolarHBondContact O-CB 3.29Å; R877-Q881 PolarHBondContact O-N 3.23Å; L878-Q881 PolarHBondContact O-N 3.17Å; Y879-Q881 VanDerWaalsContact C-N 3.33Å; Y879-Q881 PolarHBondContact O-N 3.06Å; Q881-T885 WeakPolarHBondContact O-CB 3.33Å; Q881-T885 PolarHBondContact O-N 3.2Å; Q881-T885 PolarHBondContact O-OG1 3.21Å |
| 882 | C | 92.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.4 | -51.3 | 178 | -157.3 | 0 | 0 | 0 | 0 | 110.8 | L785 M855 R859 I862 L878 Y879 G884 T885 L886 | L785-C882 HydrophobicContact CD1-CB 4.21Å; M855-C882 PolarHBondContact O-SG 3.37Å; R859-C882 HydrophobicContact CB-CB 4.18Å; I862-C882 HydrophobicContact CD1-CB 4.26Å; L878-C882 WeakPolarHBondContact O-CB 3.44Å; L878-C882 PolarHBondContact O-N 2.71Å; Y879-C882 WeakPolarHBondContact O-CB 3.21Å; Y879-C882 PolarHBondContact O-N 2.94Å; Y879-C882 VanDerWaalsContact O-N 3.08Å; C882-G884 PolarHBondContact O-N 3.24Å; C882-T885 PolarHBondContact O-N 3.04Å; C882-L886 VanDerWaalsContact O-CB 3.31Å; C882-L886 WeakPolarHBondContact O-CB 3.35Å; C882-L886 PolarHBondContact O-N 3.29Å |
| 883 | Q | 92.8 | Very high | 89.8 | Confident | 2 Ų | 2 | 17.6 Ų | 17.6 | 1% | 0.009 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -57.9 | -45.1 | 176.6 | 177.6 | 61 | 16.3 | 0 | 0 | 111.9 | Y879 L886 V887 F1103 | Y879-Q883 WeakPolarHBondContact O-CB 3.15Å; Y879-Q883 PolarHBondContact O-N 3.02Å; Q883-L886 PolarHBondContact O-N 3.27Å; Q883-V887 WeakPolarHBondContact O-CG2 3.34Å; Q883-V887 PolarHBondContact O-N 3.05Å; Q883-F1103 PolarHBondContact NE2-O 3.45Å |
| 884 | G | 92.5 | Very high | 90.1 | Very high | 4 Ų | 4 | 16.4 Ų | 16.4 | 4% | 0.041 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.5 | -44.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I800 D880 C882 V887 Q888 | I800-G884 WeakPolarHBondContact CD1-O 3.21Å; D880-G884 PolarHBondContact O-N 2.87Å; C882-G884 PolarHBondContact O-N 3.24Å; G884-V887 PolarHBondContact O-N 3.13Å; G884-Q888 WeakPolarHBondContact O-CB 3.44Å; G884-Q888 PolarHBondContact O-N 3.03Å |
| 885 | T | 93.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -68.8 | -36.9 | 179.7 | -48.6 | 0 | 0 | 0 | 0 | 111.6 | L785 L788 R789 M855 Q881 C882 Q888 F889 | L785-T885 HydrophobicContact CD2-CG2 4.33Å; L788-T885 HydrophobicContact CD2-CG2 4.3Å; L788-T885 HydrophobicContact CG-CG2 4.34Å; R789-T885 HydrophobicContact CB-CG2 4.05Å; M855-T885 HydrophobicContact SD-CG2 4.1Å; Q881-T885 WeakPolarHBondContact O-CB 3.33Å; Q881-T885 PolarHBondContact O-N 3.2Å; Q881-T885 PolarHBondContact O-OG1 3.21Å; C882-T885 PolarHBondContact O-N 3.04Å; T885-Q888 PolarHBondContact O-N 3.45Å; T885-F889 WeakPolarHBondContact O-CB 3.3Å; T885-F889 PolarHBondContact O-N 2.72Å |
| 886 | L | 94.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.8 | -47.8 | 173.8 | 175.3 | 60.3 | 0 | 0 | 0 | 111.8 | M855 A856 C882 Q883 F889 I890 T922 | M855-L886 HydrophobicContact CB-CB 4.32Å; M855-L886 HydrophobicContact CB-CD1 4.08Å; M855-L886 HydrophobicContact CE-CD1 4.15Å; A856-L886 HydrophobicContact CB-CD2 4.47Å; C882-L886 VanDerWaalsContact O-CB 3.31Å; C882-L886 WeakPolarHBondContact O-CB 3.35Å; C882-L886 PolarHBondContact O-N 3.29Å; Q883-L886 PolarHBondContact O-N 3.27Å; L886-F889 PolarHBondContact O-N 2.69Å; L886-I890 HydrophobicContact CD1-CD1 3.87Å; L886-I890 HydrophobicContact CD1-CG1 4.36Å; L886-I890 HydrophobicContact CG-CD1 4.11Å; L886-I890 WeakPolarHBondContact O-CG1 3.43Å; L886-I890 PolarHBondContact O-N 3.48Å; L886-T922 HydrophobicContact CD1-CG2 4.19Å; L886-T922 HydrophobicContact CD2-CG2 3.92Å; L886-T922 HydrophobicContact CG-CG2 4.42Å |
| 887 | V | 92.6 | Very high | 90.3 | Very high | 30 Ų | 30 | 20.4 Ų | 20.4 | 18% | 0.182 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.8 | -42.4 | 176.7 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | Q883 G884 F889 I890 T891 F1103 T1104 | Q883-V887 WeakPolarHBondContact O-CG2 3.34Å; Q883-V887 PolarHBondContact O-N 3.05Å; G884-V887 PolarHBondContact O-N 3.13Å; V887-F889 VanDerWaalsContact C-N 3.32Å; V887-F889 PolarHBondContact O-N 3.02Å; V887-I890 PolarHBondContact O-N 3.08Å; V887-T891 WeakPolarHBondContact O-CB 3.41Å; V887-T891 PolarHBondContact O-N 3.37Å; V887-T891 PolarHBondContact O-OG1 2.75Å; V887-F1103 HydrophobicContact CG2-CE1 4Å; V887-F1103 HydrophobicContact CG2-CZ 4.09Å; V887-T1104 HydrophobicContact CG1-CG2 3.97Å; V887-T1104 HydrophobicContact CG2-CG2 3.92Å |
| 888 | Q | 92.3 | Very high | 90.3 | Very high | 5 Ų | 5 | 19.4 Ų | 19.4 | 2% | 0.023 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.2 | -42.3 | 173.7 | -166.5 | -168.3 | 20.1 | 0 | 0 | 112.1 | R789 L792 I798 I800 G884 T885 T891 F892 | R789-Q888 PolarHBondContact O-NE2 3.44Å; R789-Q888 PolarHBondContact O-OE1 3.49Å; L792-Q888 HydrophobicContact CB-CG 4.2Å; L792-Q888 HydrophobicContact CD1-CG 4.28Å; I798-Q888 HydrophobicContact CG2-CG 3.97Å; I798-Q888 PolarHBondContact O-NE2 3.21Å; I800-Q888 HydrophobicContact CD1-CB 4.13Å; I800-Q888 HydrophobicContact CG1-CB 3.87Å; I800-Q888 HydrophobicContact CG1-CG 4.1Å; G884-Q888 WeakPolarHBondContact O-CB 3.44Å; G884-Q888 PolarHBondContact O-N 3.03Å; T885-Q888 PolarHBondContact O-N 3.45Å; Q888-T891 PolarHBondContact O-N 2.89Å; Q888-F892 WeakPolarHBondContact O-CB 3.16Å; Q888-F892 PolarHBondContact O-N 2.71Å |
| 889 | F | 94.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.7 | -45.1 | 178.5 | -169.3 | -118.9 | 0 | 0 | 0 | 112.3 | L792 L842 F851 I852 M855 T885 L886 V887 T891 F892 L893 | L792-F889 HydrophobicContact CD1-CB 4.12Å; L792-F889 HydrophobicContact CD1-CD2 4.01Å; L792-F889 HydrophobicContact CD2-CD2 3.99Å; L842-F889 HydrophobicContact CD1-CE2 3.74Å; L842-F889 HydrophobicContact CD1-CZ 4.22Å; L842-F889 HydrophobicContact CD2-CE2 4.26Å; L842-F889 HydrophobicContact CD2-CZ 4.25Å; F851-F889 HydrophobicContact CB-CD1 4.36Å; F851-F889 HydrophobicContact CB-CE1 3.59Å; F851-F889 HydrophobicContact CB-CZ 3.85Å; F851-F889 HydrophobicContact CD2-CZ 4.18Å; F851-F889 HydrophobicContact CG-CE1 4.47Å; F851-F889 HydrophobicContact CG-CZ 4.3Å; I852-F889 HydrophobicContact CG1-CD1 4.05Å; I852-F889 HydrophobicContact CG1-CE1 3.97Å; M855-F889 HydrophobicContact CE-CB 3.85Å; M855-F889 HydrophobicContact CE-CD1 3.58Å; M855-F889 HydrophobicContact CE-CE1 4.32Å; M855-F889 HydrophobicContact CE-CG 3.87Å; T885-F889 WeakPolarHBondContact O-CB 3.3Å; T885-F889 PolarHBondContact O-N 2.72Å; L886-F889 PolarHBondContact O-N 2.69Å; V887-F889 VanDerWaalsContact C-N 3.32Å; V887-F889 PolarHBondContact O-N 3.02Å; F889-T891 VanDerWaalsContact C-N 3.29Å; F889-T891 PolarHBondContact O-N 3.3Å; F889-F892 WeakPolarHBondContact O-CB 3.37Å; F889-F892 PolarHBondContact O-N 2.96Å; F889-L893 HydrophobicContact CD1-CD1 3.85Å; F889-L893 HydrophobicContact CE1-CD1 3.66Å; F889-L893 HydrophobicContact CE1-CG 4.42Å; F889-L893 HydrophobicContact CG-CD1 4.46Å; F889-L893 HydrophobicContact CZ-CD1 4.1Å; F889-L893 HydrophobicContact CZ-CD2 4.39Å; F889-L893 HydrophobicContact CZ-CG 4.45Å; F889-L893 WeakPolarHBondContact O-CG 3.33Å; F889-L893 PolarHBondContact O-N 3.42Å |
| 890 | I | 92.1 | Very high | 89.5 | Confident | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.015 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.1 | -40.6 | 175.3 | -69.7 | 167.7 | 0 | 0 | 0 | 110.7 | L886 V887 L893 S894 T922 F926 | L886-I890 HydrophobicContact CD1-CD1 3.87Å; L886-I890 HydrophobicContact CD1-CG1 4.36Å; L886-I890 HydrophobicContact CG-CD1 4.11Å; L886-I890 WeakPolarHBondContact O-CG1 3.43Å; L886-I890 PolarHBondContact O-N 3.48Å; V887-I890 PolarHBondContact O-N 3.08Å; I890-L893 PolarHBondContact O-N 2.94Å; I890-S894 VanDerWaalsContact O-CB 3.32Å; I890-S894 WeakPolarHBondContact O-CB 3.12Å; I890-S894 PolarHBondContact O-N 3.13Å; I890-S894 PolarHBondContact O-OG 3Å; I890-T922 HydrophobicContact CD1-CG2 4.2Å; I890-F926 HydrophobicContact CD1-CB 4.47Å; I890-F926 HydrophobicContact CG1-CD2 4.36Å; I890-F926 HydrophobicContact CG2-CD2 4.29Å |
| 891 | T | 88.5 | Confident | 89.3 | Confident | 41 Ų | 41 | 31.5 Ų | 31.5 | 25% | 0.252 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -65.6 | -41.5 | 176.9 | -54 | 0 | 0 | 0 | 0 | 111.2 | I798 V887 Q888 F889 S894 L895 | I798-T891 HydrophobicContact CD1-CG2 4.37Å; I798-T891 HydrophobicContact CG2-CG2 4.17Å; V887-T891 WeakPolarHBondContact O-CB 3.41Å; V887-T891 PolarHBondContact O-N 3.37Å; V887-T891 PolarHBondContact O-OG1 2.75Å; Q888-T891 PolarHBondContact O-N 2.89Å; F889-T891 VanDerWaalsContact C-N 3.29Å; F889-T891 PolarHBondContact O-N 3.3Å; T891-S894 PolarHBondContact O-N 3.46Å; T891-L895 HydrophobicContact CG2-CD1 4.08Å; T891-L895 WeakPolarHBondContact O-CG 3.33Å; T891-L895 PolarHBondContact O-N 3.14Å; T891-L895 VanDerWaalsContact O-N 3.16Å |
| 892 | F | 90.6 | Very high | 89 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.7 | -49.7 | 173.9 | 168.9 | -98.4 | 0 | 0 | 0 | 112.5 | L792 I798 A835 L838 K839 L842 Q888 F889 S894 L895 Q896 | L792-F892 HydrophobicContact CD2-CB 3.84Å; L792-F892 HydrophobicContact CD2-CD1 3.83Å; L792-F892 HydrophobicContact CD2-CD2 4.13Å; L792-F892 HydrophobicContact CD2-CE1 4.48Å; L792-F892 HydrophobicContact CD2-CG 3.64Å; I798-F892 VanDerWaalsContact CD1-CA 3.5Å; I798-F892 HydrophobicContact CD1-CB 3.87Å; I798-F892 HydrophobicContact CD1-CD2 4.37Å; A835-F892 HydrophobicContact CB-CE2 4.13Å; A835-F892 WeakPolarHBondContact O-CZ 3.05Å; L838-F892 HydrophobicContact CB-CE2 4.44Å; L838-F892 HydrophobicContact CB-CZ 3.91Å; L838-F892 HydrophobicContact CD2-CE1 4.31Å; L838-F892 HydrophobicContact CD2-CE2 4.01Å; L838-F892 HydrophobicContact CD2-CZ 3.83Å; L838-F892 HydrophobicContact CG-CE1 4.21Å; L838-F892 HydrophobicContact CG-CE2 4.4Å; L838-F892 HydrophobicContact CG-CZ 3.77Å; K839-F892 HydrophobicContact CB-CE1 4.46Å; K839-F892 HydrophobicContact CB-CZ 4.1Å; L842-F892 HydrophobicContact CD1-CD1 4.5Å; L842-F892 HydrophobicContact CD1-CE1 3.77Å; Q888-F892 WeakPolarHBondContact O-CB 3.16Å; Q888-F892 PolarHBondContact O-N 2.71Å; F889-F892 WeakPolarHBondContact O-CB 3.37Å; F889-F892 PolarHBondContact O-N 2.96Å; F892-S894 VanDerWaalsContact C-N 3.34Å; F892-S894 PolarHBondContact O-N 3.36Å; F892-L895 PolarHBondContact O-N 3Å; F892-Q896 HydrophobicContact CD2-CG 4.01Å; F892-Q896 HydrophobicContact CE2-CB 4.49Å; F892-Q896 HydrophobicContact CE2-CG 3.68Å; F892-Q896 HydrophobicContact CZ-CB 4.44Å; F892-Q896 HydrophobicContact CZ-CG 4.08Å; F892-Q896 WeakPolarHBondContact O-CB 3.48Å; F892-Q896 WeakPolarHBondContact O-CG 3.47Å; F892-Q896 PolarHBondContact O-N 3.19Å; F892-Q896 VanDerWaalsContact O-N 3.12Å |
| 893 | L | 91.2 | Very high | 88.5 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.7 | -43.7 | 178.3 | -65.4 | 171.5 | 0 | 0 | 0 | 111.2 | I848 I852 F889 I890 L895 Q896 L897 F926 | I848-L893 HydrophobicContact CD1-CD2 4.16Å; I848-L893 HydrophobicContact CG1-CD2 4.06Å; I848-L893 HydrophobicContact CG2-CD1 3.75Å; I848-L893 HydrophobicContact CG2-CD2 4.18Å; I852-L893 HydrophobicContact CD1-CD1 3.97Å; F889-L893 HydrophobicContact CD1-CD1 3.85Å; F889-L893 HydrophobicContact CE1-CD1 3.66Å; F889-L893 HydrophobicContact CE1-CG 4.42Å; F889-L893 HydrophobicContact CG-CD1 4.46Å; F889-L893 HydrophobicContact CZ-CD1 4.1Å; F889-L893 HydrophobicContact CZ-CD2 4.39Å; F889-L893 HydrophobicContact CZ-CG 4.45Å; F889-L893 WeakPolarHBondContact O-CG 3.33Å; F889-L893 PolarHBondContact O-N 3.42Å; I890-L893 PolarHBondContact O-N 2.94Å; L893-L895 PolarHBondContact O-N 3.49Å; L893-Q896 PolarHBondContact O-N 2.86Å; L893-L897 HydrophobicContact CB-CD1 4Å; L893-L897 HydrophobicContact CB-CG 4.41Å; L893-L897 HydrophobicContact CD2-CD1 4.16Å; L893-L897 HydrophobicContact CD2-CG 4.37Å; L893-L897 WeakPolarHBondContact O-CB 3.46Å; L893-L897 WeakPolarHBondContact O-CG 3.28Å; L893-L897 PolarHBondContact O-N 2.93Å; L893-F926 HydrophobicContact CB-CE2 4.36Å; L893-F926 HydrophobicContact CD1-CE2 3.82Å; L893-F926 HydrophobicContact CD1-CZ 4.37Å |
| 894 | S | 85.9 | Confident | 88.1 | Confident | 43 Ų | 43 | 41.5 Ų | 41.5 | 30% | 0.301 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.5 | -30.5 | 177.6 | -59.2 | 0 | 0 | 0 | 0 | 113.6 | I890 T891 F892 N929 | I890-S894 VanDerWaalsContact O-CB 3.32Å; I890-S894 WeakPolarHBondContact O-CB 3.12Å; I890-S894 PolarHBondContact O-N 3.13Å; I890-S894 PolarHBondContact O-OG 3Å; T891-S894 PolarHBondContact O-N 3.46Å; F892-S894 VanDerWaalsContact C-N 3.34Å; F892-S894 PolarHBondContact O-N 3.36Å; S894-N929 VanDerWaalsContact CB-ND2 3.29Å; S894-N929 WeakPolarHBondContact CB-ND2 3.13Å; S894-N929 PolarHBondContact OG-ND2 3.04Å |
| 895 | L | 83.6 | Confident | 87.6 | Confident | 71 Ų | 71 | 43.2 Ų | 43.2 | 37% | 0.372 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -95.3 | -12.3 | -178.8 | -69.8 | 171.9 | 0 | 0 | 0 | 113.9 | I798 I828 T891 F892 L893 | I798-L895 HydrophobicContact CD1-CD1 3.94Å; I798-L895 HydrophobicContact CG1-CD1 4.46Å; I828-L895 HydrophobicContact CD1-CD1 4.47Å; T891-L895 HydrophobicContact CG2-CD1 4.08Å; T891-L895 WeakPolarHBondContact O-CG 3.33Å; T891-L895 PolarHBondContact O-N 3.14Å; T891-L895 VanDerWaalsContact O-N 3.16Å; F892-L895 PolarHBondContact O-N 3Å; L893-L895 PolarHBondContact O-N 3.49Å |
| 896 | Q | 87.5 | Confident | 87.1 | Confident | 45 Ų | 45 | 44 Ų | 44 | 21% | 0.21 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -121.2 | -26.4 | -173.4 | -63.1 | -57.8 | -76.3 | 0 | 0 | 115 | A835 K839 F892 L893 | A835-Q896 HydrophobicContact CB-CG 4.11Å; K839-Q896 HydrophobicContact CB-CB 4.12Å; K839-Q896 HydrophobicContact CD-CB 4.36Å; K839-Q896 VanDerWaalsContact CD-O 3.28Å; K839-Q896 WeakPolarHBondContact CD-O 3.41Å; K839-Q896 HydrophobicContact CG-CB 4.05Å; F892-Q896 HydrophobicContact CD2-CG 4.01Å; F892-Q896 HydrophobicContact CE2-CB 4.49Å; F892-Q896 HydrophobicContact CE2-CG 3.68Å; F892-Q896 HydrophobicContact CZ-CB 4.44Å; F892-Q896 HydrophobicContact CZ-CG 4.08Å; F892-Q896 WeakPolarHBondContact O-CB 3.48Å; F892-Q896 WeakPolarHBondContact O-CG 3.47Å; F892-Q896 PolarHBondContact O-N 3.19Å; F892-Q896 VanDerWaalsContact O-N 3.12Å; L893-Q896 PolarHBondContact O-N 2.86Å |
| 897 | L | 86.7 | Confident | 86.7 | Confident | 18 Ų | 18 | 46.5 Ų | 46.5 | 9% | 0.094 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -76.2 | 132.3 | 173.3 | -62.7 | 175.7 | 0 | 0 | 0 | 110.1 | K839 V843 I848 L893 E901 M902 | K839-L897 HydrophobicContact CD-CD2 4.16Å; K839-L897 HydrophobicContact CG-CD2 3.89Å; V843-L897 HydrophobicContact CG2-CD2 4.29Å; I848-L897 HydrophobicContact CD1-CD2 4.22Å; L893-L897 HydrophobicContact CB-CD1 4Å; L893-L897 HydrophobicContact CB-CG 4.41Å; L893-L897 HydrophobicContact CD2-CD1 4.16Å; L893-L897 HydrophobicContact CD2-CG 4.37Å; L893-L897 WeakPolarHBondContact O-CB 3.46Å; L893-L897 WeakPolarHBondContact O-CG 3.28Å; L893-L897 PolarHBondContact O-N 2.93Å; L897-E901 HydrophobicContact CB-CB 4.35Å; L897-E901 HydrophobicContact CD2-CB 4.14Å; L897-M902 HydrophobicContact CB-CB 4.17Å; L897-M902 HydrophobicContact CD1-CB 4.3Å; L897-M902 HydrophobicContact CD1-CG 4.41Å |
| 898 | T | 85 | Confident | 86.4 | Confident | 77 Ų | 77 | 50.2 Ų | 50.2 | 47% | 0.472 | 26% | 0.262 | S | S | . | . | trans | -68.5 | 166 | 164.7 | 59.5 | 0 | 0 | 0 | 0 | 111.1 | D900 E901 M902 | T898-D900 VanDerWaalsContact C-N 3.27Å; T898-D900 PolarHBondContact O-N 2.66Å; T898-E901 WeakPolarHBondContact CB-OE2 3.5Å; T898-E901 WeakPolarHBondContact CG2-OE2 3.23Å; T898-E901 PolarHBondContact N-OE2 2.81Å; T898-E901 PolarHBondContact O-N 3.24Å; T898-E901 WeakPolarHBondContact OG1-CB 3.21Å; T898-E901 VanDerWaalsContact OG1-CD 3.25Å; T898-E901 WeakPolarHBondContact OG1-CG 3.46Å; T898-E901 PolarHBondContact OG1-N 2.97Å; T898-E901 PolarHBondContact OG1-OE2 3.19Å; T898-M902 WeakPolarHBondContact O-CB 3.46Å; T898-M902 PolarHBondContact O-N 3.11Å | ||
| 899 | R | 80 | Confident | 86.2 | Confident | 146 Ų | 146 | 50.5 Ų | 50.5 | 55% | 0.551 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -54.5 | -43.9 | -179.1 | -55.8 | -170.3 | 178.4 | 177.5 | -2.1 | 111.8 | Q903 Q933 | R899-Q903 PolarHBondContact O-N 3.4Å; R899-Q933 HydrophobicContact CG-CG 4.36Å |
| 900 | D | 83.2 | Confident | 85.9 | Confident | 111 Ų | 111 | 53.3 Ų | 53.3 | 59% | 0.594 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -77.8 | -35.5 | -178 | -52.5 | -63.2 | 0 | 0 | 0 | 112.7 | T898 M902 Q903 T904 | T898-D900 VanDerWaalsContact C-N 3.27Å; T898-D900 PolarHBondContact O-N 2.66Å; D900-M902 VanDerWaalsContact C-N 3.35Å; D900-Q903 PolarHBondContact O-N 3.39Å; D900-T904 WeakPolarHBondContact O-CB 3.3Å; D900-T904 WeakPolarHBondContact O-CG2 3.43Å; D900-T904 PolarHBondContact O-N 3.01Å; D900-T904 PolarHBondContact O-OG1 3.41Å |
| 901 | E | 86.5 | Confident | 85.8 | Confident | 44 Ų | 44 | 59.2 Ų | 59.2 | 21% | 0.206 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 171 | -74.2 | 169 | 130.5 | 0 | 0 | 111.2 | K839 L897 T898 T904 Q905 | K839-E901 IonicContact NZ-OE1 2.81Å; K839-E901 PolarHBondContact NZ-OE1 2.83Å; K839-E901 IonicContact NZ-OE2 2.74Å; L897-E901 HydrophobicContact CB-CB 4.35Å; L897-E901 HydrophobicContact CD2-CB 4.14Å; T898-E901 WeakPolarHBondContact CB-OE2 3.5Å; T898-E901 WeakPolarHBondContact CG2-OE2 3.23Å; T898-E901 PolarHBondContact N-OE2 2.81Å; T898-E901 PolarHBondContact O-N 3.24Å; T898-E901 WeakPolarHBondContact OG1-CB 3.21Å; T898-E901 VanDerWaalsContact OG1-CD 3.25Å; T898-E901 WeakPolarHBondContact OG1-CG 3.46Å; T898-E901 PolarHBondContact OG1-N 2.97Å; T898-E901 PolarHBondContact OG1-OE2 3.19Å; E901-T904 WeakPolarHBondContact CA-OG1 3.47Å; E901-T904 PolarHBondContact O-N 3.23Å; E901-T904 PolarHBondContact O-OG1 3.2Å; E901-T904 VanDerWaalsContact O-OG1 3.12Å; E901-Q905 VanDerWaalsContact O-CB 3.31Å; E901-Q905 WeakPolarHBondContact O-CB 3.45Å; E901-Q905 VanDerWaalsContact O-CG 3.25Å; E901-Q905 WeakPolarHBondContact O-CG 3.25Å; E901-Q905 PolarHBondContact O-N 2.98Å |
| 902 | M | 82.4 | Confident | 85.9 | Confident | 5 Ų | 5 | 57.2 Ų | 57.2 | 3% | 0.025 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.1 | -43.2 | 176.1 | -169.1 | 173.5 | 52 | 0 | 0 | 111.3 | L897 T898 D900 T904 C906 N929 L930 Q933 | L897-M902 HydrophobicContact CB-CB 4.17Å; L897-M902 HydrophobicContact CD1-CB 4.3Å; L897-M902 HydrophobicContact CD1-CG 4.41Å; T898-M902 WeakPolarHBondContact O-CB 3.46Å; T898-M902 PolarHBondContact O-N 3.11Å; D900-M902 VanDerWaalsContact C-N 3.35Å; M902-T904 VanDerWaalsContact C-N 3.26Å; M902-T904 PolarHBondContact O-N 2.9Å; M902-C906 VanDerWaalsContact O-CB 3.24Å; M902-C906 WeakPolarHBondContact O-CB 3.5Å; M902-C906 PolarHBondContact O-N 3.08Å; M902-C906 VanDerWaalsContact O-N 3.11Å; M902-C906 PolarHBondContact O-SG 3.01Å; M902-N929 HydrophobicContact CE-CB 3.78Å; M902-N929 HydrophobicContact SD-CB 4Å; M902-L930 HydrophobicContact CB-CD2 4.49Å; M902-L930 HydrophobicContact CE-CD2 3.81Å; M902-L930 HydrophobicContact CE-CG 3.78Å; M902-L930 HydrophobicContact CG-CD1 4.3Å; M902-L930 HydrophobicContact CG-CD2 3.99Å; M902-L930 HydrophobicContact CG-CG 3.97Å; M902-L930 HydrophobicContact SD-CD2 4.41Å; M902-L930 HydrophobicContact SD-CG 4Å; M902-Q933 VanDerWaalsContact CE-NE2 3.25Å; M902-Q933 VanDerWaalsContact CE-OE1 3.28Å |
| 903 | Q | 81.9 | Confident | 85.9 | Confident | 120 Ų | 120 | 58.1 Ų | 58.1 | 56% | 0.561 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -65.3 | -26.4 | 176.3 | -175.9 | 170.8 | -11.3 | 0 | 0 | 113.4 | R899 D900 L930 | R899-Q903 PolarHBondContact O-N 3.4Å; D900-Q903 PolarHBondContact O-N 3.39Å; Q903-L930 HydrophobicContact CB-CD2 4.4Å |
| 904 | T | 84.7 | Confident | 85.7 | Confident | 107 Ų | 107 | 59.3 Ų | 59.3 | 66% | 0.656 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -91 | -28.4 | 179.9 | 48.7 | 0 | 0 | 0 | 0 | 114.3 | D900 E901 M902 | D900-T904 WeakPolarHBondContact O-CB 3.3Å; D900-T904 WeakPolarHBondContact O-CG2 3.43Å; D900-T904 PolarHBondContact O-N 3.01Å; D900-T904 PolarHBondContact O-OG1 3.41Å; E901-T904 WeakPolarHBondContact CA-OG1 3.47Å; E901-T904 PolarHBondContact O-N 3.23Å; E901-T904 PolarHBondContact O-OG1 3.2Å; E901-T904 VanDerWaalsContact O-OG1 3.12Å; M902-T904 VanDerWaalsContact C-N 3.26Å; M902-T904 PolarHBondContact O-N 2.9Å |
| 905 | Q | 82.2 | Confident | 85.9 | Confident | 40 Ų | 40 | 62.6 Ų | 62.6 | 19% | 0.187 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -89.6 | -28.5 | -179.9 | -66.4 | -68 | -52.6 | 0 | 0 | 113.5 | I848 M849 E901 | I848-Q905 HydrophobicContact CD1-CB 4.36Å; I848-Q905 HydrophobicContact CD1-CG 4.2Å; M849-Q905 WeakPolarHBondContact CG-O 3.29Å; E901-Q905 VanDerWaalsContact O-CB 3.31Å; E901-Q905 WeakPolarHBondContact O-CB 3.45Å; E901-Q905 VanDerWaalsContact O-CG 3.25Å; E901-Q905 WeakPolarHBondContact O-CG 3.25Å; E901-Q905 PolarHBondContact O-N 2.98Å |
| 906 | C | 83 | Confident | 86.1 | Confident | 17 Ų | 17 | 62.5 Ų | 62.5 | 12% | 0.115 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 130.6 | -177.9 | -64.5 | 0 | 0 | 0 | 0 | 112.5 | M902 F926 L930 | M902-C906 VanDerWaalsContact O-CB 3.24Å; M902-C906 WeakPolarHBondContact O-CB 3.5Å; M902-C906 PolarHBondContact O-N 3.08Å; M902-C906 VanDerWaalsContact O-N 3.11Å; M902-C906 PolarHBondContact O-SG 3.01Å; C906-F926 HydrophobicContact CB-CE1 4.17Å; C906-F926 WeakPolarHBondContact SG-CE1 3.35Å; C906-F926 WeakPolarHBondContact SG-CZ 3.36Å; C906-L930 HydrophobicContact CB-CD1 3.88Å |
| 907 | L | 86 | Confident | 86.2 | Confident | 53 Ų | 53 | 67.3 Ų | 67.3 | 28% | 0.277 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 146.6 | 161.8 | -81 | 78.7 | 0 | 0 | 0 | 110 | M849 F853 R911 M912 F916 H927 | M849-L907 HydrophobicContact CB-CD1 4.14Å; M849-L907 HydrophobicContact CE-CB 4.29Å; M849-L907 HydrophobicContact CE-CD1 4.22Å; M849-L907 HydrophobicContact CG-CD1 3.75Å; F853-L907 HydrophobicContact CZ-CD1 4.42Å; F853-L907 HydrophobicContact CZ-CD2 4.21Å; L907-R911 HydrophobicContact CD2-CB 4.37Å; L907-M912 HydrophobicContact CB-CG 4.28Å; L907-F916 HydrophobicContact CD2-CD2 4.37Å; L907-F916 HydrophobicContact CD2-CE2 3.65Å; L907-F916 HydrophobicContact CD2-CZ 4.31Å; L907-H927 PolarHBondContact O-CE1 3.45Å |
| 908 | N | 86.5 | Confident | 86.3 | Confident | 108 Ų | 108 | 66.6 Ų | 66.6 | 58% | 0.578 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 148.3 | 174.5 | -62.1 | -25.6 | 0 | 0 | 0 | 112.2 | D910 R911 M912 | N908-D910 VanDerWaalsContact C-N 3.29Å; N908-D910 WeakPolarHBondContact CB-OD1 3.3Å; N908-D910 PolarHBondContact O-N 2.91Å; N908-R911 PolarHBondContact O-N 3.14Å; N908-R911 VanDerWaalsContact O-N 3.09Å; N908-M912 PolarHBondContact O-N 3.31Å; N908-M912 VanDerWaalsContact O-N 3.08Å |
| 909 | I | 88.5 | Confident | 86.6 | Confident | 10 Ų | 10 | 64.5 Ų | 64.5 | 5% | 0.051 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.3 | -32.1 | -175.6 | -166.4 | 160.4 | 0 | 0 | 0 | 114.6 | M912 M913 A923 F924 H927 F931 I973 I977 | I909-M912 PolarHBondContact O-N 3.24Å; I909-M913 HydrophobicContact CD1-SD 4.28Å; I909-M913 HydrophobicContact CG1-CG 4.26Å; I909-M913 HydrophobicContact CG1-SD 3.82Å; I909-M913 WeakPolarHBondContact O-CB 3.44Å; I909-M913 WeakPolarHBondContact O-CG 3.4Å; I909-M913 PolarHBondContact O-N 3.08Å; I909-A923 HydrophobicContact CD1-CB 4.37Å; I909-A923 HydrophobicContact CG1-CB 4.18Å; I909-F924 HydrophobicContact CD1-CD1 4.28Å; I909-F924 HydrophobicContact CD1-CD2 3.75Å; I909-F924 HydrophobicContact CD1-CE1 4.29Å; I909-F924 HydrophobicContact CD1-CE2 3.76Å; I909-F924 HydrophobicContact CD1-CG 4.04Å; I909-F924 HydrophobicContact CD1-CZ 4.04Å; I909-H927 HydrophobicContact CD1-CB 4.44Å; I909-H927 PolarHBondContact N-NE2 2.89Å; I909-F931 HydrophobicContact CD1-CZ 3.97Å; I909-I973 HydrophobicContact CG2-CG2 4.47Å; I909-I977 HydrophobicContact CD1-CD1 4.17Å; I909-I977 HydrophobicContact CG1-CD1 4.4Å; I909-I977 HydrophobicContact CG2-CD1 4.37Å; I909-I977 HydrophobicContact CG2-CG1 4.41Å |
| 910 | D | 88 | Confident | 87.1 | Confident | 59 Ų | 59 | 58.1 Ų | 58.1 | 32% | 0.316 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.4 | -40.7 | 175.1 | 59.1 | -52.3 | 0 | 0 | 0 | 112.1 | N908 G914 A976 | N908-D910 VanDerWaalsContact C-N 3.29Å; N908-D910 WeakPolarHBondContact CB-OD1 3.3Å; N908-D910 PolarHBondContact O-N 2.91Å; D910-G914 VanDerWaalsContact O-CA 3.3Å; D910-G914 WeakPolarHBondContact O-CA 3.34Å; D910-G914 PolarHBondContact O-N 2.81Å; D910-A976 HydrophobicContact CB-CB 4.17Å |
| 911 | R | 89.8 | Confident | 87.5 | Confident | 127 Ų | 127 | 53.6 Ų | 53.6 | 48% | 0.479 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -69.8 | -43.8 | 173.2 | -69.5 | -164 | 153.3 | 158.5 | 5.8 | 112 | L907 N908 M913 G914 E915 F916 | L907-R911 HydrophobicContact CD2-CB 4.37Å; N908-R911 PolarHBondContact O-N 3.14Å; N908-R911 VanDerWaalsContact O-N 3.09Å; R911-M913 VanDerWaalsContact C-N 3.34Å; R911-M913 PolarHBondContact O-N 3.46Å; R911-G914 PolarHBondContact O-N 3.14Å; R911-E915 HydrophobicContact CB-CG 4.38Å; R911-E915 WeakPolarHBondContact CD-OE1 3.44Å; R911-E915 VanDerWaalsContact CD-OE2 3.23Å; R911-E915 WeakPolarHBondContact CD-OE2 3.43Å; R911-E915 HydrophobicContact CG-CG 4.32Å; R911-E915 WeakPolarHBondContact CG-OE1 3.49Å; R911-E915 WeakPolarHBondContact CG-OE2 3.49Å; R911-E915 IonicContact CZ-OE1 3.87Å; R911-E915 IonicContact NE-OE1 2.77Å; R911-E915 PolarHBondContact NE-OE1 2.86Å; R911-E915 IonicContact NE-OE2 3.51Å; R911-E915 PolarHBondContact NE-OE2 3.02Å; R911-E915 IonicContact NH2-OE1 2.77Å; R911-E915 WeakPolarHBondContact O-CA 3.5Å; R911-E915 WeakPolarHBondContact O-CB 3.5Å; R911-E915 PolarHBondContact O-N 3.33Å; R911-F916 PolarHBondContact O-N 3.32Å; R911-F916 VanDerWaalsContact O-N 3.16Å |
| 912 | M | 90.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56.5 | -48.1 | 177.8 | -67.3 | -168.8 | 61 | 0 | 0 | 111.7 | M849 I852 F853 L907 N908 I909 F916 H917 V918 F926 H927 | M849-M912 HydrophobicContact CE-CE 4.06Å; M849-M912 HydrophobicContact CE-CG 4.3Å; M849-M912 HydrophobicContact CE-SD 3.88Å; I852-M912 HydrophobicContact CG2-CE 4.03Å; F853-M912 HydrophobicContact CE1-CB 4.48Å; F853-M912 HydrophobicContact CE1-CE 4.03Å; F853-M912 HydrophobicContact CE1-CG 3.96Å; F853-M912 HydrophobicContact CZ-CG 4.39Å; L907-M912 HydrophobicContact CB-CG 4.28Å; N908-M912 PolarHBondContact O-N 3.31Å; N908-M912 VanDerWaalsContact O-N 3.08Å; I909-M912 PolarHBondContact O-N 3.24Å; M912-F916 CarbonylContact O-C 3.5Å; M912-H917 PolarHBondContact O-N 3.43Å; M912-V918 HydrophobicContact CB-CB 4.32Å; M912-V918 HydrophobicContact CB-CG2 4.34Å; M912-V918 HydrophobicContact CE-CB 4.49Å; M912-V918 HydrophobicContact CE-CG1 4.13Å; M912-V918 HydrophobicContact CE-CG2 4.33Å; M912-V918 WeakPolarHBondContact O-CB 3.49Å; M912-V918 WeakPolarHBondContact O-CG2 3.43Å; M912-V918 PolarHBondContact O-N 3.24Å; M912-F926 HydrophobicContact CE-CD1 4.16Å; M912-F926 HydrophobicContact SD-CD1 4.2Å; M912-H927 VanDerWaalsContact SD-CE1 3.52Å |
| 913 | M | 90.4 | Very high | 88.2 | Confident | 18 Ų | 18 | 51.2 Ų | 51.2 | 9% | 0.089 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -81.2 | -33.6 | -178.1 | -64.7 | 179.3 | 63.2 | 0 | 0 | 113.2 | I909 R911 H917 V918 A920 A923 F924 I977 L980 Y981 | I909-M913 HydrophobicContact CD1-SD 4.28Å; I909-M913 HydrophobicContact CG1-CG 4.26Å; I909-M913 HydrophobicContact CG1-SD 3.82Å; I909-M913 WeakPolarHBondContact O-CB 3.44Å; I909-M913 WeakPolarHBondContact O-CG 3.4Å; I909-M913 PolarHBondContact O-N 3.08Å; R911-M913 VanDerWaalsContact C-N 3.34Å; R911-M913 PolarHBondContact O-N 3.46Å; M913-H917 WeakPolarHBondContact O-CA 3.37Å; M913-V918 WeakPolarHBondContact CG-O 3.32Å; M913-A920 HydrophobicContact CE-CB 3.76Å; M913-A923 HydrophobicContact CG-CB 3.7Å; M913-A923 HydrophobicContact SD-CB 4.13Å; M913-F924 HydrophobicContact SD-CE2 4.29Å; M913-I977 HydrophobicContact SD-CD1 4.27Å; M913-L980 HydrophobicContact CB-CD1 3.64Å; M913-L980 HydrophobicContact CE-CD1 4.3Å; M913-L980 HydrophobicContact SD-CD1 4.35Å; M913-Y981 HydrophobicContact CE-CE2 3.87Å |
| 914 | G | 88.1 | Confident | 88.7 | Confident | 27 Ų | 27 | 45.5 Ų | 45.5 | 28% | 0.278 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -90.3 | -48.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | D910 R911 H917 | D910-G914 VanDerWaalsContact O-CA 3.3Å; D910-G914 WeakPolarHBondContact O-CA 3.34Å; D910-G914 PolarHBondContact O-N 2.81Å; R911-G914 PolarHBondContact O-N 3.14Å; G914-H917 PolarHBondContact O-CE1 3.08Å; G914-H917 PolarHBondContact O-ND1 3.46Å |
| 915 | E | 89 | Confident | 89 | Confident | 111 Ų | 111 | 41.3 Ų | 41.3 | 52% | 0.519 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -38.7 | -177.5 | -61.8 | 174.9 | 178.1 | 0 | 0 | 112 | R911 | R911-E915 HydrophobicContact CB-CG 4.38Å; R911-E915 WeakPolarHBondContact CD-OE1 3.44Å; R911-E915 VanDerWaalsContact CD-OE2 3.23Å; R911-E915 WeakPolarHBondContact CD-OE2 3.43Å; R911-E915 HydrophobicContact CG-CG 4.32Å; R911-E915 WeakPolarHBondContact CG-OE1 3.49Å; R911-E915 WeakPolarHBondContact CG-OE2 3.49Å; R911-E915 IonicContact CZ-OE1 3.87Å; R911-E915 IonicContact NE-OE1 2.77Å; R911-E915 PolarHBondContact NE-OE1 2.86Å; R911-E915 IonicContact NE-OE2 3.51Å; R911-E915 PolarHBondContact NE-OE2 3.02Å; R911-E915 IonicContact NH2-OE1 2.77Å; R911-E915 WeakPolarHBondContact O-CA 3.5Å; R911-E915 WeakPolarHBondContact O-CB 3.5Å; R911-E915 PolarHBondContact O-N 3.33Å |
| 916 | F | 88.7 | Confident | 89.4 | Confident | 69 Ų | 69 | 39.5 Ų | 39.5 | 30% | 0.303 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -103.3 | -1.7 | -176.3 | -64.5 | -85.9 | 0 | 0 | 0 | 114.2 | F853 Q857 L907 R911 M912 V918 | F853-F916 HydrophobicContact CD1-CB 4.19Å; F853-F916 HydrophobicContact CD1-CG 4.37Å; F853-F916 HydrophobicContact CD2-CB 4.49Å; F853-F916 AromaticContact CD2-CD1 3.5Å; F853-F916 HydrophobicContact CD2-CD1 3.5Å; F853-F916 VanDerWaalsContact CD2-CD1 3.5Å; F853-F916 AromaticContact CD2-CE1 3.79Å; F853-F916 HydrophobicContact CD2-CE1 3.79Å; F853-F916 AromaticContact CD2-CG 3.92Å; F853-F916 HydrophobicContact CD2-CG 3.92Å; F853-F916 HydrophobicContact CD2-CZ 4.43Å; F853-F916 HydrophobicContact CE1-CB 4.16Å; F853-F916 HydrophobicContact CE1-CD2 4.34Å; F853-F916 HydrophobicContact CE1-CG 4.13Å; F853-F916 HydrophobicContact CE2-CB 4.48Å; F853-F916 AromaticContact CE2-CD1 3.54Å; F853-F916 HydrophobicContact CE2-CD1 3.54Å; F853-F916 AromaticContact CE2-CD2 3.83Å; F853-F916 HydrophobicContact CE2-CD2 3.83Å; F853-F916 AromaticContact CE2-CE1 3.6Å; F853-F916 HydrophobicContact CE2-CE1 3.6Å; F853-F916 AromaticContact CE2-CE2 3.91Å; F853-F916 HydrophobicContact CE2-CE2 3.91Å; F853-F916 AromaticContact CE2-CG 3.66Å; F853-F916 HydrophobicContact CE2-CG 3.66Å; F853-F916 AromaticContact CE2-CZ 3.79Å; F853-F916 HydrophobicContact CE2-CZ 3.79Å; F853-F916 HydrophobicContact CG-CB 4.35Å; F853-F916 HydrophobicContact CG-CD1 4.08Å; F853-F916 HydrophobicContact CG-CG 4.27Å; F853-F916 HydrophobicContact CZ-CB 4.31Å; F853-F916 HydrophobicContact CZ-CD1 4.15Å; F853-F916 AromaticContact CZ-CD2 3.71Å; F853-F916 HydrophobicContact CZ-CD2 3.71Å; F853-F916 HydrophobicContact CZ-CE1 4.45Å; F853-F916 HydrophobicContact CZ-CE2 4.06Å; F853-F916 AromaticContact CZ-CG 3.77Å; F853-F916 HydrophobicContact CZ-CG 3.77Å; F853-F916 HydrophobicContact CZ-CZ 4.41Å; Q857-F916 PolarHBondContact NE2-O 3.41Å; L907-F916 HydrophobicContact CD2-CD2 4.37Å; L907-F916 HydrophobicContact CD2-CE2 3.65Å; L907-F916 HydrophobicContact CD2-CZ 4.31Å; R911-F916 PolarHBondContact O-N 3.32Å; R911-F916 VanDerWaalsContact O-N 3.16Å; M912-F916 CarbonylContact O-C 3.5Å; F916-V918 HydrophobicContact CB-CG2 4.09Å; F916-V918 PolarHBondContact O-N 2.92Å; F916-V918 VanDerWaalsContact O-N 3.14Å |
| 917 | H | 89.3 | Confident | 89.7 | Confident | 146 Ų | 146 | 39.2 Ų | 39.2 | 68% | 0.676 | 20% | 0.198 | S | C | * | . | trans | 51.3 | 32 | -179 | -56.9 | -38 | 0 | 0 | 0 | 114.7 | M912 M913 G914 | M912-H917 PolarHBondContact O-N 3.43Å; M913-H917 WeakPolarHBondContact O-CA 3.37Å; G914-H917 PolarHBondContact O-CE1 3.08Å; G914-H917 PolarHBondContact O-ND1 3.46Å | ||
| 918 | V | 89.9 | Confident | 89.9 | Confident | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.018 | 19% | 0.187 | C | C | . | . | trans | -66.7 | 126.5 | 174 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | F853 A856 M912 M913 F916 T922 A923 | F853-V918 HydrophobicContact CD1-CG2 3.53Å; F853-V918 HydrophobicContact CE1-CG2 3.91Å; A856-V918 HydrophobicContact CB-CG1 4.22Å; M912-V918 HydrophobicContact CB-CB 4.32Å; M912-V918 HydrophobicContact CB-CG2 4.34Å; M912-V918 HydrophobicContact CE-CB 4.49Å; M912-V918 HydrophobicContact CE-CG1 4.13Å; M912-V918 HydrophobicContact CE-CG2 4.33Å; M912-V918 WeakPolarHBondContact O-CB 3.49Å; M912-V918 WeakPolarHBondContact O-CG2 3.43Å; M912-V918 PolarHBondContact O-N 3.24Å; M913-V918 WeakPolarHBondContact CG-O 3.32Å; F916-V918 HydrophobicContact CB-CG2 4.09Å; F916-V918 PolarHBondContact O-N 2.92Å; F916-V918 VanDerWaalsContact O-N 3.14Å; V918-T922 HydrophobicContact CG1-CG2 3.91Å; V918-A923 HydrophobicContact CG1-CB 4.18Å | ||
| 919 | P | 90.3 | Very high | 89.7 | Confident | 34 Ų | 34 | 33.6 Ų | 33.6 | 22% | 0.221 | 17% | 0.168 | C | C | . | . | trans | -66.3 | 152.3 | -178.9 | 26.5 | -34.4 | 0 | 0 | 0 | 112.2 | R859 D921 T922 A923 | R859-P919 VanDerWaalsContact NH2-CG 3.34Å; P919-D921 VanDerWaalsContact C-N 3.27Å; P919-D921 VanDerWaalsContact CB-OD1 3.23Å; P919-D921 WeakPolarHBondContact CB-OD1 3.48Å; P919-D921 VanDerWaalsContact CG-OD1 3.26Å; P919-D921 WeakPolarHBondContact CG-OD1 3.36Å; P919-D921 PolarHBondContact O-N 2.9Å; P919-T922 PolarHBondContact O-N 3.27Å; P919-T922 VanDerWaalsContact O-N 3.15Å; P919-A923 PolarHBondContact O-N 3.38Å | ||
| 920 | A | 90 | Very high | 89.6 | Confident | 11 Ų | 11 | 34 Ų | 34 | 9% | 0.091 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.3 | -34.3 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | M913 T922 A923 F924 F994 | M913-A920 HydrophobicContact CE-CB 3.76Å; A920-T922 VanDerWaalsContact C-N 3.32Å; A920-T922 PolarHBondContact O-N 2.97Å; A920-A923 PolarHBondContact O-N 3.07Å; A920-F924 HydrophobicContact CB-CD2 4.34Å; A920-F924 WeakPolarHBondContact O-CB 3.34Å; A920-F924 WeakPolarHBondContact O-CD2 3.29Å; A920-F924 PolarHBondContact O-N 2.79Å; A920-F994 HydrophobicContact CB-CZ 4.32Å |
| 921 | D | 91.5 | Very high | 89.6 | Confident | 16 Ų | 16 | 31.8 Ų | 31.8 | 9% | 0.086 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -54 | -48.2 | 175.6 | 63.2 | -21.3 | 0 | 0 | 0 | 112 | R859 P919 C925 W998 F1103 | R859-D921 IonicContact CZ-OD2 2.93Å; R859-D921 IonicContact NH1-OD2 3.4Å; R859-D921 PolarHBondContact NH1-OD2 3.33Å; R859-D921 IonicContact NH2-OD1 2.94Å; R859-D921 IonicContact NH2-OD2 2.62Å; R859-D921 PolarHBondContact NH2-OD2 3.28Å; P919-D921 VanDerWaalsContact C-N 3.27Å; P919-D921 VanDerWaalsContact CB-OD1 3.23Å; P919-D921 WeakPolarHBondContact CB-OD1 3.48Å; P919-D921 VanDerWaalsContact CG-OD1 3.26Å; P919-D921 WeakPolarHBondContact CG-OD1 3.36Å; P919-D921 PolarHBondContact O-N 2.9Å; D921-C925 WeakPolarHBondContact O-CB 3.37Å; D921-C925 PolarHBondContact O-N 3.3Å; D921-W998 HydrophobicContact CB-CH2 3.92Å; D921-W998 HydrophobicContact CB-CZ3 4.16Å; D921-F1103 HydrophobicContact CB-CD2 3.63Å; D921-F1103 HydrophobicContact CB-CE2 4.01Å; D921-F1103 HydrophobicContact CB-CG 4.22Å; D921-F1103 WeakPolarHBondContact OD2-CD2 3.37Å; D921-F1103 WeakPolarHBondContact OD2-CE2 3.48Å |
| 922 | T | 92.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -77.3 | -45.1 | -178.1 | -55.7 | 0 | 0 | 0 | 0 | 111 | A856 L886 I890 V918 P919 A920 F924 C925 F926 | A856-T922 HydrophobicContact CB-CG2 4.17Å; L886-T922 HydrophobicContact CD1-CG2 4.19Å; L886-T922 HydrophobicContact CD2-CG2 3.92Å; L886-T922 HydrophobicContact CG-CG2 4.42Å; I890-T922 HydrophobicContact CD1-CG2 4.2Å; V918-T922 HydrophobicContact CG1-CG2 3.91Å; P919-T922 PolarHBondContact O-N 3.27Å; P919-T922 VanDerWaalsContact O-N 3.15Å; A920-T922 VanDerWaalsContact C-N 3.32Å; A920-T922 PolarHBondContact O-N 2.97Å; T922-F924 PolarHBondContact O-N 2.64Å; T922-C925 PolarHBondContact O-N 2.88Å; T922-F926 PolarHBondContact O-N 2.97Å; T922-F926 VanDerWaalsContact O-N 3.08Å |
| 923 | A | 92.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.2 | -43.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I909 M913 V918 P919 A920 H927 | I909-A923 HydrophobicContact CD1-CB 4.37Å; I909-A923 HydrophobicContact CG1-CB 4.18Å; M913-A923 HydrophobicContact CG-CB 3.7Å; M913-A923 HydrophobicContact SD-CB 4.13Å; V918-A923 HydrophobicContact CG1-CB 4.18Å; P919-A923 PolarHBondContact O-N 3.38Å; A920-A923 PolarHBondContact O-N 3.07Å; A923-H927 WeakPolarHBondContact O-CB 3.15Å; A923-H927 PolarHBondContact O-N 3.48Å; A923-H927 PolarHBondContact O-ND1 3.32Å |
| 924 | F | 92.4 | Very high | 89 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -74.5 | -39.1 | 173.9 | -82.5 | -96.9 | 0 | 0 | 0 | 112.7 | I909 M913 A920 T922 F926 H927 R928 F931 I973 I977 F994 I995 W998 | I909-F924 HydrophobicContact CD1-CD1 4.28Å; I909-F924 HydrophobicContact CD1-CD2 3.75Å; I909-F924 HydrophobicContact CD1-CE1 4.29Å; I909-F924 HydrophobicContact CD1-CE2 3.76Å; I909-F924 HydrophobicContact CD1-CG 4.04Å; I909-F924 HydrophobicContact CD1-CZ 4.04Å; M913-F924 HydrophobicContact SD-CE2 4.29Å; A920-F924 HydrophobicContact CB-CD2 4.34Å; A920-F924 WeakPolarHBondContact O-CB 3.34Å; A920-F924 WeakPolarHBondContact O-CD2 3.29Å; A920-F924 PolarHBondContact O-N 2.79Å; T922-F924 PolarHBondContact O-N 2.64Å; F924-F926 VanDerWaalsContact C-N 3.26Å; F924-F926 PolarHBondContact O-N 3.04Å; F924-H927 PolarHBondContact O-N 2.9Å; F924-H927 VanDerWaalsContact O-N 3.08Å; F924-R928 WeakPolarHBondContact O-CG 3.28Å; F924-R928 PolarHBondContact O-N 2.91Å; F924-F931 AromaticContact CD1-CE2 3.59Å; F924-F931 HydrophobicContact CD1-CE2 3.59Å; F924-F931 HydrophobicContact CD1-CZ 4.25Å; F924-F931 AromaticContact CE1-CE2 3.91Å; F924-F931 HydrophobicContact CE1-CE2 3.91Å; F924-F931 HydrophobicContact CE1-CZ 4.28Å; F924-I973 HydrophobicContact CZ-CG2 4.5Å; F924-I977 HydrophobicContact CE2-CD1 3.67Å; F924-I977 HydrophobicContact CZ-CD1 3.44Å; F924-I977 VanDerWaalsContact CZ-CD1 3.44Å; F924-F994 AromaticContact CE2-CE1 3.96Å; F924-F994 HydrophobicContact CE2-CE1 3.96Å; F924-F994 HydrophobicContact CZ-CE1 4.13Å; F924-I995 HydrophobicContact CE1-CG2 4.44Å; F924-I995 HydrophobicContact CZ-CG1 4.2Å; F924-W998 HydrophobicContact CB-CB 4.01Å; F924-W998 HydrophobicContact CB-CE3 4.3Å; F924-W998 HydrophobicContact CD1-CB 3.29Å; F924-W998 HydrophobicContact CD1-CG 4.37Å; F924-W998 HydrophobicContact CD2-CB 3.99Å; F924-W998 HydrophobicContact CD2-CG 4.27Å; F924-W998 HydrophobicContact CE1-CB 3.59Å; F924-W998 HydrophobicContact CE2-CB 4.23Å; F924-W998 HydrophobicContact CG-CB 3.51Å; F924-W998 HydrophobicContact CG-CG 4.19Å; F924-W998 HydrophobicContact CZ-CB 4.04Å |
| 925 | C | 91.3 | Very high | 89.1 | Confident | 18 Ų | 18 | 34.5 Ų | 34.5 | 12% | 0.122 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -52.8 | -46.5 | 176.1 | 179.8 | 0 | 0 | 0 | 0 | 111.7 | D921 T922 F1103 | D921-C925 WeakPolarHBondContact O-CB 3.37Å; D921-C925 PolarHBondContact O-N 3.3Å; T922-C925 PolarHBondContact O-N 2.88Å; C925-F1103 HydrophobicContact CB-CE1 3.69Å; C925-F1103 HydrophobicContact CB-CZ 3.88Å; C925-F1103 VanDerWaalsContact SG-CE1 3.57Å |
| 926 | F | 89.2 | Confident | 89 | Confident | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.009 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -69.3 | -37.1 | 176.6 | -172.9 | -131.4 | 0 | 0 | 0 | 113.1 | I848 M849 I852 I890 L893 C906 M912 T922 F924 | I848-F926 HydrophobicContact CG2-CZ 4.47Å; M849-F926 HydrophobicContact CE-CE1 4.13Å; M849-F926 HydrophobicContact SD-CE1 3.65Å; M849-F926 HydrophobicContact SD-CZ 4.1Å; I852-F926 HydrophobicContact CD1-CD1 3.89Å; I852-F926 HydrophobicContact CD1-CD2 3.98Å; I852-F926 HydrophobicContact CD1-CE1 3.49Å; I852-F926 VanDerWaalsContact CD1-CE1 3.49Å; I852-F926 HydrophobicContact CD1-CE2 3.61Å; I852-F926 HydrophobicContact CD1-CG 4.11Å; I852-F926 HydrophobicContact CD1-CZ 3.33Å; I890-F926 HydrophobicContact CD1-CB 4.47Å; I890-F926 HydrophobicContact CG1-CD2 4.36Å; I890-F926 HydrophobicContact CG2-CD2 4.29Å; L893-F926 HydrophobicContact CB-CE2 4.36Å; L893-F926 HydrophobicContact CD1-CE2 3.82Å; L893-F926 HydrophobicContact CD1-CZ 4.37Å; C906-F926 HydrophobicContact CB-CE1 4.17Å; C906-F926 WeakPolarHBondContact SG-CE1 3.35Å; C906-F926 WeakPolarHBondContact SG-CZ 3.36Å; M912-F926 HydrophobicContact CE-CD1 4.16Å; M912-F926 HydrophobicContact SD-CD1 4.2Å; T922-F926 PolarHBondContact O-N 2.97Å; T922-F926 VanDerWaalsContact O-N 3.08Å; F924-F926 VanDerWaalsContact C-N 3.26Å; F924-F926 PolarHBondContact O-N 3.04Å |
| 927 | H | 89.9 | Confident | 88.9 | Confident | 12 Ų | 12 | 35 Ų | 35 | 6% | 0.056 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -81.2 | -14.1 | -178 | -86.6 | 85.4 | 0 | 0 | 0 | 116 | L907 I909 M912 A923 F924 N929 L930 F931 | L907-H927 PolarHBondContact O-CE1 3.45Å; I909-H927 HydrophobicContact CD1-CB 4.44Å; I909-H927 PolarHBondContact N-NE2 2.89Å; M912-H927 VanDerWaalsContact SD-CE1 3.52Å; A923-H927 WeakPolarHBondContact O-CB 3.15Å; A923-H927 PolarHBondContact O-N 3.48Å; A923-H927 PolarHBondContact O-ND1 3.32Å; F924-H927 PolarHBondContact O-N 2.9Å; F924-H927 VanDerWaalsContact O-N 3.08Å; H927-N929 VanDerWaalsContact C-N 3.3Å; H927-N929 PolarHBondContact O-N 3.43Å; H927-L930 WeakPolarHBondContact O-CA 3.44Å; H927-L930 WeakPolarHBondContact O-CB 3.48Å; H927-L930 PolarHBondContact O-N 2.7Å; H927-F931 HydrophobicContact CB-CD2 4.23Å; H927-F931 HydrophobicContact CB-CE1 3.95Å; H927-F931 HydrophobicContact CB-CE2 3.54Å; H927-F931 HydrophobicContact CB-CZ 3.41Å; H927-F931 VanDerWaalsContact CB-CZ 3.41Å; H927-F931 WeakPolarHBondContact O-CD2 3.47Å; H927-F931 WeakPolarHBondContact O-CG 3.45Å; H927-F931 PolarHBondContact O-N 3.31Å |
| 928 | R | 89.4 | Confident | 88.9 | Confident | 9 Ų | 9 | 30.4 Ų | 30.4 | 3% | 0.034 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -47.8 | -50 | -178.4 | -80.6 | 157.6 | -167.3 | 178 | 7.9 | 112.5 | F924 L930 F931 E932 W998 Q1001 R1100 D1107 | F924-R928 WeakPolarHBondContact O-CG 3.28Å; F924-R928 PolarHBondContact O-N 2.91Å; R928-L930 VanDerWaalsContact C-N 3.33Å; R928-L930 PolarHBondContact O-N 2.9Å; R928-F931 WeakPolarHBondContact O-CB 3.49Å; R928-F931 PolarHBondContact O-N 2.86Å; R928-E932 WeakPolarHBondContact O-CG 3.45Å; R928-E932 PolarHBondContact O-N 3.22Å; R928-W998 PolarHBondContact NE-O 3.18Å; R928-Q1001 HydrophobicContact CG-CG 4.47Å; R928-R1100 VanDerWaalsContact NH2-NH2 3.13Å; R928-D1107 IonicContact CZ-OD1 3.14Å; R928-D1107 IonicContact NH1-OD1 2.7Å; R928-D1107 PolarHBondContact NH1-OD1 3.35Å; R928-D1107 IonicContact NH1-OD2 3.31Å; R928-D1107 IonicContact NH2-OD1 2.7Å; R928-D1107 PolarHBondContact NH2-OD1 3.33Å |
| 929 | N | 83.6 | Confident | 88.9 | Confident | 33 Ų | 33 | 31.4 Ų | 31.4 | 18% | 0.176 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.9 | -35.2 | 178.6 | -57.3 | -48.7 | 0 | 0 | 0 | 113.3 | S894 M902 H927 F931 Q933 | S894-N929 VanDerWaalsContact CB-ND2 3.29Å; S894-N929 WeakPolarHBondContact CB-ND2 3.13Å; S894-N929 PolarHBondContact OG-ND2 3.04Å; M902-N929 HydrophobicContact CE-CB 3.78Å; M902-N929 HydrophobicContact SD-CB 4Å; H927-N929 VanDerWaalsContact C-N 3.3Å; H927-N929 PolarHBondContact O-N 3.43Å; N929-F931 VanDerWaalsContact C-N 3.35Å; N929-Q933 VanDerWaalsContact O-CB 3.31Å; N929-Q933 WeakPolarHBondContact O-CB 3.18Å; N929-Q933 WeakPolarHBondContact O-CG 3.48Å; N929-Q933 PolarHBondContact O-N 3.45Å |
| 930 | L | 86.5 | Confident | 88.7 | Confident | 19 Ų | 19 | 33.8 Ų | 33.8 | 10% | 0.099 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.4 | -35.9 | 173.7 | -77.4 | 166.5 | 0 | 0 | 0 | 111.5 | M902 Q903 C906 H927 R928 K934 | M902-L930 HydrophobicContact CB-CD2 4.49Å; M902-L930 HydrophobicContact CE-CD2 3.81Å; M902-L930 HydrophobicContact CE-CG 3.78Å; M902-L930 HydrophobicContact CG-CD1 4.3Å; M902-L930 HydrophobicContact CG-CD2 3.99Å; M902-L930 HydrophobicContact CG-CG 3.97Å; M902-L930 HydrophobicContact SD-CD2 4.41Å; M902-L930 HydrophobicContact SD-CG 4Å; Q903-L930 HydrophobicContact CB-CD2 4.4Å; C906-L930 HydrophobicContact CB-CD1 3.88Å; H927-L930 WeakPolarHBondContact O-CA 3.44Å; H927-L930 WeakPolarHBondContact O-CB 3.48Å; H927-L930 PolarHBondContact O-N 2.7Å; R928-L930 VanDerWaalsContact C-N 3.33Å; R928-L930 PolarHBondContact O-N 2.9Å; L930-K934 WeakPolarHBondContact O-CB 3.44Å; L930-K934 WeakPolarHBondContact O-CG 3.45Å; L930-K934 PolarHBondContact O-N 2.91Å |
| 931 | F | 87.9 | Confident | 88.5 | Confident | 12 Ų | 12 | 36.8 Ų | 36.8 | 5% | 0.053 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.5 | -48.1 | 175.6 | -55 | -34.8 | 0 | 0 | 0 | 111.3 | I909 F924 H927 R928 N929 Q933 K934 V935 I973 | I909-F931 HydrophobicContact CD1-CZ 3.97Å; F924-F931 AromaticContact CD1-CE2 3.59Å; F924-F931 HydrophobicContact CD1-CE2 3.59Å; F924-F931 HydrophobicContact CD1-CZ 4.25Å; F924-F931 AromaticContact CE1-CE2 3.91Å; F924-F931 HydrophobicContact CE1-CE2 3.91Å; F924-F931 HydrophobicContact CE1-CZ 4.28Å; H927-F931 HydrophobicContact CB-CD2 4.23Å; H927-F931 HydrophobicContact CB-CE1 3.95Å; H927-F931 HydrophobicContact CB-CE2 3.54Å; H927-F931 HydrophobicContact CB-CZ 3.41Å; H927-F931 VanDerWaalsContact CB-CZ 3.41Å; H927-F931 WeakPolarHBondContact O-CD2 3.47Å; H927-F931 WeakPolarHBondContact O-CG 3.45Å; H927-F931 PolarHBondContact O-N 3.31Å; R928-F931 WeakPolarHBondContact O-CB 3.49Å; R928-F931 PolarHBondContact O-N 2.86Å; N929-F931 VanDerWaalsContact C-N 3.35Å; F931-Q933 VanDerWaalsContact C-N 3.29Å; F931-Q933 PolarHBondContact O-N 3.32Å; F931-K934 PolarHBondContact O-N 3.36Å; F931-V935 WeakPolarHBondContact O-CG2 3.2Å; F931-V935 PolarHBondContact O-N 2.74Å; F931-I973 HydrophobicContact CD1-CD1 3.43Å; F931-I973 VanDerWaalsContact CD1-CD1 3.43Å; F931-I973 HydrophobicContact CD1-CG1 4.33Å; F931-I973 HydrophobicContact CD2-CD1 4.48Å; F931-I973 HydrophobicContact CE1-CD1 3.26Å; F931-I973 HydrophobicContact CE1-CG1 3.8Å; F931-I973 HydrophobicContact CE2-CD1 4.35Å; F931-I973 HydrophobicContact CG-CD1 4.06Å; F931-I973 HydrophobicContact CZ-CD1 3.75Å; F931-I973 HydrophobicContact CZ-CG1 4.33Å |
| 932 | E | 85.1 | Confident | 88.2 | Confident | 71 Ų | 71 | 39.3 Ų | 39.3 | 33% | 0.332 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -54.6 | -45 | 174.3 | -70 | 170.2 | -136.9 | 0 | 0 | 111.3 | R928 V935 A936 Q1001 | R928-E932 WeakPolarHBondContact O-CG 3.45Å; R928-E932 PolarHBondContact O-N 3.22Å; E932-V935 PolarHBondContact O-N 3.31Å; E932-A936 WeakPolarHBondContact O-CB 3.35Å; E932-A936 PolarHBondContact O-N 3.45Å; E932-Q1001 PolarHBondContact OE1-NE2 3.39Å |
| 933 | Q | 84.5 | Confident | 87.8 | Confident | 51 Ų | 51 | 41.4 Ų | 41.4 | 24% | 0.238 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.2 | -38.5 | 178.1 | -70.9 | 169.3 | 25.4 | 0 | 0 | 113.5 | R899 M902 N929 F931 R937 | R899-Q933 HydrophobicContact CG-CG 4.36Å; M902-Q933 VanDerWaalsContact CE-NE2 3.25Å; M902-Q933 VanDerWaalsContact CE-OE1 3.28Å; N929-Q933 VanDerWaalsContact O-CB 3.31Å; N929-Q933 WeakPolarHBondContact O-CB 3.18Å; N929-Q933 WeakPolarHBondContact O-CG 3.48Å; N929-Q933 PolarHBondContact O-N 3.45Å; F931-Q933 VanDerWaalsContact C-N 3.29Å; F931-Q933 PolarHBondContact O-N 3.32Å; Q933-R937 WeakPolarHBondContact O-CB 3.38Å; Q933-R937 PolarHBondContact O-N 2.75Å |
| 934 | K | 87.5 | Confident | 87.2 | Confident | 90 Ų | 90 | 47.3 Ų | 47.3 | 39% | 0.391 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.1 | -43.9 | 172.7 | -82 | -176 | 169.7 | -159.8 | 0 | 111.7 | L930 F931 L938 V969 E972 | L930-K934 WeakPolarHBondContact O-CB 3.44Å; L930-K934 WeakPolarHBondContact O-CG 3.45Å; L930-K934 PolarHBondContact O-N 2.91Å; F931-K934 PolarHBondContact O-N 3.36Å; K934-L938 WeakPolarHBondContact O-CB 3.26Å; K934-L938 WeakPolarHBondContact O-CG 3.43Å; K934-L938 PolarHBondContact O-N 3.15Å; K934-V969 HydrophobicContact CB-CG1 4.18Å; K934-V969 HydrophobicContact CB-CG2 3.92Å; K934-V969 HydrophobicContact CD-CG1 4.26Å; K934-E972 IonicContact NZ-OE2 2.66Å; K934-E972 PolarHBondContact NZ-OE2 3.17Å |
| 935 | V | 90.4 | Very high | 86.6 | Confident | 17 Ų | 17 | 49.4 Ų | 49.4 | 10% | 0.103 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.4 | -46.9 | 177.3 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | F931 E932 R937 L938 F939 F962 A965 S966 V969 | F931-V935 WeakPolarHBondContact O-CG2 3.2Å; F931-V935 PolarHBondContact O-N 2.74Å; E932-V935 PolarHBondContact O-N 3.31Å; V935-R937 PolarHBondContact O-N 2.95Å; V935-L938 PolarHBondContact O-N 3.48Å; V935-F939 VanDerWaalsContact O-CB 3.23Å; V935-F939 WeakPolarHBondContact O-CB 3.31Å; V935-F939 PolarHBondContact O-N 3.09Å; V935-F962 HydrophobicContact CG1-CD2 4.26Å; V935-F962 HydrophobicContact CG1-CE2 3.76Å; V935-F962 HydrophobicContact CG1-CZ 4.11Å; V935-A965 HydrophobicContact CG1-CB 4.38Å; V935-S966 WeakPolarHBondContact CG1-OG 3.37Å; V935-V969 HydrophobicContact CG2-CB 3.96Å; V935-V969 HydrophobicContact CG2-CG1 4.31Å; V935-V969 HydrophobicContact CG2-CG2 3.75Å |
| 936 | A | 87.4 | Confident | 85.6 | Confident | 30 Ų | 30 | 51.6 Ų | 51.6 | 25% | 0.248 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.4 | -49.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | E932 L938 F939 E940 | E932-A936 WeakPolarHBondContact O-CB 3.35Å; E932-A936 PolarHBondContact O-N 3.45Å; A936-L938 PolarHBondContact O-N 2.95Å; A936-F939 WeakPolarHBondContact O-CB 3.34Å; A936-F939 PolarHBondContact O-N 3.17Å; A936-F939 VanDerWaalsContact O-N 3.15Å; A936-E940 WeakPolarHBondContact O-CB 3.29Å; A936-E940 VanDerWaalsContact O-CG 3.28Å; A936-E940 WeakPolarHBondContact O-CG 3.48Å; A936-E940 PolarHBondContact O-N 3.19Å |
| 937 | R | 86.8 | Confident | 84.8 | Confident | 161 Ų | 161 | 54.9 Ų | 54.9 | 61% | 0.608 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -61.7 | -38.9 | 179.3 | -173.6 | 177.3 | -177.4 | 164.3 | 3.5 | 113.1 | Q933 V935 S941 | Q933-R937 WeakPolarHBondContact O-CB 3.38Å; Q933-R937 PolarHBondContact O-N 2.75Å; V935-R937 PolarHBondContact O-N 2.95Å; R937-S941 WeakPolarHBondContact O-CB 3.29Å; R937-S941 PolarHBondContact O-N 3.05Å; R937-S941 VanDerWaalsContact O-N 3.13Å |
| 938 | L | 89.3 | Confident | 83.9 | Confident | 50 Ų | 50 | 62.3 Ų | 62.3 | 26% | 0.262 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -74.3 | -32.1 | 175.5 | -73.4 | 174.7 | 0 | 0 | 0 | 112.5 | K934 V935 A936 K942 A965 H968 V969 | K934-L938 WeakPolarHBondContact O-CB 3.26Å; K934-L938 WeakPolarHBondContact O-CG 3.43Å; K934-L938 PolarHBondContact O-N 3.15Å; V935-L938 PolarHBondContact O-N 3.48Å; A936-L938 PolarHBondContact O-N 2.95Å; L938-K942 WeakPolarHBondContact O-CB 3.5Å; L938-K942 VanDerWaalsContact O-CG 3.24Å; L938-K942 WeakPolarHBondContact O-CG 3.44Å; L938-K942 PolarHBondContact O-N 3.29Å; L938-K942 VanDerWaalsContact O-N 3.08Å; L938-A965 HydrophobicContact CB-CB 4.04Å; L938-H968 HydrophobicContact CD1-CB 4.48Å; L938-V969 HydrophobicContact CD1-CG2 3.67Å |
| 939 | F | 89.3 | Confident | 83 | Confident | 24 Ų | 24 | 69 Ų | 69 | 11% | 0.105 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67 | -55.1 | 173.4 | 173.3 | -101.4 | 0 | 0 | 0 | 110.8 | V935 A936 S941 K942 E943 T958 V961 F962 A965 | V935-F939 VanDerWaalsContact O-CB 3.23Å; V935-F939 WeakPolarHBondContact O-CB 3.31Å; V935-F939 PolarHBondContact O-N 3.09Å; A936-F939 WeakPolarHBondContact O-CB 3.34Å; A936-F939 PolarHBondContact O-N 3.17Å; A936-F939 VanDerWaalsContact O-N 3.15Å; F939-S941 VanDerWaalsContact C-N 3.32Å; F939-S941 PolarHBondContact O-N 3.26Å; F939-K942 PolarHBondContact O-N 2.86Å; F939-E943 VanDerWaalsContact O-CB 3.27Å; F939-E943 WeakPolarHBondContact O-CB 3.49Å; F939-E943 PolarHBondContact O-N 2.67Å; F939-T958 WeakPolarHBondContact CE2-O 3.42Å; F939-V961 HydrophobicContact CD2-CB 4.2Å; F939-V961 HydrophobicContact CD2-CG1 3.82Å; F939-V961 HydrophobicContact CE2-CB 4.12Å; F939-V961 HydrophobicContact CE2-CG1 4.12Å; F939-F962 HydrophobicContact CD2-CB 3.87Å; F939-F962 HydrophobicContact CD2-CD2 4.2Å; F939-F962 HydrophobicContact CE2-CB 4.07Å; F939-F962 HydrophobicContact CG-CD2 4.34Å; F939-A965 HydrophobicContact CB-CB 4.24Å |
| 940 | E | 87 | Confident | 81.9 | Confident | 84 Ų | 84 | 69.7 Ų | 69.7 | 39% | 0.393 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -52.4 | -47.8 | 176.1 | -71.3 | 165.2 | -162.6 | 0 | 0 | 111.6 | A936 E943 Q944 | A936-E940 WeakPolarHBondContact O-CB 3.29Å; A936-E940 VanDerWaalsContact O-CG 3.28Å; A936-E940 WeakPolarHBondContact O-CG 3.48Å; A936-E940 PolarHBondContact O-N 3.19Å; E940-E943 PolarHBondContact O-N 2.81Å; E940-Q944 WeakPolarHBondContact O-CB 3.16Å; E940-Q944 VanDerWaalsContact O-CG 3.24Å; E940-Q944 WeakPolarHBondContact O-CG 3.5Å; E940-Q944 PolarHBondContact O-N 3.18Å |
| 941 | S | 86.2 | Confident | 80.4 | Confident | 73 Ų | 73 | 75 Ų | 75 | 51% | 0.51 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.9 | -44.2 | -179.8 | 179.5 | 0 | 0 | 0 | 0 | 112.9 | R937 F939 A945 | R937-S941 WeakPolarHBondContact O-CB 3.29Å; R937-S941 PolarHBondContact O-N 3.05Å; R937-S941 VanDerWaalsContact O-N 3.13Å; F939-S941 VanDerWaalsContact C-N 3.32Å; F939-S941 PolarHBondContact O-N 3.26Å; S941-A945 VanDerWaalsContact O-CB 3.3Å; S941-A945 WeakPolarHBondContact O-CB 3.43Å; S941-A945 PolarHBondContact O-N 3.4Å |
| 942 | K | 84.8 | Confident | 79 | Confident | 69 Ų | 69 | 82.3 Ų | 82.3 | 30% | 0.3 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -70.7 | -38.7 | 176.8 | -72.3 | 177.7 | -176.9 | -173.2 | 0 | 112.1 | L938 F939 A945 E946 V961 A964 | L938-K942 WeakPolarHBondContact O-CB 3.5Å; L938-K942 VanDerWaalsContact O-CG 3.24Å; L938-K942 WeakPolarHBondContact O-CG 3.44Å; L938-K942 PolarHBondContact O-N 3.29Å; L938-K942 VanDerWaalsContact O-N 3.08Å; F939-K942 PolarHBondContact O-N 2.86Å; K942-A945 PolarHBondContact O-N 2.88Å; K942-E946 WeakPolarHBondContact O-CB 3.47Å; K942-E946 VanDerWaalsContact O-CG 3.31Å; K942-E946 WeakPolarHBondContact O-CG 3.33Å; K942-E946 PolarHBondContact O-N 3.14Å; K942-V961 HydrophobicContact CB-CG1 3.5Å; K942-V961 VanDerWaalsContact CB-CG1 3.5Å; K942-V961 HydrophobicContact CD-CG1 4.38Å; K942-A964 PolarHBondContact NZ-O 2.79Å |
| 943 | E | 82.4 | Confident | 77.7 | Confident | 45 Ų | 45 | 87 Ų | 87 | 21% | 0.21 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -62.4 | -47.5 | 176.6 | -177.4 | 175.3 | -137.3 | 0 | 0 | 110.7 | F939 E940 A945 E946 I947 T958 | F939-E943 VanDerWaalsContact O-CB 3.27Å; F939-E943 WeakPolarHBondContact O-CB 3.49Å; F939-E943 PolarHBondContact O-N 2.67Å; E940-E943 PolarHBondContact O-N 2.81Å; E943-A945 PolarHBondContact O-N 3.29Å; E943-E946 PolarHBondContact O-N 3Å; E943-I947 HydrophobicContact CG-CD1 3.73Å; E943-I947 HydrophobicContact CG-CG1 4.37Å; E943-I947 WeakPolarHBondContact O-CB 3.27Å; E943-I947 VanDerWaalsContact O-CG1 3.26Å; E943-I947 WeakPolarHBondContact O-CG1 3.4Å; E943-I947 PolarHBondContact O-N 3.05Å; E943-T958 WeakPolarHBondContact OE1-CG2 3.5Å |
| 944 | Q | 80.3 | Confident | 76.7 | Confident | 123 Ų | 123 | 87.4 Ų | 87.4 | 58% | 0.575 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -59.5 | -47.4 | 174.3 | -71.5 | 172.2 | 22.2 | 0 | 0 | 111.9 | E940 E946 I947 M948 | E940-Q944 WeakPolarHBondContact O-CB 3.16Å; E940-Q944 VanDerWaalsContact O-CG 3.24Å; E940-Q944 WeakPolarHBondContact O-CG 3.5Å; E940-Q944 PolarHBondContact O-N 3.18Å; Q944-E946 PolarHBondContact O-N 2.91Å; Q944-I947 PolarHBondContact O-N 3.14Å; Q944-M948 WeakPolarHBondContact O-CG 3.47Å; Q944-M948 PolarHBondContact O-N 3.15Å |
| 945 | A | 79.9 | Confident | 75.8 | Confident | 44 Ų | 44 | 91.8 Ų | 91.8 | 36% | 0.364 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.9 | -24.3 | -179 | 0 | 0 | 0 | 0 | 0 | 114.2 | S941 K942 E943 K949 | S941-A945 VanDerWaalsContact O-CB 3.3Å; S941-A945 WeakPolarHBondContact O-CB 3.43Å; S941-A945 PolarHBondContact O-N 3.4Å; K942-A945 PolarHBondContact O-N 2.88Å; E943-A945 PolarHBondContact O-N 3.29Å; A945-K949 WeakPolarHBondContact O-CE 3.3Å; A945-K949 WeakPolarHBondContact O-CG 3.45Å |
| 946 | E | 71 | Confident | 75 | Confident | 64 Ų | 64 | 94.8 Ų | 94.8 | 30% | 0.299 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -97.3 | -27.9 | 177.4 | -65.6 | -63.6 | 143.2 | 0 | 0 | 113 | K942 E943 Q944 M948 K949 S950 F957 | K942-E946 WeakPolarHBondContact O-CB 3.47Å; K942-E946 VanDerWaalsContact O-CG 3.31Å; K942-E946 WeakPolarHBondContact O-CG 3.33Å; K942-E946 PolarHBondContact O-N 3.14Å; E943-E946 PolarHBondContact O-N 3Å; Q944-E946 PolarHBondContact O-N 2.91Å; E946-M948 PolarHBondContact O-N 3.1Å; E946-K949 CarbonylContact O-C 3.58Å; E946-K949 WeakPolarHBondContact O-CA 3.48Å; E946-K949 PolarHBondContact O-N 3.39Å; E946-K949 IonicContact OE1-NZ 2.65Å; E946-K949 PolarHBondContact OE1-NZ 3.19Å; E946-K949 WeakPolarHBondContact OE2-CD 3.23Å; E946-K949 IonicContact OE2-NZ 3.87Å; E946-S950 PolarHBondContact O-N 3.18Å; E946-S950 PolarHBondContact O-OG 3.47Å; E946-F957 HydrophobicContact CB-CE1 4.1Å; E946-F957 HydrophobicContact CB-CE2 4.17Å; E946-F957 HydrophobicContact CB-CZ 3.35Å; E946-F957 HydrophobicContact CG-CE2 4.34Å; E946-F957 HydrophobicContact CG-CZ 3.77Å |
| 947 | I | 72 | Confident | 74.7 | Confident | 72 Ų | 72 | 96.1 Ų | 96.1 | 37% | 0.369 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.2 | -34.8 | 164.9 | -73.5 | 169.3 | 0 | 0 | 0 | 110.2 | E943 Q944 K949 | E943-I947 HydrophobicContact CG-CD1 3.73Å; E943-I947 HydrophobicContact CG-CG1 4.37Å; E943-I947 WeakPolarHBondContact O-CB 3.27Å; E943-I947 VanDerWaalsContact O-CG1 3.26Å; E943-I947 WeakPolarHBondContact O-CG1 3.4Å; E943-I947 PolarHBondContact O-N 3.05Å; Q944-I947 PolarHBondContact O-N 3.14Å; I947-K949 PolarHBondContact O-N 3.24Å |
| 948 | M | 69.7 | Low | 74.6 | Confident | 167 Ų | 167 | 89.3 Ų | 89.3 | 82% | 0.823 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -10.4 | 172.2 | -69 | -179.8 | 76.9 | 0 | 0 | 114.2 | Q944 E946 | Q944-M948 WeakPolarHBondContact O-CG 3.47Å; Q944-M948 PolarHBondContact O-N 3.15Å; E946-M948 PolarHBondContact O-N 3.1Å |
| 949 | K | 70.6 | Confident | 74.6 | Confident | 150 Ų | 150 | 90.5 Ų | 90.5 | 65% | 0.652 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.7 | -22.8 | 177.1 | -61.9 | 173.2 | -163.6 | 169.9 | 0 | 113.6 | A945 E946 I947 | A945-K949 WeakPolarHBondContact O-CE 3.3Å; A945-K949 WeakPolarHBondContact O-CG 3.45Å; E946-K949 CarbonylContact O-C 3.58Å; E946-K949 WeakPolarHBondContact O-CA 3.48Å; E946-K949 PolarHBondContact O-N 3.39Å; E946-K949 IonicContact OE1-NZ 2.65Å; E946-K949 PolarHBondContact OE1-NZ 3.19Å; E946-K949 WeakPolarHBondContact OE2-CD 3.23Å; E946-K949 IonicContact OE2-NZ 3.87Å; I947-K949 PolarHBondContact O-N 3.24Å |
| 950 | S | 61.1 | Low | 74.5 | Confident | 48 Ų | 48 | 93.6 Ų | 93.6 | 34% | 0.336 | 49% | 0.488 | S | S | . | . | trans | -142.8 | 123.6 | -170.3 | 62.9 | 0 | 0 | 0 | 0 | 111.1 | E946 E952 | E946-S950 PolarHBondContact O-N 3.18Å; E946-S950 PolarHBondContact O-OG 3.47Å; S950-E952 VanDerWaalsContact C-N 3.26Å; S950-E952 PolarHBondContact O-N 2.98Å | ||
| 951 | S | 56.1 | Low | 74.6 | Confident | 129 Ų | 129 | 90.2 Ų | 90.2 | 90% | 0.902 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -81.3 | 4.2 | -170.3 | -168.1 | 0 | 0 | 0 | 0 | 114.7 | ||
| 952 | E | 56.6 | Low | 74.8 | Confident | 167 Ų | 167 | 87.4 Ų | 87.4 | 78% | 0.78 | 45% | 0.452 | S | S | * | . | trans | -120.7 | 113.7 | -170.1 | -66.4 | -164.7 | 148.3 | 0 | 0 | 113.1 | S950 S954 | S950-E952 VanDerWaalsContact C-N 3.26Å; S950-E952 PolarHBondContact O-N 2.98Å; E952-S954 PolarHBondContact O-N 3.09Å | ||
| 953 | K | 57.8 | Low | 75.1 | Confident | 168 Ų | 168 | 84.6 Ų | 84.6 | 73% | 0.73 | 44% | 0.441 | S | S | * | . | trans | -77.6 | 78.3 | 175.6 | -67.9 | -167.8 | 175 | -164.9 | 0 | 112.2 | ||||
| 954 | S | 63.5 | Low | 75.5 | Confident | 61 Ų | 61 | 84.8 Ų | 84.8 | 43% | 0.427 | 45% | 0.45 | S | S | . | . | trans | -76.3 | 131.2 | 173.5 | 179.1 | 0 | 0 | 0 | 0 | 112.6 | E952 S956 F957 T958 | E952-S954 PolarHBondContact O-N 3.09Å; S954-S956 PolarHBondContact O-N 2.89Å; S954-S956 VanDerWaalsContact O-N 3.1Å; S954-S956 PolarHBondContact OG-N 3.44Å; S954-F957 WeakPolarHBondContact O-CB 3.39Å; S954-F957 PolarHBondContact O-N 3.09Å; S954-T958 PolarHBondContact O-N 2.95Å | ||
| 955 | K | 68.9 | Low | 76.1 | Confident | 181 Ų | 181 | 78.9 Ų | 78.9 | 79% | 0.787 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -64.1 | -11 | 173.8 | -68.2 | -169 | 177 | -171.1 | 0 | 114.3 | ||
| 956 | S | 74.5 | Confident | 76.7 | Confident | 81 Ų | 81 | 77 Ų | 77 | 57% | 0.566 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -84.5 | -31.6 | 171 | -164.8 | 0 | 0 | 0 | 0 | 112 | S954 T960 | S954-S956 PolarHBondContact O-N 2.89Å; S954-S956 VanDerWaalsContact O-N 3.1Å; S954-S956 PolarHBondContact OG-N 3.44Å; S956-T960 PolarHBondContact O-N 3.06Å; S956-T960 PolarHBondContact O-OG1 3.19Å; S956-T960 VanDerWaalsContact O-OG1 3.06Å |
| 957 | F | 81.3 | Confident | 77.7 | Confident | 58 Ų | 58 | 76.3 Ų | 76.3 | 25% | 0.254 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -69.5 | -47.4 | -177.5 | 172.2 | -97.8 | 0 | 0 | 0 | 111.7 | E946 S954 K959 T960 V961 | E946-F957 HydrophobicContact CB-CE1 4.1Å; E946-F957 HydrophobicContact CB-CE2 4.17Å; E946-F957 HydrophobicContact CB-CZ 3.35Å; E946-F957 HydrophobicContact CG-CE2 4.34Å; E946-F957 HydrophobicContact CG-CZ 3.77Å; S954-F957 WeakPolarHBondContact O-CB 3.39Å; S954-F957 PolarHBondContact O-N 3.09Å; F957-K959 VanDerWaalsContact C-N 3.26Å; F957-K959 PolarHBondContact O-N 3.36Å; F957-T960 WeakPolarHBondContact O-CB 3.32Å; F957-T960 PolarHBondContact O-N 3.03Å; F957-V961 HydrophobicContact CD1-CG2 4.18Å; F957-V961 HydrophobicContact CD2-CG2 4.28Å; F957-V961 HydrophobicContact CE1-CG2 3.53Å; F957-V961 HydrophobicContact CE2-CG2 3.64Å; F957-V961 HydrophobicContact CG-CG2 4.49Å; F957-V961 HydrophobicContact CZ-CG2 3.19Å; F957-V961 PolarHBondContact O-N 3.26Å |
| 958 | T | 84.4 | Confident | 78.6 | Confident | 18 Ų | 18 | 77.2 Ų | 77.2 | 11% | 0.11 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -57 | -40 | 178.2 | 60.1 | 0 | 0 | 0 | 0 | 112.1 | F939 E943 S954 T960 V961 F962 | F939-T958 WeakPolarHBondContact CE2-O 3.42Å; E943-T958 WeakPolarHBondContact OE1-CG2 3.5Å; S954-T958 PolarHBondContact O-N 2.95Å; T958-T960 PolarHBondContact O-N 3.47Å; T958-V961 PolarHBondContact O-N 3.28Å; T958-F962 WeakPolarHBondContact O-CB 3.45Å; T958-F962 PolarHBondContact O-N 3.34Å |
| 959 | K | 88.1 | Confident | 79.6 | Confident | 75 Ų | 75 | 69.3 Ų | 69.3 | 33% | 0.326 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61 | -42.3 | 174.4 | -66.9 | -179.8 | 176.7 | -165 | 0 | 112.5 | F957 F962 S963 R1065 A1068 | F957-K959 VanDerWaalsContact C-N 3.26Å; F957-K959 PolarHBondContact O-N 3.36Å; K959-F962 PolarHBondContact O-N 3.49Å; K959-S963 PolarHBondContact O-N 3.25Å; K959-S963 PolarHBondContact O-OG 3.28Å; K959-R1065 HydrophobicContact CG-CG 4.3Å; K959-A1068 HydrophobicContact CB-CB 3.87Å; K959-A1068 HydrophobicContact CD-CB 3.92Å; K959-A1068 HydrophobicContact CG-CB 4.11Å |
| 960 | T | 87.9 | Confident | 80.7 | Confident | 88 Ų | 88 | 62.4 Ų | 62.4 | 54% | 0.54 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67.9 | -42.8 | 179 | -54.6 | 0 | 0 | 0 | 0 | 111.7 | S956 F957 T958 S963 A964 | S956-T960 PolarHBondContact O-N 3.06Å; S956-T960 PolarHBondContact O-OG1 3.19Å; S956-T960 VanDerWaalsContact O-OG1 3.06Å; F957-T960 WeakPolarHBondContact O-CB 3.32Å; F957-T960 PolarHBondContact O-N 3.03Å; T958-T960 PolarHBondContact O-N 3.47Å; T960-S963 PolarHBondContact O-N 3.03Å; T960-A964 WeakPolarHBondContact O-CB 3.29Å; T960-A964 PolarHBondContact O-N 3.18Å |
| 961 | V | 89.6 | Confident | 82.2 | Confident | 13 Ų | 13 | 63.8 Ų | 63.8 | 8% | 0.079 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 175.2 | 179.1 | 0 | 0 | 0 | 0 | 111.3 | F939 K942 F957 T958 A964 A965 | F939-V961 HydrophobicContact CD2-CB 4.2Å; F939-V961 HydrophobicContact CD2-CG1 3.82Å; F939-V961 HydrophobicContact CE2-CB 4.12Å; F939-V961 HydrophobicContact CE2-CG1 4.12Å; K942-V961 HydrophobicContact CB-CG1 3.5Å; K942-V961 VanDerWaalsContact CB-CG1 3.5Å; K942-V961 HydrophobicContact CD-CG1 4.38Å; F957-V961 HydrophobicContact CD1-CG2 4.18Å; F957-V961 HydrophobicContact CD2-CG2 4.28Å; F957-V961 HydrophobicContact CE1-CG2 3.53Å; F957-V961 HydrophobicContact CE2-CG2 3.64Å; F957-V961 HydrophobicContact CG-CG2 4.49Å; F957-V961 HydrophobicContact CZ-CG2 3.19Å; F957-V961 PolarHBondContact O-N 3.26Å; T958-V961 PolarHBondContact O-N 3.28Å; V961-A964 CarbonylContact O-C 3.38Å; V961-A964 PolarHBondContact O-N 2.97Å; V961-A965 PolarHBondContact O-N 3.43Å |
| 962 | F | 90.9 | Very high | 83.8 | Confident | 15 Ų | 15 | 61.4 Ų | 61.4 | 7% | 0.066 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.1 | -48.4 | 176.3 | -174.3 | -92.6 | 0 | 0 | 0 | 111.5 | V935 F939 T958 K959 A964 A965 S966 R1065 V1066 W1069 | V935-F962 HydrophobicContact CG1-CD2 4.26Å; V935-F962 HydrophobicContact CG1-CE2 3.76Å; V935-F962 HydrophobicContact CG1-CZ 4.11Å; F939-F962 HydrophobicContact CD2-CB 3.87Å; F939-F962 HydrophobicContact CD2-CD2 4.2Å; F939-F962 HydrophobicContact CE2-CB 4.07Å; F939-F962 HydrophobicContact CG-CD2 4.34Å; T958-F962 WeakPolarHBondContact O-CB 3.45Å; T958-F962 PolarHBondContact O-N 3.34Å; K959-F962 PolarHBondContact O-N 3.49Å; F962-A964 VanDerWaalsContact C-N 3.27Å; F962-A964 PolarHBondContact O-N 2.97Å; F962-A965 PolarHBondContact O-N 3.49Å; F962-S966 WeakPolarHBondContact CE1-OG 3.34Å; F962-S966 PolarHBondContact O-N 2.93Å; F962-S966 PolarHBondContact O-OG 3.19Å; F962-R1065 HydrophobicContact CB-CB 4.27Å; F962-R1065 HydrophobicContact CD1-CB 3.74Å; F962-R1065 HydrophobicContact CD2-CB 4.32Å; F962-R1065 HydrophobicContact CE1-CB 4.11Å; F962-R1065 HydrophobicContact CG-CB 3.85Å; F962-R1065 HydrophobicContact CG-CG 4.5Å; F962-V1066 HydrophobicContact CE1-CG2 3.91Å; F962-V1066 HydrophobicContact CZ-CG2 4.01Å; F962-W1069 HydrophobicContact CD1-CB 4.39Å |
| 963 | S | 90.8 | Very high | 85.4 | Confident | 10 Ų | 10 | 53.8 Ų | 53.8 | 7% | 0.07 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -53.8 | -43.5 | 173.6 | -58.8 | 0 | 0 | 0 | 0 | 112.3 | K959 T960 A965 L967 W1069 | K959-S963 PolarHBondContact O-N 3.25Å; K959-S963 PolarHBondContact O-OG 3.28Å; T960-S963 PolarHBondContact O-N 3.03Å; S963-A965 VanDerWaalsContact C-N 3.32Å; S963-A965 PolarHBondContact O-N 3.29Å; S963-L967 VanDerWaalsContact O-CB 3.23Å; S963-L967 WeakPolarHBondContact O-CB 3.26Å; S963-L967 PolarHBondContact O-N 3.07Å; S963-W1069 WeakPolarHBondContact OG-CA 3.24Å; S963-W1069 PolarHBondContact OG-N 2.81Å |
| 964 | A | 90.4 | Very high | 87 | Confident | 48 Ų | 48 | 46 Ų | 46 | 40% | 0.397 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -77.1 | -10.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | K942 T960 V961 F962 | K942-A964 PolarHBondContact NZ-O 2.79Å; T960-A964 WeakPolarHBondContact O-CB 3.29Å; T960-A964 PolarHBondContact O-N 3.18Å; V961-A964 CarbonylContact O-C 3.38Å; V961-A964 PolarHBondContact O-N 2.97Å; F962-A964 VanDerWaalsContact C-N 3.27Å; F962-A964 PolarHBondContact O-N 2.97Å |
| 965 | A | 92.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -88 | -50.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | V935 L938 F939 V961 F962 S963 L967 H968 V969 | V935-A965 HydrophobicContact CG1-CB 4.38Å; L938-A965 HydrophobicContact CB-CB 4.04Å; F939-A965 HydrophobicContact CB-CB 4.24Å; V961-A965 PolarHBondContact O-N 3.43Å; F962-A965 PolarHBondContact O-N 3.49Å; S963-A965 VanDerWaalsContact C-N 3.32Å; S963-A965 PolarHBondContact O-N 3.29Å; A965-L967 PolarHBondContact O-N 2.97Å; A965-H968 WeakPolarHBondContact O-CB 3.25Å; A965-H968 PolarHBondContact O-N 3.23Å; A965-H968 VanDerWaalsContact O-N 3.12Å; A965-V969 PolarHBondContact O-N 3.28Å |
| 966 | S | 92.5 | Very high | 89.3 | Confident | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.1 | -48.1 | 177.4 | -56.5 | 0 | 0 | 0 | 0 | 112.3 | V935 F962 H968 V969 C970 W1069 | V935-S966 WeakPolarHBondContact CG1-OG 3.37Å; F962-S966 WeakPolarHBondContact CE1-OG 3.34Å; F962-S966 PolarHBondContact O-N 2.93Å; F962-S966 PolarHBondContact O-OG 3.19Å; S966-H968 PolarHBondContact O-N 3.21Å; S966-V969 PolarHBondContact O-N 2.83Å; S966-C970 PolarHBondContact O-N 3.48Å; S966-C970 PolarHBondContact O-SG 2.72Å; S966-W1069 VanDerWaalsContact CB-CD2 3.45Å; S966-W1069 VanDerWaalsContact CB-CE2 3.44Å |
| 967 | L | 91.7 | Very high | 90 | Very high | 50 Ų | 50 | 35.4 Ų | 35.4 | 26% | 0.262 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.1 | -28.8 | 177.6 | -175.5 | 57.9 | 0 | 0 | 0 | 113 | S963 A965 N971 V992 E1073 | S963-L967 VanDerWaalsContact O-CB 3.23Å; S963-L967 WeakPolarHBondContact O-CB 3.26Å; S963-L967 PolarHBondContact O-N 3.07Å; A965-L967 PolarHBondContact O-N 2.97Å; L967-N971 WeakPolarHBondContact CD1-ND2 3.07Å; L967-N971 WeakPolarHBondContact O-CB 3.48Å; L967-N971 PolarHBondContact O-N 2.82Å; L967-N971 VanDerWaalsContact O-N 3.12Å; L967-N971 PolarHBondContact O-ND2 3.33Å; L967-V992 HydrophobicContact CD1-CG1 4.19Å; L967-E1073 HydrophobicContact CD1-CG 4.36Å |
| 968 | H | 92 | Very high | 90.5 | Very high | 91 Ų | 91 | 40 Ų | 40 | 42% | 0.421 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67 | -51.5 | 174.7 | -169 | -81.4 | 0 | 0 | 0 | 110.7 | L938 A965 S966 C970 N971 E972 | L938-H968 HydrophobicContact CD1-CB 4.48Å; A965-H968 WeakPolarHBondContact O-CB 3.25Å; A965-H968 PolarHBondContact O-N 3.23Å; A965-H968 VanDerWaalsContact O-N 3.12Å; S966-H968 PolarHBondContact O-N 3.21Å; H968-C970 PolarHBondContact O-N 3.06Å; H968-N971 PolarHBondContact O-N 3.35Å; H968-N971 VanDerWaalsContact O-N 3.13Å; H968-E972 IonicContact CE1-OE1 2.71Å; H968-E972 PolarHBondContact CE1-OE1 2.95Å; H968-E972 IonicContact ND1-OE1 2.96Å; H968-E972 PolarHBondContact ND1-OE1 3.27Å; H968-E972 PolarHBondContact O-N 3.01Å |
| 969 | V | 91.5 | Very high | 90.8 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.012 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.6 | -42.6 | 178.9 | 179.1 | 0 | 0 | 0 | 0 | 111 | K934 V935 L938 A965 S966 N971 E972 I973 | K934-V969 HydrophobicContact CB-CG1 4.18Å; K934-V969 HydrophobicContact CB-CG2 3.92Å; K934-V969 HydrophobicContact CD-CG1 4.26Å; V935-V969 HydrophobicContact CG2-CB 3.96Å; V935-V969 HydrophobicContact CG2-CG1 4.31Å; V935-V969 HydrophobicContact CG2-CG2 3.75Å; L938-V969 HydrophobicContact CD1-CG2 3.67Å; A965-V969 PolarHBondContact O-N 3.28Å; S966-V969 PolarHBondContact O-N 2.83Å; V969-N971 VanDerWaalsContact C-N 3.3Å; V969-N971 PolarHBondContact O-N 3.23Å; V969-E972 PolarHBondContact O-N 3.44Å; V969-I973 HydrophobicContact CG1-CD1 3.79Å; V969-I973 WeakPolarHBondContact O-CD1 3.44Å; V969-I973 VanDerWaalsContact O-CG1 3.27Å; V969-I973 WeakPolarHBondContact O-CG1 3.46Å; V969-I973 PolarHBondContact O-N 2.59Å; V969-I973 VanDerWaalsContact O-N 3.12Å |
| 970 | C | 92.1 | Very high | 90.8 | Very high | 5 Ų | 5 | 43.4 Ų | 43.4 | 3% | 0.034 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.5 | -34.3 | 175.8 | -66.8 | 0 | 0 | 0 | 0 | 112.9 | S966 H968 A974 V992 I995 W1069 | S966-C970 PolarHBondContact O-N 3.48Å; S966-C970 PolarHBondContact O-SG 2.72Å; H968-C970 PolarHBondContact O-N 3.06Å; C970-A974 VanDerWaalsContact O-CB 3.3Å; C970-A974 WeakPolarHBondContact O-CB 3.4Å; C970-A974 PolarHBondContact O-N 3.46Å; C970-V992 HydrophobicContact CB-CG1 4.48Å; C970-I995 HydrophobicContact CB-CG2 4.09Å; C970-W1069 VanDerWaalsContact SG-CZ2 3.57Å |
| 971 | N | 92.5 | Very high | 90.9 | Very high | 77 Ų | 77 | 42 Ų | 42 | 41% | 0.412 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -75.5 | -34.5 | 176.6 | -81.4 | -61 | 0 | 0 | 0 | 113.4 | L967 H968 V969 I973 A974 A975 | L967-N971 WeakPolarHBondContact CD1-ND2 3.07Å; L967-N971 WeakPolarHBondContact O-CB 3.48Å; L967-N971 PolarHBondContact O-N 2.82Å; L967-N971 VanDerWaalsContact O-N 3.12Å; L967-N971 PolarHBondContact O-ND2 3.33Å; H968-N971 PolarHBondContact O-N 3.35Å; H968-N971 VanDerWaalsContact O-N 3.13Å; V969-N971 VanDerWaalsContact C-N 3.3Å; V969-N971 PolarHBondContact O-N 3.23Å; N971-I973 VanDerWaalsContact C-N 3.35Å; N971-A974 PolarHBondContact O-N 3.48Å; N971-A975 PolarHBondContact O-N 3.22Å |
| 972 | E | 90.9 | Very high | 90.9 | Very high | 78 Ų | 78 | 45.9 Ų | 45.9 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -56.6 | -50.2 | 168.8 | -72.1 | 174.7 | -161.6 | 0 | 0 | 110.7 | K934 H968 V969 A974 A975 A976 | K934-E972 IonicContact NZ-OE2 2.66Å; K934-E972 PolarHBondContact NZ-OE2 3.17Å; H968-E972 IonicContact CE1-OE1 2.71Å; H968-E972 PolarHBondContact CE1-OE1 2.95Å; H968-E972 IonicContact ND1-OE1 2.96Å; H968-E972 PolarHBondContact ND1-OE1 3.27Å; H968-E972 PolarHBondContact O-N 3.01Å; V969-E972 PolarHBondContact O-N 3.44Å; E972-A974 VanDerWaalsContact C-N 3.3Å; E972-A974 PolarHBondContact O-N 3.44Å; E972-A975 PolarHBondContact O-N 3.04Å; E972-A976 PolarHBondContact O-N 3.47Å |
| 973 | I | 90.2 | Very high | 90.7 | Very high | 7 Ų | 7 | 48.5 Ų | 48.5 | 4% | 0.036 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.3 | -34.5 | 179.6 | -58.6 | 157.6 | 0 | 0 | 0 | 110.6 | I909 F924 F931 V969 N971 A976 I977 I995 | I909-I973 HydrophobicContact CG2-CG2 4.47Å; F924-I973 HydrophobicContact CZ-CG2 4.5Å; F931-I973 HydrophobicContact CD1-CD1 3.43Å; F931-I973 VanDerWaalsContact CD1-CD1 3.43Å; F931-I973 HydrophobicContact CD1-CG1 4.33Å; F931-I973 HydrophobicContact CD2-CD1 4.48Å; F931-I973 HydrophobicContact CE1-CD1 3.26Å; F931-I973 HydrophobicContact CE1-CG1 3.8Å; F931-I973 HydrophobicContact CE2-CD1 4.35Å; F931-I973 HydrophobicContact CG-CD1 4.06Å; F931-I973 HydrophobicContact CZ-CD1 3.75Å; F931-I973 HydrophobicContact CZ-CG1 4.33Å; V969-I973 HydrophobicContact CG1-CD1 3.79Å; V969-I973 WeakPolarHBondContact O-CD1 3.44Å; V969-I973 VanDerWaalsContact O-CG1 3.27Å; V969-I973 WeakPolarHBondContact O-CG1 3.46Å; V969-I973 PolarHBondContact O-N 2.59Å; V969-I973 VanDerWaalsContact O-N 3.12Å; N971-I973 VanDerWaalsContact C-N 3.35Å; I973-A976 PolarHBondContact O-N 3.44Å; I973-I977 HydrophobicContact CG2-CD1 3.55Å; I973-I977 HydrophobicContact CG2-CG1 4.11Å; I973-I977 WeakPolarHBondContact O-CB 3.17Å; I973-I977 PolarHBondContact O-N 3.27Å; I973-I995 HydrophobicContact CB-CD1 4.01Å; I973-I995 HydrophobicContact CB-CG2 4.23Å; I973-I995 HydrophobicContact CD1-CG2 4.19Å; I973-I995 HydrophobicContact CG2-CD1 3.74Å; I973-I995 HydrophobicContact CG2-CG1 3.97Å; I973-I995 HydrophobicContact CG2-CG2 4.1Å |
| 974 | A | 91.5 | Very high | 90.6 | Very high | 4 Ų | 4 | 52.7 Ų | 52.7 | 3% | 0.033 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.1 | -38.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | C970 N971 E972 A976 R978 I991 I995 | C970-A974 VanDerWaalsContact O-CB 3.3Å; C970-A974 WeakPolarHBondContact O-CB 3.4Å; C970-A974 PolarHBondContact O-N 3.46Å; N971-A974 PolarHBondContact O-N 3.48Å; E972-A974 VanDerWaalsContact C-N 3.3Å; E972-A974 PolarHBondContact O-N 3.44Å; A974-A976 VanDerWaalsContact C-N 3.31Å; A974-A976 PolarHBondContact O-N 3.25Å; A974-R978 WeakPolarHBondContact O-CB 3.44Å; A974-R978 PolarHBondContact O-N 3.13Å; A974-I991 HydrophobicContact CB-CD1 4.12Å; A974-I991 HydrophobicContact CB-CG1 4.1Å; A974-I991 HydrophobicContact CB-CG2 4.09Å; A974-I991 VanDerWaalsContact O-CD1 3.24Å; A974-I991 WeakPolarHBondContact O-CD1 3.32Å; A974-I995 HydrophobicContact CB-CD1 3.67Å; A974-I995 VanDerWaalsContact N-CD1 3.26Å |
| 975 | A | 91.5 | Very high | 90.5 | Very high | 71 Ų | 71 | 51.2 Ų | 51.2 | 59% | 0.587 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -62.2 | -41.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | N971 E972 | N971-A975 PolarHBondContact O-N 3.22Å; E972-A975 PolarHBondContact O-N 3.04Å |
| 976 | A | 88.9 | Confident | 90.3 | Very high | 31 Ų | 31 | 52.4 Ų | 52.4 | 26% | 0.256 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -71.3 | -39.8 | -179 | 0 | 0 | 0 | 0 | 0 | 113.9 | D910 E972 I973 A974 P979 | D910-A976 HydrophobicContact CB-CB 4.17Å; E972-A976 PolarHBondContact O-N 3.47Å; I973-A976 PolarHBondContact O-N 3.44Å; A974-A976 VanDerWaalsContact C-N 3.31Å; A974-A976 PolarHBondContact O-N 3.25Å; A976-P979 WeakPolarHBondContact O-CD 3.41Å |
| 977 | I | 90 | Very high | 90 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -88.4 | -22.3 | -175.7 | -66.7 | -178 | 0 | 0 | 0 | 113.1 | I909 M913 F924 I973 P979 L980 Y981 W986 F994 | I909-I977 HydrophobicContact CD1-CD1 4.17Å; I909-I977 HydrophobicContact CG1-CD1 4.4Å; I909-I977 HydrophobicContact CG2-CD1 4.37Å; I909-I977 HydrophobicContact CG2-CG1 4.41Å; M913-I977 HydrophobicContact SD-CD1 4.27Å; F924-I977 HydrophobicContact CE2-CD1 3.67Å; F924-I977 HydrophobicContact CZ-CD1 3.44Å; F924-I977 VanDerWaalsContact CZ-CD1 3.44Å; I973-I977 HydrophobicContact CG2-CD1 3.55Å; I973-I977 HydrophobicContact CG2-CG1 4.11Å; I973-I977 WeakPolarHBondContact O-CB 3.17Å; I973-I977 PolarHBondContact O-N 3.27Å; I977-P979 VanDerWaalsContact C-CD 3.42Å; I977-L980 HydrophobicContact CB-CD1 4.49Å; I977-L980 HydrophobicContact CG1-CD1 4.38Å; I977-L980 HydrophobicContact CG2-CD1 4.41Å; I977-L980 WeakPolarHBondContact O-CB 3.46Å; I977-L980 PolarHBondContact O-N 2.76Å; I977-Y981 HydrophobicContact CG2-CD2 4.35Å; I977-Y981 HydrophobicContact CG2-CE2 4.3Å; I977-W986 HydrophobicContact CG2-CH2 3.87Å; I977-W986 HydrophobicContact CG2-CZ2 3.94Å; I977-F994 HydrophobicContact CG2-CE1 4.49Å |
| 978 | R | 91.9 | Very high | 89.7 | Confident | 154 Ų | 154 | 53.7 Ų | 53.7 | 58% | 0.581 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -45.9 | -45.5 | 179.8 | 175.8 | 173.3 | -74 | 166.4 | -2.2 | 115.5 | A974 L980 W986 I991 | A974-R978 WeakPolarHBondContact O-CB 3.44Å; A974-R978 PolarHBondContact O-N 3.13Å; R978-L980 VanDerWaalsContact C-N 3.28Å; R978-L980 PolarHBondContact O-N 3.21Å; R978-W986 PolarHBondContact O-NE1 3.42Å; R978-I991 HydrophobicContact CB-CD1 3.82Å |
| 979 | P | 90.7 | Very high | 89.4 | Confident | 104 Ų | 104 | 49.4 Ų | 49.4 | 68% | 0.675 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -72.9 | -13.5 | -178.7 | 29 | -36.3 | 0 | 0 | 0 | 114.7 | A976 I977 | A976-P979 WeakPolarHBondContact O-CD 3.41Å; I977-P979 VanDerWaalsContact C-CD 3.42Å |
| 980 | L | 87.9 | Confident | 89.3 | Confident | 61 Ų | 61 | 50.3 Ų | 50.3 | 32% | 0.319 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -79.7 | -17.9 | -171.7 | -57.4 | 178.7 | 0 | 0 | 0 | 114.3 | M913 I977 R978 | M913-L980 HydrophobicContact CB-CD1 3.64Å; M913-L980 HydrophobicContact CE-CD1 4.3Å; M913-L980 HydrophobicContact SD-CD1 4.35Å; I977-L980 HydrophobicContact CB-CD1 4.49Å; I977-L980 HydrophobicContact CG1-CD1 4.38Å; I977-L980 HydrophobicContact CG2-CD1 4.41Å; I977-L980 WeakPolarHBondContact O-CB 3.46Å; I977-L980 PolarHBondContact O-N 2.76Å; R978-L980 VanDerWaalsContact C-N 3.28Å; R978-L980 PolarHBondContact O-N 3.21Å |
| 981 | Y | 88.9 | Confident | 89.2 | Confident | 59 Ų | 59 | 50.7 Ų | 50.7 | 23% | 0.231 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -127.4 | 148.8 | -179.9 | -65.9 | -98.4 | 0 | 0 | 0 | 110.9 | M913 I977 A983 W986 | M913-Y981 HydrophobicContact CE-CE2 3.87Å; I977-Y981 HydrophobicContact CG2-CD2 4.35Å; I977-Y981 HydrophobicContact CG2-CE2 4.3Å; Y981-A983 PolarHBondContact O-N 3.13Å; Y981-W986 AromaticContact CD2-CH2 3.63Å; Y981-W986 HydrophobicContact CD2-CH2 3.63Å; Y981-W986 AromaticContact CD2-CZ2 3.52Å; Y981-W986 HydrophobicContact CD2-CZ2 3.52Å; Y981-W986 HydrophobicContact CE2-CH2 4.24Å; Y981-W986 HydrophobicContact CE2-CZ2 4.48Å; Y981-W986 HydrophobicContact CG-CH2 4.08Å; Y981-W986 AromaticContact CG-CZ2 3.9Å; Y981-W986 HydrophobicContact CG-CZ2 3.9Å |
| 982 | P | 90.2 | Very high | 89.2 | Confident | 94 Ų | 94 | 48.3 Ų | 48.3 | 61% | 0.61 | 27% | 0.272 | S | S | * | . | trans | -57 | 136.7 | 176.7 | -23.9 | 33.7 | 0 | 0 | 0 | 111.9 | R984 V985 | P982-R984 PolarHBondContact O-N 3.02Å; P982-V985 VanDerWaalsContact O-CB 3.32Å; P982-V985 WeakPolarHBondContact O-CB 3.03Å; P982-V985 PolarHBondContact O-N 3.1Å | ||
| 983 | A | 86.6 | Confident | 89.3 | Confident | 70 Ų | 70 | 44.7 Ų | 44.7 | 58% | 0.579 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -49.3 | -36.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y981 V985 W986 D987 | Y981-A983 PolarHBondContact O-N 3.13Å; A983-V985 PolarHBondContact O-N 2.94Å; A983-V985 VanDerWaalsContact O-N 3.16Å; A983-W986 WeakPolarHBondContact O-CA 3.34Å; A983-W986 WeakPolarHBondContact O-CB 3.49Å; A983-W986 PolarHBondContact O-N 3.32Å; A983-D987 PolarHBondContact O-N 3.45Å |
| 984 | R | 87.8 | Confident | 89.5 | Confident | 97 Ų | 97 | 44.4 Ų | 44.4 | 37% | 0.366 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -54.4 | -31.5 | 175.3 | -179.2 | 173.1 | 171.2 | -156.8 | -18.3 | 114.1 | P982 W986 D987 E988 S1745 S1746 | P982-R984 PolarHBondContact O-N 3.02Å; R984-W986 VanDerWaalsContact C-N 3.32Å; R984-D987 WeakPolarHBondContact CA-OD2 3.49Å; R984-D987 PolarHBondContact O-N 3.33Å; R984-E988 HydrophobicContact CG-CG 4.45Å; R984-E988 IonicContact CZ-OE1 3.13Å; R984-E988 IonicContact NE-OE1 2.67Å; R984-E988 PolarHBondContact NE-OE1 3.22Å; R984-E988 IonicContact NH2-OE1 3.89Å; R984-E988 PolarHBondContact NH2-OE1 2.96Å; R984-E988 WeakPolarHBondContact O-CB 3.41Å; R984-E988 WeakPolarHBondContact O-CG 3.31Å; R984-E988 PolarHBondContact O-N 3.02Å; R984-S1745 PolarHBondContact NH1-OG 3.02Å; R984-S1746 PolarHBondContact NH1-OG 2.95Å |
| 985 | V | 88.4 | Confident | 89.6 | Confident | 18 Ų | 18 | 44.2 Ų | 44.2 | 11% | 0.109 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.1 | -40.8 | 174.3 | 176.4 | 0 | 0 | 0 | 0 | 110.5 | P982 A983 E988 L989 L1095 | P982-V985 VanDerWaalsContact O-CB 3.32Å; P982-V985 WeakPolarHBondContact O-CB 3.03Å; P982-V985 PolarHBondContact O-N 3.1Å; A983-V985 PolarHBondContact O-N 2.94Å; A983-V985 VanDerWaalsContact O-N 3.16Å; V985-E988 PolarHBondContact O-N 3.44Å; V985-L989 VanDerWaalsContact O-CB 3.32Å; V985-L989 WeakPolarHBondContact O-CB 3.41Å; V985-L989 PolarHBondContact O-N 3.2Å; V985-L1095 HydrophobicContact CG1-CD1 3.38Å |
| 986 | W | 89.5 | Confident | 89.7 | Confident | 25 Ų | 25 | 40.8 Ų | 40.8 | 10% | 0.095 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -73.7 | -32.2 | 177.4 | -51.3 | 134.5 | 0 | 0 | 0 | 112.6 | I977 R978 Y981 A983 R984 E988 G990 I991 F994 | I977-W986 HydrophobicContact CG2-CH2 3.87Å; I977-W986 HydrophobicContact CG2-CZ2 3.94Å; R978-W986 PolarHBondContact O-NE1 3.42Å; Y981-W986 AromaticContact CD2-CH2 3.63Å; Y981-W986 HydrophobicContact CD2-CH2 3.63Å; Y981-W986 AromaticContact CD2-CZ2 3.52Å; Y981-W986 HydrophobicContact CD2-CZ2 3.52Å; Y981-W986 HydrophobicContact CE2-CH2 4.24Å; Y981-W986 HydrophobicContact CE2-CZ2 4.48Å; Y981-W986 HydrophobicContact CG-CH2 4.08Å; Y981-W986 AromaticContact CG-CZ2 3.9Å; Y981-W986 HydrophobicContact CG-CZ2 3.9Å; A983-W986 WeakPolarHBondContact O-CA 3.34Å; A983-W986 WeakPolarHBondContact O-CB 3.49Å; A983-W986 PolarHBondContact O-N 3.32Å; R984-W986 VanDerWaalsContact C-N 3.32Å; W986-E988 VanDerWaalsContact C-N 3.35Å; W986-G990 VanDerWaalsContact O-CA 3.31Å; W986-G990 WeakPolarHBondContact O-CA 3.32Å; W986-G990 PolarHBondContact O-N 2.83Å; W986-I991 HydrophobicContact CD2-CB 3.85Å; W986-I991 HydrophobicContact CD2-CD1 4.08Å; W986-I991 HydrophobicContact CD2-CG1 4.12Å; W986-I991 HydrophobicContact CE3-CB 3.62Å; W986-I991 HydrophobicContact CE3-CD1 4.35Å; W986-I991 HydrophobicContact CE3-CG1 3.91Å; W986-I991 HydrophobicContact CG-CB 4.31Å; W986-I991 HydrophobicContact CH2-CD1 4.07Å; W986-I991 HydrophobicContact CH2-CG1 3.96Å; W986-I991 HydrophobicContact CZ2-CD1 3.75Å; W986-I991 HydrophobicContact CZ2-CG1 4.14Å; W986-I991 HydrophobicContact CZ3-CB 4.03Å; W986-I991 HydrophobicContact CZ3-CD1 4.36Å; W986-I991 HydrophobicContact CZ3-CG1 3.85Å; W986-F994 HydrophobicContact CH2-CD1 4.17Å; W986-F994 HydrophobicContact CH2-CE1 4.43Å; W986-F994 HydrophobicContact CH2-CG 4.48Å; W986-F994 HydrophobicContact CZ3-CB 4.1Å; W986-F994 HydrophobicContact CZ3-CD1 4.11Å; W986-F994 HydrophobicContact CZ3-CG 4Å |
| 987 | D | 84.7 | Confident | 89.9 | Confident | 67 Ų | 67 | 39.3 Ų | 39.3 | 36% | 0.358 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63 | -40.3 | 169.8 | -65.2 | -45.4 | 0 | 0 | 0 | 111.8 | A983 R984 T1080 | A983-D987 PolarHBondContact O-N 3.45Å; R984-D987 WeakPolarHBondContact CA-OD2 3.49Å; R984-D987 PolarHBondContact O-N 3.33Å; D987-T1080 HydrophobicContact CB-CG2 4.17Å; D987-T1080 WeakPolarHBondContact O-CB 3.25Å; D987-T1080 WeakPolarHBondContact O-CG2 3.31Å; D987-T1080 PolarHBondContact O-OG1 2.87Å |
| 988 | E | 85.5 | Confident | 90.2 | Very high | 13 Ų | 13 | 39.4 Ų | 39.4 | 6% | 0.061 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -83.6 | -34.1 | -176.3 | -72.3 | 175.4 | -178.4 | 0 | 0 | 114.6 | R984 V985 W986 A1083 D1087 T1088 Q1091 | R984-E988 HydrophobicContact CG-CG 4.45Å; R984-E988 IonicContact CZ-OE1 3.13Å; R984-E988 IonicContact NE-OE1 2.67Å; R984-E988 PolarHBondContact NE-OE1 3.22Å; R984-E988 IonicContact NH2-OE1 3.89Å; R984-E988 PolarHBondContact NH2-OE1 2.96Å; R984-E988 WeakPolarHBondContact O-CB 3.41Å; R984-E988 WeakPolarHBondContact O-CG 3.31Å; R984-E988 PolarHBondContact O-N 3.02Å; V985-E988 PolarHBondContact O-N 3.44Å; W986-E988 VanDerWaalsContact C-N 3.35Å; E988-A1083 HydrophobicContact CB-CB 4.19Å; E988-A1083 HydrophobicContact CG-CB 3.82Å; E988-D1087 HydrophobicContact CG-CB 4.44Å; E988-T1088 WeakPolarHBondContact O-CA 3.47Å; E988-T1088 VanDerWaalsContact O-CB 3.29Å; E988-T1088 WeakPolarHBondContact O-CB 3.42Å; E988-T1088 WeakPolarHBondContact O-CG2 3.5Å; E988-T1088 PolarHBondContact O-OG1 2.87Å; E988-Q1091 HydrophobicContact CB-CG 3.83Å; E988-Q1091 VanDerWaalsContact OE2-CG 3.23Å; E988-Q1091 WeakPolarHBondContact OE2-CG 3.18Å; E988-Q1091 PolarHBondContact OE2-NE2 3.46Å |
| 989 | L | 86.7 | Confident | 90.2 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -112.5 | -31.8 | -173.8 | -172.9 | 60 | 0 | 0 | 0 | 114.6 | V985 F993 F994 F1078 Q1091 F1092 L1095 | V985-L989 VanDerWaalsContact O-CB 3.32Å; V985-L989 WeakPolarHBondContact O-CB 3.41Å; V985-L989 PolarHBondContact O-N 3.2Å; L989-F993 HydrophobicContact CD1-CD1 3.8Å; L989-F993 HydrophobicContact CD1-CE1 3.74Å; L989-F993 HydrophobicContact CG-CD1 4.13Å; L989-F994 HydrophobicContact CD2-CB 4.3Å; L989-F994 HydrophobicContact CD2-CD2 3.97Å; L989-F1078 HydrophobicContact CD1-CE1 4.48Å; L989-F1078 WeakPolarHBondContact O-CE1 3.46Å; L989-Q1091 HydrophobicContact CB-CB 4.13Å; L989-Q1091 HydrophobicContact CD1-CB 4.46Å; L989-Q1091 HydrophobicContact CD2-CB 4.43Å; L989-F1092 HydrophobicContact CD1-CB 3.77Å; L989-F1092 HydrophobicContact CD1-CD2 4.44Å; L989-L1095 HydrophobicContact CD2-CB 4.31Å; L989-L1095 HydrophobicContact CD2-CD1 4.31Å |
| 990 | G | 88.2 | Confident | 90.3 | Very high | 20 Ų | 20 | 28.2 Ų | 28.2 | 21% | 0.206 | 16% | 0.159 | C | C | . | . | trans | 78.5 | 120.7 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | W986 V992 F993 F994 | W986-G990 VanDerWaalsContact O-CA 3.31Å; W986-G990 WeakPolarHBondContact O-CA 3.32Å; W986-G990 PolarHBondContact O-N 2.83Å; G990-V992 PolarHBondContact O-N 3.46Å; G990-F993 PolarHBondContact O-N 2.94Å; G990-F994 PolarHBondContact O-N 2.93Å; G990-F994 VanDerWaalsContact O-N 3.07Å | ||
| 991 | I | 91.5 | Very high | 90.5 | Very high | 14 Ų | 14 | 27.8 Ų | 27.8 | 7% | 0.072 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.6 | -37.6 | -174.7 | -170.4 | 166.4 | 0 | 0 | 0 | 114.2 | A974 R978 W986 F993 F994 I995 | A974-I991 HydrophobicContact CB-CD1 4.12Å; A974-I991 HydrophobicContact CB-CG1 4.1Å; A974-I991 HydrophobicContact CB-CG2 4.09Å; A974-I991 VanDerWaalsContact O-CD1 3.24Å; A974-I991 WeakPolarHBondContact O-CD1 3.32Å; R978-I991 HydrophobicContact CB-CD1 3.82Å; W986-I991 HydrophobicContact CD2-CB 3.85Å; W986-I991 HydrophobicContact CD2-CD1 4.08Å; W986-I991 HydrophobicContact CD2-CG1 4.12Å; W986-I991 HydrophobicContact CE3-CB 3.62Å; W986-I991 HydrophobicContact CE3-CD1 4.35Å; W986-I991 HydrophobicContact CE3-CG1 3.91Å; W986-I991 HydrophobicContact CG-CB 4.31Å; W986-I991 HydrophobicContact CH2-CD1 4.07Å; W986-I991 HydrophobicContact CH2-CG1 3.96Å; W986-I991 HydrophobicContact CZ2-CD1 3.75Å; W986-I991 HydrophobicContact CZ2-CG1 4.14Å; W986-I991 HydrophobicContact CZ3-CB 4.03Å; W986-I991 HydrophobicContact CZ3-CD1 4.36Å; W986-I991 HydrophobicContact CZ3-CG1 3.85Å; I991-F993 VanDerWaalsContact C-N 3.32Å; I991-F993 PolarHBondContact O-N 2.62Å; I991-F994 PolarHBondContact O-N 2.77Å; I991-I995 HydrophobicContact CG1-CD1 3.99Å; I991-I995 WeakPolarHBondContact O-CG1 3.34Å; I991-I995 PolarHBondContact O-N 2.77Å |
| 992 | V | 92.2 | Very high | 90.6 | Very high | 27 Ų | 27 | 25.4 Ų | 25.4 | 16% | 0.164 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.6 | -39.2 | 177.7 | -178 | 0 | 0 | 0 | 0 | 110.6 | L967 C970 G990 I995 T996 | L967-V992 HydrophobicContact CD1-CG1 4.19Å; C970-V992 HydrophobicContact CB-CG1 4.48Å; G990-V992 PolarHBondContact O-N 3.46Å; V992-I995 PolarHBondContact O-N 3.37Å; V992-T996 WeakPolarHBondContact O-CB 3.43Å; V992-T996 PolarHBondContact O-N 3.48Å; V992-T996 PolarHBondContact O-OG1 3.27Å |
| 993 | F | 92.8 | Very high | 90.5 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 0% | 0.004 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.5 | -46.1 | 174.2 | 172.8 | -98.3 | 0 | 0 | 0 | 111.9 | L989 G990 I991 I995 T996 F997 W1077 F1078 F1092 F1114 L1118 | L989-F993 HydrophobicContact CD1-CD1 3.8Å; L989-F993 HydrophobicContact CD1-CE1 3.74Å; L989-F993 HydrophobicContact CG-CD1 4.13Å; G990-F993 PolarHBondContact O-N 2.94Å; I991-F993 VanDerWaalsContact C-N 3.32Å; I991-F993 PolarHBondContact O-N 2.62Å; F993-I995 VanDerWaalsContact C-N 3.32Å; F993-I995 PolarHBondContact O-N 2.89Å; F993-T996 PolarHBondContact O-N 3.39Å; F993-F997 PolarHBondContact O-N 3.26Å; F993-W1077 HydrophobicContact CB-CB 4.39Å; F993-W1077 HydrophobicContact CB-CD2 4.48Å; F993-W1077 HydrophobicContact CB-CG 3.96Å; F993-W1077 HydrophobicContact CD2-CB 4.35Å; F993-W1077 AromaticContact CD2-CD2 3.74Å; F993-W1077 HydrophobicContact CD2-CD2 3.74Å; F993-W1077 AromaticContact CD2-CE3 3.91Å; F993-W1077 HydrophobicContact CD2-CE3 3.91Å; F993-W1077 AromaticContact CD2-CG 3.92Å; F993-W1077 HydrophobicContact CD2-CG 3.92Å; F993-W1077 HydrophobicContact CE2-CE3 4.34Å; F993-W1077 HydrophobicContact CG-CG 4.35Å; F993-F1078 AromaticContact CD1-CE1 3.9Å; F993-F1078 HydrophobicContact CD1-CE1 3.9Å; F993-F1078 AromaticContact CD1-CZ 3.89Å; F993-F1078 HydrophobicContact CD1-CZ 3.89Å; F993-F1078 HydrophobicContact CD2-CE2 4.48Å; F993-F1078 AromaticContact CD2-CZ 3.89Å; F993-F1078 HydrophobicContact CD2-CZ 3.89Å; F993-F1078 HydrophobicContact CE1-CE1 4.04Å; F993-F1078 AromaticContact CE1-CZ 3.75Å; F993-F1078 HydrophobicContact CE1-CZ 3.75Å; F993-F1078 HydrophobicContact CE2-CE2 4.33Å; F993-F1078 AromaticContact CE2-CZ 3.73Å; F993-F1078 HydrophobicContact CE2-CZ 3.73Å; F993-F1078 HydrophobicContact CG-CE1 4.17Å; F993-F1078 AromaticContact CG-CZ 3.97Å; F993-F1078 HydrophobicContact CG-CZ 3.97Å; F993-F1078 HydrophobicContact CZ-CE1 4.42Å; F993-F1078 AromaticContact CZ-CZ 3.67Å; F993-F1078 HydrophobicContact CZ-CZ 3.67Å; F993-F1092 AromaticContact CE1-CD2 3.55Å; F993-F1092 HydrophobicContact CE1-CD2 3.55Å; F993-F1092 AromaticContact CE1-CE2 3.82Å; F993-F1092 HydrophobicContact CE1-CE2 3.82Å; F993-F1092 HydrophobicContact CE1-CG 4.31Å; F993-F1092 AromaticContact CZ-CD2 3.76Å; F993-F1092 HydrophobicContact CZ-CD2 3.76Å; F993-F1092 AromaticContact CZ-CE2 3.57Å; F993-F1092 HydrophobicContact CZ-CE2 3.57Å; F993-F1092 HydrophobicContact CZ-CG 4.49Å; F993-F1092 HydrophobicContact CZ-CZ 4.16Å; F993-F1114 AromaticContact CE2-CE1 3.81Å; F993-F1114 HydrophobicContact CE2-CE1 3.81Å; F993-F1114 HydrophobicContact CE2-CZ 4.18Å; F993-F1114 AromaticContact CZ-CE1 4Å; F993-F1114 HydrophobicContact CZ-CE1 4Å; F993-L1118 HydrophobicContact CE2-CD1 3.84Å; F993-L1118 HydrophobicContact CE2-CD2 3.86Å; F993-L1118 HydrophobicContact CE2-CG 4.49Å; F993-L1118 HydrophobicContact CZ-CD1 3.87Å |
| 994 | F | 93.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 18.7 Ų | 18.7 | 0% | 0.004 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -55.8 | -45.4 | 174.7 | 174.6 | -91.9 | 0 | 0 | 0 | 111.9 | A920 F924 I977 W986 L989 G990 I991 F997 W998 L1095 | A920-F994 HydrophobicContact CB-CZ 4.32Å; F924-F994 AromaticContact CE2-CE1 3.96Å; F924-F994 HydrophobicContact CE2-CE1 3.96Å; F924-F994 HydrophobicContact CZ-CE1 4.13Å; I977-F994 HydrophobicContact CG2-CE1 4.49Å; W986-F994 HydrophobicContact CH2-CD1 4.17Å; W986-F994 HydrophobicContact CH2-CE1 4.43Å; W986-F994 HydrophobicContact CH2-CG 4.48Å; W986-F994 HydrophobicContact CZ3-CB 4.1Å; W986-F994 HydrophobicContact CZ3-CD1 4.11Å; W986-F994 HydrophobicContact CZ3-CG 4Å; L989-F994 HydrophobicContact CD2-CB 4.3Å; L989-F994 HydrophobicContact CD2-CD2 3.97Å; G990-F994 PolarHBondContact O-N 2.93Å; G990-F994 VanDerWaalsContact O-N 3.07Å; I991-F994 PolarHBondContact O-N 2.77Å; F994-F997 PolarHBondContact O-N 3.11Å; F994-W998 AromaticContact CD2-CD1 3.82Å; F994-W998 AromaticContact CD2-NE1 3.87Å; F994-W998 AromaticContact CE1-CD1 3.81Å; F994-W998 AromaticContact CE2-CD1 3.54Å; F994-W998 AromaticContact CE2-NE1 3.3Å; F994-W998 VanDerWaalsContact CE2-NE1 3.3Å; F994-W998 AromaticContact CZ-CD1 3.53Å; F994-W998 AromaticContact CZ-NE1 3.56Å; F994-W998 VanDerWaalsContact O-CD1 3.26Å; F994-W998 PolarHBondContact O-N 3.37Å; F994-W998 VanDerWaalsContact O-N 3.15Å; F994-L1095 HydrophobicContact CE2-CB 4.28Å |
| 995 | I | 93.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -67.5 | -44.2 | 178.6 | -69.7 | 161.7 | 0 | 0 | 0 | 111.2 | F924 C970 I973 A974 I991 V992 F993 F997 W998 S999 | F924-I995 HydrophobicContact CE1-CG2 4.44Å; F924-I995 HydrophobicContact CZ-CG1 4.2Å; C970-I995 HydrophobicContact CB-CG2 4.09Å; I973-I995 HydrophobicContact CB-CD1 4.01Å; I973-I995 HydrophobicContact CB-CG2 4.23Å; I973-I995 HydrophobicContact CD1-CG2 4.19Å; I973-I995 HydrophobicContact CG2-CD1 3.74Å; I973-I995 HydrophobicContact CG2-CG1 3.97Å; I973-I995 HydrophobicContact CG2-CG2 4.1Å; A974-I995 HydrophobicContact CB-CD1 3.67Å; A974-I995 VanDerWaalsContact N-CD1 3.26Å; I991-I995 HydrophobicContact CG1-CD1 3.99Å; I991-I995 WeakPolarHBondContact O-CG1 3.34Å; I991-I995 PolarHBondContact O-N 2.77Å; V992-I995 PolarHBondContact O-N 3.37Å; F993-I995 VanDerWaalsContact C-N 3.32Å; F993-I995 PolarHBondContact O-N 2.89Å; I995-F997 VanDerWaalsContact C-N 3.29Å; I995-F997 PolarHBondContact O-N 3.24Å; I995-W998 PolarHBondContact O-N 3.42Å; I995-S999 WeakPolarHBondContact O-CB 3.28Å; I995-S999 PolarHBondContact O-N 3.34Å; I995-S999 PolarHBondContact O-OG 3.19Å; I995-S999 VanDerWaalsContact O-OG 3.13Å |
| 996 | T | 93.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.9 | -39.2 | 177.3 | -54.8 | 0 | 0 | 0 | 0 | 111.5 | V992 F993 S999 L1000 W1069 L1070 W1077 | V992-T996 WeakPolarHBondContact O-CB 3.43Å; V992-T996 PolarHBondContact O-N 3.48Å; V992-T996 PolarHBondContact O-OG1 3.27Å; F993-T996 PolarHBondContact O-N 3.39Å; T996-S999 PolarHBondContact O-OG 3.43Å; T996-L1000 HydrophobicContact CG2-CD1 4.03Å; T996-L1000 WeakPolarHBondContact O-CD1 3.41Å; T996-L1000 WeakPolarHBondContact O-CG 3.44Å; T996-W1069 HydrophobicContact CG2-CH2 3.77Å; T996-W1069 HydrophobicContact CG2-CZ2 4.13Å; T996-W1069 HydrophobicContact CG2-CZ3 4.28Å; T996-L1070 HydrophobicContact CG2-CD2 3.48Å; T996-L1070 VanDerWaalsContact CG2-CD2 3.48Å; T996-W1077 HydrophobicContact CG2-CZ2 4.07Å |
| 997 | F | 94.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -64.9 | -36.8 | 173.5 | 172.7 | -89.6 | 0 | 0 | 0 | 112.9 | F993 F994 I995 F1092 C1096 I1097 R1100 Y1110 F1114 | F993-F997 PolarHBondContact O-N 3.26Å; F994-F997 PolarHBondContact O-N 3.11Å; I995-F997 VanDerWaalsContact C-N 3.29Å; I995-F997 PolarHBondContact O-N 3.24Å; F997-F1092 AromaticContact CD2-CE2 3.93Å; F997-F1092 HydrophobicContact CD2-CE2 3.93Å; F997-F1092 HydrophobicContact CE2-CE2 4.16Å; F997-C1096 HydrophobicContact CD1-CB 3.41Å; F997-C1096 VanDerWaalsContact CD1-CB 3.41Å; F997-C1096 HydrophobicContact CD2-CB 4.19Å; F997-C1096 VanDerWaalsContact CE1-C 3.49Å; F997-C1096 VanDerWaalsContact CE1-CA 3.48Å; F997-C1096 HydrophobicContact CE1-CB 3.36Å; F997-C1096 VanDerWaalsContact CE1-O 3.28Å; F997-C1096 WeakPolarHBondContact CE1-O 3.49Å; F997-C1096 HydrophobicContact CE2-CB 4.14Å; F997-C1096 HydrophobicContact CG-CB 3.83Å; F997-C1096 HydrophobicContact CZ-CB 3.73Å; F997-C1096 WeakPolarHBondContact CZ-O 3.41Å; F997-I1097 HydrophobicContact CE2-CD1 3.76Å; F997-I1097 HydrophobicContact CZ-CD1 4.11Å; F997-R1100 HydrophobicContact CE1-CB 3.94Å; F997-R1100 VanDerWaalsContact CE1-CD 3.46Å; F997-R1100 HydrophobicContact CE1-CG 4.27Å; F997-R1100 HydrophobicContact CZ-CB 3.86Å; F997-R1100 HydrophobicContact CZ-CG 4.15Å; F997-R1100 PolarHBondContact O-NH1 2.96Å; F997-Y1110 HydrophobicContact CD2-CE1 4.09Å; F997-Y1110 AromaticContact CE2-CE1 3.79Å; F997-Y1110 HydrophobicContact CE2-CE1 3.79Å; F997-Y1110 HydrophobicContact CZ-CE1 4.16Å; F997-Y1110 PolarHBondContact O-OH 3.31Å; F997-F1114 HydrophobicContact CB-CE1 4.18Å; F997-F1114 HydrophobicContact CB-CZ 4.27Å; F997-F1114 AromaticContact CD2-CD1 3.57Å; F997-F1114 HydrophobicContact CD2-CD1 3.57Å; F997-F1114 AromaticContact CD2-CE1 3.73Å; F997-F1114 HydrophobicContact CD2-CE1 3.73Å; F997-F1114 HydrophobicContact CD2-CG 4.12Å; F997-F1114 HydrophobicContact CD2-CZ 4.42Å; F997-F1114 HydrophobicContact CE2-CD1 4.17Å; F997-F1114 HydrophobicContact CG-CE1 4.46Å |
| 998 | W | 94.6 | Very high | 91.4 | Very high | 2 Ų | 2 | 12.9 Ų | 12.9 | 1% | 0.008 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -90.4 | -23.4 | -174.9 | -79.9 | 115.3 | 0 | 0 | 0 | 114.3 | D921 F924 R928 F994 I995 L1095 P1099 R1100 | D921-W998 HydrophobicContact CB-CH2 3.92Å; D921-W998 HydrophobicContact CB-CZ3 4.16Å; F924-W998 HydrophobicContact CB-CB 4.01Å; F924-W998 HydrophobicContact CB-CE3 4.3Å; F924-W998 HydrophobicContact CD1-CB 3.29Å; F924-W998 HydrophobicContact CD1-CG 4.37Å; F924-W998 HydrophobicContact CD2-CB 3.99Å; F924-W998 HydrophobicContact CD2-CG 4.27Å; F924-W998 HydrophobicContact CE1-CB 3.59Å; F924-W998 HydrophobicContact CE2-CB 4.23Å; F924-W998 HydrophobicContact CG-CB 3.51Å; F924-W998 HydrophobicContact CG-CG 4.19Å; F924-W998 HydrophobicContact CZ-CB 4.04Å; R928-W998 PolarHBondContact NE-O 3.18Å; F994-W998 AromaticContact CD2-CD1 3.82Å; F994-W998 AromaticContact CD2-NE1 3.87Å; F994-W998 AromaticContact CE1-CD1 3.81Å; F994-W998 AromaticContact CE2-CD1 3.54Å; F994-W998 AromaticContact CE2-NE1 3.3Å; F994-W998 VanDerWaalsContact CE2-NE1 3.3Å; F994-W998 AromaticContact CZ-CD1 3.53Å; F994-W998 AromaticContact CZ-NE1 3.56Å; F994-W998 VanDerWaalsContact O-CD1 3.26Å; F994-W998 PolarHBondContact O-N 3.37Å; F994-W998 VanDerWaalsContact O-N 3.15Å; I995-W998 PolarHBondContact O-N 3.42Å; W998-L1095 PolarHBondContact NE1-O 3.25Å; W998-P1099 HydrophobicContact CH2-CB 4.1Å; W998-P1099 HydrophobicContact CZ2-CB 4.15Å; W998-R1100 HydrophobicContact CH2-CB 3.62Å; W998-R1100 HydrophobicContact CH2-CG 4.22Å; W998-R1100 HydrophobicContact CZ2-CB 4.33Å; W998-R1100 HydrophobicContact CZ3-CB 3.82Å; W998-R1100 HydrophobicContact CZ3-CG 3.88Å |
| 999 | S | 92.7 | Very high | 91.7 | Very high | 13 Ų | 13 | 17.2 Ų | 17.2 | 9% | 0.091 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -79.7 | -23.5 | 179.8 | 65.8 | 0 | 0 | 0 | 0 | 114.5 | I995 T996 | I995-S999 WeakPolarHBondContact O-CB 3.28Å; I995-S999 PolarHBondContact O-N 3.34Å; I995-S999 PolarHBondContact O-OG 3.19Å; I995-S999 VanDerWaalsContact O-OG 3.13Å; T996-S999 PolarHBondContact O-OG 3.43Å |
| 1000 | L | 93.1 | Very high | 91.9 | Very high | 9 Ų | 9 | 19.6 Ų | 19.6 | 5% | 0.047 | 12% | 0.115 | C | C | . | . | trans | -92.2 | 162 | -175.8 | -69.5 | 172.9 | 0 | 0 | 0 | 113.4 | T996 D1004 L1005 V1066 W1069 L1070 R1100 Y1110 F1114 | T996-L1000 HydrophobicContact CG2-CD1 4.03Å; T996-L1000 WeakPolarHBondContact O-CD1 3.41Å; T996-L1000 WeakPolarHBondContact O-CG 3.44Å; L1000-D1004 WeakPolarHBondContact CA-OD2 3.3Å; L1000-D1004 HydrophobicContact CB-CB 4.47Å; L1000-D1004 HydrophobicContact CD2-CB 3.71Å; L1000-D1004 WeakPolarHBondContact CD2-OD2 3.37Å; L1000-L1005 HydrophobicContact CD1-CD2 4.45Å; L1000-V1066 HydrophobicContact CD1-CG1 4.35Å; L1000-V1066 HydrophobicContact CD2-CG1 4.06Å; L1000-W1069 HydrophobicContact CD1-CZ3 4.26Å; L1000-W1069 HydrophobicContact CD2-CZ3 4.12Å; L1000-W1069 HydrophobicContact CG-CZ3 4.39Å; L1000-L1070 HydrophobicContact CD1-CD1 4.35Å; L1000-L1070 HydrophobicContact CD1-CD2 4.03Å; L1000-R1100 VanDerWaalsContact O-CZ 3.23Å; L1000-R1100 PolarHBondContact O-NH1 3.35Å; L1000-R1100 PolarHBondContact O-NH2 2.88Å; L1000-Y1110 HydrophobicContact CB-CE2 3.95Å; L1000-F1114 HydrophobicContact CD1-CE2 4.29Å | ||
| 1001 | Q | 91.8 | Very high | 91.9 | Very high | 53 Ų | 53 | 18.7 Ų | 18.7 | 25% | 0.248 | 11% | 0.106 | C | C | . | . | trans | -129.1 | 174.5 | -179.9 | -48.2 | -157.9 | 51.7 | 0 | 0 | 111.9 | R928 E932 S1003 D1004 Y1110 | R928-Q1001 HydrophobicContact CG-CG 4.47Å; E932-Q1001 PolarHBondContact OE1-NE2 3.39Å; Q1001-S1003 VanDerWaalsContact C-N 3.29Å; Q1001-S1003 PolarHBondContact O-N 3.12Å; Q1001-D1004 PolarHBondContact N-OD2 2.97Å; Q1001-D1004 WeakPolarHBondContact O-CB 3.18Å; Q1001-D1004 PolarHBondContact O-N 3Å; Q1001-D1004 VanDerWaalsContact O-N 3.17Å; Q1001-Y1110 WeakPolarHBondContact O-CD2 3.43Å | ||
| 1002 | S | 90.5 | Very high | 91.9 | Very high | 9 Ų | 9 | 18 Ų | 18 | 6% | 0.063 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -57.1 | -43.8 | 179 | -173.7 | 0 | 0 | 0 | 0 | 111.7 | S813 D1004 L1005 V1006 Q1113 | S813-S1002 WeakPolarHBondContact CB-OG 3.41Å; S813-S1002 PolarHBondContact OG-OG 3.4Å; S1002-D1004 PolarHBondContact O-N 3.48Å; S1002-D1004 VanDerWaalsContact O-N 3.17Å; S1002-L1005 PolarHBondContact O-N 2.89Å; S1002-V1006 PolarHBondContact O-N 3.21Å; S1002-Q1113 PolarHBondContact OG-NE2 2.82Å; S1002-Q1113 PolarHBondContact OG-OE1 2.73Å; S1002-Q1113 VanDerWaalsContact OG-OE1 3.06Å |
| 1003 | S | 88.9 | Confident | 91.9 | Very high | 16 Ų | 16 | 22.1 Ų | 22.1 | 11% | 0.112 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -68.4 | -5 | 179.2 | 47.3 | 0 | 0 | 0 | 0 | 115.2 | S813 Q1001 | S813-S1003 WeakPolarHBondContact O-CA 3.36Å; S813-S1003 VanDerWaalsContact O-CB 3.25Å; S813-S1003 WeakPolarHBondContact O-CB 3.35Å; Q1001-S1003 VanDerWaalsContact C-N 3.29Å; Q1001-S1003 PolarHBondContact O-N 3.12Å |
| 1004 | D | 91.4 | Very high | 91.7 | Very high | 7 Ų | 7 | 25.7 Ų | 25.7 | 4% | 0.037 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -93.7 | -18.3 | 169.7 | -62.1 | -53.6 | 0 | 0 | 0 | 113.1 | L1000 Q1001 S1002 H1062 V1066 | L1000-D1004 WeakPolarHBondContact CA-OD2 3.3Å; L1000-D1004 HydrophobicContact CB-CB 4.47Å; L1000-D1004 HydrophobicContact CD2-CB 3.71Å; L1000-D1004 WeakPolarHBondContact CD2-OD2 3.37Å; Q1001-D1004 PolarHBondContact N-OD2 2.97Å; Q1001-D1004 WeakPolarHBondContact O-CB 3.18Å; Q1001-D1004 PolarHBondContact O-N 3Å; Q1001-D1004 VanDerWaalsContact O-N 3.17Å; S1002-D1004 PolarHBondContact O-N 3.48Å; S1002-D1004 VanDerWaalsContact O-N 3.17Å; D1004-H1062 IonicContact OD1-CD2 3.3Å; D1004-H1062 IonicContact OD1-CE1 2.74Å; D1004-H1062 IonicContact OD1-NE2 3.2Å; D1004-H1062 PolarHBondContact OD1-NE2 3.06Å; D1004-V1066 HydrophobicContact CB-CG1 4.27Å; D1004-V1066 HydrophobicContact CB-CG2 4.26Å; D1004-V1066 WeakPolarHBondContact O-CG1 3.48Å |
| 1005 | L | 91.9 | Very high | 91.4 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -104.9 | -32.6 | -172.8 | -58.6 | -174.6 | 0 | 0 | 0 | 113.5 | L1000 S1002 R1067 L1070 Y1110 Q1113 F1114 V1117 | L1000-L1005 HydrophobicContact CD1-CD2 4.45Å; S1002-L1005 PolarHBondContact O-N 2.89Å; L1005-R1067 PolarHBondContact O-NE 3.42Å; L1005-R1067 PolarHBondContact O-NH2 3.29Å; L1005-L1070 HydrophobicContact CD2-CD1 4.12Å; L1005-Y1110 HydrophobicContact CD1-CD2 3.7Å; L1005-Y1110 HydrophobicContact CD1-CE2 3.49Å; L1005-Y1110 VanDerWaalsContact CD1-CE2 3.49Å; L1005-Y1110 HydrophobicContact CG-CD2 4.36Å; L1005-Y1110 HydrophobicContact CG-CE2 4.04Å; L1005-Q1113 HydrophobicContact CD1-CB 3.96Å; L1005-F1114 HydrophobicContact CD1-CB 3.94Å; L1005-F1114 HydrophobicContact CD1-CD2 4.07Å; L1005-F1114 HydrophobicContact CD2-CD2 4.28Å; L1005-V1117 HydrophobicContact CB-CG2 4.4Å; L1005-V1117 HydrophobicContact CD1-CG2 4.47Å; L1005-V1117 HydrophobicContact CD2-CG2 4.44Å |
| 1006 | V | 90.9 | Very high | 91.3 | Very high | 54 Ų | 54 | 27.3 Ų | 27.3 | 33% | 0.327 | 14% | 0.141 | S | C | . | . | trans | -143.4 | 132.9 | -169.9 | -177.3 | 0 | 0 | 0 | 0 | 109.7 | S1002 Q1113 | S1002-V1006 PolarHBondContact O-N 3.21Å; V1006-Q1113 HydrophobicContact CG2-CG 4.22Å | ||
| 1007 | V | 92 | Very high | 91.2 | Very high | 19 Ų | 19 | 31.6 Ų | 31.6 | 12% | 0.115 | 16% | 0.161 | C | C | . | . | trans | -93.1 | 128.2 | 165.6 | -176.6 | 0 | 0 | 0 | 0 | 108.3 | E1009 Y1012 Q1056 R1059 E1060 V1063 | V1007-E1009 HydrophobicContact CG1-CG 4.43Å; V1007-E1009 PolarHBondContact O-N 3.27Å; V1007-Y1012 HydrophobicContact CG1-CD2 4.28Å; V1007-Y1012 HydrophobicContact CG1-CE2 4.2Å; V1007-Q1056 HydrophobicContact CG1-CG 4.27Å; V1007-R1059 HydrophobicContact CG1-CB 4.45Å; V1007-R1059 HydrophobicContact CG2-CB 4.19Å; V1007-E1060 HydrophobicContact CG1-CG 4.3Å; V1007-E1060 HydrophobicContact CG2-CG 4.08Å; V1007-V1063 HydrophobicContact CG2-CB 4.18Å; V1007-V1063 HydrophobicContact CG2-CG2 3.74Å | ||
| 1008 | P | 90.3 | Very high | 90.9 | Very high | 10 Ų | 10 | 35.7 Ų | 35.7 | 7% | 0.065 | 18% | 0.18 | C | C | . | . | trans | -81.7 | 68.1 | 178.4 | 35.2 | -37.6 | 0 | 0 | 0 | 110.9 | E810 S813 L818 S1010 A1011 Y1012 | E810-P1008 VanDerWaalsContact O-CB 3.32Å; E810-P1008 WeakPolarHBondContact O-CB 3.36Å; E810-P1008 WeakPolarHBondContact O-CG 3.46Å; S813-P1008 WeakPolarHBondContact O-CD 3.29Å; L818-P1008 HydrophobicContact CD2-CG 3.9Å; P1008-S1010 PolarHBondContact O-N 3.44Å; P1008-S1010 VanDerWaalsContact O-N 3.16Å; P1008-A1011 HydrophobicContact CB-CB 4.14Å; P1008-A1011 PolarHBondContact O-N 3.43Å; P1008-Y1012 HydrophobicContact CG-CD2 4.24Å; P1008-Y1012 HydrophobicContact CG-CE2 4.09Å; P1008-Y1012 PolarHBondContact O-N 3.42Å; P1008-Y1012 VanDerWaalsContact O-N 3.14Å | ||
| 1009 | E | 91.1 | Very high | 90.7 | Very high | 105 Ų | 105 | 35.8 Ų | 35.8 | 49% | 0.491 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -49.9 | -40.3 | 179.2 | -66.3 | 173.8 | -142.4 | 0 | 0 | 112.3 | V1007 A1011 Y1012 Q1013 | V1007-E1009 HydrophobicContact CG1-CG 4.43Å; V1007-E1009 PolarHBondContact O-N 3.27Å; E1009-A1011 VanDerWaalsContact C-N 3.32Å; E1009-A1011 PolarHBondContact O-N 3.35Å; E1009-Y1012 PolarHBondContact O-N 3.17Å; E1009-Q1013 WeakPolarHBondContact O-CB 3.46Å; E1009-Q1013 WeakPolarHBondContact O-CG 3.42Å; E1009-Q1013 PolarHBondContact O-N 3.05Å |
| 1010 | S | 89.8 | Confident | 90.7 | Very high | 50 Ų | 50 | 39.6 Ų | 39.6 | 35% | 0.35 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -55.8 | -42.7 | 176.1 | 54 | 0 | 0 | 0 | 0 | 112.9 | E810 P1008 R1014 | E810-S1010 PolarHBondContact OE1-OG 3.24Å; P1008-S1010 PolarHBondContact O-N 3.44Å; P1008-S1010 VanDerWaalsContact O-N 3.16Å; S1010-R1014 WeakPolarHBondContact O-CB 3.45Å; S1010-R1014 PolarHBondContact O-N 3.45Å |
| 1011 | A | 89 | Confident | 90.6 | Very high | 2 Ų | 2 | 43 Ų | 43 | 2% | 0.017 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -78.1 | -38.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112 | E810 L818 P1008 E1009 R1014 Q1015 | E810-A1011 HydrophobicContact CB-CB 4.15Å; L818-A1011 HydrophobicContact CD2-CB 3.89Å; P1008-A1011 HydrophobicContact CB-CB 4.14Å; P1008-A1011 PolarHBondContact O-N 3.43Å; E1009-A1011 VanDerWaalsContact C-N 3.32Å; E1009-A1011 PolarHBondContact O-N 3.35Å; A1011-R1014 PolarHBondContact O-N 2.69Å; A1011-Q1015 WeakPolarHBondContact O-CB 3.31Å; A1011-Q1015 PolarHBondContact O-N 2.75Å |
| 1012 | Y | 91.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.6 | -49.2 | 171.4 | -81.8 | -73.7 | 0 | 0 | 0 | 111.5 | G815 L818 V1007 P1008 E1009 R1014 Q1015 I1016 L1052 E1055 Q1056 | G815-Y1012 PolarHBondContact N-OH 3.14Å; L818-Y1012 HydrophobicContact CB-CD1 4.41Å; L818-Y1012 HydrophobicContact CB-CE1 3.77Å; L818-Y1012 HydrophobicContact CD1-CD1 4.37Å; L818-Y1012 HydrophobicContact CD2-CD1 4.26Å; L818-Y1012 HydrophobicContact CD2-CD2 3.85Å; L818-Y1012 HydrophobicContact CD2-CE1 4.13Å; L818-Y1012 HydrophobicContact CD2-CE2 3.72Å; L818-Y1012 HydrophobicContact CD2-CG 4.11Å; L818-Y1012 HydrophobicContact CG-CE1 4.37Å; V1007-Y1012 HydrophobicContact CG1-CD2 4.28Å; V1007-Y1012 HydrophobicContact CG1-CE2 4.2Å; P1008-Y1012 HydrophobicContact CG-CD2 4.24Å; P1008-Y1012 HydrophobicContact CG-CE2 4.09Å; P1008-Y1012 PolarHBondContact O-N 3.42Å; P1008-Y1012 VanDerWaalsContact O-N 3.14Å; E1009-Y1012 PolarHBondContact O-N 3.17Å; Y1012-R1014 PolarHBondContact O-N 3.19Å; Y1012-Q1015 PolarHBondContact O-N 2.95Å; Y1012-I1016 WeakPolarHBondContact O-CB 3.42Å; Y1012-I1016 VanDerWaalsContact O-CG1 3.3Å; Y1012-I1016 WeakPolarHBondContact O-CG1 3.44Å; Y1012-I1016 PolarHBondContact O-N 2.79Å; Y1012-L1052 HydrophobicContact CD1-CD2 4.25Å; Y1012-L1052 HydrophobicContact CE1-CD2 4.08Å; Y1012-E1055 HydrophobicContact CE1-CB 4.47Å; Y1012-E1055 HydrophobicContact CE1-CG 4.49Å; Y1012-E1055 WeakPolarHBondContact CE1-OE1 3.37Å; Y1012-E1055 WeakPolarHBondContact OH-CG 3.39Å; Y1012-E1055 PolarHBondContact OH-OE1 3.09Å; Y1012-Q1056 HydrophobicContact CD1-CB 3.95Å; Y1012-Q1056 HydrophobicContact CD1-CG 4.45Å; Y1012-Q1056 HydrophobicContact CD2-CB 4.18Å; Y1012-Q1056 HydrophobicContact CD2-CG 3.9Å; Y1012-Q1056 HydrophobicContact CE1-CB 4.17Å; Y1012-Q1056 HydrophobicContact CE2-CB 4.38Å; Y1012-Q1056 HydrophobicContact CE2-CG 4.37Å; Y1012-Q1056 HydrophobicContact CG-CB 3.99Å; Y1012-Q1056 HydrophobicContact CG-CG 3.97Å |
| 1013 | Q | 92.1 | Very high | 90.2 | Very high | 113 Ų | 113 | 44.9 Ų | 44.9 | 53% | 0.528 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.5 | -44.2 | 177.2 | -69.9 | 171.5 | 23.7 | 0 | 0 | 111.7 | E1009 Q1015 I1016 Q1017 | E1009-Q1013 WeakPolarHBondContact O-CB 3.46Å; E1009-Q1013 WeakPolarHBondContact O-CG 3.42Å; E1009-Q1013 PolarHBondContact O-N 3.05Å; Q1013-Q1015 PolarHBondContact O-N 3.11Å; Q1013-I1016 PolarHBondContact O-N 3.26Å; Q1013-Q1017 VanDerWaalsContact O-CB 3.26Å; Q1013-Q1017 WeakPolarHBondContact O-CB 3.48Å; Q1013-Q1017 PolarHBondContact O-N 3.21Å |
| 1014 | R | 89.2 | Confident | 90.1 | Very high | 76 Ų | 76 | 50.1 Ų | 50.1 | 29% | 0.287 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.8 | -45.9 | 176.7 | -170 | -173.1 | -56.6 | 137.4 | 2.2 | 111.8 | E810 S1010 A1011 Y1012 Q1018 | E810-R1014 IonicContact OE1-NH2 2.68Å; E810-R1014 IonicContact OE2-CZ 3.11Å; E810-R1014 IonicContact OE2-NH1 3.14Å; E810-R1014 PolarHBondContact OE2-NH1 2.62Å; E810-R1014 IonicContact OE2-NH2 3.49Å; E810-R1014 PolarHBondContact OE2-NH2 3.32Å; S1010-R1014 WeakPolarHBondContact O-CB 3.45Å; S1010-R1014 PolarHBondContact O-N 3.45Å; A1011-R1014 PolarHBondContact O-N 2.69Å; Y1012-R1014 PolarHBondContact O-N 3.19Å; R1014-Q1018 WeakPolarHBondContact O-CG 3.27Å; R1014-Q1018 PolarHBondContact O-N 2.97Å; R1014-Q1018 VanDerWaalsContact O-N 3.1Å |
| 1015 | Q | 87.1 | Confident | 89.8 | Confident | 19 Ų | 19 | 56 Ų | 56 | 9% | 0.089 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.5 | -44.4 | 179.9 | -164.4 | 65.4 | 14.3 | 0 | 0 | 112.2 | L818 E821 A1011 Y1012 Q1013 Q1017 Q1018 L1019 L1052 | L818-Q1015 HydrophobicContact CD1-CB 4Å; L818-Q1015 HydrophobicContact CD1-CG 4.43Å; E821-Q1015 HydrophobicContact CB-CG 4.18Å; E821-Q1015 PolarHBondContact O-NE2 3.1Å; A1011-Q1015 WeakPolarHBondContact O-CB 3.31Å; A1011-Q1015 PolarHBondContact O-N 2.75Å; Y1012-Q1015 PolarHBondContact O-N 2.95Å; Q1013-Q1015 PolarHBondContact O-N 3.11Å; Q1015-Q1017 VanDerWaalsContact C-N 3.26Å; Q1015-Q1017 PolarHBondContact O-N 3.48Å; Q1015-Q1018 PolarHBondContact O-N 2.63Å; Q1015-L1019 WeakPolarHBondContact O-CG 3.4Å; Q1015-L1019 PolarHBondContact O-N 3.16Å; Q1015-L1052 HydrophobicContact CG-CD1 4.01Å |
| 1016 | I | 91.5 | Very high | 89.3 | Confident | 16 Ų | 16 | 56.7 Ų | 56.7 | 8% | 0.082 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.6 | -37.6 | 176.7 | -71.9 | 167.1 | 0 | 0 | 0 | 110.9 | Y1012 Q1013 L1019 K1020 I1049 L1052 | Y1012-I1016 WeakPolarHBondContact O-CB 3.42Å; Y1012-I1016 VanDerWaalsContact O-CG1 3.3Å; Y1012-I1016 WeakPolarHBondContact O-CG1 3.44Å; Y1012-I1016 PolarHBondContact O-N 2.79Å; Q1013-I1016 PolarHBondContact O-N 3.26Å; I1016-L1019 PolarHBondContact O-N 3.2Å; I1016-K1020 HydrophobicContact CG2-CD 4.15Å; I1016-K1020 VanDerWaalsContact O-CG 3.31Å; I1016-K1020 WeakPolarHBondContact O-CG 3.34Å; I1016-K1020 PolarHBondContact O-N 3.09Å; I1016-K1020 VanDerWaalsContact O-N 3.07Å; I1016-I1049 HydrophobicContact CG2-CG2 3.96Å; I1016-L1052 HydrophobicContact CD1-CB 4.23Å; I1016-L1052 HydrophobicContact CG1-CB 4.07Å; I1016-L1052 HydrophobicContact CG1-CD1 4.38Å |
| 1017 | Q | 92.1 | Very high | 88.8 | Confident | 89 Ų | 89 | 58.3 Ų | 58.3 | 42% | 0.416 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.3 | -45.8 | 175.4 | -179.5 | 57.6 | 23.9 | 0 | 0 | 112.1 | Q1013 Q1015 L1019 K1020 E1021 | Q1013-Q1017 VanDerWaalsContact O-CB 3.26Å; Q1013-Q1017 WeakPolarHBondContact O-CB 3.48Å; Q1013-Q1017 PolarHBondContact O-N 3.21Å; Q1015-Q1017 VanDerWaalsContact C-N 3.26Å; Q1015-Q1017 PolarHBondContact O-N 3.48Å; Q1017-L1019 VanDerWaalsContact C-N 3.29Å; Q1017-L1019 PolarHBondContact O-N 2.96Å; Q1017-K1020 PolarHBondContact O-N 3.46Å; Q1017-K1020 VanDerWaalsContact O-N 3.16Å; Q1017-E1021 WeakPolarHBondContact CG-OE1 3.33Å; Q1017-E1021 PolarHBondContact NE2-OE1 2.86Å; Q1017-E1021 WeakPolarHBondContact O-CG 3.46Å; Q1017-E1021 PolarHBondContact O-N 2.9Å |
| 1018 | Q | 88.7 | Confident | 88.2 | Confident | 87 Ų | 87 | 60.9 Ų | 60.9 | 41% | 0.407 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.4 | -38.1 | 175.4 | -72.4 | 179.2 | 26.5 | 0 | 0 | 112.7 | R1014 Q1015 E1021 Q1022 | R1014-Q1018 WeakPolarHBondContact O-CG 3.27Å; R1014-Q1018 PolarHBondContact O-N 2.97Å; R1014-Q1018 VanDerWaalsContact O-N 3.1Å; Q1015-Q1018 PolarHBondContact O-N 2.63Å; Q1018-E1021 PolarHBondContact O-N 3.26Å; Q1018-Q1022 WeakPolarHBondContact O-CG 3.3Å; Q1018-Q1022 PolarHBondContact O-N 3.35Å |
| 1019 | L | 88.9 | Confident | 86.9 | Confident | 3 Ų | 3 | 66.8 Ų | 66.8 | 2% | 0.016 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.7 | -38 | 176.5 | -65.5 | 171.7 | 0 | 0 | 0 | 112 | Q1015 I1016 Q1017 Q1022 I1023 L1045 L1048 I1049 L1052 | Q1015-L1019 WeakPolarHBondContact O-CG 3.4Å; Q1015-L1019 PolarHBondContact O-N 3.16Å; I1016-L1019 PolarHBondContact O-N 3.2Å; Q1017-L1019 VanDerWaalsContact C-N 3.29Å; Q1017-L1019 PolarHBondContact O-N 2.96Å; L1019-Q1022 PolarHBondContact O-N 2.94Å; L1019-I1023 WeakPolarHBondContact O-CG1 3.29Å; L1019-I1023 PolarHBondContact O-N 3.43Å; L1019-L1045 HydrophobicContact CD2-CD2 3.62Å; L1019-L1048 HydrophobicContact CD1-CD2 3.84Å; L1019-L1048 HydrophobicContact CD1-CG 3.84Å; L1019-L1048 HydrophobicContact CD2-CD2 3.83Å; L1019-I1049 HydrophobicContact CB-CD1 3.82Å; L1019-I1049 HydrophobicContact CB-CG1 3.68Å; L1019-I1049 HydrophobicContact CD1-CG1 3.92Å; L1019-I1049 HydrophobicContact CG-CG1 4.48Å; L1019-L1052 HydrophobicContact CD1-CD1 3.55Å |
| 1020 | K | 92.8 | Very high | 85.6 | Confident | 94 Ų | 94 | 66.4 Ų | 66.4 | 41% | 0.409 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.3 | -39 | 172.9 | -72.7 | 169.3 | -179.3 | 174.5 | 0 | 112.2 | I1016 Q1017 I1023 Q1024 I1049 | I1016-K1020 HydrophobicContact CG2-CD 4.15Å; I1016-K1020 VanDerWaalsContact O-CG 3.31Å; I1016-K1020 WeakPolarHBondContact O-CG 3.34Å; I1016-K1020 PolarHBondContact O-N 3.09Å; I1016-K1020 VanDerWaalsContact O-N 3.07Å; Q1017-K1020 PolarHBondContact O-N 3.46Å; Q1017-K1020 VanDerWaalsContact O-N 3.16Å; K1020-I1023 PolarHBondContact O-N 3.49Å; K1020-Q1024 WeakPolarHBondContact O-CG 3.34Å; K1020-Q1024 PolarHBondContact O-N 2.77Å; K1020-Q1024 VanDerWaalsContact O-N 3.08Å; K1020-I1049 HydrophobicContact CG-CD1 3.85Å |
| 1021 | E | 90.9 | Very high | 84.2 | Confident | 80 Ų | 80 | 65.6 Ų | 65.6 | 37% | 0.374 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66 | -37.4 | 174.9 | -72.7 | 169.3 | -165.3 | 0 | 0 | 112.1 | Q1017 Q1018 Q1024 Q1025 | Q1017-E1021 WeakPolarHBondContact CG-OE1 3.33Å; Q1017-E1021 PolarHBondContact NE2-OE1 2.86Å; Q1017-E1021 WeakPolarHBondContact O-CG 3.46Å; Q1017-E1021 PolarHBondContact O-N 2.9Å; Q1018-E1021 PolarHBondContact O-N 3.26Å; E1021-Q1024 PolarHBondContact O-N 3.04Å; E1021-Q1025 WeakPolarHBondContact O-CG 3.45Å; E1021-Q1025 PolarHBondContact O-N 3.37Å |
| 1022 | Q | 86.4 | Confident | 83.2 | Confident | 74 Ų | 74 | 69.7 Ų | 69.7 | 35% | 0.346 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.2 | -41.7 | 172 | -72.2 | 172.4 | 43.2 | 0 | 0 | 112.2 | Q1018 L1019 Q1024 Q1025 I1026 L1045 | Q1018-Q1022 WeakPolarHBondContact O-CG 3.3Å; Q1018-Q1022 PolarHBondContact O-N 3.35Å; L1019-Q1022 PolarHBondContact O-N 2.94Å; Q1022-Q1024 VanDerWaalsContact C-N 3.35Å; Q1022-Q1024 PolarHBondContact O-N 3.06Å; Q1022-Q1025 PolarHBondContact O-N 3.32Å; Q1022-I1026 WeakPolarHBondContact O-CG1 3.33Å; Q1022-I1026 PolarHBondContact O-N 3.13Å; Q1022-L1045 HydrophobicContact CB-CD1 4.05Å |
| 1023 | I | 88.8 | Confident | 82.1 | Confident | 28 Ų | 28 | 75.1 Ų | 75.1 | 14% | 0.144 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -57.9 | -47 | 173.8 | -69.1 | 167.4 | 0 | 0 | 0 | 110.6 | L1019 K1020 Q1025 I1026 D1027 I1042 L1045 E1046 I1049 | L1019-I1023 WeakPolarHBondContact O-CG1 3.29Å; L1019-I1023 PolarHBondContact O-N 3.43Å; K1020-I1023 PolarHBondContact O-N 3.49Å; I1023-Q1025 PolarHBondContact O-N 3.23Å; I1023-I1026 PolarHBondContact O-N 2.95Å; I1023-D1027 WeakPolarHBondContact O-CB 3.22Å; I1023-D1027 PolarHBondContact O-N 3.12Å; I1023-I1042 HydrophobicContact CG2-CG1 4.34Å; I1023-I1042 HydrophobicContact CG2-CG2 4.11Å; I1023-L1045 HydrophobicContact CD1-CB 3.8Å; I1023-L1045 HydrophobicContact CG1-CB 3.6Å; I1023-L1045 HydrophobicContact CG1-CD1 3.79Å; I1023-L1045 HydrophobicContact CG1-CG 4.33Å; I1023-E1046 HydrophobicContact CD1-CG 3.85Å; I1023-I1049 HydrophobicContact CD1-CD1 3.71Å |
| 1024 | Q | 87 | Confident | 81.1 | Confident | 125 Ų | 125 | 74 Ų | 74 | 58% | 0.584 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -63 | -39.7 | 179.1 | -68.8 | 174.4 | 10.7 | 0 | 0 | 113 | K1020 E1021 Q1022 I1026 D1027 T1028 | K1020-Q1024 WeakPolarHBondContact O-CG 3.34Å; K1020-Q1024 PolarHBondContact O-N 2.77Å; K1020-Q1024 VanDerWaalsContact O-N 3.08Å; E1021-Q1024 PolarHBondContact O-N 3.04Å; Q1022-Q1024 VanDerWaalsContact C-N 3.35Å; Q1022-Q1024 PolarHBondContact O-N 3.06Å; Q1024-I1026 VanDerWaalsContact C-N 3.34Å; Q1024-I1026 PolarHBondContact O-N 3Å; Q1024-D1027 PolarHBondContact O-N 2.89Å; Q1024-T1028 PolarHBondContact O-N 3.41Å; Q1024-T1028 PolarHBondContact O-OG1 3.46Å |
| 1025 | Q | 84.3 | Confident | 80.5 | Confident | 132 Ų | 132 | 75 Ų | 75 | 62% | 0.617 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -64.7 | -36.8 | 175.6 | -71 | 172.3 | 37.7 | 0 | 0 | 112.4 | E1021 Q1022 I1023 | E1021-Q1025 WeakPolarHBondContact O-CG 3.45Å; E1021-Q1025 PolarHBondContact O-N 3.37Å; Q1022-Q1025 PolarHBondContact O-N 3.32Å; I1023-Q1025 PolarHBondContact O-N 3.23Å |
| 1026 | I | 82.1 | Confident | 80 | Confident | 15 Ų | 15 | 78.1 Ų | 78.1 | 8% | 0.077 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -73.8 | -36.8 | 175.4 | -67.2 | 164 | 0 | 0 | 0 | 110.9 | Q1022 I1023 Q1024 S1031 W1033 K1038 E1041 I1042 L1045 | Q1022-I1026 WeakPolarHBondContact O-CG1 3.33Å; Q1022-I1026 PolarHBondContact O-N 3.13Å; I1023-I1026 PolarHBondContact O-N 2.95Å; Q1024-I1026 VanDerWaalsContact C-N 3.34Å; Q1024-I1026 PolarHBondContact O-N 3Å; I1026-S1031 PolarHBondContact O-OG 3.23Å; I1026-W1033 HydrophobicContact CG1-CZ2 4.32Å; I1026-W1033 HydrophobicContact CG2-CD2 4.49Å; I1026-K1038 HydrophobicContact CG2-CB 4.44Å; I1026-K1038 HydrophobicContact CG2-CG 4.02Å; I1026-E1041 HydrophobicContact CD1-CB 4.36Å; I1026-E1041 HydrophobicContact CD1-CG 3.67Å; I1026-I1042 HydrophobicContact CB-CG1 4.45Å; I1026-I1042 HydrophobicContact CG2-CD1 4.09Å; I1026-I1042 HydrophobicContact CG2-CG1 3.89Å; I1026-L1045 HydrophobicContact CD1-CD1 3.7Å |
| 1027 | D | 80.3 | Confident | 79.4 | Confident | 88 Ų | 88 | 83.3 Ų | 83.3 | 47% | 0.471 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -73.2 | -28.9 | -177.1 | -162.5 | 37.2 | 0 | 0 | 0 | 113.4 | I1023 Q1024 K1038 I1042 | I1023-D1027 WeakPolarHBondContact O-CB 3.22Å; I1023-D1027 PolarHBondContact O-N 3.12Å; Q1024-D1027 PolarHBondContact O-N 2.89Å; D1027-K1038 PolarHBondContact O-NZ 3.1Å; D1027-K1038 WeakPolarHBondContact OD1-CE 3.49Å; D1027-K1038 IonicContact OD1-NZ 2.65Å; D1027-K1038 PolarHBondContact OD1-NZ 3.23Å; D1027-I1042 HydrophobicContact CB-CD1 4.33Å |
| 1028 | T | 78.1 | Confident | 79 | Confident | 73 Ų | 73 | 81.4 Ų | 81.4 | 45% | 0.448 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -47.4 | 127.2 | 177.2 | -64.5 | 0 | 0 | 0 | 0 | 112.6 | Q1024 A1030 S1031 | Q1024-T1028 PolarHBondContact O-N 3.41Å; Q1024-T1028 PolarHBondContact O-OG1 3.46Å; T1028-A1030 PolarHBondContact O-N 3.02Å; T1028-S1031 WeakPolarHBondContact O-CB 3.49Å; T1028-S1031 PolarHBondContact O-N 3.39Å; T1028-S1031 PolarHBondContact O-OG 3.27Å |
| 1029 | P | 64.5 | Low | 78.8 | Confident | 134 Ų | 134 | 84.1 Ų | 84.1 | 87% | 0.87 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -16 | -171.9 | -28.3 | 35.6 | 0 | 0 | 0 | 117.1 | ||
| 1030 | A | 62.6 | Low | 78.7 | Confident | 97 Ų | 97 | 92 Ų | 92 | 80% | 0.802 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -0.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | T1028 | T1028-A1030 PolarHBondContact O-N 3.02Š|
| 1031 | S | 60.6 | Low | 78.3 | Confident | 32 Ų | 32 | 89.8 Ų | 89.8 | 22% | 0.224 | 49% | 0.487 | C | S | . | . | trans | -72.2 | 130.2 | -179 | 89.4 | 0 | 0 | 0 | 0 | 110.6 | I1026 T1028 W1033 | I1026-S1031 PolarHBondContact O-OG 3.23Å; T1028-S1031 WeakPolarHBondContact O-CB 3.49Å; T1028-S1031 PolarHBondContact O-N 3.39Å; T1028-S1031 PolarHBondContact O-OG 3.27Å; S1031-W1033 PolarHBondContact O-N 3.18Å | ||
| 1032 | G | 67.7 | Low | 78.2 | Confident | 89 Ų | 89 | 87 Ų | 87 | 92% | 0.918 | 47% | 0.474 | S | S | * | . | trans | -71.7 | 24.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1033 | W | 67.9 | Low | 78.4 | Confident | 113 Ų | 113 | 88.6 Ų | 88.6 | 43% | 0.428 | 48% | 0.481 | S | S | . | . | trans | -89.9 | 129.5 | -175.2 | -67.1 | 75.5 | 0 | 0 | 0 | 110.5 | I1026 S1031 K1037 K1038 E1041 | I1026-W1033 HydrophobicContact CG1-CZ2 4.32Å; I1026-W1033 HydrophobicContact CG2-CD2 4.49Å; S1031-W1033 PolarHBondContact O-N 3.18Å; W1033-K1037 HydrophobicContact CE3-CB 3.86Å; W1033-K1037 HydrophobicContact CZ3-CB 4.36Å; W1033-K1038 HydrophobicContact CB-CB 3.91Å; W1033-E1041 HydrophobicContact CH2-CB 4.34Å; W1033-E1041 HydrophobicContact CH2-CG 3.93Å; W1033-E1041 HydrophobicContact CZ3-CB 3.87Å; W1033-E1041 HydrophobicContact CZ3-CG 3.99Å | ||
| 1034 | N | 72.4 | Confident | 78.4 | Confident | 89 Ų | 89 | 92.3 Ų | 92.3 | 48% | 0.476 | 49% | 0.494 | S | S | . | . | trans | -66 | 146.6 | 167.5 | 73.9 | 33.4 | 0 | 0 | 0 | 109.9 | T1036 K1037 K1038 | N1034-T1036 PolarHBondContact O-N 3.38Å; N1034-T1036 VanDerWaalsContact O-N 3.08Å; N1034-K1037 PolarHBondContact O-N 3.06Å; N1034-K1037 WeakPolarHBondContact OD1-CB 3.42Å; N1034-K1037 VanDerWaalsContact OD1-CG 3.29Å; N1034-K1037 WeakPolarHBondContact OD1-CG 3.23Å; N1034-K1037 PolarHBondContact OD1-N 3.46Å; N1034-K1038 PolarHBondContact O-N 3.35Å | ||
| 1035 | S | 75.4 | Confident | 78.5 | Confident | 98 Ų | 98 | 86.3 Ų | 86.3 | 69% | 0.685 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -49.9 | -40.7 | -172.5 | 176.6 | 0 | 0 | 0 | 0 | 113.1 | K1038 K1039 | S1035-K1038 PolarHBondContact O-N 3.48Å; S1035-K1039 PolarHBondContact O-N 3.16Å |
| 1036 | T | 78.3 | Confident | 78.9 | Confident | 84 Ų | 84 | 85.1 Ų | 85.1 | 52% | 0.515 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.4 | -41.7 | 179.4 | -35.4 | 0 | 0 | 0 | 0 | 113.3 | N1034 R1040 | N1034-T1036 PolarHBondContact O-N 3.38Å; N1034-T1036 VanDerWaalsContact O-N 3.08Å; T1036-R1040 VanDerWaalsContact O-CG 3.26Å; T1036-R1040 WeakPolarHBondContact O-CG 3.42Å; T1036-R1040 PolarHBondContact O-N 3.04Å |
| 1037 | K | 78.9 | Confident | 79.4 | Confident | 125 Ų | 125 | 87.2 Ų | 87.2 | 54% | 0.543 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -70 | -42.8 | 174.1 | -74.5 | -179.9 | 177.2 | -175.2 | 0 | 111.1 | W1033 N1034 K1039 R1040 E1041 | W1033-K1037 HydrophobicContact CE3-CB 3.86Å; W1033-K1037 HydrophobicContact CZ3-CB 4.36Å; N1034-K1037 PolarHBondContact O-N 3.06Å; N1034-K1037 WeakPolarHBondContact OD1-CB 3.42Å; N1034-K1037 VanDerWaalsContact OD1-CG 3.29Å; N1034-K1037 WeakPolarHBondContact OD1-CG 3.23Å; N1034-K1037 PolarHBondContact OD1-N 3.46Å; K1037-K1039 PolarHBondContact O-N 3.27Å; K1037-R1040 PolarHBondContact O-N 3.21Å; K1037-E1041 WeakPolarHBondContact O-CB 3.29Å; K1037-E1041 PolarHBondContact O-N 3.21Å |
| 1038 | K | 81.7 | Confident | 79.7 | Confident | 50 Ų | 50 | 83.6 Ų | 83.6 | 22% | 0.217 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -52.9 | -53.5 | 175.3 | 168 | 167.5 | 170.3 | 172.1 | 0 | 110.7 | I1026 D1027 W1033 N1034 S1035 E1041 I1042 | I1026-K1038 HydrophobicContact CG2-CB 4.44Å; I1026-K1038 HydrophobicContact CG2-CG 4.02Å; D1027-K1038 PolarHBondContact O-NZ 3.1Å; D1027-K1038 WeakPolarHBondContact OD1-CE 3.49Å; D1027-K1038 IonicContact OD1-NZ 2.65Å; D1027-K1038 PolarHBondContact OD1-NZ 3.23Å; W1033-K1038 HydrophobicContact CB-CB 3.91Å; N1034-K1038 PolarHBondContact O-N 3.35Å; S1035-K1038 PolarHBondContact O-N 3.48Å; K1038-E1041 PolarHBondContact O-N 3.32Å; K1038-I1042 HydrophobicContact CG-CD1 3.89Å; K1038-I1042 WeakPolarHBondContact O-CG1 3.5Å; K1038-I1042 PolarHBondContact O-N 2.92Å; K1038-I1042 VanDerWaalsContact O-N 3.09Å |
| 1039 | K | 86 | Confident | 80.4 | Confident | 143 Ų | 143 | 81.2 Ų | 81.2 | 62% | 0.622 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -58.6 | -51.2 | 177.5 | -177.8 | 176.7 | 174.9 | -179.2 | 0 | 111.9 | S1035 K1037 E1041 I1042 E1043 | S1035-K1039 PolarHBondContact O-N 3.16Å; K1037-K1039 PolarHBondContact O-N 3.27Å; K1039-E1041 VanDerWaalsContact C-N 3.29Å; K1039-E1041 PolarHBondContact O-N 2.93Å; K1039-I1042 PolarHBondContact O-N 3.19Å; K1039-E1043 WeakPolarHBondContact CE-OE2 3.44Å; K1039-E1043 VanDerWaalsContact O-CB 3.23Å; K1039-E1043 WeakPolarHBondContact O-CB 3.3Å; K1039-E1043 PolarHBondContact O-N 3.1Å |
| 1040 | R | 86 | Confident | 81.8 | Confident | 168 Ų | 168 | 79.9 Ų | 79.9 | 63% | 0.634 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -59 | -37.9 | -178 | -73.6 | 174.6 | -168.3 | -179.1 | 4.8 | 113.3 | T1036 K1037 R1044 | T1036-R1040 VanDerWaalsContact O-CG 3.26Å; T1036-R1040 WeakPolarHBondContact O-CG 3.42Å; T1036-R1040 PolarHBondContact O-N 3.04Å; K1037-R1040 PolarHBondContact O-N 3.21Å; R1040-R1044 WeakPolarHBondContact O-CB 3.4Å; R1040-R1044 PolarHBondContact O-N 3.24Å |
| 1041 | E | 84.4 | Confident | 83.2 | Confident | 48 Ų | 48 | 82.3 Ų | 82.3 | 22% | 0.224 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -77.6 | -36.4 | -177.8 | -168.4 | 62.1 | -168.3 | 0 | 0 | 111.8 | I1026 W1033 K1037 K1038 K1039 R1044 L1045 | I1026-E1041 HydrophobicContact CD1-CB 4.36Å; I1026-E1041 HydrophobicContact CD1-CG 3.67Å; W1033-E1041 HydrophobicContact CH2-CB 4.34Å; W1033-E1041 HydrophobicContact CH2-CG 3.93Å; W1033-E1041 HydrophobicContact CZ3-CB 3.87Å; W1033-E1041 HydrophobicContact CZ3-CG 3.99Å; K1037-E1041 WeakPolarHBondContact O-CB 3.29Å; K1037-E1041 PolarHBondContact O-N 3.21Å; K1038-E1041 PolarHBondContact O-N 3.32Å; K1039-E1041 VanDerWaalsContact C-N 3.29Å; K1039-E1041 PolarHBondContact O-N 2.93Å; E1041-R1044 VanDerWaalsContact CD-NE 3.27Å; E1041-R1044 PolarHBondContact O-N 3.01Å; E1041-R1044 IonicContact OE1-CZ 3.91Å; E1041-R1044 IonicContact OE1-NE 3.59Å; E1041-R1044 PolarHBondContact OE1-NE 3.25Å; E1041-R1044 IonicContact OE1-NH2 3.78Å; E1041-R1044 PolarHBondContact OE1-NH2 3.45Å; E1041-R1044 IonicContact OE2-NE 3.93Å; E1041-R1044 PolarHBondContact OE2-NE 2.94Å; E1041-R1044 VanDerWaalsContact OE2-NE 3.14Å; E1041-L1045 HydrophobicContact CG-CD1 4.38Å; E1041-L1045 WeakPolarHBondContact O-CB 3.49Å; E1041-L1045 VanDerWaalsContact O-CG 3.26Å; E1041-L1045 WeakPolarHBondContact O-CG 3.5Å; E1041-L1045 PolarHBondContact O-N 3.3Å |
| 1042 | I | 89.1 | Confident | 84.6 | Confident | 21 Ų | 21 | 80.8 Ų | 80.8 | 11% | 0.108 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.3 | -51.2 | 169.3 | -67.5 | 170.6 | 0 | 0 | 0 | 109.8 | I1023 I1026 D1027 K1038 K1039 R1044 L1045 E1046 | I1023-I1042 HydrophobicContact CG2-CG1 4.34Å; I1023-I1042 HydrophobicContact CG2-CG2 4.11Å; I1026-I1042 HydrophobicContact CB-CG1 4.45Å; I1026-I1042 HydrophobicContact CG2-CD1 4.09Å; I1026-I1042 HydrophobicContact CG2-CG1 3.89Å; D1027-I1042 HydrophobicContact CB-CD1 4.33Å; K1038-I1042 HydrophobicContact CG-CD1 3.89Å; K1038-I1042 WeakPolarHBondContact O-CG1 3.5Å; K1038-I1042 PolarHBondContact O-N 2.92Å; K1038-I1042 VanDerWaalsContact O-N 3.09Å; K1039-I1042 PolarHBondContact O-N 3.19Å; I1042-R1044 PolarHBondContact O-N 3.45Å; I1042-L1045 PolarHBondContact O-N 3Å; I1042-E1046 HydrophobicContact CG2-CG 4.11Å; I1042-E1046 WeakPolarHBondContact O-CG 3.41Å; I1042-E1046 PolarHBondContact O-N 3.33Å |
| 1043 | E | 90.1 | Very high | 85.9 | Confident | 108 Ų | 108 | 79.7 Ų | 79.7 | 51% | 0.505 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.6 | -35.5 | 178 | -172.4 | 174.4 | 167.6 | 0 | 0 | 112.1 | K1039 N1047 | K1039-E1043 WeakPolarHBondContact CE-OE2 3.44Å; K1039-E1043 VanDerWaalsContact O-CB 3.23Å; K1039-E1043 WeakPolarHBondContact O-CB 3.3Å; K1039-E1043 PolarHBondContact O-N 3.1Å; E1043-N1047 VanDerWaalsContact O-CB 3.28Å; E1043-N1047 WeakPolarHBondContact O-CB 3.35Å; E1043-N1047 PolarHBondContact O-N 2.91Å; E1043-N1047 VanDerWaalsContact O-N 3.12Å |
| 1044 | R | 89 | Confident | 87.1 | Confident | 106 Ų | 106 | 78.1 Ų | 78.1 | 40% | 0.4 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -67.1 | -42.8 | 172.4 | -170.2 | -164.4 | 69.5 | 69.7 | -5.6 | 112.7 | R1040 E1041 I1042 L1048 | R1040-R1044 WeakPolarHBondContact O-CB 3.4Å; R1040-R1044 PolarHBondContact O-N 3.24Å; E1041-R1044 VanDerWaalsContact CD-NE 3.27Å; E1041-R1044 PolarHBondContact O-N 3.01Å; E1041-R1044 IonicContact OE1-CZ 3.91Å; E1041-R1044 IonicContact OE1-NE 3.59Å; E1041-R1044 PolarHBondContact OE1-NE 3.25Å; E1041-R1044 IonicContact OE1-NH2 3.78Å; E1041-R1044 PolarHBondContact OE1-NH2 3.45Å; E1041-R1044 IonicContact OE2-NE 3.93Å; E1041-R1044 PolarHBondContact OE2-NE 2.94Å; E1041-R1044 VanDerWaalsContact OE2-NE 3.14Å; I1042-R1044 PolarHBondContact O-N 3.45Å; R1044-L1048 WeakPolarHBondContact O-CB 3.42Å; R1044-L1048 PolarHBondContact O-N 2.84Å; R1044-L1048 VanDerWaalsContact O-N 3.13Å |
| 1045 | L | 88.7 | Confident | 88 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -72.2 | -40.4 | -179.4 | -71.6 | 166 | 0 | 0 | 0 | 111.6 | L1019 Q1022 I1023 I1026 E1041 I1042 L1048 I1049 | L1019-L1045 HydrophobicContact CD2-CD2 3.62Å; Q1022-L1045 HydrophobicContact CB-CD1 4.05Å; I1023-L1045 HydrophobicContact CD1-CB 3.8Å; I1023-L1045 HydrophobicContact CG1-CB 3.6Å; I1023-L1045 HydrophobicContact CG1-CD1 3.79Å; I1023-L1045 HydrophobicContact CG1-CG 4.33Å; I1026-L1045 HydrophobicContact CD1-CD1 3.7Å; E1041-L1045 HydrophobicContact CG-CD1 4.38Å; E1041-L1045 WeakPolarHBondContact O-CB 3.49Å; E1041-L1045 VanDerWaalsContact O-CG 3.26Å; E1041-L1045 WeakPolarHBondContact O-CG 3.5Å; E1041-L1045 PolarHBondContact O-N 3.3Å; I1042-L1045 PolarHBondContact O-N 3Å; L1045-L1048 PolarHBondContact O-N 3.43Å; L1045-I1049 WeakPolarHBondContact O-CG1 3.45Å; L1045-I1049 PolarHBondContact O-N 3.31Å |
| 1046 | E | 92.6 | Very high | 88.9 | Confident | 106 Ų | 106 | 71.8 Ų | 71.8 | 50% | 0.495 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.7 | -47.8 | 174.1 | -70.6 | 174.9 | 145.7 | 0 | 0 | 111.1 | I1023 I1042 L1048 I1049 E1050 | I1023-E1046 HydrophobicContact CD1-CG 3.85Å; I1042-E1046 HydrophobicContact CG2-CG 4.11Å; I1042-E1046 WeakPolarHBondContact O-CG 3.41Å; I1042-E1046 PolarHBondContact O-N 3.33Å; E1046-L1048 VanDerWaalsContact C-N 3.25Å; E1046-L1048 PolarHBondContact O-N 2.87Å; E1046-I1049 PolarHBondContact O-N 3.36Å; E1046-E1050 PolarHBondContact O-N 2.92Å |
| 1047 | N | 92.3 | Very high | 89.6 | Confident | 60 Ų | 60 | 70.3 Ų | 70.3 | 32% | 0.321 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.5 | -27.2 | 176.8 | -164 | -98.5 | 0 | 0 | 0 | 112.9 | E1043 E1050 R1051 | E1043-N1047 VanDerWaalsContact O-CB 3.28Å; E1043-N1047 WeakPolarHBondContact O-CB 3.35Å; E1043-N1047 PolarHBondContact O-N 2.91Å; E1043-N1047 VanDerWaalsContact O-N 3.12Å; N1047-E1050 PolarHBondContact ND2-OE2 2.93Å; N1047-R1051 VanDerWaalsContact O-CG 3.24Å; N1047-R1051 WeakPolarHBondContact O-CG 3.27Å; N1047-R1051 PolarHBondContact O-N 2.93Å; N1047-R1051 PolarHBondContact OD1-NE 3.36Å; N1047-R1051 PolarHBondContact OD1-NH2 3.29Å |
| 1048 | L | 87.7 | Confident | 90.2 | Very high | 12 Ų | 12 | 70.9 Ų | 70.9 | 6% | 0.063 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -74.2 | -39.2 | 172.7 | -178.7 | 60 | 0 | 0 | 0 | 112.1 | L817 E821 L1019 R1044 L1045 E1046 R1051 L1052 | L817-L1048 HydrophobicContact CD1-CD1 3.86Å; L817-L1048 HydrophobicContact CD2-CD1 4.17Å; L817-L1048 HydrophobicContact CG-CD1 4.23Å; E821-L1048 HydrophobicContact CG-CD1 4.23Å; E821-L1048 HydrophobicContact CG-CD2 4.41Å; L1019-L1048 HydrophobicContact CD1-CD2 3.84Å; L1019-L1048 HydrophobicContact CD1-CG 3.84Å; L1019-L1048 HydrophobicContact CD2-CD2 3.83Å; R1044-L1048 WeakPolarHBondContact O-CB 3.42Å; R1044-L1048 PolarHBondContact O-N 2.84Å; R1044-L1048 VanDerWaalsContact O-N 3.13Å; L1045-L1048 PolarHBondContact O-N 3.43Å; E1046-L1048 VanDerWaalsContact C-N 3.25Å; E1046-L1048 PolarHBondContact O-N 2.87Å; L1048-R1051 PolarHBondContact O-N 2.65Å; L1048-L1052 HydrophobicContact CG-CD1 4.37Å; L1048-L1052 WeakPolarHBondContact O-CG 3.19Å; L1048-L1052 PolarHBondContact O-N 2.97Å |
| 1049 | I | 92.2 | Very high | 90.6 | Very high | 22 Ų | 22 | 71.8 Ų | 71.8 | 11% | 0.113 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.4 | -43.2 | 173.6 | -70.4 | 160.9 | 0 | 0 | 0 | 110.9 | I1016 L1019 K1020 I1023 L1045 E1046 L1052 T1053 | I1016-I1049 HydrophobicContact CG2-CG2 3.96Å; L1019-I1049 HydrophobicContact CB-CD1 3.82Å; L1019-I1049 HydrophobicContact CB-CG1 3.68Å; L1019-I1049 HydrophobicContact CD1-CG1 3.92Å; L1019-I1049 HydrophobicContact CG-CG1 4.48Å; K1020-I1049 HydrophobicContact CG-CD1 3.85Å; I1023-I1049 HydrophobicContact CD1-CD1 3.71Å; L1045-I1049 WeakPolarHBondContact O-CG1 3.45Å; L1045-I1049 PolarHBondContact O-N 3.31Å; E1046-I1049 PolarHBondContact O-N 3.36Å; I1049-L1052 PolarHBondContact O-N 3.11Å; I1049-T1053 WeakPolarHBondContact O-CB 3.49Å; I1049-T1053 PolarHBondContact O-N 2.9Å; I1049-T1053 PolarHBondContact O-OG1 3.27Å |
| 1050 | E | 94.3 | Very high | 91 | Very high | 106 Ų | 106 | 69 Ų | 69 | 50% | 0.495 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -56.2 | -51.8 | 174.5 | -174 | -170.9 | 178 | 0 | 0 | 110.7 | E1046 N1047 L1052 T1053 N1054 | E1046-E1050 PolarHBondContact O-N 2.92Å; N1047-E1050 PolarHBondContact ND2-OE2 2.93Å; E1050-L1052 PolarHBondContact O-N 3.15Å; E1050-T1053 PolarHBondContact O-N 3.46Å; E1050-N1054 VanDerWaalsContact O-CG 3.25Å; E1050-N1054 PolarHBondContact O-N 3.46Å; E1050-N1054 PolarHBondContact O-ND2 2.89Å |
| 1051 | R | 92.4 | Very high | 91.2 | Very high | 148 Ų | 148 | 65.4 Ų | 65.4 | 56% | 0.558 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -63.2 | -39 | 178.5 | -68.3 | 173 | -158.4 | -141 | 4 | 113.5 | L817 N1047 L1048 T1053 N1054 E1055 | L817-R1051 HydrophobicContact CD2-CB 3.44Å; L817-R1051 VanDerWaalsContact CD2-CB 3.44Å; N1047-R1051 VanDerWaalsContact O-CG 3.24Å; N1047-R1051 WeakPolarHBondContact O-CG 3.27Å; N1047-R1051 PolarHBondContact O-N 2.93Å; N1047-R1051 PolarHBondContact OD1-NE 3.36Å; N1047-R1051 PolarHBondContact OD1-NH2 3.29Å; L1048-R1051 PolarHBondContact O-N 2.65Å; R1051-T1053 VanDerWaalsContact C-N 3.31Å; R1051-N1054 PolarHBondContact O-N 3.29Å; R1051-E1055 WeakPolarHBondContact O-CB 3.4Å; R1051-E1055 PolarHBondContact O-N 3.37Å |
| 1052 | L | 90.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.6 | -36 | 175.8 | -80 | 168 | 0 | 0 | 0 | 111.9 | L817 L818 Y1012 Q1015 I1016 L1019 L1048 I1049 E1050 Q1056 | L817-L1052 HydrophobicContact CB-CD2 4.15Å; L817-L1052 HydrophobicContact CD2-CD2 3.92Å; L817-L1052 HydrophobicContact CD2-CG 3.83Å; L817-L1052 HydrophobicContact CG-CD2 3.75Å; L817-L1052 HydrophobicContact CG-CG 4.1Å; L818-L1052 HydrophobicContact CB-CD2 4.35Å; Y1012-L1052 HydrophobicContact CD1-CD2 4.25Å; Y1012-L1052 HydrophobicContact CE1-CD2 4.08Å; Q1015-L1052 HydrophobicContact CG-CD1 4.01Å; I1016-L1052 HydrophobicContact CD1-CB 4.23Å; I1016-L1052 HydrophobicContact CG1-CB 4.07Å; I1016-L1052 HydrophobicContact CG1-CD1 4.38Å; L1019-L1052 HydrophobicContact CD1-CD1 3.55Å; L1048-L1052 HydrophobicContact CG-CD1 4.37Å; L1048-L1052 WeakPolarHBondContact O-CG 3.19Å; L1048-L1052 PolarHBondContact O-N 2.97Å; I1049-L1052 PolarHBondContact O-N 3.11Å; E1050-L1052 PolarHBondContact O-N 3.15Å; L1052-Q1056 WeakPolarHBondContact O-CB 3.43Å; L1052-Q1056 PolarHBondContact O-N 3.29Å |
| 1053 | T | 93.5 | Very high | 91.7 | Very high | 66 Ų | 66 | 64.4 Ų | 64.4 | 41% | 0.405 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -70.8 | -40.2 | 176.9 | -54.4 | 0 | 0 | 0 | 0 | 111 | I1049 E1050 R1051 Q1056 A1057 | I1049-T1053 WeakPolarHBondContact O-CB 3.49Å; I1049-T1053 PolarHBondContact O-N 2.9Å; I1049-T1053 PolarHBondContact O-OG1 3.27Å; E1050-T1053 PolarHBondContact O-N 3.46Å; R1051-T1053 VanDerWaalsContact C-N 3.31Å; T1053-Q1056 PolarHBondContact O-N 2.97Å; T1053-A1057 PolarHBondContact O-N 3.49Å; T1053-A1057 VanDerWaalsContact O-N 3.08Å |
| 1054 | N | 93.7 | Very high | 91.9 | Very high | 81 Ų | 81 | 60.8 Ų | 60.8 | 43% | 0.433 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.7 | -44.9 | 174.4 | -66.4 | -15.2 | 0 | 0 | 0 | 111.5 | E1050 R1051 Q1056 A1057 E1058 | E1050-N1054 VanDerWaalsContact O-CG 3.25Å; E1050-N1054 PolarHBondContact O-N 3.46Å; E1050-N1054 PolarHBondContact O-ND2 2.89Å; R1051-N1054 PolarHBondContact O-N 3.29Å; N1054-Q1056 VanDerWaalsContact C-N 3.33Å; N1054-Q1056 PolarHBondContact O-N 2.94Å; N1054-A1057 PolarHBondContact O-N 2.92Å; N1054-E1058 WeakPolarHBondContact O-CG 3.45Å; N1054-E1058 PolarHBondContact O-N 3.12Å |
| 1055 | E | 92.3 | Very high | 92.1 | Very high | 24 Ų | 24 | 57.7 Ų | 57.7 | 11% | 0.112 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 175.3 | -174 | -176.2 | 75.6 | 0 | 0 | 111.7 | G815 E816 L817 L818 Y1012 R1051 A1057 E1058 R1059 | G815-E1055 VanDerWaalsContact CA-CD 3.44Å; G815-E1055 WeakPolarHBondContact CA-OE2 3.48Å; E816-E1055 PolarHBondContact N-OE2 2.84Å; L817-E1055 WeakPolarHBondContact CB-OE2 3.23Å; L817-E1055 PolarHBondContact N-OE2 3.3Å; L818-E1055 PolarHBondContact N-OE1 3.35Å; L818-E1055 VanDerWaalsContact N-OE1 3.14Å; Y1012-E1055 HydrophobicContact CE1-CB 4.47Å; Y1012-E1055 HydrophobicContact CE1-CG 4.49Å; Y1012-E1055 WeakPolarHBondContact CE1-OE1 3.37Å; Y1012-E1055 WeakPolarHBondContact OH-CG 3.39Å; Y1012-E1055 PolarHBondContact OH-OE1 3.09Å; R1051-E1055 WeakPolarHBondContact O-CB 3.4Å; R1051-E1055 PolarHBondContact O-N 3.37Å; E1055-A1057 PolarHBondContact O-N 3.41Å; E1055-E1058 PolarHBondContact O-N 3.4Å; E1055-R1059 HydrophobicContact CG-CG 4.4Å; E1055-R1059 WeakPolarHBondContact O-CB 3.21Å; E1055-R1059 WeakPolarHBondContact O-CG 3.44Å; E1055-R1059 PolarHBondContact O-N 3.46Å |
| 1056 | Q | 93.4 | Very high | 92.3 | Very high | 29 Ų | 29 | 57.7 Ų | 57.7 | 14% | 0.136 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.3 | -48.4 | 174.9 | -171.6 | -170 | -39.2 | 0 | 0 | 110.9 | V1007 Y1012 L1052 T1053 N1054 E1058 R1059 E1060 | V1007-Q1056 HydrophobicContact CG1-CG 4.27Å; Y1012-Q1056 HydrophobicContact CD1-CB 3.95Å; Y1012-Q1056 HydrophobicContact CD1-CG 4.45Å; Y1012-Q1056 HydrophobicContact CD2-CB 4.18Å; Y1012-Q1056 HydrophobicContact CD2-CG 3.9Å; Y1012-Q1056 HydrophobicContact CE1-CB 4.17Å; Y1012-Q1056 HydrophobicContact CE2-CB 4.38Å; Y1012-Q1056 HydrophobicContact CE2-CG 4.37Å; Y1012-Q1056 HydrophobicContact CG-CB 3.99Å; Y1012-Q1056 HydrophobicContact CG-CG 3.97Å; L1052-Q1056 WeakPolarHBondContact O-CB 3.43Å; L1052-Q1056 PolarHBondContact O-N 3.29Å; T1053-Q1056 PolarHBondContact O-N 2.97Å; N1054-Q1056 VanDerWaalsContact C-N 3.33Å; N1054-Q1056 PolarHBondContact O-N 2.94Å; Q1056-E1058 PolarHBondContact O-N 2.76Å; Q1056-R1059 PolarHBondContact O-N 2.95Å; Q1056-E1060 WeakPolarHBondContact CG-OE1 3.38Å; Q1056-E1060 PolarHBondContact NE2-OE1 2.71Å; Q1056-E1060 WeakPolarHBondContact O-CG 3.35Å; Q1056-E1060 PolarHBondContact O-N 2.93Å |
| 1057 | A | 93.6 | Very high | 92.3 | Very high | 54 Ų | 54 | 56.9 Ų | 56.9 | 45% | 0.446 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | T1053 N1054 E1055 R1059 E1060 E1061 | T1053-A1057 PolarHBondContact O-N 3.49Å; T1053-A1057 VanDerWaalsContact O-N 3.08Å; N1054-A1057 PolarHBondContact O-N 2.92Å; E1055-A1057 PolarHBondContact O-N 3.41Å; A1057-R1059 VanDerWaalsContact C-N 3.34Å; A1057-E1060 PolarHBondContact O-N 2.9Å; A1057-E1061 PolarHBondContact O-N 3.18Å |
| 1058 | E | 91.2 | Very high | 92.3 | Very high | 136 Ų | 136 | 55 Ų | 55 | 64% | 0.636 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -62.5 | -39.8 | 173.3 | -73.4 | 176.2 | -176.2 | 0 | 0 | 111.9 | N1054 E1055 Q1056 H1062 | N1054-E1058 WeakPolarHBondContact O-CG 3.45Å; N1054-E1058 PolarHBondContact O-N 3.12Å; E1055-E1058 PolarHBondContact O-N 3.4Å; Q1056-E1058 PolarHBondContact O-N 2.76Å; E1058-H1062 WeakPolarHBondContact O-CB 3.23Å; E1058-H1062 PolarHBondContact O-N 3.24Å |
| 1059 | R | 90.3 | Very high | 92.6 | Very high | 70 Ų | 70 | 54.9 Ų | 54.9 | 26% | 0.264 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -70.6 | -39.6 | 176.9 | -68.2 | -73.9 | 167 | 178.7 | -3.3 | 112.1 | V1007 E1055 Q1056 A1057 H1062 V1063 | V1007-R1059 HydrophobicContact CG1-CB 4.45Å; V1007-R1059 HydrophobicContact CG2-CB 4.19Å; E1055-R1059 HydrophobicContact CG-CG 4.4Å; E1055-R1059 WeakPolarHBondContact O-CB 3.21Å; E1055-R1059 WeakPolarHBondContact O-CG 3.44Å; E1055-R1059 PolarHBondContact O-N 3.46Å; Q1056-R1059 PolarHBondContact O-N 2.95Å; A1057-R1059 VanDerWaalsContact C-N 3.34Å; R1059-H1062 PolarHBondContact O-N 3.3Å; R1059-V1063 WeakPolarHBondContact O-CG2 3.27Å; R1059-V1063 PolarHBondContact O-N 3.45Å |
| 1060 | E | 93.3 | Very high | 92.6 | Very high | 84 Ų | 84 | 53.9 Ų | 53.9 | 39% | 0.393 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.5 | -45.1 | 172.7 | -75.5 | 173.4 | -157.8 | 0 | 0 | 111.9 | V1007 Q1056 A1057 A1064 | V1007-E1060 HydrophobicContact CG1-CG 4.3Å; V1007-E1060 HydrophobicContact CG2-CG 4.08Å; Q1056-E1060 WeakPolarHBondContact CG-OE1 3.38Å; Q1056-E1060 PolarHBondContact NE2-OE1 2.71Å; Q1056-E1060 WeakPolarHBondContact O-CG 3.35Å; Q1056-E1060 PolarHBondContact O-N 2.93Å; A1057-E1060 PolarHBondContact O-N 2.9Å; E1060-A1064 VanDerWaalsContact O-CB 3.24Å; E1060-A1064 WeakPolarHBondContact O-CB 3.48Å; E1060-A1064 PolarHBondContact O-N 2.87Å |
| 1061 | E | 91.5 | Very high | 92.5 | Very high | 92 Ų | 92 | 53.4 Ų | 53.4 | 43% | 0.43 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.7 | -39.6 | 176.3 | -150 | -142.7 | 130.6 | 0 | 0 | 111.6 | A1057 A1064 R1065 | A1057-E1061 PolarHBondContact O-N 3.18Å; E1061-A1064 CarbonylContact O-C 3.53Å; E1061-A1064 PolarHBondContact O-N 3.37Å; E1061-R1065 WeakPolarHBondContact O-CG 3.49Å; E1061-R1065 PolarHBondContact O-N 2.84Å; E1061-R1065 IonicContact OE1-CZ 3.92Å; E1061-R1065 IonicContact OE1-NH1 2.77Å; E1061-R1065 PolarHBondContact OE1-NH1 3.27Å; E1061-R1065 IonicContact OE2-NH1 3.16Å; E1061-R1065 PolarHBondContact OE2-NH1 3.44Å; E1061-R1065 VanDerWaalsContact OE2-NH1 3.16Å |
| 1062 | H | 91.8 | Very high | 92.4 | Very high | 37 Ų | 37 | 50.3 Ų | 50.3 | 17% | 0.171 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.2 | -51.8 | 176.8 | -177.1 | 66.6 | 0 | 0 | 0 | 112.8 | D1004 E1058 R1059 A1064 R1065 V1066 | D1004-H1062 IonicContact OD1-CD2 3.3Å; D1004-H1062 IonicContact OD1-CE1 2.74Å; D1004-H1062 IonicContact OD1-NE2 3.2Å; D1004-H1062 PolarHBondContact OD1-NE2 3.06Å; E1058-H1062 WeakPolarHBondContact O-CB 3.23Å; E1058-H1062 PolarHBondContact O-N 3.24Å; R1059-H1062 PolarHBondContact O-N 3.3Å; H1062-A1064 PolarHBondContact O-N 2.73Å; H1062-R1065 WeakPolarHBondContact O-CA 3.31Å; H1062-R1065 WeakPolarHBondContact O-CB 3.41Å; H1062-R1065 PolarHBondContact O-N 3.4Å; H1062-V1066 WeakPolarHBondContact O-CG2 3.33Å; H1062-V1066 PolarHBondContact O-N 3.38Å |
| 1063 | V | 92.6 | Very high | 92.3 | Very high | 11 Ų | 11 | 50.8 Ų | 50.8 | 7% | 0.067 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61 | -33.9 | 175.6 | 175.4 | 0 | 0 | 0 | 0 | 110.7 | V1007 R1059 V1066 R1067 | V1007-V1063 HydrophobicContact CG2-CB 4.18Å; V1007-V1063 HydrophobicContact CG2-CG2 3.74Å; R1059-V1063 WeakPolarHBondContact O-CG2 3.27Å; R1059-V1063 PolarHBondContact O-N 3.45Å; V1063-V1066 PolarHBondContact O-N 2.99Å; V1063-R1067 HydrophobicContact CG1-CG 4.34Å; V1063-R1067 WeakPolarHBondContact O-CB 3.43Å; V1063-R1067 WeakPolarHBondContact O-CG 3.27Å; V1063-R1067 PolarHBondContact O-N 3.24Å |
| 1064 | A | 93 | Very high | 92 | Very high | 33 Ų | 33 | 50.7 Ų | 50.7 | 27% | 0.273 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -70.9 | -25.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | E1060 E1061 H1062 | E1060-A1064 VanDerWaalsContact O-CB 3.24Å; E1060-A1064 WeakPolarHBondContact O-CB 3.48Å; E1060-A1064 PolarHBondContact O-N 2.87Å; E1061-A1064 CarbonylContact O-C 3.53Å; E1061-A1064 PolarHBondContact O-N 3.37Å; H1062-A1064 PolarHBondContact O-N 2.73Å |
| 1065 | R | 92.9 | Very high | 91.7 | Very high | 40 Ų | 40 | 50.3 Ų | 50.3 | 15% | 0.151 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -77.6 | -45.5 | 169.4 | -69.2 | -177.9 | -57.4 | -112.3 | 2 | 111.2 | K959 F962 E1061 H1062 A1068 W1069 | K959-R1065 HydrophobicContact CG-CG 4.3Å; F962-R1065 HydrophobicContact CB-CB 4.27Å; F962-R1065 HydrophobicContact CD1-CB 3.74Å; F962-R1065 HydrophobicContact CD2-CB 4.32Å; F962-R1065 HydrophobicContact CE1-CB 4.11Å; F962-R1065 HydrophobicContact CG-CB 3.85Å; F962-R1065 HydrophobicContact CG-CG 4.5Å; E1061-R1065 WeakPolarHBondContact O-CG 3.49Å; E1061-R1065 PolarHBondContact O-N 2.84Å; E1061-R1065 IonicContact OE1-CZ 3.92Å; E1061-R1065 IonicContact OE1-NH1 2.77Å; E1061-R1065 PolarHBondContact OE1-NH1 3.27Å; E1061-R1065 IonicContact OE2-NH1 3.16Å; E1061-R1065 PolarHBondContact OE2-NH1 3.44Å; E1061-R1065 VanDerWaalsContact OE2-NH1 3.16Å; H1062-R1065 WeakPolarHBondContact O-CA 3.31Å; H1062-R1065 WeakPolarHBondContact O-CB 3.41Å; H1062-R1065 PolarHBondContact O-N 3.4Å; R1065-A1068 WeakPolarHBondContact O-CB 3.48Å; R1065-A1068 PolarHBondContact O-N 3.16Å; R1065-W1069 PolarHBondContact O-N 3.07Å |
| 1066 | V | 92.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.1 | -48.1 | 176 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | F962 L1000 D1004 H1062 V1063 A1068 W1069 L1070 | F962-V1066 HydrophobicContact CE1-CG2 3.91Å; F962-V1066 HydrophobicContact CZ-CG2 4.01Å; L1000-V1066 HydrophobicContact CD1-CG1 4.35Å; L1000-V1066 HydrophobicContact CD2-CG1 4.06Å; D1004-V1066 HydrophobicContact CB-CG1 4.27Å; D1004-V1066 HydrophobicContact CB-CG2 4.26Å; D1004-V1066 WeakPolarHBondContact O-CG1 3.48Å; H1062-V1066 WeakPolarHBondContact O-CG2 3.33Å; H1062-V1066 PolarHBondContact O-N 3.38Å; V1063-V1066 PolarHBondContact O-N 2.99Å; V1066-A1068 PolarHBondContact O-N 2.78Å; V1066-W1069 WeakPolarHBondContact O-CB 3.48Å; V1066-W1069 PolarHBondContact O-N 2.57Å; V1066-W1069 VanDerWaalsContact O-N 3.12Å; V1066-L1070 HydrophobicContact CG1-CD1 3.92Å; V1066-L1070 HydrophobicContact CG1-CG 4.21Å; V1066-L1070 WeakPolarHBondContact O-CG 3.42Å; V1066-L1070 PolarHBondContact O-N 3.25Å |
| 1067 | R | 92.8 | Very high | 90.9 | Very high | 88 Ų | 88 | 52 Ų | 52 | 33% | 0.332 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.7 | -33.2 | 176.2 | -75.9 | -179 | 175.9 | -108.8 | -5.8 | 112.9 | L1005 V1063 M1071 | L1005-R1067 PolarHBondContact O-NE 3.42Å; L1005-R1067 PolarHBondContact O-NH2 3.29Å; V1063-R1067 HydrophobicContact CG1-CG 4.34Å; V1063-R1067 WeakPolarHBondContact O-CB 3.43Å; V1063-R1067 WeakPolarHBondContact O-CG 3.27Å; V1063-R1067 PolarHBondContact O-N 3.24Å; R1067-M1071 WeakPolarHBondContact O-CB 3.39Å; R1067-M1071 WeakPolarHBondContact O-CG 3.22Å; R1067-M1071 PolarHBondContact O-N 2.68Å |
| 1068 | A | 92.4 | Very high | 90.4 | Very high | 22 Ų | 22 | 50.2 Ų | 50.2 | 18% | 0.182 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -70.9 | -38.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K959 R1065 V1066 M1071 T1072 | K959-A1068 HydrophobicContact CB-CB 3.87Å; K959-A1068 HydrophobicContact CD-CB 3.92Å; K959-A1068 HydrophobicContact CG-CB 4.11Å; R1065-A1068 WeakPolarHBondContact O-CB 3.48Å; R1065-A1068 PolarHBondContact O-N 3.16Å; V1066-A1068 PolarHBondContact O-N 2.78Å; A1068-M1071 PolarHBondContact O-N 3.03Å; A1068-T1072 PolarHBondContact O-N 3.11Å; A1068-T1072 VanDerWaalsContact O-N 3.09Å; A1068-T1072 PolarHBondContact O-OG1 2.86Å |
| 1069 | W | 93.5 | Very high | 89.4 | Confident | 8 Ų | 8 | 48.8 Ų | 48.8 | 3% | 0.03 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.6 | -49 | 171.5 | 171.4 | 41.2 | 0 | 0 | 0 | 111.9 | F962 S963 S966 C970 T996 L1000 R1065 V1066 M1071 T1072 E1073 | F962-W1069 HydrophobicContact CD1-CB 4.39Å; S963-W1069 WeakPolarHBondContact OG-CA 3.24Å; S963-W1069 PolarHBondContact OG-N 2.81Å; S966-W1069 VanDerWaalsContact CB-CD2 3.45Å; S966-W1069 VanDerWaalsContact CB-CE2 3.44Å; C970-W1069 VanDerWaalsContact SG-CZ2 3.57Å; T996-W1069 HydrophobicContact CG2-CH2 3.77Å; T996-W1069 HydrophobicContact CG2-CZ2 4.13Å; T996-W1069 HydrophobicContact CG2-CZ3 4.28Å; L1000-W1069 HydrophobicContact CD1-CZ3 4.26Å; L1000-W1069 HydrophobicContact CD2-CZ3 4.12Å; L1000-W1069 HydrophobicContact CG-CZ3 4.39Å; R1065-W1069 PolarHBondContact O-N 3.07Å; V1066-W1069 WeakPolarHBondContact O-CB 3.48Å; V1066-W1069 PolarHBondContact O-N 2.57Å; V1066-W1069 VanDerWaalsContact O-N 3.12Å; W1069-M1071 VanDerWaalsContact C-N 3.31Å; W1069-M1071 PolarHBondContact O-N 3Å; W1069-T1072 WeakPolarHBondContact O-CA 3.37Å; W1069-T1072 VanDerWaalsContact O-CB 3.3Å; W1069-T1072 WeakPolarHBondContact O-CB 3.26Å; W1069-T1072 PolarHBondContact O-N 3.08Å; W1069-E1073 PolarHBondContact O-N 3.05Å; W1069-E1073 VanDerWaalsContact O-N 3.08Å |
| 1070 | L | 92.9 | Very high | 88.2 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63 | -35.7 | 177.8 | -60 | 175.3 | 0 | 0 | 0 | 112.3 | T996 L1000 L1005 V1066 T1072 E1073 R1074 W1077 V1117 L1121 | T996-L1070 HydrophobicContact CG2-CD2 3.48Å; T996-L1070 VanDerWaalsContact CG2-CD2 3.48Å; L1000-L1070 HydrophobicContact CD1-CD1 4.35Å; L1000-L1070 HydrophobicContact CD1-CD2 4.03Å; L1005-L1070 HydrophobicContact CD2-CD1 4.12Å; V1066-L1070 HydrophobicContact CG1-CD1 3.92Å; V1066-L1070 HydrophobicContact CG1-CG 4.21Å; V1066-L1070 WeakPolarHBondContact O-CG 3.42Å; V1066-L1070 PolarHBondContact O-N 3.25Å; L1070-T1072 VanDerWaalsContact C-N 3.28Å; L1070-T1072 PolarHBondContact O-N 3.31Å; L1070-E1073 PolarHBondContact O-N 2.83Å; L1070-R1074 WeakPolarHBondContact O-CB 3.37Å; L1070-R1074 PolarHBondContact O-N 3.4Å; L1070-W1077 HydrophobicContact CB-CH2 4.15Å; L1070-W1077 HydrophobicContact CD2-CH2 3.68Å; L1070-W1077 HydrophobicContact CD2-CZ2 4.11Å; L1070-V1117 HydrophobicContact CD1-CG1 4.07Å; L1070-L1121 HydrophobicContact CB-CD1 3.81Å; L1070-L1121 HydrophobicContact CB-CD2 4.26Å |
| 1071 | M | 91.9 | Very high | 86.8 | Confident | 95 Ų | 95 | 55.2 Ų | 55.2 | 47% | 0.468 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65 | -27.8 | 171.3 | -78.6 | -74 | -84 | 0 | 0 | 113.5 | R1067 A1068 W1069 L1121 | R1067-M1071 WeakPolarHBondContact O-CB 3.39Å; R1067-M1071 WeakPolarHBondContact O-CG 3.22Å; R1067-M1071 PolarHBondContact O-N 2.68Å; A1068-M1071 PolarHBondContact O-N 3.03Å; W1069-M1071 VanDerWaalsContact C-N 3.31Å; W1069-M1071 PolarHBondContact O-N 3Å; M1071-L1121 HydrophobicContact CB-CD2 4.37Å; M1071-L1121 HydrophobicContact CG-CD2 3.48Å; M1071-L1121 VanDerWaalsContact CG-CD2 3.48Å; M1071-L1121 HydrophobicContact SD-CD2 3.46Å; M1071-L1121 WeakPolarHBondContact SD-CD2 3.36Å |
| 1072 | T | 89.9 | Confident | 85.6 | Confident | 84 Ų | 84 | 57.8 Ų | 57.8 | 52% | 0.515 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -75.4 | -39.1 | 176.3 | -51.9 | 0 | 0 | 0 | 0 | 110.9 | A1068 W1069 L1070 | A1068-T1072 PolarHBondContact O-N 3.11Å; A1068-T1072 VanDerWaalsContact O-N 3.09Å; A1068-T1072 PolarHBondContact O-OG1 2.86Å; W1069-T1072 WeakPolarHBondContact O-CA 3.37Å; W1069-T1072 VanDerWaalsContact O-CB 3.3Å; W1069-T1072 WeakPolarHBondContact O-CB 3.26Å; W1069-T1072 PolarHBondContact O-N 3.08Å; L1070-T1072 VanDerWaalsContact C-N 3.28Å; L1070-T1072 PolarHBondContact O-N 3.31Å |
| 1073 | E | 88.6 | Confident | 84.5 | Confident | 9 Ų | 9 | 57.1 Ų | 57.1 | 4% | 0.042 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -90.9 | -16.7 | -173.6 | -79.4 | -67.6 | 102.7 | 0 | 0 | 115.3 | L967 W1069 L1070 D1075 N1076 W1077 | L967-E1073 HydrophobicContact CD1-CG 4.36Å; W1069-E1073 PolarHBondContact O-N 3.05Å; W1069-E1073 VanDerWaalsContact O-N 3.08Å; L1070-E1073 PolarHBondContact O-N 2.83Å; E1073-D1075 PolarHBondContact O-N 2.84Å; E1073-N1076 WeakPolarHBondContact O-CA 3.31Å; E1073-N1076 WeakPolarHBondContact O-CB 3.22Å; E1073-N1076 PolarHBondContact O-N 3.16Å; E1073-N1076 PolarHBondContact OE1-ND2 3.39Å; E1073-W1077 HydrophobicContact CB-CH2 4.25Å; E1073-W1077 HydrophobicContact CB-CZ2 3.43Å; E1073-W1077 VanDerWaalsContact CB-CZ2 3.43Å; E1073-W1077 PolarHBondContact O-N 3.35Å |
| 1074 | R | 88.6 | Confident | 83.9 | Confident | 65 Ų | 65 | 60 Ų | 60 | 25% | 0.245 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -28.9 | -174.7 | 72.7 | 176.6 | -167.2 | -178.8 | -2.3 | 115.5 | L1070 W1077 L1121 | L1070-R1074 WeakPolarHBondContact O-CB 3.37Å; L1070-R1074 PolarHBondContact O-N 3.4Å; R1074-W1077 HydrophobicContact CB-CE3 4.43Å; R1074-W1077 HydrophobicContact CB-CZ3 4.25Å; R1074-L1121 HydrophobicContact CB-CB 4.42Å; R1074-L1121 WeakPolarHBondContact CD-O 3.47Å; R1074-L1121 PolarHBondContact NH1-O 2.88Å |
| 1075 | D | 86.2 | Confident | 83.4 | Confident | 72 Ų | 72 | 61.1 Ų | 61.1 | 39% | 0.385 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -7.8 | -176.5 | -68.2 | -51.8 | 0 | 0 | 0 | 111.5 | E1073 Q1079 | E1073-D1075 PolarHBondContact O-N 2.84Å; D1075-Q1079 PolarHBondContact O-NE2 2.83Å |
| 1076 | N | 85 | Confident | 83 | Confident | 83 Ų | 83 | 62.2 Ų | 62.2 | 44% | 0.444 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -22.9 | 170.1 | -66.5 | -25.1 | 0 | 0 | 0 | 112.4 | E1073 Q1079 | E1073-N1076 WeakPolarHBondContact O-CA 3.31Å; E1073-N1076 WeakPolarHBondContact O-CB 3.22Å; E1073-N1076 PolarHBondContact O-N 3.16Å; E1073-N1076 PolarHBondContact OE1-ND2 3.39Å; N1076-Q1079 WeakPolarHBondContact O-CG 3.39Å; N1076-Q1079 PolarHBondContact OD1-NE2 3.06Å |
| 1077 | W | 84.2 | Confident | 82.8 | Confident | 6 Ų | 6 | 64.3 Ų | 64.3 | 2% | 0.023 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | 149.4 | 174.7 | -53.2 | -26.4 | 0 | 0 | 0 | 112.1 | F993 T996 L1070 E1073 R1074 Q1079 L1118 L1121 T1123 | F993-W1077 HydrophobicContact CB-CB 4.39Å; F993-W1077 HydrophobicContact CB-CD2 4.48Å; F993-W1077 HydrophobicContact CB-CG 3.96Å; F993-W1077 HydrophobicContact CD2-CB 4.35Å; F993-W1077 AromaticContact CD2-CD2 3.74Å; F993-W1077 HydrophobicContact CD2-CD2 3.74Å; F993-W1077 AromaticContact CD2-CE3 3.91Å; F993-W1077 HydrophobicContact CD2-CE3 3.91Å; F993-W1077 AromaticContact CD2-CG 3.92Å; F993-W1077 HydrophobicContact CD2-CG 3.92Å; F993-W1077 HydrophobicContact CE2-CE3 4.34Å; F993-W1077 HydrophobicContact CG-CG 4.35Å; T996-W1077 HydrophobicContact CG2-CZ2 4.07Å; L1070-W1077 HydrophobicContact CB-CH2 4.15Å; L1070-W1077 HydrophobicContact CD2-CH2 3.68Å; L1070-W1077 HydrophobicContact CD2-CZ2 4.11Å; E1073-W1077 HydrophobicContact CB-CH2 4.25Å; E1073-W1077 HydrophobicContact CB-CZ2 3.43Å; E1073-W1077 VanDerWaalsContact CB-CZ2 3.43Å; E1073-W1077 PolarHBondContact O-N 3.35Å; R1074-W1077 HydrophobicContact CB-CE3 4.43Å; R1074-W1077 HydrophobicContact CB-CZ3 4.25Å; W1077-Q1079 PolarHBondContact O-N 3.42Å; W1077-Q1079 VanDerWaalsContact O-N 3.16Å; W1077-L1118 HydrophobicContact CE3-CD2 4.02Å; W1077-L1118 HydrophobicContact CZ3-CD2 3.68Å; W1077-L1121 HydrophobicContact CZ3-CD1 4.26Å; W1077-T1123 HydrophobicContact CE3-CG2 3.97Å |
| 1078 | F | 82.8 | Confident | 82.6 | Confident | 16 Ų | 16 | 60.9 Ų | 60.9 | 7% | 0.07 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56 | 29.4 | 176.9 | -41.8 | -56.6 | 0 | 0 | 0 | 115.6 | L989 F993 T1080 T1088 T1123 R1125 F1126 | L989-F1078 HydrophobicContact CD1-CE1 4.48Å; L989-F1078 WeakPolarHBondContact O-CE1 3.46Å; F993-F1078 AromaticContact CD1-CE1 3.9Å; F993-F1078 HydrophobicContact CD1-CE1 3.9Å; F993-F1078 AromaticContact CD1-CZ 3.89Å; F993-F1078 HydrophobicContact CD1-CZ 3.89Å; F993-F1078 HydrophobicContact CD2-CE2 4.48Å; F993-F1078 AromaticContact CD2-CZ 3.89Å; F993-F1078 HydrophobicContact CD2-CZ 3.89Å; F993-F1078 HydrophobicContact CE1-CE1 4.04Å; F993-F1078 AromaticContact CE1-CZ 3.75Å; F993-F1078 HydrophobicContact CE1-CZ 3.75Å; F993-F1078 HydrophobicContact CE2-CE2 4.33Å; F993-F1078 AromaticContact CE2-CZ 3.73Å; F993-F1078 HydrophobicContact CE2-CZ 3.73Å; F993-F1078 HydrophobicContact CG-CE1 4.17Å; F993-F1078 AromaticContact CG-CZ 3.97Å; F993-F1078 HydrophobicContact CG-CZ 3.97Å; F993-F1078 HydrophobicContact CZ-CE1 4.42Å; F993-F1078 AromaticContact CZ-CZ 3.67Å; F993-F1078 HydrophobicContact CZ-CZ 3.67Å; F1078-T1080 VanDerWaalsContact C-N 3.3Å; F1078-T1080 PolarHBondContact O-N 3.29Å; F1078-T1088 HydrophobicContact CD1-CG2 3.39Å; F1078-T1088 HydrophobicContact CE1-CG2 3.55Å; F1078-T1088 HydrophobicContact CG-CG2 4.16Å; F1078-T1088 HydrophobicContact CZ-CG2 4.41Å; F1078-T1123 HydrophobicContact CD2-CG2 4.07Å; F1078-T1123 HydrophobicContact CE2-CG2 3.9Å; F1078-R1125 WeakPolarHBondContact O-CD 3.37Å; F1078-R1125 PolarHBondContact O-NH1 2.87Å; F1078-F1126 HydrophobicContact CD2-CB 4.15Å; F1078-F1126 HydrophobicContact CE2-CB 3.99Å; F1078-F1126 AromaticContact CE2-CD2 3.91Å; F1078-F1126 HydrophobicContact CE2-CD2 3.91Å; F1078-F1126 HydrophobicContact CE2-CG 4.33Å; F1078-F1126 HydrophobicContact CZ-CD2 4.2Å |
| 1079 | Q | 70.8 | Confident | 82.5 | Confident | 107 Ų | 107 | 59.9 Ų | 59.9 | 50% | 0.5 | 30% | 0.3 | S | S | . | . | trans | -69.7 | -19.2 | -179.7 | -77.7 | -167.8 | 1.2 | 0 | 0 | 115 | D1075 N1076 W1077 R1125 | D1075-Q1079 PolarHBondContact O-NE2 2.83Å; N1076-Q1079 WeakPolarHBondContact O-CG 3.39Å; N1076-Q1079 PolarHBondContact OD1-NE2 3.06Å; W1077-Q1079 PolarHBondContact O-N 3.42Å; W1077-Q1079 VanDerWaalsContact O-N 3.16Å; Q1079-R1125 VanDerWaalsContact CA-NH1 3.35Å; Q1079-R1125 PolarHBondContact O-NH1 3.49Å | ||
| 1080 | T | 65.2 | Low | 82.4 | Confident | 48 Ų | 48 | 62.2 Ų | 62.2 | 29% | 0.294 | 32% | 0.315 | S | S | . | . | trans | -59.5 | 138.6 | -179.4 | -33 | 0 | 0 | 0 | 0 | 112.6 | D987 F1078 L1082 | D987-T1080 HydrophobicContact CB-CG2 4.17Å; D987-T1080 WeakPolarHBondContact O-CB 3.25Å; D987-T1080 WeakPolarHBondContact O-CG2 3.31Å; D987-T1080 PolarHBondContact O-OG1 2.87Å; F1078-T1080 VanDerWaalsContact C-N 3.3Å; F1078-T1080 PolarHBondContact O-N 3.29Å; T1080-L1082 HydrophobicContact CG2-CB 4.15Å; T1080-L1082 HydrophobicContact CG2-CD1 4.45Å; T1080-L1082 HydrophobicContact CG2-CG 4.42Å | ||
| 1081 | R | 64 | Low | 82.3 | Confident | 240 Ų | 240 | 63.9 Ų | 63.9 | 91% | 0.906 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -91.9 | -8.6 | 177.2 | -64.1 | -175.3 | -177.4 | -177.9 | 1.6 | 114.4 | ||
| 1082 | L | 65.2 | Low | 82.4 | Confident | 146 Ų | 146 | 59.4 Ų | 59.4 | 76% | 0.764 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -85.4 | -36.5 | -172.2 | -65.6 | 169.8 | 0 | 0 | 0 | 112.9 | T1080 | T1080-L1082 HydrophobicContact CG2-CB 4.15Å; T1080-L1082 HydrophobicContact CG2-CD1 4.45Å; T1080-L1082 HydrophobicContact CG2-CG 4.42Å |
| 1083 | A | 69 | Low | 82.6 | Confident | 23 Ų | 23 | 55.6 Ų | 55.6 | 19% | 0.19 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -79 | 140.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | E988 | E988-A1083 HydrophobicContact CB-CB 4.19Å; E988-A1083 HydrophobicContact CG-CB 3.82Å |
| 1084 | T | 80.6 | Confident | 82.8 | Confident | 71 Ų | 71 | 60.7 Ų | 60.7 | 44% | 0.436 | 30% | 0.301 | S | S | . | . | trans | -80 | 155.6 | 164.5 | 80.1 | 0 | 0 | 0 | 0 | 109.6 | T1086 D1087 T1088 | T1084-T1086 PolarHBondContact O-N 2.86Å; T1084-T1086 VanDerWaalsContact O-N 3.1Å; T1084-T1086 WeakPolarHBondContact OG1-CB 3.46Å; T1084-T1086 PolarHBondContact OG1-N 2.91Å; T1084-D1087 VanDerWaalsContact CB-OD2 3.26Å; T1084-D1087 WeakPolarHBondContact CB-OD2 3.45Å; T1084-D1087 WeakPolarHBondContact CG2-OD2 3.38Å; T1084-D1087 PolarHBondContact N-OD2 3Å; T1084-D1087 VanDerWaalsContact N-OD2 3.17Å; T1084-D1087 PolarHBondContact O-N 2.83Å; T1084-D1087 VanDerWaalsContact OG1-CG 3.26Å; T1084-D1087 PolarHBondContact OG1-N 3.35Å; T1084-D1087 PolarHBondContact OG1-OD2 3.05Å; T1084-T1088 PolarHBondContact O-N 3.41Å; T1084-T1088 PolarHBondContact O-OG1 2.96Å | ||
| 1085 | K | 81.5 | Confident | 83 | Confident | 58 Ų | 58 | 59.4 Ų | 59.4 | 25% | 0.252 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -52 | -35.4 | 172.4 | -62.1 | -168.7 | 179.3 | -163.6 | 0 | 111.9 | I1089 R1125 I1130 | K1085-I1089 WeakPolarHBondContact O-CB 3.44Å; K1085-I1089 VanDerWaalsContact O-CG1 3.26Å; K1085-I1089 WeakPolarHBondContact O-CG1 3.46Å; K1085-I1089 PolarHBondContact O-N 3.16Å; K1085-R1125 VanDerWaalsContact CD-O 3.29Å; K1085-R1125 WeakPolarHBondContact CD-O 3.31Å; K1085-R1125 WeakPolarHBondContact CE-O 3.47Å; K1085-R1125 PolarHBondContact NZ-O 2.83Å; K1085-I1130 HydrophobicContact CB-CD1 4.28Å |
| 1086 | T | 86.1 | Confident | 83.4 | Confident | 62 Ų | 62 | 56 Ų | 56 | 38% | 0.38 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.2 | -36 | 179.3 | -54 | 0 | 0 | 0 | 0 | 112.3 | T1084 T1090 R1134 | T1084-T1086 PolarHBondContact O-N 2.86Å; T1084-T1086 VanDerWaalsContact O-N 3.1Å; T1084-T1086 WeakPolarHBondContact OG1-CB 3.46Å; T1084-T1086 PolarHBondContact OG1-N 2.91Å; T1086-T1090 PolarHBondContact O-N 2.99Å; T1086-T1090 VanDerWaalsContact O-N 3.13Å; T1086-T1090 PolarHBondContact O-OG1 3.35Å; T1086-R1134 PolarHBondContact O-NH1 2.91Å; T1086-R1134 PolarHBondContact O-NH2 3.22Å |
| 1087 | D | 87.2 | Confident | 83.8 | Confident | 46 Ų | 46 | 52 Ų | 52 | 25% | 0.246 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -77.8 | -46.5 | 177.8 | -52.1 | -56.8 | 0 | 0 | 0 | 110.9 | E988 T1084 I1089 T1090 Q1091 | E988-D1087 HydrophobicContact CG-CB 4.44Å; T1084-D1087 VanDerWaalsContact CB-OD2 3.26Å; T1084-D1087 WeakPolarHBondContact CB-OD2 3.45Å; T1084-D1087 WeakPolarHBondContact CG2-OD2 3.38Å; T1084-D1087 PolarHBondContact N-OD2 3Å; T1084-D1087 VanDerWaalsContact N-OD2 3.17Å; T1084-D1087 PolarHBondContact O-N 2.83Å; T1084-D1087 VanDerWaalsContact OG1-CG 3.26Å; T1084-D1087 PolarHBondContact OG1-N 3.35Å; T1084-D1087 PolarHBondContact OG1-OD2 3.05Å; D1087-I1089 VanDerWaalsContact C-N 3.31Å; D1087-I1089 PolarHBondContact O-N 2.98Å; D1087-T1090 CarbonylContact O-C 3.58Å; D1087-T1090 WeakPolarHBondContact O-CA 3.31Å; D1087-T1090 WeakPolarHBondContact O-CB 3.39Å; D1087-T1090 PolarHBondContact O-N 3.14Å; D1087-Q1091 PolarHBondContact O-N 3.2Å |
| 1088 | T | 88.4 | Confident | 84.3 | Confident | 15 Ų | 15 | 53.8 Ų | 53.8 | 9% | 0.092 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -53.1 | -46.6 | 172.6 | -63.6 | 0 | 0 | 0 | 0 | 112.1 | E988 F1078 T1084 T1090 Q1091 F1092 | E988-T1088 WeakPolarHBondContact O-CA 3.47Å; E988-T1088 VanDerWaalsContact O-CB 3.29Å; E988-T1088 WeakPolarHBondContact O-CB 3.42Å; E988-T1088 WeakPolarHBondContact O-CG2 3.5Å; E988-T1088 PolarHBondContact O-OG1 2.87Å; F1078-T1088 HydrophobicContact CD1-CG2 3.39Å; F1078-T1088 HydrophobicContact CE1-CG2 3.55Å; F1078-T1088 HydrophobicContact CG-CG2 4.16Å; F1078-T1088 HydrophobicContact CZ-CG2 4.41Å; T1084-T1088 PolarHBondContact O-N 3.41Å; T1084-T1088 PolarHBondContact O-OG1 2.96Å; T1088-T1090 VanDerWaalsContact C-N 3.34Å; T1088-T1090 PolarHBondContact O-N 2.99Å; T1088-Q1091 PolarHBondContact O-N 3.31Å; T1088-F1092 WeakPolarHBondContact O-CB 3.32Å; T1088-F1092 PolarHBondContact O-N 3.48Å |
| 1089 | I | 91.1 | Very high | 84.8 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.1 | -35.4 | 175.2 | -69.3 | -56.6 | 0 | 0 | 0 | 111.6 | K1085 D1087 L1093 F1126 I1130 C1131 R1134 | K1085-I1089 WeakPolarHBondContact O-CB 3.44Å; K1085-I1089 VanDerWaalsContact O-CG1 3.26Å; K1085-I1089 WeakPolarHBondContact O-CG1 3.46Å; K1085-I1089 PolarHBondContact O-N 3.16Å; D1087-I1089 VanDerWaalsContact C-N 3.31Å; D1087-I1089 PolarHBondContact O-N 2.98Å; I1089-L1093 HydrophobicContact CG2-CD1 3.9Å; I1089-L1093 HydrophobicContact CG2-CG 4.33Å; I1089-L1093 WeakPolarHBondContact O-CB 3.43Å; I1089-L1093 VanDerWaalsContact O-CG 3.28Å; I1089-L1093 WeakPolarHBondContact O-CG 3.35Å; I1089-L1093 PolarHBondContact O-N 3.36Å; I1089-F1126 HydrophobicContact CD1-CD2 3.84Å; I1089-F1126 HydrophobicContact CD1-CE2 3.45Å; I1089-F1126 VanDerWaalsContact CD1-CE2 3.45Å; I1089-F1126 HydrophobicContact CD1-CZ 4.17Å; I1089-I1130 HydrophobicContact CB-CG2 4.38Å; I1089-I1130 HydrophobicContact CG1-CG2 4.3Å; I1089-I1130 HydrophobicContact CG2-CG2 4.28Å; I1089-C1131 HydrophobicContact CD1-CB 3.9Å; I1089-C1131 HydrophobicContact CG2-CB 4.24Å; I1089-R1134 HydrophobicContact CG2-CG 4.19Å |
| 1090 | T | 91.7 | Very high | 85.9 | Confident | 56 Ų | 56 | 50.1 Ų | 50.1 | 34% | 0.344 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62 | -47.8 | 173.6 | -76.4 | 0 | 0 | 0 | 0 | 111.3 | T1086 D1087 T1088 L1093 Q1094 R1134 | T1086-T1090 PolarHBondContact O-N 2.99Å; T1086-T1090 VanDerWaalsContact O-N 3.13Å; T1086-T1090 PolarHBondContact O-OG1 3.35Å; D1087-T1090 CarbonylContact O-C 3.58Å; D1087-T1090 WeakPolarHBondContact O-CA 3.31Å; D1087-T1090 WeakPolarHBondContact O-CB 3.39Å; D1087-T1090 PolarHBondContact O-N 3.14Å; T1088-T1090 VanDerWaalsContact C-N 3.34Å; T1088-T1090 PolarHBondContact O-N 2.99Å; T1090-L1093 PolarHBondContact O-N 3.41Å; T1090-Q1094 VanDerWaalsContact O-CB 3.27Å; T1090-Q1094 WeakPolarHBondContact O-CB 3.49Å; T1090-Q1094 PolarHBondContact O-N 3.16Å; T1090-R1134 PolarHBondContact OG1-NH1 3.42Å; T1090-R1134 PolarHBondContact OG1-NH2 3.42Å |
| 1091 | Q | 91.3 | Very high | 87.4 | Confident | 38 Ų | 38 | 47.9 Ų | 47.9 | 18% | 0.178 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.6 | -39.2 | 179.2 | -61.4 | -61.1 | -1.1 | 0 | 0 | 112.1 | E988 L989 D1087 T1088 L1093 Q1094 L1095 | E988-Q1091 HydrophobicContact CB-CG 3.83Å; E988-Q1091 VanDerWaalsContact OE2-CG 3.23Å; E988-Q1091 WeakPolarHBondContact OE2-CG 3.18Å; E988-Q1091 PolarHBondContact OE2-NE2 3.46Å; L989-Q1091 HydrophobicContact CB-CB 4.13Å; L989-Q1091 HydrophobicContact CD1-CB 4.46Å; L989-Q1091 HydrophobicContact CD2-CB 4.43Å; D1087-Q1091 PolarHBondContact O-N 3.2Å; T1088-Q1091 PolarHBondContact O-N 3.31Å; Q1091-L1093 PolarHBondContact O-N 2.79Å; Q1091-Q1094 PolarHBondContact O-N 3.03Å; Q1091-L1095 HydrophobicContact CB-CD1 4.46Å; Q1091-L1095 WeakPolarHBondContact O-CB 3.36Å; Q1091-L1095 PolarHBondContact O-N 2.72Å |
| 1092 | F | 93.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.2 | -41.7 | 175.4 | 178.4 | -131.1 | 0 | 0 | 0 | 112.1 | L989 F993 F997 T1088 C1096 I1097 F1114 M1115 L1118 F1126 | L989-F1092 HydrophobicContact CD1-CB 3.77Å; L989-F1092 HydrophobicContact CD1-CD2 4.44Å; F993-F1092 AromaticContact CE1-CD2 3.55Å; F993-F1092 HydrophobicContact CE1-CD2 3.55Å; F993-F1092 AromaticContact CE1-CE2 3.82Å; F993-F1092 HydrophobicContact CE1-CE2 3.82Å; F993-F1092 HydrophobicContact CE1-CG 4.31Å; F993-F1092 AromaticContact CZ-CD2 3.76Å; F993-F1092 HydrophobicContact CZ-CD2 3.76Å; F993-F1092 AromaticContact CZ-CE2 3.57Å; F993-F1092 HydrophobicContact CZ-CE2 3.57Å; F993-F1092 HydrophobicContact CZ-CG 4.49Å; F993-F1092 HydrophobicContact CZ-CZ 4.16Å; F997-F1092 AromaticContact CD2-CE2 3.93Å; F997-F1092 HydrophobicContact CD2-CE2 3.93Å; F997-F1092 HydrophobicContact CE2-CE2 4.16Å; T1088-F1092 WeakPolarHBondContact O-CB 3.32Å; T1088-F1092 PolarHBondContact O-N 3.48Å; F1092-C1096 HydrophobicContact CD2-CB 3.66Å; F1092-C1096 HydrophobicContact CE2-CB 3.89Å; F1092-C1096 VanDerWaalsContact O-CB 3.25Å; F1092-C1096 WeakPolarHBondContact O-CB 3.49Å; F1092-C1096 PolarHBondContact O-N 2.94Å; F1092-I1097 HydrophobicContact CD1-CG1 4.23Å; F1092-I1097 HydrophobicContact CD2-CG1 4.34Å; F1092-I1097 HydrophobicContact CE1-CD1 4.11Å; F1092-I1097 HydrophobicContact CE1-CG1 3.85Å; F1092-I1097 HydrophobicContact CE2-CD1 4.05Å; F1092-I1097 HydrophobicContact CE2-CG1 3.96Å; F1092-I1097 HydrophobicContact CG-CG1 4.47Å; F1092-I1097 HydrophobicContact CZ-CD1 3.62Å; F1092-I1097 HydrophobicContact CZ-CG1 3.72Å; F1092-I1097 PolarHBondContact O-N 3.42Å; F1092-F1114 HydrophobicContact CZ-CD1 4.36Å; F1092-M1115 HydrophobicContact CE1-CG 4.1Å; F1092-M1115 HydrophobicContact CZ-CG 4.3Å; F1092-L1118 HydrophobicContact CE1-CD1 4.3Å; F1092-L1118 HydrophobicContact CZ-CD1 3.96Å; F1092-F1126 AromaticContact CD1-CE2 3.97Å; F1092-F1126 HydrophobicContact CD1-CE2 3.97Å; F1092-F1126 HydrophobicContact CD1-CZ 4.48Å; F1092-F1126 AromaticContact CE1-CE2 3.94Å; F1092-F1126 HydrophobicContact CE1-CE2 3.94Å; F1092-F1126 HydrophobicContact CE1-CZ 4.09Å |
| 1093 | L | 93.3 | Very high | 90.1 | Very high | 5 Ų | 5 | 31 Ų | 31 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | I | π-helix | trans | -67.4 | -44.4 | 175.2 | -69.2 | 173.2 | 0 | 0 | 0 | 111.8 | I1089 T1090 Q1091 I1097 Y1098 R1134 I1135 | I1089-L1093 HydrophobicContact CG2-CD1 3.9Å; I1089-L1093 HydrophobicContact CG2-CG 4.33Å; I1089-L1093 WeakPolarHBondContact O-CB 3.43Å; I1089-L1093 VanDerWaalsContact O-CG 3.28Å; I1089-L1093 WeakPolarHBondContact O-CG 3.35Å; I1089-L1093 PolarHBondContact O-N 3.36Å; T1090-L1093 PolarHBondContact O-N 3.41Å; Q1091-L1093 PolarHBondContact O-N 2.79Å; L1093-I1097 HydrophobicContact CD2-CB 4.06Å; L1093-I1097 HydrophobicContact CD2-CG1 4.22Å; L1093-I1097 HydrophobicContact CD2-CG2 4.16Å; L1093-Y1098 HydrophobicContact CB-CD2 4.13Å; L1093-Y1098 HydrophobicContact CB-CE2 3.78Å; L1093-Y1098 WeakPolarHBondContact O-CD2 3.37Å; L1093-Y1098 PolarHBondContact O-N 2.78Å; L1093-R1134 HydrophobicContact CD1-CB 3.52Å; L1093-R1134 HydrophobicContact CD1-CG 4.16Å; L1093-I1135 HydrophobicContact CD1-CG1 4.43Å; L1093-I1135 HydrophobicContact CD2-CD1 3.9Å; L1093-I1135 HydrophobicContact CD2-CG1 3.74Å |
| 1094 | Q | 92.5 | Very high | 91.1 | Very high | 115 Ų | 115 | 30.6 Ų | 30.6 | 54% | 0.537 | 17% | 0.165 | S | C | . | . | I | π-helix | trans | -72.1 | -39.3 | -175 | -173.1 | 63.2 | 49.3 | 0 | 0 | 114.4 | T1090 Q1091 P1099 | T1090-Q1094 VanDerWaalsContact O-CB 3.27Å; T1090-Q1094 WeakPolarHBondContact O-CB 3.49Å; T1090-Q1094 PolarHBondContact O-N 3.16Å; Q1091-Q1094 PolarHBondContact O-N 3.03Å; Q1094-P1099 WeakPolarHBondContact O-CD 3.44Å; Q1094-P1099 WeakPolarHBondContact O-CG 3.44Å |
| 1095 | L | 93 | Very high | 91.6 | Very high | 38 Ų | 38 | 27.6 Ų | 27.6 | 20% | 0.199 | 15% | 0.148 | C | C | . | . | I | π-helix | trans | -107.9 | -12.6 | -169.5 | -57.8 | 177.2 | 0 | 0 | 0 | 114.1 | V985 L989 F994 W998 Q1091 | V985-L1095 HydrophobicContact CG1-CD1 3.38Å; L989-L1095 HydrophobicContact CD2-CB 4.31Å; L989-L1095 HydrophobicContact CD2-CD1 4.31Å; F994-L1095 HydrophobicContact CE2-CB 4.28Å; W998-L1095 PolarHBondContact NE1-O 3.25Å; Q1091-L1095 HydrophobicContact CB-CD1 4.46Å; Q1091-L1095 WeakPolarHBondContact O-CB 3.36Å; Q1091-L1095 PolarHBondContact O-N 2.72Å |
| 1096 | C | 95 | Very high | 92 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | I | π-helix | trans | -121.7 | -65.3 | 179.2 | -66.9 | 0 | 0 | 0 | 0 | 111.1 | F997 F1092 R1100 | F997-C1096 HydrophobicContact CD1-CB 3.41Å; F997-C1096 VanDerWaalsContact CD1-CB 3.41Å; F997-C1096 HydrophobicContact CD2-CB 4.19Å; F997-C1096 VanDerWaalsContact CE1-C 3.49Å; F997-C1096 VanDerWaalsContact CE1-CA 3.48Å; F997-C1096 HydrophobicContact CE1-CB 3.36Å; F997-C1096 VanDerWaalsContact CE1-O 3.28Å; F997-C1096 WeakPolarHBondContact CE1-O 3.49Å; F997-C1096 HydrophobicContact CE2-CB 4.14Å; F997-C1096 HydrophobicContact CG-CB 3.83Å; F997-C1096 HydrophobicContact CZ-CB 3.73Å; F997-C1096 WeakPolarHBondContact CZ-O 3.41Å; F1092-C1096 HydrophobicContact CD2-CB 3.66Å; F1092-C1096 HydrophobicContact CE2-CB 3.89Å; F1092-C1096 VanDerWaalsContact O-CB 3.25Å; F1092-C1096 WeakPolarHBondContact O-CB 3.49Å; F1092-C1096 PolarHBondContact O-N 2.94Å; C1096-R1100 WeakPolarHBondContact O-CB 3.5Å; C1096-R1100 PolarHBondContact O-N 2.88Å |
| 1097 | I | 94.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | I | π-helix | trans | -69.2 | -57.4 | -168.4 | -61.8 | -68.2 | 0 | 0 | 0 | 112.9 | F997 F1092 L1093 R1100 V1101 A1111 M1115 F1157 | F997-I1097 HydrophobicContact CE2-CD1 3.76Å; F997-I1097 HydrophobicContact CZ-CD1 4.11Å; F1092-I1097 HydrophobicContact CD1-CG1 4.23Å; F1092-I1097 HydrophobicContact CD2-CG1 4.34Å; F1092-I1097 HydrophobicContact CE1-CD1 4.11Å; F1092-I1097 HydrophobicContact CE1-CG1 3.85Å; F1092-I1097 HydrophobicContact CE2-CD1 4.05Å; F1092-I1097 HydrophobicContact CE2-CG1 3.96Å; F1092-I1097 HydrophobicContact CG-CG1 4.47Å; F1092-I1097 HydrophobicContact CZ-CD1 3.62Å; F1092-I1097 HydrophobicContact CZ-CG1 3.72Å; F1092-I1097 PolarHBondContact O-N 3.42Å; L1093-I1097 HydrophobicContact CD2-CB 4.06Å; L1093-I1097 HydrophobicContact CD2-CG1 4.22Å; L1093-I1097 HydrophobicContact CD2-CG2 4.16Å; I1097-R1100 PolarHBondContact O-N 2.8Å; I1097-V1101 HydrophobicContact CG2-CG2 3.95Å; I1097-V1101 WeakPolarHBondContact O-CB 3.41Å; I1097-V1101 VanDerWaalsContact O-CG2 3.23Å; I1097-V1101 WeakPolarHBondContact O-CG2 3.45Å; I1097-V1101 PolarHBondContact O-N 3.41Å; I1097-A1111 HydrophobicContact CD1-CB 3.94Å; I1097-M1115 HydrophobicContact CD1-CG 3.95Å; I1097-M1115 HydrophobicContact CD1-SD 4.02Å; I1097-M1115 HydrophobicContact CG1-SD 4.42Å; I1097-F1157 HydrophobicContact CG2-CE1 4.32Å; I1097-F1157 HydrophobicContact CG2-CE2 3.93Å; I1097-F1157 HydrophobicContact CG2-CZ 3.61Å |
| 1098 | Y | 93.6 | Very high | 92.7 | Very high | 44 Ų | 44 | 21.6 Ų | 21.6 | 17% | 0.173 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62 | -46.5 | -174.7 | -66.6 | -53.3 | 0 | 0 | 0 | 113.5 | L1093 R1100 V1101 C1102 P1142 Y1154 | L1093-Y1098 HydrophobicContact CB-CD2 4.13Å; L1093-Y1098 HydrophobicContact CB-CE2 3.78Å; L1093-Y1098 WeakPolarHBondContact O-CD2 3.37Å; L1093-Y1098 PolarHBondContact O-N 2.78Å; Y1098-R1100 VanDerWaalsContact C-N 3.32Å; Y1098-R1100 PolarHBondContact O-N 3.34Å; Y1098-V1101 PolarHBondContact O-N 3.45Å; Y1098-C1102 PolarHBondContact O-N 2.97Å; Y1098-C1102 VanDerWaalsContact O-N 3.13Å; Y1098-P1142 HydrophobicContact CD1-CG 4.49Å; Y1098-P1142 HydrophobicContact CE1-CG 4.02Å; Y1098-Y1154 HydrophobicContact CE1-CE2 4.25Å |
| 1099 | P | 93.7 | Very high | 92.9 | Very high | 45 Ų | 45 | 22.7 Ų | 22.7 | 29% | 0.292 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -60.1 | -41.2 | 176.2 | -23.1 | 34.3 | 0 | 0 | 0 | 112.3 | W998 Q1094 F1103 | W998-P1099 HydrophobicContact CH2-CB 4.1Å; W998-P1099 HydrophobicContact CZ2-CB 4.15Å; Q1094-P1099 WeakPolarHBondContact O-CD 3.44Å; Q1094-P1099 WeakPolarHBondContact O-CG 3.44Å; P1099-F1103 PolarHBondContact O-N 3.1Å |
| 1100 | R | 94.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 0% | 0.004 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -71 | -38.9 | -179.1 | -166.2 | 156.9 | -173.2 | 174.9 | -2.7 | 112.5 | R928 F997 W998 L1000 C1096 I1097 Y1098 C1102 F1103 D1107 Y1110 | R928-R1100 VanDerWaalsContact NH2-NH2 3.13Å; F997-R1100 HydrophobicContact CE1-CB 3.94Å; F997-R1100 VanDerWaalsContact CE1-CD 3.46Å; F997-R1100 HydrophobicContact CE1-CG 4.27Å; F997-R1100 HydrophobicContact CZ-CB 3.86Å; F997-R1100 HydrophobicContact CZ-CG 4.15Å; F997-R1100 PolarHBondContact O-NH1 2.96Å; W998-R1100 HydrophobicContact CH2-CB 3.62Å; W998-R1100 HydrophobicContact CH2-CG 4.22Å; W998-R1100 HydrophobicContact CZ2-CB 4.33Å; W998-R1100 HydrophobicContact CZ3-CB 3.82Å; W998-R1100 HydrophobicContact CZ3-CG 3.88Å; L1000-R1100 VanDerWaalsContact O-CZ 3.23Å; L1000-R1100 PolarHBondContact O-NH1 3.35Å; L1000-R1100 PolarHBondContact O-NH2 2.88Å; C1096-R1100 WeakPolarHBondContact O-CB 3.5Å; C1096-R1100 PolarHBondContact O-N 2.88Å; I1097-R1100 PolarHBondContact O-N 2.8Å; Y1098-R1100 VanDerWaalsContact C-N 3.32Å; Y1098-R1100 PolarHBondContact O-N 3.34Å; R1100-C1102 VanDerWaalsContact C-N 3.33Å; R1100-C1102 PolarHBondContact O-N 3.09Å; R1100-F1103 PolarHBondContact O-N 3.27Å; R1100-D1107 HydrophobicContact CG-CB 3.71Å; R1100-D1107 IonicContact CZ-OD1 3.97Å; R1100-D1107 IonicContact NE-OD1 3.59Å; R1100-D1107 PolarHBondContact NE-OD1 2.96Å; R1100-D1107 IonicContact NH2-OD1 2.75Å; R1100-D1107 PolarHBondContact NH2-OD1 3.41Å; R1100-D1107 WeakPolarHBondContact O-CB 3.27Å; R1100-Y1110 VanDerWaalsContact NE-CD1 3.28Å |
| 1101 | V | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.6 | -35.2 | 176.6 | 169 | 0 | 0 | 0 | 0 | 112.4 | I1097 Y1098 F1103 A1108 A1111 R1153 Y1154 F1157 | I1097-V1101 HydrophobicContact CG2-CG2 3.95Å; I1097-V1101 WeakPolarHBondContact O-CB 3.41Å; I1097-V1101 VanDerWaalsContact O-CG2 3.23Å; I1097-V1101 WeakPolarHBondContact O-CG2 3.45Å; I1097-V1101 PolarHBondContact O-N 3.41Å; Y1098-V1101 PolarHBondContact O-N 3.45Å; V1101-F1103 VanDerWaalsContact C-N 3.34Å; V1101-A1108 HydrophobicContact CG1-CB 4.22Å; V1101-A1111 HydrophobicContact CG2-CB 3.49Å; V1101-A1111 VanDerWaalsContact CG2-CB 3.49Å; V1101-R1153 WeakPolarHBondContact O-CB 3.37Å; V1101-Y1154 HydrophobicContact CG1-CD2 3.98Å; V1101-F1157 HydrophobicContact CB-CB 4.46Å; V1101-F1157 HydrophobicContact CB-CG 4.4Å; V1101-F1157 HydrophobicContact CG1-CB 3.56Å; V1101-F1157 HydrophobicContact CG1-CD1 4.07Å; V1101-F1157 HydrophobicContact CG1-CG 3.83Å; V1101-F1157 HydrophobicContact CG2-CB 3.99Å; V1101-F1157 HydrophobicContact CG2-CD1 4.06Å; V1101-F1157 HydrophobicContact CG2-CD2 3.49Å; V1101-F1157 VanDerWaalsContact CG2-CD2 3.49Å; V1101-F1157 HydrophobicContact CG2-CE1 4.43Å; V1101-F1157 HydrophobicContact CG2-CE2 3.9Å; V1101-F1157 HydrophobicContact CG2-CG 3.57Å; V1101-F1157 HydrophobicContact CG2-CZ 4.34Å |
| 1102 | C | 93.2 | Very high | 93.5 | Very high | 28 Ų | 28 | 18.6 Ų | 18.6 | 19% | 0.189 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -74.3 | -22.5 | 175.1 | -69.9 | 0 | 0 | 0 | 0 | 113.2 | Y1098 R1100 E1150 R1153 | Y1098-C1102 PolarHBondContact O-N 2.97Å; Y1098-C1102 VanDerWaalsContact O-N 3.13Å; R1100-C1102 VanDerWaalsContact C-N 3.33Å; R1100-C1102 PolarHBondContact O-N 3.09Å; C1102-E1150 HydrophobicContact CB-CB 4.43Å; C1102-E1150 HydrophobicContact CB-CG 3.95Å; C1102-R1153 VanDerWaalsContact O-CD 3.24Å; C1102-R1153 WeakPolarHBondContact O-CD 3.34Å; C1102-R1153 PolarHBondContact O-NH1 3.09Å |
| 1103 | F | 92.4 | Very high | 93.5 | Very high | 3 Ų | 3 | 20.2 Ų | 20.2 | 1% | 0.013 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -72.1 | -49 | -166.7 | -166.1 | -101.7 | 0 | 0 | 0 | 115.2 | Q883 V887 D921 C925 P1099 R1100 V1101 R1153 | Q883-F1103 PolarHBondContact NE2-O 3.45Å; V887-F1103 HydrophobicContact CG2-CE1 4Å; V887-F1103 HydrophobicContact CG2-CZ 4.09Å; D921-F1103 HydrophobicContact CB-CD2 3.63Å; D921-F1103 HydrophobicContact CB-CE2 4.01Å; D921-F1103 HydrophobicContact CB-CG 4.22Å; D921-F1103 WeakPolarHBondContact OD2-CD2 3.37Å; D921-F1103 WeakPolarHBondContact OD2-CE2 3.48Å; C925-F1103 HydrophobicContact CB-CE1 3.69Å; C925-F1103 HydrophobicContact CB-CZ 3.88Å; C925-F1103 VanDerWaalsContact SG-CE1 3.57Å; P1099-F1103 PolarHBondContact O-N 3.1Å; R1100-F1103 PolarHBondContact O-N 3.27Å; V1101-F1103 VanDerWaalsContact C-N 3.34Å; F1103-R1153 PolarHBondContact O-NH1 3.4Å |
| 1104 | T | 91.7 | Very high | 93.6 | Very high | 16 Ų | 16 | 20 Ų | 20 | 10% | 0.098 | 11% | 0.107 | C | C | . | . | trans | -148.8 | 165.9 | 173.6 | 68.3 | 0 | 0 | 0 | 0 | 111.7 | V887 T1106 D1107 A1108 | V887-T1104 HydrophobicContact CG1-CG2 3.97Å; V887-T1104 HydrophobicContact CG2-CG2 3.92Å; T1104-T1106 VanDerWaalsContact C-N 3.32Å; T1104-T1106 PolarHBondContact O-N 3.47Å; T1104-T1106 PolarHBondContact OG1-OG1 3.46Å; T1104-T1106 VanDerWaalsContact OG1-OG1 3.1Å; T1104-D1107 PolarHBondContact O-N 3.01Å; T1104-D1107 VanDerWaalsContact OG1-CB 3.25Å; T1104-D1107 WeakPolarHBondContact OG1-CB 3.47Å; T1104-D1107 VanDerWaalsContact OG1-CG 3.28Å; T1104-D1107 PolarHBondContact OG1-N 3.28Å; T1104-D1107 PolarHBondContact OG1-OD2 3.25Å; T1104-A1108 WeakPolarHBondContact O-CB 3.24Å; T1104-A1108 PolarHBondContact O-N 3.07Å | ||
| 1105 | A | 90.7 | Very high | 93.7 | Very high | 8 Ų | 8 | 15 Ų | 15 | 7% | 0.066 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -65.5 | -30.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.5 | L809 I1109 | L809-A1105 HydrophobicContact CD2-CB 4.15Å; A1105-I1109 PolarHBondContact O-N 2.89Å |
| 1106 | T | 89.8 | Confident | 93.7 | Very high | 34 Ų | 34 | 15.4 Ų | 15.4 | 21% | 0.209 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -77.5 | -40.1 | 174.6 | 39.5 | 0 | 0 | 0 | 0 | 112.1 | L809 M812 T1104 A1108 I1109 Y1110 | L809-T1106 HydrophobicContact CD2-CG2 4.27Å; M812-T1106 HydrophobicContact CB-CG2 3.68Å; M812-T1106 HydrophobicContact CE-CG2 3.73Å; M812-T1106 HydrophobicContact CG-CG2 4.23Å; M812-T1106 HydrophobicContact SD-CG2 3.47Å; M812-T1106 WeakPolarHBondContact SD-CG2 3.22Å; T1104-T1106 VanDerWaalsContact C-N 3.32Å; T1104-T1106 PolarHBondContact O-N 3.47Å; T1104-T1106 PolarHBondContact OG1-OG1 3.46Å; T1104-T1106 VanDerWaalsContact OG1-OG1 3.1Å; T1106-A1108 PolarHBondContact O-N 3.33Å; T1106-I1109 PolarHBondContact O-N 3.04Å; T1106-I1109 VanDerWaalsContact O-N 3.15Å; T1106-Y1110 WeakPolarHBondContact O-CB 3.45Å; T1106-Y1110 PolarHBondContact O-N 3.02Å |
| 1107 | D | 93.2 | Very high | 93.6 | Very high | 6 Ų | 6 | 15.6 Ų | 15.6 | 3% | 0.032 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63.1 | -31.9 | 174.5 | -76.4 | -66.2 | 0 | 0 | 0 | 112.1 | R928 R1100 T1104 A1111 | R928-D1107 IonicContact CZ-OD1 3.14Å; R928-D1107 IonicContact NH1-OD1 2.7Å; R928-D1107 PolarHBondContact NH1-OD1 3.35Å; R928-D1107 IonicContact NH1-OD2 3.31Å; R928-D1107 IonicContact NH2-OD1 2.7Å; R928-D1107 PolarHBondContact NH2-OD1 3.33Å; R1100-D1107 HydrophobicContact CG-CB 3.71Å; R1100-D1107 IonicContact CZ-OD1 3.97Å; R1100-D1107 IonicContact NE-OD1 3.59Å; R1100-D1107 PolarHBondContact NE-OD1 2.96Å; R1100-D1107 IonicContact NH2-OD1 2.75Å; R1100-D1107 PolarHBondContact NH2-OD1 3.41Å; R1100-D1107 WeakPolarHBondContact O-CB 3.27Å; T1104-D1107 PolarHBondContact O-N 3.01Å; T1104-D1107 VanDerWaalsContact OG1-CB 3.25Å; T1104-D1107 WeakPolarHBondContact OG1-CB 3.47Å; T1104-D1107 VanDerWaalsContact OG1-CG 3.28Å; T1104-D1107 PolarHBondContact OG1-N 3.28Å; T1104-D1107 PolarHBondContact OG1-OD2 3.25Å; D1107-A1111 WeakPolarHBondContact O-CB 3.45Å; D1107-A1111 PolarHBondContact O-N 2.98Å |
| 1108 | A | 94.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -65.1 | -38.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | V1101 T1104 T1106 R1153 F1157 | V1101-A1108 HydrophobicContact CG1-CB 4.22Å; T1104-A1108 WeakPolarHBondContact O-CB 3.24Å; T1104-A1108 PolarHBondContact O-N 3.07Å; T1106-A1108 PolarHBondContact O-N 3.33Å; A1108-R1153 HydrophobicContact CB-CB 4.35Å; A1108-F1157 HydrophobicContact CB-CB 4.22Å |
| 1109 | I | 93.3 | Very high | 93.5 | Very high | 38 Ų | 38 | 13.9 Ų | 13.9 | 20% | 0.195 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -72.6 | -43.9 | 173.9 | -64.1 | -57.2 | 0 | 0 | 0 | 110.8 | L809 A1105 T1106 A1111 A1112 Q1113 R1156 A1160 | L809-I1109 HydrophobicContact CD1-CD1 4.38Å; L809-I1109 HydrophobicContact CD1-CG1 3.95Å; A1105-I1109 PolarHBondContact O-N 2.89Å; T1106-I1109 PolarHBondContact O-N 3.04Å; T1106-I1109 VanDerWaalsContact O-N 3.15Å; I1109-A1111 VanDerWaalsContact C-N 3.27Å; I1109-A1111 PolarHBondContact O-N 2.66Å; I1109-A1112 PolarHBondContact O-N 2.64Å; I1109-A1112 VanDerWaalsContact O-N 3.14Å; I1109-Q1113 HydrophobicContact CG2-CG 4.19Å; I1109-Q1113 WeakPolarHBondContact O-CG 3.17Å; I1109-Q1113 PolarHBondContact O-N 3.11Å; I1109-R1156 HydrophobicContact CD1-CB 4.42Å; I1109-A1160 HydrophobicContact CD1-CB 4.17Å |
| 1110 | Y | 95 | Very high | 93.4 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 0% | 0.004 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -53.5 | -43.6 | 174.3 | 167.4 | -88.4 | 0 | 0 | 0 | 111.9 | F997 L1000 Q1001 L1005 R1100 T1106 A1112 Q1113 F1114 | F997-Y1110 HydrophobicContact CD2-CE1 4.09Å; F997-Y1110 AromaticContact CE2-CE1 3.79Å; F997-Y1110 HydrophobicContact CE2-CE1 3.79Å; F997-Y1110 HydrophobicContact CZ-CE1 4.16Å; F997-Y1110 PolarHBondContact O-OH 3.31Å; L1000-Y1110 HydrophobicContact CB-CE2 3.95Å; Q1001-Y1110 WeakPolarHBondContact O-CD2 3.43Å; L1005-Y1110 HydrophobicContact CD1-CD2 3.7Å; L1005-Y1110 HydrophobicContact CD1-CE2 3.49Å; L1005-Y1110 VanDerWaalsContact CD1-CE2 3.49Å; L1005-Y1110 HydrophobicContact CG-CD2 4.36Å; L1005-Y1110 HydrophobicContact CG-CE2 4.04Å; R1100-Y1110 VanDerWaalsContact NE-CD1 3.28Å; T1106-Y1110 WeakPolarHBondContact O-CB 3.45Å; T1106-Y1110 PolarHBondContact O-N 3.02Å; Y1110-A1112 VanDerWaalsContact C-N 3.3Å; Y1110-A1112 PolarHBondContact O-N 3Å; Y1110-Q1113 PolarHBondContact O-N 3.36Å; Y1110-F1114 HydrophobicContact CE1-CB 4.06Å; Y1110-F1114 HydrophobicContact CE1-CG 4.41Å; Y1110-F1114 HydrophobicContact CE2-CB 4.43Å; Y1110-F1114 HydrophobicContact CE2-CD2 4.35Å; Y1110-F1114 AromaticContact CZ-CD2 3.83Å; Y1110-F1114 WeakPolarHBondContact O-CB 3.28Å; Y1110-F1114 PolarHBondContact O-N 3.48Å; Y1110-F1114 WeakPolarHBondContact OH-CD2 3.49Å |
| 1111 | A | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.9 | -40.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1097 V1101 D1107 I1109 M1115 F1157 | I1097-A1111 HydrophobicContact CD1-CB 3.94Å; V1101-A1111 HydrophobicContact CG2-CB 3.49Å; V1101-A1111 VanDerWaalsContact CG2-CB 3.49Å; D1107-A1111 WeakPolarHBondContact O-CB 3.45Å; D1107-A1111 PolarHBondContact O-N 2.98Å; I1109-A1111 VanDerWaalsContact C-N 3.27Å; I1109-A1111 PolarHBondContact O-N 2.66Å; A1111-M1115 WeakPolarHBondContact O-CG 3.47Å; A1111-M1115 PolarHBondContact O-N 3.43Å; A1111-F1157 HydrophobicContact CB-CD2 4.05Å; A1111-F1157 HydrophobicContact CB-CE2 4.05Å |
| 1112 | A | 95 | Very high | 93 | Very high | 9 Ų | 9 | 19.6 Ų | 19.6 | 7% | 0.074 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -69.6 | -43.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1109 Y1110 M1115 H1116 F1157 A1160 V1161 | I1109-A1112 PolarHBondContact O-N 2.64Å; I1109-A1112 VanDerWaalsContact O-N 3.14Å; Y1110-A1112 VanDerWaalsContact C-N 3.3Å; Y1110-A1112 PolarHBondContact O-N 3Å; A1112-M1115 PolarHBondContact O-N 3.44Å; A1112-H1116 PolarHBondContact O-N 3.07Å; A1112-F1157 HydrophobicContact CB-CD2 4.02Å; A1112-F1157 HydrophobicContact CB-CE2 4.29Å; A1112-A1160 HydrophobicContact CB-CB 3.72Å; A1112-V1161 HydrophobicContact CB-CG2 3.81Å |
| 1113 | Q | 94.3 | Very high | 92.7 | Very high | 33 Ų | 33 | 18.4 Ų | 18.4 | 15% | 0.154 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.6 | -45 | 175.2 | -70.6 | 171.6 | -11.6 | 0 | 0 | 112.2 | S1002 L1005 V1006 I1109 Y1110 H1116 V1117 | S1002-Q1113 PolarHBondContact OG-NE2 2.82Å; S1002-Q1113 PolarHBondContact OG-OE1 2.73Å; S1002-Q1113 VanDerWaalsContact OG-OE1 3.06Å; L1005-Q1113 HydrophobicContact CD1-CB 3.96Å; V1006-Q1113 HydrophobicContact CG2-CG 4.22Å; I1109-Q1113 HydrophobicContact CG2-CG 4.19Å; I1109-Q1113 WeakPolarHBondContact O-CG 3.17Å; I1109-Q1113 PolarHBondContact O-N 3.11Å; Y1110-Q1113 PolarHBondContact O-N 3.36Å; Q1113-H1116 CarbonylContact O-C 3.48Å; Q1113-H1116 WeakPolarHBondContact O-CA 3.37Å; Q1113-H1116 WeakPolarHBondContact O-CB 3.5Å; Q1113-H1116 PolarHBondContact O-N 2.9Å; Q1113-H1116 VanDerWaalsContact O-N 3.12Å; Q1113-V1117 WeakPolarHBondContact O-CG2 3.3Å; Q1113-V1117 PolarHBondContact O-N 3.15Å |
| 1114 | F | 95.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -66.5 | -39.9 | -179.4 | -169 | -95 | 0 | 0 | 0 | 111.2 | F993 F997 L1000 L1005 F1092 Y1110 H1116 V1117 L1118 | F993-F1114 AromaticContact CE2-CE1 3.81Å; F993-F1114 HydrophobicContact CE2-CE1 3.81Å; F993-F1114 HydrophobicContact CE2-CZ 4.18Å; F993-F1114 AromaticContact CZ-CE1 4Å; F993-F1114 HydrophobicContact CZ-CE1 4Å; F997-F1114 HydrophobicContact CB-CE1 4.18Å; F997-F1114 HydrophobicContact CB-CZ 4.27Å; F997-F1114 AromaticContact CD2-CD1 3.57Å; F997-F1114 HydrophobicContact CD2-CD1 3.57Å; F997-F1114 AromaticContact CD2-CE1 3.73Å; F997-F1114 HydrophobicContact CD2-CE1 3.73Å; F997-F1114 HydrophobicContact CD2-CG 4.12Å; F997-F1114 HydrophobicContact CD2-CZ 4.42Å; F997-F1114 HydrophobicContact CE2-CD1 4.17Å; F997-F1114 HydrophobicContact CG-CE1 4.46Å; L1000-F1114 HydrophobicContact CD1-CE2 4.29Å; L1005-F1114 HydrophobicContact CD1-CB 3.94Å; L1005-F1114 HydrophobicContact CD1-CD2 4.07Å; L1005-F1114 HydrophobicContact CD2-CD2 4.28Å; F1092-F1114 HydrophobicContact CZ-CD1 4.36Å; Y1110-F1114 HydrophobicContact CE1-CB 4.06Å; Y1110-F1114 HydrophobicContact CE1-CG 4.41Å; Y1110-F1114 HydrophobicContact CE2-CB 4.43Å; Y1110-F1114 HydrophobicContact CE2-CD2 4.35Å; Y1110-F1114 AromaticContact CZ-CD2 3.83Å; Y1110-F1114 WeakPolarHBondContact O-CB 3.28Å; Y1110-F1114 PolarHBondContact O-N 3.48Å; Y1110-F1114 WeakPolarHBondContact OH-CD2 3.49Å; F1114-H1116 VanDerWaalsContact C-N 3.29Å; F1114-H1116 PolarHBondContact O-N 3.22Å; F1114-V1117 PolarHBondContact O-N 2.7Å; F1114-L1118 HydrophobicContact CD1-CD1 3.89Å; F1114-L1118 HydrophobicContact CD1-CG 3.99Å; F1114-L1118 HydrophobicContact CE1-CD1 3.7Å; F1114-L1118 HydrophobicContact CE1-CD2 3.93Å; F1114-L1118 HydrophobicContact CE1-CG 3.82Å; F1114-L1118 HydrophobicContact CZ-CD2 4.17Å; F1114-L1118 HydrophobicContact CZ-CG 4.46Å; F1114-L1118 WeakPolarHBondContact O-CG 3.41Å; F1114-L1118 PolarHBondContact O-N 3.24Å |
| 1115 | M | 94 | Very high | 91.7 | Very high | 12 Ų | 12 | 24.2 Ų | 24.2 | 6% | 0.059 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57.5 | -40.8 | 169.7 | -77.6 | 175.6 | 48.2 | 0 | 0 | 112.5 | F1092 I1097 A1111 A1112 H1119 L1132 I1135 F1157 V1161 | F1092-M1115 HydrophobicContact CE1-CG 4.1Å; F1092-M1115 HydrophobicContact CZ-CG 4.3Å; I1097-M1115 HydrophobicContact CD1-CG 3.95Å; I1097-M1115 HydrophobicContact CD1-SD 4.02Å; I1097-M1115 HydrophobicContact CG1-SD 4.42Å; A1111-M1115 WeakPolarHBondContact O-CG 3.47Å; A1111-M1115 PolarHBondContact O-N 3.43Å; A1112-M1115 PolarHBondContact O-N 3.44Å; M1115-H1119 PolarHBondContact O-N 3.43Å; M1115-L1132 HydrophobicContact CE-CD2 3.94Å; M1115-I1135 HydrophobicContact CE-CD1 3.49Å; M1115-I1135 VanDerWaalsContact CE-CD1 3.49Å; M1115-I1135 HydrophobicContact SD-CD1 3.85Å; M1115-F1157 HydrophobicContact SD-CE2 4.01Å; M1115-F1157 HydrophobicContact SD-CZ 4Å; M1115-V1161 HydrophobicContact CE-CG2 4.43Å |
| 1116 | H | 93.5 | Very high | 91.5 | Very high | 46 Ų | 46 | 24.2 Ų | 24.2 | 21% | 0.213 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.1 | -41.9 | 174.8 | -171 | -173.2 | 0 | 0 | 0 | 111.5 | A1112 Q1113 F1114 H1119 Q1120 L1164 | A1112-H1116 PolarHBondContact O-N 3.07Å; Q1113-H1116 CarbonylContact O-C 3.48Å; Q1113-H1116 WeakPolarHBondContact O-CA 3.37Å; Q1113-H1116 WeakPolarHBondContact O-CB 3.5Å; Q1113-H1116 PolarHBondContact O-N 2.9Å; Q1113-H1116 VanDerWaalsContact O-N 3.12Å; F1114-H1116 VanDerWaalsContact C-N 3.29Å; F1114-H1116 PolarHBondContact O-N 3.22Å; H1116-H1119 WeakPolarHBondContact O-CA 3.37Å; H1116-H1119 WeakPolarHBondContact O-CB 3.5Å; H1116-H1119 PolarHBondContact O-N 3.43Å; H1116-H1119 VanDerWaalsContact O-N 3.12Å; H1116-Q1120 PolarHBondContact CE1-NE2 2.57Å; H1116-Q1120 PolarHBondContact NE2-NE2 3.38Å; H1116-Q1120 WeakPolarHBondContact O-CG 3.38Å; H1116-Q1120 PolarHBondContact O-N 3.25Å; H1116-L1164 HydrophobicContact CB-CD2 3.83Å; H1116-L1164 VanDerWaalsContact CE1-CD1 3.5Å; H1116-L1164 WeakPolarHBondContact CE1-CD1 3.49Å |
| 1117 | V | 93.2 | Very high | 91.4 | Very high | 4 Ų | 4 | 22.8 Ų | 22.8 | 2% | 0.024 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62 | -45 | 176.2 | 168.3 | 0 | 0 | 0 | 0 | 111.3 | L1005 L1070 Q1113 F1114 H1119 Q1120 L1121 | L1005-V1117 HydrophobicContact CB-CG2 4.4Å; L1005-V1117 HydrophobicContact CD1-CG2 4.47Å; L1005-V1117 HydrophobicContact CD2-CG2 4.44Å; L1070-V1117 HydrophobicContact CD1-CG1 4.07Å; Q1113-V1117 WeakPolarHBondContact O-CG2 3.3Å; Q1113-V1117 PolarHBondContact O-N 3.15Å; F1114-V1117 PolarHBondContact O-N 2.7Å; V1117-H1119 PolarHBondContact O-N 3.02Å; V1117-Q1120 PolarHBondContact O-N 2.95Å; V1117-Q1120 VanDerWaalsContact O-N 3.13Å; V1117-L1121 HydrophobicContact CG1-CD1 3.71Å; V1117-L1121 HydrophobicContact CG1-CG 4.03Å; V1117-L1121 WeakPolarHBondContact O-CB 3.31Å; V1117-L1121 WeakPolarHBondContact O-CG 3.46Å; V1117-L1121 PolarHBondContact O-N 3.1Å |
| 1118 | L | 92.6 | Very high | 91.4 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.01 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.7 | -31.3 | 174.3 | -67.5 | 178.8 | 0 | 0 | 0 | 113.2 | F993 W1077 F1092 F1114 T1123 F1126 | F993-L1118 HydrophobicContact CE2-CD1 3.84Å; F993-L1118 HydrophobicContact CE2-CD2 3.86Å; F993-L1118 HydrophobicContact CE2-CG 4.49Å; F993-L1118 HydrophobicContact CZ-CD1 3.87Å; W1077-L1118 HydrophobicContact CE3-CD2 4.02Å; W1077-L1118 HydrophobicContact CZ3-CD2 3.68Å; F1092-L1118 HydrophobicContact CE1-CD1 4.3Å; F1092-L1118 HydrophobicContact CZ-CD1 3.96Å; F1114-L1118 HydrophobicContact CD1-CD1 3.89Å; F1114-L1118 HydrophobicContact CD1-CG 3.99Å; F1114-L1118 HydrophobicContact CE1-CD1 3.7Å; F1114-L1118 HydrophobicContact CE1-CD2 3.93Å; F1114-L1118 HydrophobicContact CE1-CG 3.82Å; F1114-L1118 HydrophobicContact CZ-CD2 4.17Å; F1114-L1118 HydrophobicContact CZ-CG 4.46Å; F1114-L1118 WeakPolarHBondContact O-CG 3.41Å; F1114-L1118 PolarHBondContact O-N 3.24Å; L1118-T1123 WeakPolarHBondContact O-CB 3.47Å; L1118-T1123 PolarHBondContact O-N 3.02Å; L1118-T1123 PolarHBondContact O-OG1 2.83Å; L1118-T1123 VanDerWaalsContact O-OG1 3.12Å; L1118-F1126 HydrophobicContact CB-CD1 4.21Å; L1118-F1126 HydrophobicContact CB-CE1 3.99Å; L1118-F1126 HydrophobicContact CB-CZ 4.41Å; L1118-F1126 HydrophobicContact CD1-CD2 4.48Å; L1118-F1126 HydrophobicContact CD1-CE1 4.35Å; L1118-F1126 HydrophobicContact CD1-CE2 4.02Å; L1118-F1126 HydrophobicContact CD1-CZ 3.95Å |
| 1119 | H | 92.4 | Very high | 91.2 | Very high | 5 Ų | 5 | 24.1 Ų | 24.1 | 2% | 0.023 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -71.6 | -52.7 | 172.1 | -177.8 | 67.1 | 0 | 0 | 0 | 111.3 | M1115 H1116 V1117 L1121 K1122 T1128 W1168 E1178 Y1182 F1185 | M1115-H1119 PolarHBondContact O-N 3.43Å; H1116-H1119 WeakPolarHBondContact O-CA 3.37Å; H1116-H1119 WeakPolarHBondContact O-CB 3.5Å; H1116-H1119 PolarHBondContact O-N 3.43Å; H1116-H1119 VanDerWaalsContact O-N 3.12Å; V1117-H1119 PolarHBondContact O-N 3.02Å; H1119-L1121 VanDerWaalsContact C-N 3.29Å; H1119-L1121 PolarHBondContact O-N 3.18Å; H1119-K1122 PolarHBondContact O-N 3.32Å; H1119-T1128 HydrophobicContact CB-CG2 4.12Å; H1119-T1128 PolarHBondContact ND1-OG1 2.99Å; H1119-W1168 AromaticContact CD2-CH2 3.64Å; H1119-W1168 AromaticContact CD2-CZ2 3.4Å; H1119-W1168 WeakPolarHBondContact CD2-CZ2 3.31Å; H1119-W1168 AromaticContact NE2-CH2 3.9Å; H1119-W1168 AromaticContact NE2-CZ2 3.65Å; H1119-E1178 PolarHBondContact NE2-O 3.15Å; H1119-Y1182 AromaticContact CE1-CD1 3.78Å; H1119-Y1182 AromaticContact CE1-CG 3.86Å; H1119-Y1182 AromaticContact NE2-CD1 3.84Å; H1119-Y1182 WeakPolarHBondContact O-CD1 3.47Å; H1119-F1185 AromaticContact CE1-CD2 3.58Å; H1119-F1185 AromaticContact CE1-CE2 3.44Å; H1119-F1185 VanDerWaalsContact CE1-CE2 3.44Å; H1119-F1185 WeakPolarHBondContact CE1-CE2 3.35Å |
| 1120 | Q | 91.9 | Very high | 91.1 | Very high | 78 Ų | 78 | 24.9 Ų | 24.9 | 36% | 0.364 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -54.7 | -40.4 | 178.3 | -71.3 | -178.9 | 2.8 | 0 | 0 | 113.2 | H1116 V1117 K1122 | H1116-Q1120 PolarHBondContact CE1-NE2 2.57Å; H1116-Q1120 PolarHBondContact NE2-NE2 3.38Å; H1116-Q1120 WeakPolarHBondContact O-CG 3.38Å; H1116-Q1120 PolarHBondContact O-N 3.25Å; V1117-Q1120 PolarHBondContact O-N 2.95Å; V1117-Q1120 VanDerWaalsContact O-N 3.13Å; Q1120-K1122 PolarHBondContact O-N 3Å; Q1120-K1122 VanDerWaalsContact O-N 3.17Å |
| 1121 | L | 91.1 | Very high | 91 | Very high | 11 Ų | 11 | 24.9 Ų | 24.9 | 6% | 0.058 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -17 | 179.8 | -69.3 | 170.3 | 0 | 0 | 0 | 113.5 | L1070 M1071 R1074 W1077 V1117 H1119 T1123 | L1070-L1121 HydrophobicContact CB-CD1 3.81Å; L1070-L1121 HydrophobicContact CB-CD2 4.26Å; M1071-L1121 HydrophobicContact CB-CD2 4.37Å; M1071-L1121 HydrophobicContact CG-CD2 3.48Å; M1071-L1121 VanDerWaalsContact CG-CD2 3.48Å; M1071-L1121 HydrophobicContact SD-CD2 3.46Å; M1071-L1121 WeakPolarHBondContact SD-CD2 3.36Å; R1074-L1121 HydrophobicContact CB-CB 4.42Å; R1074-L1121 WeakPolarHBondContact CD-O 3.47Å; R1074-L1121 PolarHBondContact NH1-O 2.88Å; W1077-L1121 HydrophobicContact CZ3-CD1 4.26Å; V1117-L1121 HydrophobicContact CG1-CD1 3.71Å; V1117-L1121 HydrophobicContact CG1-CG 4.03Å; V1117-L1121 WeakPolarHBondContact O-CB 3.31Å; V1117-L1121 WeakPolarHBondContact O-CG 3.46Å; V1117-L1121 PolarHBondContact O-N 3.1Å; H1119-L1121 VanDerWaalsContact C-N 3.29Å; H1119-L1121 PolarHBondContact O-N 3.18Å; L1121-T1123 VanDerWaalsContact C-N 3.29Å |
| 1122 | K | 90.1 | Very high | 90.9 | Very high | 78 Ų | 78 | 25 Ų | 25 | 34% | 0.339 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 36 | -167.2 | -61.9 | -175 | 177.1 | -167.8 | 0 | 113 | H1119 Q1120 A1124 Y1182 P1183 | H1119-K1122 PolarHBondContact O-N 3.32Å; Q1120-K1122 PolarHBondContact O-N 3Å; Q1120-K1122 VanDerWaalsContact O-N 3.17Å; K1122-A1124 PolarHBondContact O-N 3.18Å; K1122-Y1182 HydrophobicContact CD-CD1 4.07Å; K1122-Y1182 HydrophobicContact CD-CE1 4.08Å; K1122-Y1182 HydrophobicContact CD-CG 4.39Å; K1122-Y1182 VanDerWaalsContact CE-CD1 3.48Å; K1122-Y1182 HydrophobicContact CG-CD1 3.43Å; K1122-Y1182 VanDerWaalsContact CG-CD1 3.43Å; K1122-Y1182 HydrophobicContact CG-CE1 3.6Å; K1122-Y1182 HydrophobicContact CG-CG 4.12Å; K1122-P1183 HydrophobicContact CB-CG 4.28Å; K1122-P1183 WeakPolarHBondContact O-CG 3.34Å |
| 1123 | T | 87.5 | Confident | 90.8 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.012 | 13% | 0.126 | C | C | . | . | trans | -45.8 | 126.7 | 179.7 | -60.5 | 0 | 0 | 0 | 0 | 112.3 | W1077 F1078 L1118 L1121 R1125 F1126 | W1077-T1123 HydrophobicContact CE3-CG2 3.97Å; F1078-T1123 HydrophobicContact CD2-CG2 4.07Å; F1078-T1123 HydrophobicContact CE2-CG2 3.9Å; L1118-T1123 WeakPolarHBondContact O-CB 3.47Å; L1118-T1123 PolarHBondContact O-N 3.02Å; L1118-T1123 PolarHBondContact O-OG1 2.83Å; L1118-T1123 VanDerWaalsContact O-OG1 3.12Å; L1121-T1123 VanDerWaalsContact C-N 3.29Å; T1123-R1125 PolarHBondContact O-N 3.42Å; T1123-F1126 HydrophobicContact CG2-CB 4.05Å | ||
| 1124 | A | 82.1 | Confident | 90.8 | Very high | 25 Ų | 25 | 27.6 Ų | 27.6 | 21% | 0.207 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -61.1 | 137.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K1122 F1126 | K1122-A1124 PolarHBondContact O-N 3.18Å; A1124-F1126 PolarHBondContact O-N 3.49Å |
| 1125 | R | 80 | Confident | 90.7 | Very high | 116 Ų | 116 | 27.6 Ų | 27.6 | 44% | 0.438 | 13% | 0.129 | S | C | . | . | S | Bend | trans | 63.8 | -22.6 | 174 | -49.6 | 175.4 | -165.1 | 169.6 | 6.7 | 116.8 | F1078 Q1079 K1085 T1123 | F1078-R1125 WeakPolarHBondContact O-CD 3.37Å; F1078-R1125 PolarHBondContact O-NH1 2.87Å; Q1079-R1125 VanDerWaalsContact CA-NH1 3.35Å; Q1079-R1125 PolarHBondContact O-NH1 3.49Å; K1085-R1125 VanDerWaalsContact CD-O 3.29Å; K1085-R1125 WeakPolarHBondContact CD-O 3.31Å; K1085-R1125 WeakPolarHBondContact CE-O 3.47Å; K1085-R1125 PolarHBondContact NZ-O 2.83Å; T1123-R1125 PolarHBondContact O-N 3.42Å |
| 1126 | F | 87.5 | Confident | 90.8 | Very high | 8 Ų | 8 | 27 Ų | 27 | 4% | 0.035 | 13% | 0.127 | C | C | . | . | trans | -51.3 | 137.2 | 170.6 | -176.7 | -104.9 | 0 | 0 | 0 | 110.7 | F1078 I1089 F1092 L1118 T1123 A1124 C1131 | F1078-F1126 HydrophobicContact CD2-CB 4.15Å; F1078-F1126 HydrophobicContact CE2-CB 3.99Å; F1078-F1126 AromaticContact CE2-CD2 3.91Å; F1078-F1126 HydrophobicContact CE2-CD2 3.91Å; F1078-F1126 HydrophobicContact CE2-CG 4.33Å; F1078-F1126 HydrophobicContact CZ-CD2 4.2Å; I1089-F1126 HydrophobicContact CD1-CD2 3.84Å; I1089-F1126 HydrophobicContact CD1-CE2 3.45Å; I1089-F1126 VanDerWaalsContact CD1-CE2 3.45Å; I1089-F1126 HydrophobicContact CD1-CZ 4.17Å; F1092-F1126 AromaticContact CD1-CE2 3.97Å; F1092-F1126 HydrophobicContact CD1-CE2 3.97Å; F1092-F1126 HydrophobicContact CD1-CZ 4.48Å; F1092-F1126 AromaticContact CE1-CE2 3.94Å; F1092-F1126 HydrophobicContact CE1-CE2 3.94Å; F1092-F1126 HydrophobicContact CE1-CZ 4.09Å; L1118-F1126 HydrophobicContact CB-CD1 4.21Å; L1118-F1126 HydrophobicContact CB-CE1 3.99Å; L1118-F1126 HydrophobicContact CB-CZ 4.41Å; L1118-F1126 HydrophobicContact CD1-CD2 4.48Å; L1118-F1126 HydrophobicContact CD1-CE1 4.35Å; L1118-F1126 HydrophobicContact CD1-CE2 4.02Å; L1118-F1126 HydrophobicContact CD1-CZ 3.95Å; T1123-F1126 HydrophobicContact CG2-CB 4.05Å; A1124-F1126 PolarHBondContact O-N 3.49Å; F1126-C1131 HydrophobicContact CZ-CB 4.37Å | ||
| 1127 | S | 88.6 | Confident | 90.7 | Very high | 4 Ų | 4 | 26.8 Ų | 26.8 | 3% | 0.028 | 13% | 0.127 | C | C | . | . | trans | -118.4 | 98 | 177.5 | -177.1 | 0 | 0 | 0 | 0 | 111.1 | L1129 I1130 C1131 G1184 | S1127-L1129 PolarHBondContact O-N 2.89Å; S1127-I1130 PolarHBondContact O-N 3.22Å; S1127-I1130 WeakPolarHBondContact OG-CG1 3.42Å; S1127-I1130 PolarHBondContact OG-N 3.43Å; S1127-C1131 WeakPolarHBondContact O-CB 3.41Å; S1127-C1131 PolarHBondContact O-N 2.98Å; S1127-G1184 PolarHBondContact OG-O 3.39Å | ||
| 1128 | T | 91.3 | Very high | 90.6 | Very high | 7 Ų | 7 | 29.9 Ų | 29.9 | 4% | 0.043 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -51.6 | -44 | 170.6 | -43.1 | 0 | 0 | 0 | 0 | 110.9 | H1119 I1130 C1131 L1132 W1168 F1185 | H1119-T1128 HydrophobicContact CB-CG2 4.12Å; H1119-T1128 PolarHBondContact ND1-OG1 2.99Å; T1128-I1130 PolarHBondContact O-N 3.05Å; T1128-C1131 WeakPolarHBondContact O-CB 3.23Å; T1128-C1131 PolarHBondContact O-N 2.94Å; T1128-L1132 HydrophobicContact CG2-CD1 4.1Å; T1128-L1132 WeakPolarHBondContact O-CG 3.36Å; T1128-L1132 PolarHBondContact O-N 3.5Å; T1128-W1168 HydrophobicContact CG2-CH2 4.1Å; T1128-W1168 HydrophobicContact CG2-CZ3 4.28Å; T1128-F1185 HydrophobicContact CG2-CE2 4.37Å |
| 1129 | L | 90.6 | Very high | 90.6 | Very high | 28 Ų | 28 | 29.9 Ų | 29.9 | 15% | 0.147 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.2 | -44.7 | -179.4 | -171.8 | 66.3 | 0 | 0 | 0 | 113 | S1127 L1132 D1133 G1184 F1185 T1187 L1205 V1213 W1217 | S1127-L1129 PolarHBondContact O-N 2.89Å; L1129-L1132 PolarHBondContact O-N 2.8Å; L1129-D1133 WeakPolarHBondContact O-CB 3.4Å; L1129-D1133 PolarHBondContact O-N 3.19Å; L1129-G1184 WeakPolarHBondContact CB-O 3.17Å; L1129-G1184 PolarHBondContact N-O 3.26Å; L1129-F1185 HydrophobicContact CD1-CD1 4.3Å; L1129-F1185 HydrophobicContact CD1-CE1 4.09Å; L1129-T1187 HydrophobicContact CD2-CG2 4.41Å; L1129-L1205 HydrophobicContact CD1-CD2 3.88Å; L1129-L1205 HydrophobicContact CD2-CD2 4Å; L1129-V1213 HydrophobicContact CD1-CG1 4.23Å; L1129-W1217 HydrophobicContact CD1-CH2 4.14Å; L1129-W1217 HydrophobicContact CD1-CZ2 4.16Å |
| 1130 | I | 90.6 | Very high | 90.6 | Very high | 54 Ų | 54 | 32.1 Ų | 32.1 | 28% | 0.277 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -69.4 | -35.7 | 177 | -64.1 | 172 | 0 | 0 | 0 | 111 | K1085 I1089 S1127 T1128 R1134 | K1085-I1130 HydrophobicContact CB-CD1 4.28Å; I1089-I1130 HydrophobicContact CB-CG2 4.38Å; I1089-I1130 HydrophobicContact CG1-CG2 4.3Å; I1089-I1130 HydrophobicContact CG2-CG2 4.28Å; S1127-I1130 PolarHBondContact O-N 3.22Å; S1127-I1130 WeakPolarHBondContact OG-CG1 3.42Å; S1127-I1130 PolarHBondContact OG-N 3.43Å; T1128-I1130 PolarHBondContact O-N 3.05Å; I1130-R1134 WeakPolarHBondContact O-CB 3.39Å; I1130-R1134 WeakPolarHBondContact O-CG 3.41Å; I1130-R1134 PolarHBondContact O-N 3.18Å |
| 1131 | C | 93 | Very high | 90.5 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.5 | -46.5 | 175.5 | -161.6 | 0 | 0 | 0 | 0 | 111.8 | I1089 F1126 S1127 T1128 I1135 | I1089-C1131 HydrophobicContact CD1-CB 3.9Å; I1089-C1131 HydrophobicContact CG2-CB 4.24Å; F1126-C1131 HydrophobicContact CZ-CB 4.37Å; S1127-C1131 WeakPolarHBondContact O-CB 3.41Å; S1127-C1131 PolarHBondContact O-N 2.98Å; T1128-C1131 WeakPolarHBondContact O-CB 3.23Å; T1128-C1131 PolarHBondContact O-N 2.94Å; C1131-I1135 WeakPolarHBondContact O-CD1 3.28Å; C1131-I1135 WeakPolarHBondContact O-CG1 3.35Å; C1131-I1135 PolarHBondContact O-N 3.27Å |
| 1132 | L | 94.4 | Very high | 90.4 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.6 | -43.9 | 177.8 | -65.7 | 171.7 | 0 | 0 | 0 | 111.8 | M1115 T1128 L1129 R1134 I1135 F1136 V1161 V1165 W1168 W1217 | M1115-L1132 HydrophobicContact CE-CD2 3.94Å; T1128-L1132 HydrophobicContact CG2-CD1 4.1Å; T1128-L1132 WeakPolarHBondContact O-CG 3.36Å; T1128-L1132 PolarHBondContact O-N 3.5Å; L1129-L1132 PolarHBondContact O-N 2.8Å; L1132-R1134 VanDerWaalsContact C-N 3.28Å; L1132-R1134 PolarHBondContact O-N 3.35Å; L1132-I1135 PolarHBondContact O-N 3Å; L1132-F1136 HydrophobicContact CB-CD2 4.32Å; L1132-F1136 HydrophobicContact CB-CE2 4.27Å; L1132-F1136 HydrophobicContact CD2-CE2 4.18Å; L1132-F1136 WeakPolarHBondContact O-CD2 3.41Å; L1132-F1136 PolarHBondContact O-N 3.4Å; L1132-V1161 HydrophobicContact CD2-CG1 3.36Å; L1132-V1165 HydrophobicContact CD1-CG2 4.04Å; L1132-V1165 HydrophobicContact CD2-CG2 4.29Å; L1132-W1168 HydrophobicContact CD1-CZ3 4.02Å; L1132-W1217 HydrophobicContact CB-CH2 3.46Å; L1132-W1217 VanDerWaalsContact CB-CH2 3.46Å; L1132-W1217 HydrophobicContact CB-CZ2 3.63Å; L1132-W1217 HydrophobicContact CB-CZ3 4.13Å; L1132-W1217 HydrophobicContact CD1-CH2 3.82Å; L1132-W1217 HydrophobicContact CD1-CZ3 4.18Å; L1132-W1217 HydrophobicContact CG-CH2 4.28Å |
| 1133 | D | 93.5 | Very high | 90.5 | Very high | 38 Ų | 38 | 30.7 Ų | 30.7 | 20% | 0.203 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.8 | -38 | 178.9 | -156.4 | 66 | 0 | 0 | 0 | 112 | L1129 N1137 K1216 W1217 | L1129-D1133 WeakPolarHBondContact O-CB 3.4Å; L1129-D1133 PolarHBondContact O-N 3.19Å; D1133-N1137 VanDerWaalsContact O-CB 3.32Å; D1133-N1137 WeakPolarHBondContact O-CB 3.31Å; D1133-N1137 VanDerWaalsContact O-CG 3.25Å; D1133-N1137 PolarHBondContact O-N 2.86Å; D1133-N1137 PolarHBondContact O-ND2 2.97Å; D1133-N1137 PolarHBondContact OD2-ND2 2.65Å; D1133-K1216 WeakPolarHBondContact OD1-CE 3.36Å; D1133-K1216 IonicContact OD1-NZ 3.58Å; D1133-K1216 PolarHBondContact OD1-NZ 2.95Å; D1133-K1216 IonicContact OD2-NZ 3.78Å; D1133-K1216 PolarHBondContact OD2-NZ 3.37Å; D1133-W1217 HydrophobicContact CB-CZ2 4.35Å; D1133-W1217 PolarHBondContact OD1-NE1 3.48Å |
| 1134 | R | 93.2 | Very high | 90.6 | Very high | 60 Ų | 60 | 31.6 Ų | 31.6 | 23% | 0.226 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.5 | -58.3 | 170.7 | -80.7 | -86.5 | 177.9 | 71.7 | -22.3 | 111.8 | T1086 I1089 T1090 L1093 I1130 L1132 F1136 N1137 D1138 | T1086-R1134 PolarHBondContact O-NH1 2.91Å; T1086-R1134 PolarHBondContact O-NH2 3.22Å; I1089-R1134 HydrophobicContact CG2-CG 4.19Å; T1090-R1134 PolarHBondContact OG1-NH1 3.42Å; T1090-R1134 PolarHBondContact OG1-NH2 3.42Å; L1093-R1134 HydrophobicContact CD1-CB 3.52Å; L1093-R1134 HydrophobicContact CD1-CG 4.16Å; I1130-R1134 WeakPolarHBondContact O-CB 3.39Å; I1130-R1134 WeakPolarHBondContact O-CG 3.41Å; I1130-R1134 PolarHBondContact O-N 3.18Å; L1132-R1134 VanDerWaalsContact C-N 3.28Å; L1132-R1134 PolarHBondContact O-N 3.35Å; R1134-F1136 VanDerWaalsContact C-N 3.27Å; R1134-F1136 PolarHBondContact O-N 3.43Å; R1134-N1137 PolarHBondContact O-N 2.99Å; R1134-N1137 VanDerWaalsContact O-N 3.14Å; R1134-D1138 WeakPolarHBondContact O-CB 3.21Å; R1134-D1138 PolarHBondContact O-N 3.34Å |
| 1135 | I | 94.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -53.8 | -43.7 | -177.6 | -69.4 | 160.9 | 0 | 0 | 0 | 111.7 | L1093 M1115 C1131 L1132 I1139 F1157 L1158 | L1093-I1135 HydrophobicContact CD1-CG1 4.43Å; L1093-I1135 HydrophobicContact CD2-CD1 3.9Å; L1093-I1135 HydrophobicContact CD2-CG1 3.74Å; M1115-I1135 HydrophobicContact CE-CD1 3.49Å; M1115-I1135 VanDerWaalsContact CE-CD1 3.49Å; M1115-I1135 HydrophobicContact SD-CD1 3.85Å; C1131-I1135 WeakPolarHBondContact O-CD1 3.28Å; C1131-I1135 WeakPolarHBondContact O-CG1 3.35Å; C1131-I1135 PolarHBondContact O-N 3.27Å; L1132-I1135 PolarHBondContact O-N 3Å; I1135-I1139 WeakPolarHBondContact O-CG1 3.47Å; I1135-F1157 HydrophobicContact CD1-CE1 4.38Å; I1135-F1157 HydrophobicContact CD1-CZ 3.92Å; I1135-F1157 HydrophobicContact CG2-CE1 4.04Å; I1135-L1158 HydrophobicContact CG2-CD2 3.76Å |
| 1136 | F | 94.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -80.6 | -22.9 | -178.2 | -68 | -62 | 0 | 0 | 0 | 115 | L1132 R1134 I1139 V1161 L1162 V1165 W1217 R1220 I1221 | L1132-F1136 HydrophobicContact CB-CD2 4.32Å; L1132-F1136 HydrophobicContact CB-CE2 4.27Å; L1132-F1136 HydrophobicContact CD2-CE2 4.18Å; L1132-F1136 WeakPolarHBondContact O-CD2 3.41Å; L1132-F1136 PolarHBondContact O-N 3.4Å; R1134-F1136 VanDerWaalsContact C-N 3.27Å; R1134-F1136 PolarHBondContact O-N 3.43Å; F1136-I1139 HydrophobicContact CD1-CD1 4.2Å; F1136-V1161 HydrophobicContact CE2-CG1 4.15Å; F1136-V1161 HydrophobicContact CZ-CG1 3.85Å; F1136-L1162 HydrophobicContact CE1-CD2 3.66Å; F1136-L1162 HydrophobicContact CE1-CG 3.86Å; F1136-L1162 HydrophobicContact CZ-CD2 3.85Å; F1136-L1162 HydrophobicContact CZ-CG 4.1Å; F1136-V1165 HydrophobicContact CE2-CG2 3.96Å; F1136-V1165 HydrophobicContact CZ-CG2 4.24Å; F1136-W1217 HydrophobicContact CB-CB 3.83Å; F1136-W1217 HydrophobicContact CB-CD2 4.44Å; F1136-W1217 HydrophobicContact CB-CG 3.72Å; F1136-W1217 HydrophobicContact CD1-CB 4.41Å; F1136-W1217 HydrophobicContact CD2-CB 3.97Å; F1136-W1217 AromaticContact CD2-CD2 3.47Å; F1136-W1217 HydrophobicContact CD2-CD2 3.47Å; F1136-W1217 VanDerWaalsContact CD2-CD2 3.47Å; F1136-W1217 AromaticContact CD2-CE2 3.96Å; F1136-W1217 AromaticContact CD2-CE3 3.72Å; F1136-W1217 HydrophobicContact CD2-CE3 3.72Å; F1136-W1217 AromaticContact CD2-CG 3.6Å; F1136-W1217 HydrophobicContact CD2-CG 3.6Å; F1136-W1217 HydrophobicContact CD2-CZ3 4.39Å; F1136-W1217 HydrophobicContact CE2-CD2 4.05Å; F1136-W1217 AromaticContact CE2-CE3 3.78Å; F1136-W1217 HydrophobicContact CE2-CE3 3.78Å; F1136-W1217 HydrophobicContact CE2-CG 4.47Å; F1136-W1217 HydrophobicContact CE2-CZ3 4.24Å; F1136-W1217 HydrophobicContact CG-CB 3.82Å; F1136-W1217 HydrophobicContact CG-CD2 4.2Å; F1136-W1217 AromaticContact CG-CG 3.82Å; F1136-W1217 HydrophobicContact CG-CG 3.82Å; F1136-R1220 VanDerWaalsContact O-CB 3.26Å; F1136-R1220 WeakPolarHBondContact O-CB 3.47Å; F1136-I1221 HydrophobicContact CD1-CD1 3.83Å; F1136-I1221 HydrophobicContact CD1-CG1 4.06Å; F1136-I1221 HydrophobicContact CE1-CD1 4.02Å |
| 1137 | N | 92.7 | Very high | 91.6 | Very high | 41 Ų | 41 | 30.7 Ų | 30.7 | 22% | 0.219 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -78 | -36.1 | 173.1 | -77.2 | -54.2 | 0 | 0 | 0 | 112.5 | D1133 R1134 R1220 | D1133-N1137 VanDerWaalsContact O-CB 3.32Å; D1133-N1137 WeakPolarHBondContact O-CB 3.31Å; D1133-N1137 VanDerWaalsContact O-CG 3.25Å; D1133-N1137 PolarHBondContact O-N 2.86Å; D1133-N1137 PolarHBondContact O-ND2 2.97Å; D1133-N1137 PolarHBondContact OD2-ND2 2.65Å; R1134-N1137 PolarHBondContact O-N 2.99Å; R1134-N1137 VanDerWaalsContact O-N 3.14Å; N1137-R1220 VanDerWaalsContact OD1-CD 3.23Å; N1137-R1220 WeakPolarHBondContact OD1-CD 3.48Å; N1137-R1220 WeakPolarHBondContact OD1-CG 3.32Å; N1137-R1220 PolarHBondContact OD1-NE 3.21Å |
| 1138 | D | 89.8 | Confident | 91.7 | Very high | 68 Ų | 68 | 33.1 Ų | 33.1 | 36% | 0.364 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -93.9 | -0.4 | -163.6 | -62.6 | -28.1 | 0 | 0 | 0 | 114.5 | R1134 T1140 L1141 P1142 | R1134-D1138 WeakPolarHBondContact O-CB 3.21Å; R1134-D1138 PolarHBondContact O-N 3.34Å; D1138-T1140 PolarHBondContact O-N 3.41Å; D1138-L1141 PolarHBondContact O-N 3.16Å; D1138-P1142 WeakPolarHBondContact O-CD 3.19Å |
| 1139 | I | 92.7 | Very high | 91.8 | Very high | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.015 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -44.1 | -37 | -173.1 | -63.3 | -178.4 | 0 | 0 | 0 | 115.2 | I1135 F1136 L1141 T1143 Y1154 L1158 I1221 A1224 | I1135-I1139 WeakPolarHBondContact O-CG1 3.47Å; F1136-I1139 HydrophobicContact CD1-CD1 4.2Å; I1139-L1141 PolarHBondContact O-N 3.45Å; I1139-T1143 VanDerWaalsContact O-CB 3.32Å; I1139-T1143 WeakPolarHBondContact O-CB 3.35Å; I1139-T1143 PolarHBondContact O-N 3.38Å; I1139-T1143 PolarHBondContact O-OG1 3.5Å; I1139-Y1154 HydrophobicContact CG2-CE1 4.43Å; I1139-L1158 HydrophobicContact CD1-CD1 4.28Å; I1139-L1158 HydrophobicContact CD1-CD2 4.43Å; I1139-L1158 HydrophobicContact CG2-CD1 4.4Å; I1139-I1221 HydrophobicContact CD1-CB 4.4Å; I1139-I1221 HydrophobicContact CD1-CG1 3.56Å; I1139-A1224 HydrophobicContact CB-CB 3.98Å; I1139-A1224 HydrophobicContact CG2-CB 4.08Å |
| 1140 | T | 92.4 | Very high | 92 | Very high | 52 Ų | 52 | 34.4 Ų | 34.4 | 32% | 0.319 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -56.9 | -37.1 | -178.9 | -59.6 | 0 | 0 | 0 | 0 | 112.5 | D1138 S1144 A1224 | D1138-T1140 PolarHBondContact O-N 3.41Å; T1140-S1144 VanDerWaalsContact O-CB 3.23Å; T1140-S1144 WeakPolarHBondContact O-CB 3.5Å; T1140-S1144 PolarHBondContact O-N 2.96Å; T1140-S1144 PolarHBondContact O-OG 3.45Å; T1140-A1224 VanDerWaalsContact OG1-CA 3.29Å; T1140-A1224 WeakPolarHBondContact OG1-CA 3.36Å; T1140-A1224 VanDerWaalsContact OG1-CB 3.23Å; T1140-A1224 WeakPolarHBondContact OG1-CB 3.49Å |
| 1141 | L | 89.9 | Confident | 92.1 | Very high | 109 Ų | 109 | 31.9 Ų | 31.9 | 57% | 0.571 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -74 | -56.7 | -175.6 | -72.7 | 171.4 | 0 | 0 | 0 | 112.1 | D1138 I1139 T1143 S1144 M1145 | D1138-L1141 PolarHBondContact O-N 3.16Å; I1139-L1141 PolarHBondContact O-N 3.45Å; L1141-T1143 VanDerWaalsContact C-N 3.32Å; L1141-T1143 PolarHBondContact O-N 3.01Å; L1141-S1144 PolarHBondContact O-N 3.17Å; L1141-M1145 WeakPolarHBondContact O-CG 3.42Å; L1141-M1145 PolarHBondContact O-N 2.64Å; L1141-M1145 VanDerWaalsContact O-N 3.13Å |
| 1142 | P | 89.9 | Confident | 92.2 | Very high | 26 Ų | 26 | 32.4 Ų | 32.4 | 17% | 0.169 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -54.1 | -47.2 | 175.2 | -26.8 | 35.2 | 0 | 0 | 0 | 112.4 | Y1098 D1138 S1144 M1145 C1146 Y1154 | Y1098-P1142 HydrophobicContact CD1-CG 4.49Å; Y1098-P1142 HydrophobicContact CE1-CG 4.02Å; D1138-P1142 WeakPolarHBondContact O-CD 3.19Å; P1142-S1144 PolarHBondContact O-N 2.81Å; P1142-S1144 VanDerWaalsContact O-N 3.14Å; P1142-M1145 PolarHBondContact O-N 3.37Å; P1142-M1145 VanDerWaalsContact O-N 3.12Å; P1142-C1146 WeakPolarHBondContact O-CB 3.34Å; P1142-C1146 PolarHBondContact O-N 3.03Å; P1142-C1146 PolarHBondContact O-SG 3Å; P1142-Y1154 HydrophobicContact CB-CD1 4.28Å; P1142-Y1154 HydrophobicContact CB-CD2 4.44Å; P1142-Y1154 HydrophobicContact CB-CE1 3.86Å; P1142-Y1154 HydrophobicContact CB-CE2 4.06Å; P1142-Y1154 HydrophobicContact CG-CE2 4.4Å |
| 1143 | T | 91.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.012 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.7 | -30.6 | 179.5 | -50.1 | 0 | 0 | 0 | 0 | 112.6 | I1139 L1141 N1239 A1240 V1243 | I1139-T1143 VanDerWaalsContact O-CB 3.32Å; I1139-T1143 WeakPolarHBondContact O-CB 3.35Å; I1139-T1143 PolarHBondContact O-N 3.38Å; I1139-T1143 PolarHBondContact O-OG1 3.5Å; L1141-T1143 VanDerWaalsContact C-N 3.32Å; L1141-T1143 PolarHBondContact O-N 3.01Å; T1143-N1239 HydrophobicContact CG2-CB 4.09Å; T1143-N1239 WeakPolarHBondContact O-CB 3.44Å; T1143-N1239 PolarHBondContact O-ND2 2.94Å; T1143-A1240 HydrophobicContact CG2-CB 4.31Å; T1143-V1243 HydrophobicContact CG2-CG2 4.17Å |
| 1144 | S | 89.6 | Confident | 92.3 | Very high | 20 Ų | 20 | 30.7 Ų | 30.7 | 14% | 0.14 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -87 | -18.8 | -179 | -61 | 0 | 0 | 0 | 0 | 114.6 | T1140 L1141 P1142 | T1140-S1144 VanDerWaalsContact O-CB 3.23Å; T1140-S1144 WeakPolarHBondContact O-CB 3.5Å; T1140-S1144 PolarHBondContact O-N 2.96Å; T1140-S1144 PolarHBondContact O-OG 3.45Å; L1141-S1144 PolarHBondContact O-N 3.17Å; P1142-S1144 PolarHBondContact O-N 2.81Å; P1142-S1144 VanDerWaalsContact O-N 3.14Å |
| 1145 | M | 88.1 | Confident | 92.4 | Very high | 104 Ų | 104 | 27.9 Ų | 27.9 | 51% | 0.512 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -106.3 | -25.6 | -174.5 | -66.2 | -59.5 | -67 | 0 | 0 | 113.7 | L1141 P1142 R1751 | L1141-M1145 WeakPolarHBondContact O-CG 3.42Å; L1141-M1145 PolarHBondContact O-N 2.64Å; L1141-M1145 VanDerWaalsContact O-N 3.13Å; P1142-M1145 PolarHBondContact O-N 3.37Å; P1142-M1145 VanDerWaalsContact O-N 3.12Å; M1145-R1751 HydrophobicContact CE-CB 3.88Å; M1145-R1751 HydrophobicContact CE-CG 4.17Å |
| 1146 | C | 91.3 | Very high | 92.4 | Very high | 9 Ų | 9 | 28.9 Ų | 28.9 | 6% | 0.061 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -58.7 | 153 | 177.1 | -73.5 | 0 | 0 | 0 | 0 | 113.5 | P1142 E1150 A1151 N1239 | P1142-C1146 WeakPolarHBondContact O-CB 3.34Å; P1142-C1146 PolarHBondContact O-N 3.03Å; P1142-C1146 PolarHBondContact O-SG 3Å; C1146-E1150 WeakPolarHBondContact CA-OE2 3.41Å; C1146-E1150 HydrophobicContact CB-CB 3.63Å; C1146-A1151 HydrophobicContact CB-CB 3.97Å; C1146-N1239 PolarHBondContact O-ND2 3.02Å |
| 1147 | T | 92.3 | Very high | 92.4 | Very high | 17 Ų | 17 | 28.9 Ų | 28.9 | 10% | 0.104 | 15% | 0.153 | C | C | . | . | trans | -67.3 | 178.8 | 155.9 | 72.2 | 0 | 0 | 0 | 0 | 112.4 | Y879 D880 N1149 E1150 A1151 | Y879-T1147 HydrophobicContact CD1-CG2 3.44Å; Y879-T1147 VanDerWaalsContact CD1-CG2 3.44Å; Y879-T1147 HydrophobicContact CE1-CG2 3.84Å; Y879-T1147 HydrophobicContact CG-CG2 4.14Å; D880-T1147 VanDerWaalsContact OD1-CB 3.25Å; D880-T1147 WeakPolarHBondContact OD1-CB 3.45Å; D880-T1147 PolarHBondContact OD1-OG1 3.26Å; D880-T1147 WeakPolarHBondContact OD2-CB 3.35Å; D880-T1147 PolarHBondContact OD2-OG1 3Å; T1147-N1149 PolarHBondContact OG1-N 2.86Å; T1147-E1150 PolarHBondContact N-OE2 2.89Å; T1147-E1150 WeakPolarHBondContact OG1-CG 3.44Å; T1147-E1150 PolarHBondContact OG1-N 3.38Å; T1147-E1150 VanDerWaalsContact OG1-N 3.11Å; T1147-A1151 VanDerWaalsContact O-CB 3.24Å; T1147-A1151 WeakPolarHBondContact O-CB 3.33Å; T1147-A1151 PolarHBondContact O-N 3.3Å | ||
| 1148 | E | 90.7 | Very high | 92.6 | Very high | 56 Ų | 56 | 27.1 Ų | 27.1 | 26% | 0.262 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -66.4 | -39.2 | 177.6 | -57.4 | -169.2 | -170.3 | 0 | 0 | 111.6 | H1152 R1238 I1242 | E1148-H1152 WeakPolarHBondContact O-CB 3.29Å; E1148-H1152 PolarHBondContact O-N 3.43Å; E1148-H1152 VanDerWaalsContact O-N 3.12Å; E1148-R1238 WeakPolarHBondContact OE1-CD 3.26Å; E1148-R1238 IonicContact OE1-CZ 2.62Å; E1148-R1238 IonicContact OE1-NE 3.19Å; E1148-R1238 PolarHBondContact OE1-NE 2.83Å; E1148-R1238 IonicContact OE1-NH2 2.77Å; E1148-R1238 IonicContact OE2-CZ 3.52Å; E1148-R1238 IonicContact OE2-NE 2.91Å; E1148-R1238 PolarHBondContact OE2-NE 2.65Å; E1148-R1238 IonicContact OE2-NH2 2.69Å; E1148-R1238 PolarHBondContact OE2-NH2 3.21Å; E1148-I1242 HydrophobicContact CB-CD1 4.06Å; E1148-I1242 HydrophobicContact CG-CD1 4.49Å |
| 1149 | N | 92.5 | Very high | 92.8 | Very high | 45 Ų | 45 | 24.6 Ų | 24.6 | 24% | 0.241 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -73.5 | -39.5 | 176 | -68.9 | -17.3 | 0 | 0 | 0 | 112.1 | E802 T1147 H1152 R1153 | E802-N1149 HydrophobicContact CG-CB 4.46Å; T1147-N1149 PolarHBondContact OG1-N 2.86Å; N1149-H1152 WeakPolarHBondContact O-CB 3.39Å; N1149-H1152 PolarHBondContact O-CE1 3.29Å; N1149-H1152 PolarHBondContact O-N 2.89Å; N1149-R1153 VanDerWaalsContact O-CG 3.24Å; N1149-R1153 WeakPolarHBondContact O-CG 3.46Å; N1149-R1153 PolarHBondContact O-N 3.38Å |
| 1150 | E | 94.2 | Very high | 92.9 | Very high | 17 Ų | 17 | 25.7 Ų | 25.7 | 8% | 0.079 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.7 | -42.4 | 174.5 | -70.9 | 178.2 | 149.1 | 0 | 0 | 111.6 | Y879 C1102 C1146 T1147 H1152 R1153 Y1154 | Y879-E1150 HydrophobicContact CE1-CG 4.41Å; Y879-E1150 VanDerWaalsContact CE1-OE1 3.23Å; Y879-E1150 WeakPolarHBondContact CE1-OE1 3.28Å; Y879-E1150 PolarHBondContact OH-OE1 2.97Å; C1102-E1150 HydrophobicContact CB-CB 4.43Å; C1102-E1150 HydrophobicContact CB-CG 3.95Å; C1146-E1150 WeakPolarHBondContact CA-OE2 3.41Å; C1146-E1150 HydrophobicContact CB-CB 3.63Å; T1147-E1150 PolarHBondContact N-OE2 2.89Å; T1147-E1150 WeakPolarHBondContact OG1-CG 3.44Å; T1147-E1150 PolarHBondContact OG1-N 3.38Å; T1147-E1150 VanDerWaalsContact OG1-N 3.11Å; E1150-H1152 VanDerWaalsContact C-N 3.25Å; E1150-H1152 PolarHBondContact O-N 2.94Å; E1150-R1153 PolarHBondContact O-N 3.13Å; E1150-R1153 VanDerWaalsContact O-N 3.17Å; E1150-Y1154 VanDerWaalsContact O-CB 3.29Å; E1150-Y1154 WeakPolarHBondContact O-CB 3.43Å; E1150-Y1154 PolarHBondContact O-N 3.06Å |
| 1151 | A | 94.4 | Very high | 93 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.5 | -35.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | C1146 T1147 G1155 N1239 I1242 V1243 | C1146-A1151 HydrophobicContact CB-CB 3.97Å; T1147-A1151 VanDerWaalsContact O-CB 3.24Å; T1147-A1151 WeakPolarHBondContact O-CB 3.33Å; T1147-A1151 PolarHBondContact O-N 3.3Å; A1151-G1155 PolarHBondContact O-N 3.42Å; A1151-N1239 HydrophobicContact CB-CB 3.73Å; A1151-I1242 HydrophobicContact CB-CG2 4.37Å; A1151-V1243 HydrophobicContact CB-CG2 4.35Å; A1151-V1243 VanDerWaalsContact O-CG2 3.32Å; A1151-V1243 WeakPolarHBondContact O-CG2 3.46Å |
| 1152 | H | 94.2 | Very high | 93.3 | Very high | 11 Ų | 11 | 18.3 Ų | 18.3 | 5% | 0.051 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.4 | -45.4 | 172.7 | 167.2 | -77.1 | 0 | 0 | 0 | 112.4 | E802 E1148 N1149 E1150 G1155 R1156 I1242 R1246 | E802-H1152 VanDerWaalsContact C-NE2 3.3Å; E802-H1152 PolarHBondContact O-NE2 2.8Å; E1148-H1152 WeakPolarHBondContact O-CB 3.29Å; E1148-H1152 PolarHBondContact O-N 3.43Å; E1148-H1152 VanDerWaalsContact O-N 3.12Å; N1149-H1152 WeakPolarHBondContact O-CB 3.39Å; N1149-H1152 PolarHBondContact O-CE1 3.29Å; N1149-H1152 PolarHBondContact O-N 2.89Å; E1150-H1152 VanDerWaalsContact C-N 3.25Å; E1150-H1152 PolarHBondContact O-N 2.94Å; H1152-G1155 PolarHBondContact O-N 2.73Å; H1152-R1156 PolarHBondContact NE2-NE 3.41Å; H1152-R1156 PolarHBondContact NE2-NH2 2.98Å; H1152-R1156 PolarHBondContact O-N 2.91Å; H1152-I1242 HydrophobicContact CB-CG2 3.66Å; H1152-R1246 PolarHBondContact CD2-NE 3.02Å; H1152-R1246 PolarHBondContact CD2-NH2 3.05Å |
| 1153 | R | 95.1 | Very high | 93.5 | Very high | 3 Ų | 3 | 22.1 Ų | 22.1 | 1% | 0.011 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -66.1 | -45.3 | 177 | -64.8 | 162 | -174.7 | 173.9 | -3.5 | 111.4 | E802 V1101 C1102 F1103 A1108 N1149 E1150 G1155 R1156 F1157 | E802-R1153 IonicContact OE1-CZ 3.02Å; E802-R1153 IonicContact OE1-NH2 3.21Å; E802-R1153 PolarHBondContact OE1-NH2 3.37Å; E802-R1153 IonicContact OE2-CZ 2.98Å; E802-R1153 VanDerWaalsContact OE2-CZ 3.3Å; E802-R1153 IonicContact OE2-NE 2.99Å; E802-R1153 PolarHBondContact OE2-NE 3.39Å; E802-R1153 IonicContact OE2-NH2 3.43Å; E802-R1153 PolarHBondContact OE2-NH2 2.92Å; V1101-R1153 WeakPolarHBondContact O-CB 3.37Å; C1102-R1153 VanDerWaalsContact O-CD 3.24Å; C1102-R1153 WeakPolarHBondContact O-CD 3.34Å; C1102-R1153 PolarHBondContact O-NH1 3.09Å; F1103-R1153 PolarHBondContact O-NH1 3.4Å; A1108-R1153 HydrophobicContact CB-CB 4.35Å; N1149-R1153 VanDerWaalsContact O-CG 3.24Å; N1149-R1153 WeakPolarHBondContact O-CG 3.46Å; N1149-R1153 PolarHBondContact O-N 3.38Å; E1150-R1153 PolarHBondContact O-N 3.13Å; E1150-R1153 VanDerWaalsContact O-N 3.17Å; R1153-G1155 VanDerWaalsContact C-N 3.31Å; R1153-G1155 PolarHBondContact O-N 2.68Å; R1153-R1156 WeakPolarHBondContact O-CB 3.32Å; R1153-R1156 PolarHBondContact O-N 2.96Å; R1153-F1157 PolarHBondContact O-N 3.49Å |
| 1154 | Y | 95.6 | Very high | 93.5 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.008 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59 | -38.8 | 172.5 | -178.4 | -115.6 | 0 | 0 | 0 | 112.4 | Y1098 V1101 I1139 P1142 E1150 R1156 F1157 L1158 V1243 | Y1098-Y1154 HydrophobicContact CE1-CE2 4.25Å; V1101-Y1154 HydrophobicContact CG1-CD2 3.98Å; I1139-Y1154 HydrophobicContact CG2-CE1 4.43Å; P1142-Y1154 HydrophobicContact CB-CD1 4.28Å; P1142-Y1154 HydrophobicContact CB-CD2 4.44Å; P1142-Y1154 HydrophobicContact CB-CE1 3.86Å; P1142-Y1154 HydrophobicContact CB-CE2 4.06Å; P1142-Y1154 HydrophobicContact CG-CE2 4.4Å; E1150-Y1154 VanDerWaalsContact O-CB 3.29Å; E1150-Y1154 WeakPolarHBondContact O-CB 3.43Å; E1150-Y1154 PolarHBondContact O-N 3.06Å; Y1154-R1156 VanDerWaalsContact C-N 3.32Å; Y1154-R1156 PolarHBondContact O-N 3.36Å; Y1154-F1157 HydrophobicContact CD2-CD1 4.11Å; Y1154-F1157 HydrophobicContact CE2-CD1 4.12Å; Y1154-F1157 HydrophobicContact CE2-CE1 4.42Å; Y1154-F1157 PolarHBondContact O-N 3.18Å; Y1154-L1158 HydrophobicContact CD1-CD1 4.02Å; Y1154-L1158 HydrophobicContact CD1-CG 4.45Å; Y1154-L1158 HydrophobicContact CE1-CD1 3.49Å; Y1154-L1158 VanDerWaalsContact CE1-CD1 3.49Å; Y1154-L1158 HydrophobicContact CE1-CG 4.07Å; Y1154-L1158 HydrophobicContact CE2-CD1 4.46Å; Y1154-L1158 HydrophobicContact CE2-CD2 4.32Å; Y1154-L1158 HydrophobicContact CE2-CG 4.16Å; Y1154-L1158 WeakPolarHBondContact O-CG 3.47Å; Y1154-L1158 PolarHBondContact O-N 3.02Å; Y1154-V1243 HydrophobicContact CD1-CG2 4.24Å |
| 1155 | G | 94.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.4 | -33.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114 | A1151 H1152 R1153 C1159 | A1151-G1155 PolarHBondContact O-N 3.42Å; H1152-G1155 PolarHBondContact O-N 2.73Å; R1153-G1155 VanDerWaalsContact C-N 3.31Å; R1153-G1155 PolarHBondContact O-N 2.68Å; G1155-C1159 WeakPolarHBondContact O-CB 3.4Å; G1155-C1159 PolarHBondContact O-N 2.92Å; G1155-C1159 VanDerWaalsContact O-N 3.11Å |
| 1156 | R | 93.7 | Very high | 94 | Very high | 22 Ų | 22 | 18 Ų | 18 | 8% | 0.083 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -71.8 | -44.4 | 173 | -65.8 | -174.7 | -173.8 | -139.5 | 0.6 | 111.6 | E802 M804 I1109 H1152 R1153 Y1154 L1158 C1159 A1160 | E802-R1156 PolarHBondContact O-NH2 3.22Å; M804-R1156 VanDerWaalsContact O-CZ 3.28Å; M804-R1156 PolarHBondContact O-NH1 2.97Å; M804-R1156 PolarHBondContact O-NH2 3Å; I1109-R1156 HydrophobicContact CD1-CB 4.42Å; H1152-R1156 PolarHBondContact NE2-NE 3.41Å; H1152-R1156 PolarHBondContact NE2-NH2 2.98Å; H1152-R1156 PolarHBondContact O-N 2.91Å; R1153-R1156 WeakPolarHBondContact O-CB 3.32Å; R1153-R1156 PolarHBondContact O-N 2.96Å; Y1154-R1156 VanDerWaalsContact C-N 3.32Å; Y1154-R1156 PolarHBondContact O-N 3.36Å; R1156-L1158 PolarHBondContact O-N 3.09Å; R1156-C1159 WeakPolarHBondContact O-CB 3.46Å; R1156-C1159 PolarHBondContact O-N 2.61Å; R1156-C1159 VanDerWaalsContact O-N 3.16Å; R1156-A1160 PolarHBondContact O-N 3.35Å |
| 1157 | F | 95.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -56 | -49.8 | 172.6 | 166.8 | -103.9 | 0 | 0 | 0 | 111.9 | I1097 V1101 A1108 A1111 A1112 M1115 I1135 R1153 Y1154 C1159 A1160 V1161 | I1097-F1157 HydrophobicContact CG2-CE1 4.32Å; I1097-F1157 HydrophobicContact CG2-CE2 3.93Å; I1097-F1157 HydrophobicContact CG2-CZ 3.61Å; V1101-F1157 HydrophobicContact CB-CB 4.46Å; V1101-F1157 HydrophobicContact CB-CG 4.4Å; V1101-F1157 HydrophobicContact CG1-CB 3.56Å; V1101-F1157 HydrophobicContact CG1-CD1 4.07Å; V1101-F1157 HydrophobicContact CG1-CG 3.83Å; V1101-F1157 HydrophobicContact CG2-CB 3.99Å; V1101-F1157 HydrophobicContact CG2-CD1 4.06Å; V1101-F1157 HydrophobicContact CG2-CD2 3.49Å; V1101-F1157 VanDerWaalsContact CG2-CD2 3.49Å; V1101-F1157 HydrophobicContact CG2-CE1 4.43Å; V1101-F1157 HydrophobicContact CG2-CE2 3.9Å; V1101-F1157 HydrophobicContact CG2-CG 3.57Å; V1101-F1157 HydrophobicContact CG2-CZ 4.34Å; A1108-F1157 HydrophobicContact CB-CB 4.22Å; A1111-F1157 HydrophobicContact CB-CD2 4.05Å; A1111-F1157 HydrophobicContact CB-CE2 4.05Å; A1112-F1157 HydrophobicContact CB-CD2 4.02Å; A1112-F1157 HydrophobicContact CB-CE2 4.29Å; M1115-F1157 HydrophobicContact SD-CE2 4.01Å; M1115-F1157 HydrophobicContact SD-CZ 4Å; I1135-F1157 HydrophobicContact CD1-CE1 4.38Å; I1135-F1157 HydrophobicContact CD1-CZ 3.92Å; I1135-F1157 HydrophobicContact CG2-CE1 4.04Å; R1153-F1157 PolarHBondContact O-N 3.49Å; Y1154-F1157 HydrophobicContact CD2-CD1 4.11Å; Y1154-F1157 HydrophobicContact CE2-CD1 4.12Å; Y1154-F1157 HydrophobicContact CE2-CE1 4.42Å; Y1154-F1157 PolarHBondContact O-N 3.18Å; F1157-C1159 VanDerWaalsContact C-N 3.28Å; F1157-C1159 PolarHBondContact O-N 2.9Å; F1157-A1160 PolarHBondContact O-N 3.28Å; F1157-V1161 HydrophobicContact CD2-CG2 4.02Å; F1157-V1161 HydrophobicContact CE1-CG2 4.33Å; F1157-V1161 HydrophobicContact CE2-CG2 3.66Å; F1157-V1161 HydrophobicContact CZ-CG2 3.84Å; F1157-V1161 WeakPolarHBondContact O-CG2 3.46Å; F1157-V1161 PolarHBondContact O-N 2.59Å |
| 1158 | L | 96.3 | Very high | 94.2 | Very high | 3 Ų | 3 | 23.1 Ų | 23.1 | 2% | 0.016 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.5 | -35.6 | 176.4 | -75.3 | -177.6 | 0 | 0 | 0 | 112.5 | I1135 I1139 Y1154 R1156 L1162 V1243 I1247 | I1135-L1158 HydrophobicContact CG2-CD2 3.76Å; I1139-L1158 HydrophobicContact CD1-CD1 4.28Å; I1139-L1158 HydrophobicContact CD1-CD2 4.43Å; I1139-L1158 HydrophobicContact CG2-CD1 4.4Å; Y1154-L1158 HydrophobicContact CD1-CD1 4.02Å; Y1154-L1158 HydrophobicContact CD1-CG 4.45Å; Y1154-L1158 HydrophobicContact CE1-CD1 3.49Å; Y1154-L1158 VanDerWaalsContact CE1-CD1 3.49Å; Y1154-L1158 HydrophobicContact CE1-CG 4.07Å; Y1154-L1158 HydrophobicContact CE2-CD1 4.46Å; Y1154-L1158 HydrophobicContact CE2-CD2 4.32Å; Y1154-L1158 HydrophobicContact CE2-CG 4.16Å; Y1154-L1158 WeakPolarHBondContact O-CG 3.47Å; Y1154-L1158 PolarHBondContact O-N 3.02Å; R1156-L1158 PolarHBondContact O-N 3.09Å; L1158-L1162 VanDerWaalsContact O-CB 3.23Å; L1158-L1162 WeakPolarHBondContact O-CB 3.32Å; L1158-L1162 WeakPolarHBondContact O-CD1 3.17Å; L1158-L1162 VanDerWaalsContact O-CG 3.22Å; L1158-L1162 WeakPolarHBondContact O-CG 3.32Å; L1158-L1162 PolarHBondContact O-N 3.06Å; L1158-V1243 HydrophobicContact CD1-CG1 4.01Å; L1158-I1247 HydrophobicContact CB-CG2 3.67Å |
| 1159 | C | 95.1 | Very high | 94.3 | Very high | 15 Ų | 15 | 21.5 Ų | 21.5 | 10% | 0.101 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -66 | -47.1 | 176.1 | -164.2 | 0 | 0 | 0 | 0 | 111.9 | G1155 R1156 F1157 V1161 L1162 E1163 R1246 | G1155-C1159 WeakPolarHBondContact O-CB 3.4Å; G1155-C1159 PolarHBondContact O-N 2.92Å; G1155-C1159 VanDerWaalsContact O-N 3.11Å; R1156-C1159 WeakPolarHBondContact O-CB 3.46Å; R1156-C1159 PolarHBondContact O-N 2.61Å; R1156-C1159 VanDerWaalsContact O-N 3.16Å; F1157-C1159 VanDerWaalsContact C-N 3.28Å; F1157-C1159 PolarHBondContact O-N 2.9Å; C1159-V1161 PolarHBondContact O-N 3.31Å; C1159-L1162 PolarHBondContact O-N 3.21Å; C1159-E1163 PolarHBondContact O-N 3.29Å; C1159-R1246 PolarHBondContact SG-O 3.5Å |
| 1160 | A | 93.8 | Very high | 94.2 | Very high | 26 Ų | 26 | 23.1 Ų | 23.1 | 22% | 0.215 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.8 | -38.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I1109 A1112 R1156 F1157 E1163 L1164 | I1109-A1160 HydrophobicContact CD1-CB 4.17Å; A1112-A1160 HydrophobicContact CB-CB 3.72Å; R1156-A1160 PolarHBondContact O-N 3.35Å; F1157-A1160 PolarHBondContact O-N 3.28Å; A1160-E1163 PolarHBondContact O-N 3.34Å; A1160-L1164 PolarHBondContact O-N 3.28Å |
| 1161 | V | 95.6 | Very high | 94 | Very high | 5 Ų | 5 | 23.7 Ų | 23.7 | 3% | 0.03 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -69.2 | -38.1 | 173.6 | 177.1 | 0 | 0 | 0 | 0 | 111.3 | A1112 M1115 L1132 F1136 F1157 C1159 E1163 L1164 V1165 | A1112-V1161 HydrophobicContact CB-CG2 3.81Å; M1115-V1161 HydrophobicContact CE-CG2 4.43Å; L1132-V1161 HydrophobicContact CD2-CG1 3.36Å; F1136-V1161 HydrophobicContact CE2-CG1 4.15Å; F1136-V1161 HydrophobicContact CZ-CG1 3.85Å; F1157-V1161 HydrophobicContact CD2-CG2 4.02Å; F1157-V1161 HydrophobicContact CE1-CG2 4.33Å; F1157-V1161 HydrophobicContact CE2-CG2 3.66Å; F1157-V1161 HydrophobicContact CZ-CG2 3.84Å; F1157-V1161 WeakPolarHBondContact O-CG2 3.46Å; F1157-V1161 PolarHBondContact O-N 2.59Å; C1159-V1161 PolarHBondContact O-N 3.31Å; V1161-E1163 VanDerWaalsContact C-N 3.34Å; V1161-L1164 PolarHBondContact O-N 3.31Å; V1161-V1165 WeakPolarHBondContact O-CG2 3.39Å; V1161-V1165 PolarHBondContact O-N 3.15Å; V1161-V1165 VanDerWaalsContact O-N 3.11Å |
| 1162 | L | 94.9 | Very high | 93.8 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.3 | -35.3 | 173.3 | -82.2 | 168 | 0 | 0 | 0 | 112.7 | F1136 L1158 C1159 V1165 M1166 I1221 I1247 Q1250 | F1136-L1162 HydrophobicContact CE1-CD2 3.66Å; F1136-L1162 HydrophobicContact CE1-CG 3.86Å; F1136-L1162 HydrophobicContact CZ-CD2 3.85Å; F1136-L1162 HydrophobicContact CZ-CG 4.1Å; L1158-L1162 VanDerWaalsContact O-CB 3.23Å; L1158-L1162 WeakPolarHBondContact O-CB 3.32Å; L1158-L1162 WeakPolarHBondContact O-CD1 3.17Å; L1158-L1162 VanDerWaalsContact O-CG 3.22Å; L1158-L1162 WeakPolarHBondContact O-CG 3.32Å; L1158-L1162 PolarHBondContact O-N 3.06Å; C1159-L1162 PolarHBondContact O-N 3.21Å; L1162-V1165 PolarHBondContact O-N 3.43Å; L1162-M1166 WeakPolarHBondContact O-CB 3.43Å; L1162-M1166 VanDerWaalsContact O-CG 3.26Å; L1162-M1166 WeakPolarHBondContact O-CG 3.38Å; L1162-M1166 PolarHBondContact O-N 3.27Å; L1162-I1221 HydrophobicContact CD1-CD1 4.32Å; L1162-I1221 HydrophobicContact CD2-CD1 3.91Å; L1162-I1247 HydrophobicContact CD1-CB 4.09Å; L1162-I1247 HydrophobicContact CD1-CG2 4.31Å; L1162-Q1250 HydrophobicContact CB-CB 3.77Å; L1162-Q1250 HydrophobicContact CB-CG 4.3Å |
| 1163 | E | 93.8 | Very high | 93.6 | Very high | 105 Ų | 105 | 35.5 Ų | 35.5 | 49% | 0.491 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.3 | -45.5 | 176.7 | 177.7 | 162.9 | -151.8 | 0 | 0 | 111.8 | C1159 A1160 V1161 V1165 M1166 R1167 Q1250 | C1159-E1163 PolarHBondContact O-N 3.29Å; A1160-E1163 PolarHBondContact O-N 3.34Å; V1161-E1163 VanDerWaalsContact C-N 3.34Å; E1163-V1165 VanDerWaalsContact C-N 3.34Å; E1163-V1165 PolarHBondContact O-N 3.45Å; E1163-M1166 PolarHBondContact O-N 3.36Å; E1163-R1167 WeakPolarHBondContact O-CB 3.38Å; E1163-R1167 PolarHBondContact O-N 3.03Å; E1163-Q1250 HydrophobicContact CB-CG 4.13Å |
| 1164 | L | 92.7 | Very high | 93.4 | Very high | 20 Ų | 20 | 36.9 Ų | 36.9 | 11% | 0.105 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.5 | -45 | 173.3 | -176 | 60.8 | 0 | 0 | 0 | 111.8 | H1116 A1160 V1161 M1166 R1167 W1168 | H1116-L1164 HydrophobicContact CB-CD2 3.83Å; H1116-L1164 VanDerWaalsContact CE1-CD1 3.5Å; H1116-L1164 WeakPolarHBondContact CE1-CD1 3.49Å; A1160-L1164 PolarHBondContact O-N 3.28Å; V1161-L1164 PolarHBondContact O-N 3.31Å; L1164-M1166 VanDerWaalsContact C-N 3.35Å; L1164-M1166 PolarHBondContact O-N 3.19Å; L1164-R1167 WeakPolarHBondContact O-CB 3.49Å; L1164-R1167 PolarHBondContact O-N 2.94Å; L1164-W1168 HydrophobicContact CD1-CD2 4.38Å; L1164-W1168 HydrophobicContact CD1-CH2 4.08Å; L1164-W1168 HydrophobicContact CD1-CZ2 3.46Å; L1164-W1168 VanDerWaalsContact CD1-CZ2 3.46Å; L1164-W1168 HydrophobicContact CD2-CH2 3.62Å; L1164-W1168 HydrophobicContact CD2-CZ2 3.87Å; L1164-W1168 HydrophobicContact CD2-CZ3 4.24Å; L1164-W1168 HydrophobicContact CG-CD2 4.32Å; L1164-W1168 HydrophobicContact CG-CE3 4.35Å; L1164-W1168 HydrophobicContact CG-CH2 3.68Å; L1164-W1168 HydrophobicContact CG-CZ2 3.61Å; L1164-W1168 HydrophobicContact CG-CZ3 4.05Å; L1164-W1168 PolarHBondContact O-N 3.03Å |
| 1165 | V | 94.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.5 | -40.8 | 177.5 | 162.6 | 0 | 0 | 0 | 0 | 112.3 | L1132 F1136 V1161 L1162 E1163 H1169 Y1210 V1214 W1217 | L1132-V1165 HydrophobicContact CD1-CG2 4.04Å; L1132-V1165 HydrophobicContact CD2-CG2 4.29Å; F1136-V1165 HydrophobicContact CE2-CG2 3.96Å; F1136-V1165 HydrophobicContact CZ-CG2 4.24Å; V1161-V1165 WeakPolarHBondContact O-CG2 3.39Å; V1161-V1165 PolarHBondContact O-N 3.15Å; V1161-V1165 VanDerWaalsContact O-N 3.11Å; L1162-V1165 PolarHBondContact O-N 3.43Å; E1163-V1165 VanDerWaalsContact C-N 3.34Å; E1163-V1165 PolarHBondContact O-N 3.45Å; V1165-H1169 PolarHBondContact O-N 3.01Å; V1165-H1169 VanDerWaalsContact O-N 3.14Å; V1165-Y1210 WeakPolarHBondContact CA-OH 3.48Å; V1165-Y1210 PolarHBondContact O-OH 2.87Å; V1165-V1214 HydrophobicContact CG1-CB 4.43Å; V1165-V1214 HydrophobicContact CG1-CG1 3.77Å; V1165-V1214 HydrophobicContact CG1-CG2 3.82Å; V1165-W1217 HydrophobicContact CG1-CE3 3.87Å; V1165-W1217 HydrophobicContact CG1-CZ3 3.94Å; V1165-W1217 HydrophobicContact CG2-CE3 4.22Å; V1165-W1217 HydrophobicContact CG2-CZ3 3.76Å |
| 1166 | M | 93.8 | Very high | 92.9 | Very high | 19 Ų | 19 | 41 Ų | 41 | 9% | 0.094 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -74.2 | -30.9 | 178.3 | -71.3 | -53 | -50.2 | 0 | 0 | 112.6 | L1162 E1163 L1164 W1168 H1169 A1170 V1214 Q1250 K1253 F1303 | L1162-M1166 WeakPolarHBondContact O-CB 3.43Å; L1162-M1166 VanDerWaalsContact O-CG 3.26Å; L1162-M1166 WeakPolarHBondContact O-CG 3.38Å; L1162-M1166 PolarHBondContact O-N 3.27Å; E1163-M1166 PolarHBondContact O-N 3.36Å; L1164-M1166 VanDerWaalsContact C-N 3.35Å; L1164-M1166 PolarHBondContact O-N 3.19Å; M1166-W1168 VanDerWaalsContact C-N 3.35Å; M1166-H1169 HydrophobicContact CE-CB 4.2Å; M1166-H1169 VanDerWaalsContact CE-ND1 3.34Å; M1166-H1169 WeakPolarHBondContact CE-ND1 3.5Å; M1166-H1169 PolarHBondContact O-N 3Å; M1166-H1169 VanDerWaalsContact O-N 3.16Å; M1166-H1169 HydrophobicContact SD-CB 4.5Å; M1166-A1170 WeakPolarHBondContact O-CB 3.41Å; M1166-A1170 PolarHBondContact O-N 3.09Å; M1166-V1214 HydrophobicContact SD-CG1 4.39Å; M1166-Q1250 HydrophobicContact CG-CB 4.4Å; M1166-K1253 HydrophobicContact CE-CD 4.44Å; M1166-K1253 HydrophobicContact CE-CG 4.31Å; M1166-F1303 HydrophobicContact CE-CE2 4.24Å; M1166-F1303 HydrophobicContact SD-CZ 4.46Å |
| 1167 | R | 93.3 | Very high | 92.7 | Very high | 134 Ų | 134 | 46.6 Ų | 46.6 | 51% | 0.506 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.4 | -46.8 | 170.6 | 177.7 | -177.8 | 177.1 | 86.7 | 5 | 111 | E1163 L1164 H1169 A1170 V1174 E1178 | E1163-R1167 WeakPolarHBondContact O-CB 3.38Å; E1163-R1167 PolarHBondContact O-N 3.03Å; L1164-R1167 WeakPolarHBondContact O-CB 3.49Å; L1164-R1167 PolarHBondContact O-N 2.94Å; R1167-H1169 VanDerWaalsContact C-N 3.28Å; R1167-H1169 PolarHBondContact O-N 3.16Å; R1167-A1170 PolarHBondContact O-N 3.12Å; R1167-V1174 HydrophobicContact CG-CG1 4.03Å; R1167-E1178 IonicContact CZ-OE1 3.02Å; R1167-E1178 IonicContact NE-OE1 3.83Å; R1167-E1178 PolarHBondContact NE-OE1 2.88Å; R1167-E1178 IonicContact NE-OE2 2.66Å; R1167-E1178 PolarHBondContact NE-OE2 3.26Å; R1167-E1178 VanDerWaalsContact NE-OE2 3.11Å; R1167-E1178 IonicContact NH2-OE1 3.79Å; R1167-E1178 PolarHBondContact NH2-OE1 2.85Å |
| 1168 | W | 93.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -72.9 | -15.8 | 176.1 | -59.2 | -25 | 0 | 0 | 0 | 114.2 | H1119 T1128 L1132 L1164 M1166 F1175 E1178 F1185 Y1210 | H1119-W1168 AromaticContact CD2-CH2 3.64Å; H1119-W1168 AromaticContact CD2-CZ2 3.4Å; H1119-W1168 WeakPolarHBondContact CD2-CZ2 3.31Å; H1119-W1168 AromaticContact NE2-CH2 3.9Å; H1119-W1168 AromaticContact NE2-CZ2 3.65Å; T1128-W1168 HydrophobicContact CG2-CH2 4.1Å; T1128-W1168 HydrophobicContact CG2-CZ3 4.28Å; L1132-W1168 HydrophobicContact CD1-CZ3 4.02Å; L1164-W1168 HydrophobicContact CD1-CD2 4.38Å; L1164-W1168 HydrophobicContact CD1-CH2 4.08Å; L1164-W1168 HydrophobicContact CD1-CZ2 3.46Å; L1164-W1168 VanDerWaalsContact CD1-CZ2 3.46Å; L1164-W1168 HydrophobicContact CD2-CH2 3.62Å; L1164-W1168 HydrophobicContact CD2-CZ2 3.87Å; L1164-W1168 HydrophobicContact CD2-CZ3 4.24Å; L1164-W1168 HydrophobicContact CG-CD2 4.32Å; L1164-W1168 HydrophobicContact CG-CE3 4.35Å; L1164-W1168 HydrophobicContact CG-CH2 3.68Å; L1164-W1168 HydrophobicContact CG-CZ2 3.61Å; L1164-W1168 HydrophobicContact CG-CZ3 4.05Å; L1164-W1168 PolarHBondContact O-N 3.03Å; M1166-W1168 VanDerWaalsContact C-N 3.35Å; W1168-F1175 HydrophobicContact CB-CD2 4.36Å; W1168-E1178 VanDerWaalsContact CD1-OE2 3.3Å; W1168-E1178 PolarHBondContact NE1-OE2 3.22Å; W1168-F1185 HydrophobicContact CE3-CE2 4.39Å; W1168-F1185 AromaticContact CE3-CZ 3.84Å; W1168-F1185 HydrophobicContact CE3-CZ 3.84Å; W1168-F1185 HydrophobicContact CH2-CE2 4.31Å; W1168-F1185 HydrophobicContact CH2-CZ 4.47Å; W1168-F1185 AromaticContact CZ3-CE2 3.98Å; W1168-F1185 HydrophobicContact CZ3-CE2 3.98Å; W1168-F1185 AromaticContact CZ3-CZ 3.71Å; W1168-F1185 HydrophobicContact CZ3-CZ 3.71Å; W1168-Y1210 HydrophobicContact CB-CE1 3.65Å; W1168-Y1210 WeakPolarHBondContact O-CE1 3.49Å |
| 1169 | H | 93.3 | Very high | 92 | Very high | 22 Ų | 22 | 48 Ų | 48 | 10% | 0.102 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -89.2 | -21.8 | 174.4 | 177.6 | -97 | 0 | 0 | 0 | 112.7 | V1165 M1166 R1167 Y1207 Y1210 F1303 | V1165-H1169 PolarHBondContact O-N 3.01Å; V1165-H1169 VanDerWaalsContact O-N 3.14Å; M1166-H1169 HydrophobicContact CE-CB 4.2Å; M1166-H1169 VanDerWaalsContact CE-ND1 3.34Å; M1166-H1169 WeakPolarHBondContact CE-ND1 3.5Å; M1166-H1169 PolarHBondContact O-N 3Å; M1166-H1169 VanDerWaalsContact O-N 3.16Å; M1166-H1169 HydrophobicContact SD-CB 4.5Å; R1167-H1169 VanDerWaalsContact C-N 3.28Å; R1167-H1169 PolarHBondContact O-N 3.16Å; H1169-Y1207 PolarHBondContact O-OH 3.16Å; H1169-Y1210 HydrophobicContact CB-CE1 4.38Å; H1169-F1303 AromaticContact CD2-CE1 3.95Å; H1169-F1303 AromaticContact CD2-CZ 3.96Å; H1169-F1303 AromaticContact CE1-CD2 3.63Å; H1169-F1303 AromaticContact CE1-CE1 3.86Å; H1169-F1303 AromaticContact CE1-CE2 3.36Å; H1169-F1303 WeakPolarHBondContact CE1-CE2 3.38Å; H1169-F1303 AromaticContact CE1-CG 4Å; H1169-F1303 AromaticContact CE1-CZ 3.48Å; H1169-F1303 VanDerWaalsContact CE1-CZ 3.48Å; H1169-F1303 WeakPolarHBondContact CE1-CZ 3.33Å; H1169-F1303 AromaticContact ND1-CE2 3.92Å; H1169-F1303 AromaticContact ND1-CZ 3.94Å; H1169-F1303 AromaticContact NE2-CD1 3.63Å; H1169-F1303 AromaticContact NE2-CE1 3.38Å; H1169-F1303 WeakPolarHBondContact NE2-CE1 3.49Å; H1169-F1303 AromaticContact NE2-CE2 3.79Å; H1169-F1303 AromaticContact NE2-CG 3.94Å; H1169-F1303 AromaticContact NE2-CZ 3.46Å; H1169-F1303 WeakPolarHBondContact NE2-CZ 3.24Å; H1169-F1303 PolarHBondContact NE2-O 3.39Å |
| 1170 | A | 90.6 | Very high | 91.1 | Very high | 79 Ų | 79 | 48 Ų | 48 | 65% | 0.653 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -76.3 | -21.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | M1166 R1167 | M1166-A1170 WeakPolarHBondContact O-CB 3.41Å; M1166-A1170 PolarHBondContact O-N 3.09Å; R1167-A1170 PolarHBondContact O-N 3.12Å |
| 1171 | S | 90.1 | Very high | 90.5 | Very high | 29 Ų | 29 | 54 Ų | 54 | 20% | 0.203 | 27% | 0.273 | C | S | . | . | trans | -155.8 | 136.9 | 179.4 | 168.2 | 0 | 0 | 0 | 0 | 111.5 | E1173 V1174 F1175 | S1171-E1173 VanDerWaalsContact C-N 3.27Å; S1171-E1173 PolarHBondContact O-N 3.49Å; S1171-E1173 WeakPolarHBondContact OG-CB 3.5Å; S1171-E1173 PolarHBondContact OG-N 3.45Å; S1171-E1173 VanDerWaalsContact OG-N 3.07Å; S1171-V1174 PolarHBondContact O-N 2.98Å; S1171-V1174 PolarHBondContact OG-N 3.41Å; S1171-F1175 PolarHBondContact O-N 3Å | ||
| 1172 | E | 90.7 | Very high | 90 | Very high | 102 Ų | 102 | 55.6 Ų | 55.6 | 48% | 0.477 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.2 | -32.6 | 171.3 | 179.9 | 160 | -164.9 | 0 | 0 | 112 | F1175 N1176 Y1207 | E1172-F1175 PolarHBondContact O-N 3.31Å; E1172-N1176 WeakPolarHBondContact CG-ND2 3.22Å; E1172-N1176 VanDerWaalsContact O-CB 3.29Å; E1172-N1176 WeakPolarHBondContact O-CB 3.48Å; E1172-N1176 VanDerWaalsContact O-CG 3.32Å; E1172-N1176 PolarHBondContact O-N 3.07Å; E1172-N1176 PolarHBondContact O-ND2 3.32Å; E1172-Y1207 HydrophobicContact CB-CD1 3.62Å; E1172-Y1207 HydrophobicContact CB-CD2 4.2Å; E1172-Y1207 HydrophobicContact CB-CE1 3.65Å; E1172-Y1207 HydrophobicContact CB-CE2 4.23Å; E1172-Y1207 HydrophobicContact CB-CG 3.88Å; E1172-Y1207 HydrophobicContact CG-CD1 3.86Å; E1172-Y1207 HydrophobicContact CG-CD2 4.44Å; E1172-Y1207 HydrophobicContact CG-CE1 4.41Å; E1172-Y1207 HydrophobicContact CG-CG 3.86Å; E1172-Y1207 PolarHBondContact N-OH 3Å |
| 1173 | E | 90 | Very high | 89.4 | Confident | 158 Ų | 158 | 57 Ų | 57 | 74% | 0.738 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -64.7 | -46.4 | 177.2 | -54.1 | 175.8 | 142.6 | 0 | 0 | 110.4 | S1171 N1176 Q1177 | S1171-E1173 VanDerWaalsContact C-N 3.27Å; S1171-E1173 PolarHBondContact O-N 3.49Å; S1171-E1173 WeakPolarHBondContact OG-CB 3.5Å; S1171-E1173 PolarHBondContact OG-N 3.45Å; S1171-E1173 VanDerWaalsContact OG-N 3.07Å; E1173-N1176 PolarHBondContact O-N 3.06Å; E1173-Q1177 VanDerWaalsContact O-CB 3.25Å; E1173-Q1177 WeakPolarHBondContact O-CB 3.44Å; E1173-Q1177 PolarHBondContact O-N 3.47Å |
| 1174 | V | 90.5 | Very high | 88.9 | Confident | 32 Ų | 32 | 52.1 Ų | 52.1 | 19% | 0.194 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.2 | -41.5 | 177.2 | 177.7 | 0 | 0 | 0 | 0 | 110.6 | R1167 S1171 Q1177 E1178 | R1167-V1174 HydrophobicContact CG-CG1 4.03Å; S1171-V1174 PolarHBondContact O-N 2.98Å; S1171-V1174 PolarHBondContact OG-N 3.41Å; V1174-Q1177 PolarHBondContact O-N 2.72Å; V1174-E1178 HydrophobicContact CG1-CG 4.34Å; V1174-E1178 WeakPolarHBondContact O-CB 3.19Å; V1174-E1178 PolarHBondContact O-N 2.85Å |
| 1175 | F | 91.1 | Very high | 88.5 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.009 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.2 | -46.9 | 173.5 | -179 | -95.1 | 0 | 0 | 0 | 112.2 | W1168 S1171 E1172 Q1177 C1179 G1180 F1185 L1205 Y1207 Y1210 | W1168-F1175 HydrophobicContact CB-CD2 4.36Å; S1171-F1175 PolarHBondContact O-N 3Å; E1172-F1175 PolarHBondContact O-N 3.31Å; F1175-Q1177 VanDerWaalsContact C-N 3.3Å; F1175-Q1177 PolarHBondContact O-N 2.76Å; F1175-C1179 HydrophobicContact CD2-CB 3.84Å; F1175-C1179 HydrophobicContact CE1-CB 4.5Å; F1175-C1179 HydrophobicContact CE2-CB 3.67Å; F1175-C1179 HydrophobicContact CG-CB 4.32Å; F1175-C1179 HydrophobicContact CZ-CB 4.03Å; F1175-C1179 CarbonylContact O-C 3.52Å; F1175-C1179 WeakPolarHBondContact O-CA 3.42Å; F1175-C1179 VanDerWaalsContact O-CB 3.24Å; F1175-C1179 WeakPolarHBondContact O-CB 3.45Å; F1175-C1179 PolarHBondContact O-N 3Å; F1175-G1180 PolarHBondContact O-N 3.48Å; F1175-F1185 HydrophobicContact CE2-CD1 4.32Å; F1175-F1185 HydrophobicContact CE2-CE1 4.11Å; F1175-F1185 HydrophobicContact CZ-CD1 4.42Å; F1175-L1205 VanDerWaalsContact CE1-O 3.3Å; F1175-L1205 WeakPolarHBondContact CE1-O 3.49Å; F1175-L1205 VanDerWaalsContact CZ-O 3.29Å; F1175-L1205 WeakPolarHBondContact CZ-O 3.39Å; F1175-Y1207 HydrophobicContact CB-CD2 3.62Å; F1175-Y1207 HydrophobicContact CB-CE2 4.02Å; F1175-Y1207 AromaticContact CD1-CD2 3.98Å; F1175-Y1207 HydrophobicContact CD1-CD2 3.98Å; F1175-Y1207 HydrophobicContact CD1-CG 4.47Å; F1175-Y1207 HydrophobicContact CD2-CD2 4.33Å; F1175-Y1207 AromaticContact CG-CD2 3.71Å; F1175-Y1207 HydrophobicContact CG-CD2 3.71Å; F1175-Y1207 HydrophobicContact CG-CE2 4.49Å; F1175-Y1210 AromaticContact CD2-CD1 3.62Å; F1175-Y1210 HydrophobicContact CD2-CD1 3.62Å; F1175-Y1210 HydrophobicContact CD2-CE1 4.16Å; F1175-Y1210 AromaticContact CD2-CG 3.92Å; F1175-Y1210 HydrophobicContact CD2-CG 3.92Å; F1175-Y1210 AromaticContact CE2-CD1 3.62Å; F1175-Y1210 HydrophobicContact CE2-CD1 3.62Å; F1175-Y1210 AromaticContact CE2-CD2 3.95Å; F1175-Y1210 HydrophobicContact CE2-CD2 3.95Å; F1175-Y1210 HydrophobicContact CE2-CE1 4.34Å; F1175-Y1210 AromaticContact CE2-CG 3.39Å; F1175-Y1210 HydrophobicContact CE2-CG 3.39Å; F1175-Y1210 HydrophobicContact CZ-CG 4.18Å |
| 1176 | N | 88.8 | Confident | 87.8 | Confident | 85 Ų | 85 | 52 Ų | 52 | 46% | 0.455 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -70.4 | -25.5 | -179.5 | -74.4 | -34.7 | 0 | 0 | 0 | 112.8 | E1172 E1173 G1180 | E1172-N1176 WeakPolarHBondContact CG-ND2 3.22Å; E1172-N1176 VanDerWaalsContact O-CB 3.29Å; E1172-N1176 WeakPolarHBondContact O-CB 3.48Å; E1172-N1176 VanDerWaalsContact O-CG 3.32Å; E1172-N1176 PolarHBondContact O-N 3.07Å; E1172-N1176 PolarHBondContact O-ND2 3.32Å; E1173-N1176 PolarHBondContact O-N 3.06Å; N1176-G1180 WeakPolarHBondContact O-CA 3.38Å |
| 1177 | Q | 89.1 | Confident | 86.6 | Confident | 140 Ų | 140 | 54.6 Ų | 54.6 | 65% | 0.654 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -81 | -44.3 | 174.9 | -173.7 | 179.4 | 23.2 | 0 | 0 | 113.3 | E1173 V1174 F1175 Y1182 | E1173-Q1177 VanDerWaalsContact O-CB 3.25Å; E1173-Q1177 WeakPolarHBondContact O-CB 3.44Å; E1173-Q1177 PolarHBondContact O-N 3.47Å; V1174-Q1177 PolarHBondContact O-N 2.72Å; F1175-Q1177 VanDerWaalsContact C-N 3.3Å; F1175-Q1177 PolarHBondContact O-N 2.76Å; Q1177-Y1182 WeakPolarHBondContact O-CE2 3.27Å |
| 1178 | E | 90.1 | Very high | 85.1 | Confident | 31 Ų | 31 | 51.5 Ų | 51.5 | 15% | 0.145 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -94.5 | -32.6 | -173.2 | -64.6 | -175 | -170.9 | 0 | 0 | 113.2 | H1119 R1167 W1168 V1174 Y1182 | H1119-E1178 PolarHBondContact NE2-O 3.15Å; R1167-E1178 IonicContact CZ-OE1 3.02Å; R1167-E1178 IonicContact NE-OE1 3.83Å; R1167-E1178 PolarHBondContact NE-OE1 2.88Å; R1167-E1178 IonicContact NE-OE2 2.66Å; R1167-E1178 PolarHBondContact NE-OE2 3.26Å; R1167-E1178 VanDerWaalsContact NE-OE2 3.11Å; R1167-E1178 IonicContact NH2-OE1 3.79Å; R1167-E1178 PolarHBondContact NH2-OE1 2.85Å; W1168-E1178 VanDerWaalsContact CD1-OE2 3.3Å; W1168-E1178 PolarHBondContact NE1-OE2 3.22Å; V1174-E1178 HydrophobicContact CG1-CG 4.34Å; V1174-E1178 WeakPolarHBondContact O-CB 3.19Å; V1174-E1178 PolarHBondContact O-N 2.85Å; E1178-Y1182 VanDerWaalsContact C-CE2 3.47Å; E1178-Y1182 WeakPolarHBondContact O-CD2 3.32Å; E1178-Y1182 WeakPolarHBondContact O-CE1 3.45Å; E1178-Y1182 WeakPolarHBondContact O-CE2 3.47Å |
| 1179 | C | 87.2 | Confident | 83.2 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.014 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | -28.3 | 179.9 | -57.8 | 0 | 0 | 0 | 0 | 113.1 | F1175 Q1181 Y1182 F1185 | F1175-C1179 HydrophobicContact CD2-CB 3.84Å; F1175-C1179 HydrophobicContact CE1-CB 4.5Å; F1175-C1179 HydrophobicContact CE2-CB 3.67Å; F1175-C1179 HydrophobicContact CG-CB 4.32Å; F1175-C1179 HydrophobicContact CZ-CB 4.03Å; F1175-C1179 CarbonylContact O-C 3.52Å; F1175-C1179 WeakPolarHBondContact O-CA 3.42Å; F1175-C1179 VanDerWaalsContact O-CB 3.24Å; F1175-C1179 WeakPolarHBondContact O-CB 3.45Å; F1175-C1179 PolarHBondContact O-N 3Å; C1179-Q1181 PolarHBondContact O-N 3.27Å; C1179-Y1182 WeakPolarHBondContact O-CB 3.39Å; C1179-Y1182 PolarHBondContact O-N 2.92Å; C1179-F1185 HydrophobicContact CB-CD1 4.42Å; C1179-F1185 HydrophobicContact CB-CD2 3.82Å; C1179-F1185 HydrophobicContact CB-CE1 4.44Å; C1179-F1185 HydrophobicContact CB-CE2 3.84Å; C1179-F1185 HydrophobicContact CB-CG 4.11Å; C1179-F1185 HydrophobicContact CB-CZ 4.16Å; C1179-F1185 WeakPolarHBondContact SG-CE2 3.28Å; C1179-F1185 VanDerWaalsContact SG-CZ 3.58Å |
| 1180 | G | 76.8 | Confident | 81.2 | Confident | 14 Ų | 14 | 64.1 Ų | 64.1 | 14% | 0.144 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 124.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F1175 N1176 Y1182 | F1175-G1180 PolarHBondContact O-N 3.48Å; N1176-G1180 WeakPolarHBondContact O-CA 3.38Å; G1180-Y1182 VanDerWaalsContact C-N 3.26Å; G1180-Y1182 WeakPolarHBondContact O-CD2 3.35Å; G1180-Y1182 PolarHBondContact O-N 2.74Å |
| 1181 | Q | 79.3 | Confident | 79 | Confident | 152 Ų | 152 | 68.3 Ų | 68.3 | 71% | 0.71 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 16.2 | -174.4 | -41.1 | 177.9 | 23.4 | 0 | 0 | 115.4 | C1179 | C1179-Q1181 PolarHBondContact O-N 3.27Š|
| 1182 | Y | 86.3 | Confident | 76.6 | Confident | 40 Ų | 40 | 73.2 Ų | 73.2 | 16% | 0.157 | 36% | 0.361 | C | S | . | . | trans | -88.4 | 137.6 | 174 | -72.2 | -117 | 0 | 0 | 0 | 110.8 | H1119 K1122 Q1177 E1178 C1179 G1180 G1184 F1185 | H1119-Y1182 AromaticContact CE1-CD1 3.78Å; H1119-Y1182 AromaticContact CE1-CG 3.86Å; H1119-Y1182 AromaticContact NE2-CD1 3.84Å; H1119-Y1182 WeakPolarHBondContact O-CD1 3.47Å; K1122-Y1182 HydrophobicContact CD-CD1 4.07Å; K1122-Y1182 HydrophobicContact CD-CE1 4.08Å; K1122-Y1182 HydrophobicContact CD-CG 4.39Å; K1122-Y1182 VanDerWaalsContact CE-CD1 3.48Å; K1122-Y1182 HydrophobicContact CG-CD1 3.43Å; K1122-Y1182 VanDerWaalsContact CG-CD1 3.43Å; K1122-Y1182 HydrophobicContact CG-CE1 3.6Å; K1122-Y1182 HydrophobicContact CG-CG 4.12Å; Q1177-Y1182 WeakPolarHBondContact O-CE2 3.27Å; E1178-Y1182 VanDerWaalsContact C-CE2 3.47Å; E1178-Y1182 WeakPolarHBondContact O-CD2 3.32Å; E1178-Y1182 WeakPolarHBondContact O-CE1 3.45Å; E1178-Y1182 WeakPolarHBondContact O-CE2 3.47Å; C1179-Y1182 WeakPolarHBondContact O-CB 3.39Å; C1179-Y1182 PolarHBondContact O-N 2.92Å; G1180-Y1182 VanDerWaalsContact C-N 3.26Å; G1180-Y1182 WeakPolarHBondContact O-CD2 3.35Å; G1180-Y1182 PolarHBondContact O-N 2.74Å; Y1182-G1184 PolarHBondContact O-N 2.78Å; Y1182-F1185 PolarHBondContact O-N 2.94Å; Y1182-F1185 VanDerWaalsContact O-N 3.14Å | ||
| 1183 | P | 83 | Confident | 74.1 | Confident | 30 Ų | 30 | 76.8 Ų | 76.8 | 20% | 0.195 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -63.5 | -17.6 | -176.5 | 25.8 | -34.5 | 0 | 0 | 0 | 113.6 | K1122 F1185 | K1122-P1183 HydrophobicContact CB-CG 4.28Å; K1122-P1183 WeakPolarHBondContact O-CG 3.34Å; P1183-F1185 VanDerWaalsContact C-N 3.3Å; P1183-F1185 PolarHBondContact O-N 3.05Å |
| 1184 | G | 82.5 | Confident | 71.5 | Confident | 3 Ų | 3 | 78.1 Ų | 78.1 | 3% | 0.031 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -67.3 | -23.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | S1127 L1129 Y1182 | S1127-G1184 PolarHBondContact OG-O 3.39Å; L1129-G1184 WeakPolarHBondContact CB-O 3.17Å; L1129-G1184 PolarHBondContact N-O 3.26Å; Y1182-G1184 PolarHBondContact O-N 2.78Å |
| 1185 | F | 85 | Confident | 69 | Low | 3 Ų | 3 | 80.3 Ų | 80.3 | 1% | 0.013 | 41% | 0.407 | C | S | . | . | G | 310 helix | trans | -114.1 | 3.2 | -173.5 | -79.6 | -92.3 | 0 | 0 | 0 | 114.6 | H1119 T1128 L1129 W1168 F1175 C1179 Y1182 P1183 T1187 L1205 Y1210 | H1119-F1185 AromaticContact CE1-CD2 3.58Å; H1119-F1185 AromaticContact CE1-CE2 3.44Å; H1119-F1185 VanDerWaalsContact CE1-CE2 3.44Å; H1119-F1185 WeakPolarHBondContact CE1-CE2 3.35Å; T1128-F1185 HydrophobicContact CG2-CE2 4.37Å; L1129-F1185 HydrophobicContact CD1-CD1 4.3Å; L1129-F1185 HydrophobicContact CD1-CE1 4.09Å; W1168-F1185 HydrophobicContact CE3-CE2 4.39Å; W1168-F1185 AromaticContact CE3-CZ 3.84Å; W1168-F1185 HydrophobicContact CE3-CZ 3.84Å; W1168-F1185 HydrophobicContact CH2-CE2 4.31Å; W1168-F1185 HydrophobicContact CH2-CZ 4.47Å; W1168-F1185 AromaticContact CZ3-CE2 3.98Å; W1168-F1185 HydrophobicContact CZ3-CE2 3.98Å; W1168-F1185 AromaticContact CZ3-CZ 3.71Å; W1168-F1185 HydrophobicContact CZ3-CZ 3.71Å; F1175-F1185 HydrophobicContact CE2-CD1 4.32Å; F1175-F1185 HydrophobicContact CE2-CE1 4.11Å; F1175-F1185 HydrophobicContact CZ-CD1 4.42Å; C1179-F1185 HydrophobicContact CB-CD1 4.42Å; C1179-F1185 HydrophobicContact CB-CD2 3.82Å; C1179-F1185 HydrophobicContact CB-CE1 4.44Å; C1179-F1185 HydrophobicContact CB-CE2 3.84Å; C1179-F1185 HydrophobicContact CB-CG 4.11Å; C1179-F1185 HydrophobicContact CB-CZ 4.16Å; C1179-F1185 WeakPolarHBondContact SG-CE2 3.28Å; C1179-F1185 VanDerWaalsContact SG-CZ 3.58Å; Y1182-F1185 PolarHBondContact O-N 2.94Å; Y1182-F1185 VanDerWaalsContact O-N 3.14Å; P1183-F1185 VanDerWaalsContact C-N 3.3Å; P1183-F1185 PolarHBondContact O-N 3.05Å; F1185-T1187 PolarHBondContact O-N 3.09Å; F1185-L1205 HydrophobicContact CD1-CB 4.3Å; F1185-L1205 HydrophobicContact CD1-CD2 3.89Å; F1185-L1205 HydrophobicContact CE1-CD2 4.25Å; F1185-L1205 PolarHBondContact O-N 2.87Å; F1185-L1205 VanDerWaalsContact O-N 3.11Å; F1185-Y1210 AromaticContact CE1-CD2 3.8Å; F1185-Y1210 HydrophobicContact CE1-CD2 3.8Å; F1185-Y1210 AromaticContact CE1-CE2 3.88Å; F1185-Y1210 HydrophobicContact CE1-CE2 3.88Å; F1185-Y1210 HydrophobicContact CZ-CE2 4.3Å |
| 1186 | V | 78.2 | Confident | 66.5 | Low | 14 Ų | 14 | 87.3 Ų | 87.3 | 9% | 0.085 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 120.1 | 170 | 170.2 | 0 | 0 | 0 | 0 | 109.4 | F1189 P1202 D1203 Q1204 | V1186-F1189 HydrophobicContact CB-CD2 4.29Å; V1186-F1189 HydrophobicContact CB-CE2 3.46Å; V1186-F1189 VanDerWaalsContact CB-CE2 3.46Å; V1186-F1189 HydrophobicContact CB-CZ 3.7Å; V1186-F1189 HydrophobicContact CG1-CD1 4.48Å; V1186-F1189 HydrophobicContact CG1-CD2 3.6Å; V1186-F1189 HydrophobicContact CG1-CE1 4.2Å; V1186-F1189 HydrophobicContact CG1-CE2 3.24Å; V1186-F1189 HydrophobicContact CG1-CG 4.21Å; V1186-F1189 HydrophobicContact CG1-CZ 3.58Å; V1186-F1189 HydrophobicContact CG2-CE2 4.49Å; V1186-F1189 HydrophobicContact CG2-CZ 4.27Å; V1186-P1202 HydrophobicContact CG1-CB 3.7Å; V1186-P1202 HydrophobicContact CG2-CB 4.17Å; V1186-P1202 HydrophobicContact CG2-CG 4.3Å; V1186-D1203 WeakPolarHBondContact CA-O 3.23Å; V1186-Q1204 HydrophobicContact CG2-CG 4.09Å |
| 1187 | T | 69.1 | Low | 64.1 | Low | 74 Ų | 74 | 89.1 Ų | 89.1 | 45% | 0.454 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | -34.1 | -173.2 | 56.7 | 0 | 0 | 0 | 0 | 112.6 | L1129 F1185 D1203 L1205 | L1129-T1187 HydrophobicContact CD2-CG2 4.41Å; F1185-T1187 PolarHBondContact O-N 3.09Å; T1187-D1203 PolarHBondContact N-O 3.43Å; T1187-D1203 PolarHBondContact OG1-O 3.19Å; T1187-L1205 HydrophobicContact CG2-CB 4.09Å; T1187-L1205 HydrophobicContact CG2-CD1 4.05Å |
| 1188 | V | 62.6 | Low | 61.9 | Low | 69 Ų | 69 | 87.6 Ų | 87.6 | 42% | 0.418 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 109.7 | -178.5 | -175.1 | 0 | 0 | 0 | 0 | 111.2 | R1190 D1203 | V1188-R1190 HydrophobicContact CG1-CG 4Å; V1188-D1203 HydrophobicContact CB-CB 4.36Å |
| 1189 | F | 53.1 | Low | 59.9 | Low | 115 Ų | 115 | 93.7 Ų | 93.7 | 50% | 0.504 | 50% | 0.498 | S | S | . | . | trans | -96.3 | 100.2 | 162.4 | -72.9 | -95.7 | 0 | 0 | 0 | 108.7 | V1186 K1191 | V1186-F1189 HydrophobicContact CB-CD2 4.29Å; V1186-F1189 HydrophobicContact CB-CE2 3.46Å; V1186-F1189 VanDerWaalsContact CB-CE2 3.46Å; V1186-F1189 HydrophobicContact CB-CZ 3.7Å; V1186-F1189 HydrophobicContact CG1-CD1 4.48Å; V1186-F1189 HydrophobicContact CG1-CD2 3.6Å; V1186-F1189 HydrophobicContact CG1-CE1 4.2Å; V1186-F1189 HydrophobicContact CG1-CE2 3.24Å; V1186-F1189 HydrophobicContact CG1-CG 4.21Å; V1186-F1189 HydrophobicContact CG1-CZ 3.58Å; V1186-F1189 HydrophobicContact CG2-CE2 4.49Å; V1186-F1189 HydrophobicContact CG2-CZ 4.27Å; F1189-K1191 PolarHBondContact O-N 3.1Å | ||
| 1190 | R | 50.1 | Low | 58.1 | Low | 172 Ų | 172 | 97.7 Ų | 97.7 | 65% | 0.649 | 52% | 0.523 | S | S | * | . | trans | -66.2 | 132.4 | 170.7 | -59.4 | -175 | -168.3 | -179.7 | 6.1 | 108.5 | V1188 T1192 D1203 | V1188-R1190 HydrophobicContact CG1-CG 4Å; R1190-T1192 PolarHBondContact O-N 3.3Å; R1190-D1203 IonicContact NH2-OD2 3.41Å | ||
| 1191 | K | 46.1 | Very low | 57 | Low | 167 Ų | 167 | 105.6 Ų | 105.6 | 73% | 0.726 | 55% | 0.553 | S | S | * | * | trans | -65.8 | 107 | 171.7 | -81.4 | -173.1 | 174.6 | -177 | 0 | 108.7 | F1189 Y1193 | F1189-K1191 PolarHBondContact O-N 3.1Å; K1191-Y1193 HydrophobicContact CB-CD2 3.98Å; K1191-Y1193 HydrophobicContact CB-CE2 3.9Å; K1191-Y1193 HydrophobicContact CD-CE2 3.69Å; K1191-Y1193 HydrophobicContact CG-CE2 4.47Å; K1191-Y1193 PolarHBondContact O-N 3.42Å | ||
| 1192 | T | 39.3 | Very low | 55.9 | Low | 132 Ų | 132 | 101.4 Ų | 101.4 | 81% | 0.81 | 54% | 0.539 | S | S | * | . | trans | -71.8 | 77.7 | 169.6 | 35.6 | 0 | 0 | 0 | 0 | 110.5 | R1190 Q1194 | R1190-T1192 PolarHBondContact O-N 3.3Å; T1192-Q1194 PolarHBondContact O-N 3.18Å | ||
| 1193 | Y | 38.5 | Very low | 54.9 | Low | 177 Ų | 177 | 103.2 Ų | 103.2 | 69% | 0.694 | 55% | 0.551 | S | S | * | * | trans | -68.3 | 119 | 157.8 | -72 | -78.7 | 0 | 0 | 0 | 108.3 | K1191 | K1191-Y1193 HydrophobicContact CB-CD2 3.98Å; K1191-Y1193 HydrophobicContact CB-CE2 3.9Å; K1191-Y1193 HydrophobicContact CD-CE2 3.69Å; K1191-Y1193 HydrophobicContact CG-CE2 4.47Å; K1191-Y1193 PolarHBondContact O-N 3.42Å | ||
| 1194 | Q | 35.5 | Very low | 54.5 | Low | 187 Ų | 187 | 105.5 Ų | 105.5 | 87% | 0.874 | 56% | 0.56 | S | S | * | * | S | Bend | trans | 27 | 98.9 | 155.8 | -66.7 | 170.3 | -25.8 | 0 | 0 | 117.5 | T1192 | T1192-Q1194 PolarHBondContact O-N 3.18Š|
| 1195 | G | 38.3 | Very low | 54.5 | Low | 78 Ų | 78 | 106.5 Ų | 106.5 | 80% | 0.804 | 56% | 0.564 | S | S | * | * | S | Bend | trans | 114.2 | -7.3 | 138 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||
| 1196 | L | 36.9 | Very low | 54.5 | Low | 149 Ų | 149 | 112.9 Ų | 112.9 | 78% | 0.78 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -130.2 | 144.5 | 175.9 | -75 | 94.3 | 0 | 0 | 0 | 114.2 | ||
| 1197 | D | 38.3 | Very low | 55 | Low | 122 Ų | 122 | 113.4 Ų | 113.4 | 65% | 0.652 | 59% | 0.594 | S | S | * | * | trans | 51 | 71.6 | 162.4 | -59 | -16.2 | 0 | 0 | 0 | 119.4 | N1199 | D1197-N1199 PolarHBondContact O-N 3.04Š| ||
| 1198 | A | 44.8 | Very low | 56 | Low | 108 Ų | 108 | 112.2 Ų | 112.2 | 89% | 0.893 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -1.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 1199 | N | 46 | Very low | 57.2 | Low | 159 Ų | 159 | 112.5 Ų | 112.5 | 85% | 0.85 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -5 | -176.9 | -85 | -18.8 | 0 | 0 | 0 | 115 | D1197 K1201 | D1197-N1199 PolarHBondContact O-N 3.04Å; N1199-K1201 PolarHBondContact O-N 3.31Å; N1199-K1201 VanDerWaalsContact O-N 3.09Å |
| 1200 | T | 50.3 | Low | 59 | Low | 87 Ų | 87 | 107 Ų | 107 | 53% | 0.534 | 56% | 0.559 | S | S | . | * | trans | -75 | 102.1 | 176.9 | -53.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1201 | K | 53.3 | Low | 61.1 | Low | 179 Ų | 179 | 100.7 Ų | 100.7 | 78% | 0.778 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 139.9 | 174 | -70.6 | -179.2 | 179.2 | 176.9 | 0 | 110.1 | N1199 | N1199-K1201 PolarHBondContact O-N 3.31Å; N1199-K1201 VanDerWaalsContact O-N 3.09Å |
| 1202 | P | 57.9 | Low | 63.2 | Low | 64 Ų | 64 | 95.7 Ų | 95.7 | 42% | 0.416 | 51% | 0.514 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 136.4 | 177 | 27.2 | -34 | 0 | 0 | 0 | 111 | V1186 Q1204 | V1186-P1202 HydrophobicContact CG1-CB 3.7Å; V1186-P1202 HydrophobicContact CG2-CB 4.17Å; V1186-P1202 HydrophobicContact CG2-CG 4.3Å; P1202-Q1204 PolarHBondContact O-N 3.09Å |
| 1203 | D | 64.6 | Low | 65.8 | Low | 78 Ų | 78 | 90.8 Ų | 90.8 | 42% | 0.417 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 117.1 | 178 | -69 | -54.3 | 0 | 0 | 0 | 110.3 | V1186 T1187 V1188 R1190 | V1186-D1203 WeakPolarHBondContact CA-O 3.23Å; T1187-D1203 PolarHBondContact N-O 3.43Å; T1187-D1203 PolarHBondContact OG1-O 3.19Å; V1188-D1203 HydrophobicContact CB-CB 4.36Å; R1190-D1203 IonicContact NH2-OD2 3.41Å |
| 1204 | Q | 73.5 | Confident | 68.4 | Low | 79 Ų | 79 | 82.4 Ų | 82.4 | 37% | 0.369 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 146.7 | 178.7 | -69.1 | 172.9 | 41.2 | 0 | 0 | 110.1 | V1186 P1202 Q1206 | V1186-Q1204 HydrophobicContact CG2-CG 4.09Å; P1202-Q1204 PolarHBondContact O-N 3.09Å; Q1204-Q1206 PolarHBondContact O-N 2.74Å; Q1204-Q1206 VanDerWaalsContact O-N 3.15Å |
| 1205 | L | 82.5 | Confident | 71.2 | Confident | 23 Ų | 23 | 74.9 Ų | 74.9 | 12% | 0.12 | 42% | 0.416 | C | S | . | . | trans | -64.1 | 114.2 | 172.3 | -167.8 | 71.5 | 0 | 0 | 0 | 109.8 | L1129 F1175 F1185 T1187 N1209 Y1210 | L1129-L1205 HydrophobicContact CD1-CD2 3.88Å; L1129-L1205 HydrophobicContact CD2-CD2 4Å; F1175-L1205 VanDerWaalsContact CE1-O 3.3Å; F1175-L1205 WeakPolarHBondContact CE1-O 3.49Å; F1175-L1205 VanDerWaalsContact CZ-O 3.29Å; F1175-L1205 WeakPolarHBondContact CZ-O 3.39Å; F1185-L1205 HydrophobicContact CD1-CB 4.3Å; F1185-L1205 HydrophobicContact CD1-CD2 3.89Å; F1185-L1205 HydrophobicContact CE1-CD2 4.25Å; F1185-L1205 PolarHBondContact O-N 2.87Å; F1185-L1205 VanDerWaalsContact O-N 3.11Å; T1187-L1205 HydrophobicContact CG2-CB 4.09Å; T1187-L1205 HydrophobicContact CG2-CD1 4.05Å; L1205-N1209 HydrophobicContact CD1-CB 3.65Å; L1205-N1209 HydrophobicContact CG-CB 4.22Å; L1205-Y1210 HydrophobicContact CD2-CD2 3.94Å; L1205-Y1210 HydrophobicContact CD2-CG 4.35Å | ||
| 1206 | Q | 84.8 | Confident | 73.8 | Confident | 137 Ų | 137 | 74.7 Ų | 74.7 | 64% | 0.64 | 39% | 0.393 | S | S | * | . | trans | -69.9 | 157.8 | 173.2 | -65.2 | 171.2 | -20.8 | 0 | 0 | 111.2 | Q1204 E1208 N1209 Y1210 | Q1204-Q1206 PolarHBondContact O-N 2.74Å; Q1204-Q1206 VanDerWaalsContact O-N 3.15Å; Q1206-E1208 PolarHBondContact O-N 3.41Å; Q1206-N1209 CarbonylContact O-C 3.56Å; Q1206-N1209 WeakPolarHBondContact O-CA 3.48Å; Q1206-N1209 WeakPolarHBondContact O-CB 3.33Å; Q1206-N1209 PolarHBondContact O-N 3.33Å; Q1206-N1209 VanDerWaalsContact O-N 3.09Å; Q1206-N1209 PolarHBondContact OE1-ND2 2.77Å; Q1206-Y1210 PolarHBondContact O-N 3.49Å | ||
| 1207 | Y | 89.7 | Confident | 76.6 | Confident | 25 Ų | 25 | 67.7 Ų | 67.7 | 10% | 0.098 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -56.2 | -49 | -174.4 | 178.2 | -118.1 | 0 | 0 | 0 | 114.4 | H1169 E1172 F1175 N1209 Y1210 R1211 | H1169-Y1207 PolarHBondContact O-OH 3.16Å; E1172-Y1207 HydrophobicContact CB-CD1 3.62Å; E1172-Y1207 HydrophobicContact CB-CD2 4.2Å; E1172-Y1207 HydrophobicContact CB-CE1 3.65Å; E1172-Y1207 HydrophobicContact CB-CE2 4.23Å; E1172-Y1207 HydrophobicContact CB-CG 3.88Å; E1172-Y1207 HydrophobicContact CG-CD1 3.86Å; E1172-Y1207 HydrophobicContact CG-CD2 4.44Å; E1172-Y1207 HydrophobicContact CG-CE1 4.41Å; E1172-Y1207 HydrophobicContact CG-CG 3.86Å; E1172-Y1207 PolarHBondContact N-OH 3Å; F1175-Y1207 HydrophobicContact CB-CD2 3.62Å; F1175-Y1207 HydrophobicContact CB-CE2 4.02Å; F1175-Y1207 AromaticContact CD1-CD2 3.98Å; F1175-Y1207 HydrophobicContact CD1-CD2 3.98Å; F1175-Y1207 HydrophobicContact CD1-CG 4.47Å; F1175-Y1207 HydrophobicContact CD2-CD2 4.33Å; F1175-Y1207 AromaticContact CG-CD2 3.71Å; F1175-Y1207 HydrophobicContact CG-CD2 3.71Å; F1175-Y1207 HydrophobicContact CG-CE2 4.49Å; Y1207-N1209 VanDerWaalsContact C-N 3.33Å; Y1207-N1209 PolarHBondContact O-N 3.46Å; Y1207-Y1210 CarbonylContact O-C 3.54Å; Y1207-Y1210 WeakPolarHBondContact O-CA 3.5Å; Y1207-Y1210 VanDerWaalsContact O-CB 3.31Å; Y1207-Y1210 WeakPolarHBondContact O-CB 3.46Å; Y1207-Y1210 PolarHBondContact O-N 2.92Å; Y1207-R1211 HydrophobicContact CE1-CG 4.35Å; Y1207-R1211 HydrophobicContact CE2-CG 4.32Å; Y1207-R1211 PolarHBondContact O-N 3.4Å |
| 1208 | E | 89.2 | Confident | 79.3 | Confident | 49 Ų | 49 | 61.9 Ų | 61.9 | 23% | 0.229 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63 | -38.1 | 176 | -72 | -57.9 | 133.6 | 0 | 0 | 112.6 | Q1206 Y1210 R1211 H1212 L1305 | Q1206-E1208 PolarHBondContact O-N 3.41Å; E1208-Y1210 PolarHBondContact O-N 3.29Å; E1208-R1211 PolarHBondContact O-N 2.86Å; E1208-R1211 VanDerWaalsContact O-N 3.1Å; E1208-R1211 VanDerWaalsContact OE1-CD 3.22Å; E1208-R1211 WeakPolarHBondContact OE1-CD 3.42Å; E1208-R1211 IonicContact OE1-CZ 2.72Å; E1208-R1211 IonicContact OE1-NE 3.97Å; E1208-R1211 IonicContact OE1-NH1 3.18Å; E1208-R1211 PolarHBondContact OE1-NH1 3.1Å; E1208-R1211 IonicContact OE2-CZ 3.91Å; E1208-R1211 IonicContact OE2-NE 2.84Å; E1208-R1211 IonicContact OE2-NH1 2.67Å; E1208-R1211 PolarHBondContact OE2-NH1 2.71Å; E1208-H1212 PolarHBondContact O-CD2 3.26Å; E1208-H1212 PolarHBondContact O-N 2.91Å; E1208-L1305 HydrophobicContact CG-CD1 4.08Å; E1208-L1305 PolarHBondContact OE2-N 2.66Å |
| 1209 | N | 89 | Confident | 81.7 | Confident | 75 Ų | 75 | 61.9 Ų | 61.9 | 40% | 0.401 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.1 | -31.5 | 173.4 | -74.8 | -59.5 | 0 | 0 | 0 | 111.9 | L1205 Q1206 Y1207 V1213 | L1205-N1209 HydrophobicContact CD1-CB 3.65Å; L1205-N1209 HydrophobicContact CG-CB 4.22Å; Q1206-N1209 CarbonylContact O-C 3.56Å; Q1206-N1209 WeakPolarHBondContact O-CA 3.48Å; Q1206-N1209 WeakPolarHBondContact O-CB 3.33Å; Q1206-N1209 PolarHBondContact O-N 3.33Å; Q1206-N1209 VanDerWaalsContact O-N 3.09Å; Q1206-N1209 PolarHBondContact OE1-ND2 2.77Å; Y1207-N1209 VanDerWaalsContact C-N 3.33Å; Y1207-N1209 PolarHBondContact O-N 3.46Å; N1209-V1213 WeakPolarHBondContact O-CG2 3.36Å; N1209-V1213 PolarHBondContact O-N 2.68Å |
| 1210 | Y | 91.4 | Very high | 84 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.2 | -45.8 | 168.2 | 179.1 | -110.1 | 0 | 0 | 0 | 112.4 | V1165 W1168 H1169 F1175 F1185 L1205 Q1206 Y1207 E1208 H1212 V1213 V1214 W1217 | V1165-Y1210 WeakPolarHBondContact CA-OH 3.48Å; V1165-Y1210 PolarHBondContact O-OH 2.87Å; W1168-Y1210 HydrophobicContact CB-CE1 3.65Å; W1168-Y1210 WeakPolarHBondContact O-CE1 3.49Å; H1169-Y1210 HydrophobicContact CB-CE1 4.38Å; F1175-Y1210 AromaticContact CD2-CD1 3.62Å; F1175-Y1210 HydrophobicContact CD2-CD1 3.62Å; F1175-Y1210 HydrophobicContact CD2-CE1 4.16Å; F1175-Y1210 AromaticContact CD2-CG 3.92Å; F1175-Y1210 HydrophobicContact CD2-CG 3.92Å; F1175-Y1210 AromaticContact CE2-CD1 3.62Å; F1175-Y1210 HydrophobicContact CE2-CD1 3.62Å; F1175-Y1210 AromaticContact CE2-CD2 3.95Å; F1175-Y1210 HydrophobicContact CE2-CD2 3.95Å; F1175-Y1210 HydrophobicContact CE2-CE1 4.34Å; F1175-Y1210 AromaticContact CE2-CG 3.39Å; F1175-Y1210 HydrophobicContact CE2-CG 3.39Å; F1175-Y1210 HydrophobicContact CZ-CG 4.18Å; F1185-Y1210 AromaticContact CE1-CD2 3.8Å; F1185-Y1210 HydrophobicContact CE1-CD2 3.8Å; F1185-Y1210 AromaticContact CE1-CE2 3.88Å; F1185-Y1210 HydrophobicContact CE1-CE2 3.88Å; F1185-Y1210 HydrophobicContact CZ-CE2 4.3Å; L1205-Y1210 HydrophobicContact CD2-CD2 3.94Å; L1205-Y1210 HydrophobicContact CD2-CG 4.35Å; Q1206-Y1210 PolarHBondContact O-N 3.49Å; Y1207-Y1210 CarbonylContact O-C 3.54Å; Y1207-Y1210 WeakPolarHBondContact O-CA 3.5Å; Y1207-Y1210 VanDerWaalsContact O-CB 3.31Å; Y1207-Y1210 WeakPolarHBondContact O-CB 3.46Å; Y1207-Y1210 PolarHBondContact O-N 2.92Å; E1208-Y1210 PolarHBondContact O-N 3.29Å; Y1210-H1212 VanDerWaalsContact C-N 3.3Å; Y1210-H1212 PolarHBondContact O-N 3.46Å; Y1210-V1213 CarbonylContact O-C 3.5Å; Y1210-V1213 WeakPolarHBondContact O-CA 3.44Å; Y1210-V1213 WeakPolarHBondContact O-CB 3.48Å; Y1210-V1213 PolarHBondContact O-N 3.43Å; Y1210-V1214 HydrophobicContact CD1-CG2 4.05Å; Y1210-V1214 HydrophobicContact CD2-CG2 4.18Å; Y1210-V1214 HydrophobicContact CE1-CG2 3.52Å; Y1210-V1214 HydrophobicContact CE2-CG2 3.69Å; Y1210-V1214 HydrophobicContact CG-CG2 4.35Å; Y1210-V1214 WeakPolarHBondContact O-CG2 3.27Å; Y1210-V1214 PolarHBondContact O-N 2.82Å; Y1210-W1217 HydrophobicContact CE2-CH2 4.25Å; Y1210-W1217 HydrophobicContact CE2-CZ3 4.04Å |
| 1211 | R | 92.5 | Very high | 86.1 | Confident | 39 Ų | 39 | 55 Ų | 55 | 15% | 0.147 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.5 | -42 | 175.7 | -64.3 | 175.1 | 70.6 | -178.6 | 7.9 | 112.1 | Y1207 E1208 V1213 V1214 H1215 E1302 F1303 H1304 | Y1207-R1211 HydrophobicContact CE1-CG 4.35Å; Y1207-R1211 HydrophobicContact CE2-CG 4.32Å; Y1207-R1211 PolarHBondContact O-N 3.4Å; E1208-R1211 PolarHBondContact O-N 2.86Å; E1208-R1211 VanDerWaalsContact O-N 3.1Å; E1208-R1211 VanDerWaalsContact OE1-CD 3.22Å; E1208-R1211 WeakPolarHBondContact OE1-CD 3.42Å; E1208-R1211 IonicContact OE1-CZ 2.72Å; E1208-R1211 IonicContact OE1-NE 3.97Å; E1208-R1211 IonicContact OE1-NH1 3.18Å; E1208-R1211 PolarHBondContact OE1-NH1 3.1Å; E1208-R1211 IonicContact OE2-CZ 3.91Å; E1208-R1211 IonicContact OE2-NE 2.84Å; E1208-R1211 IonicContact OE2-NH1 2.67Å; E1208-R1211 PolarHBondContact OE2-NH1 2.71Å; R1211-V1213 VanDerWaalsContact C-N 3.35Å; R1211-V1213 PolarHBondContact O-N 3.07Å; R1211-V1214 PolarHBondContact O-N 2.94Å; R1211-H1215 WeakPolarHBondContact O-CB 3.24Å; R1211-H1215 PolarHBondContact O-N 3.5Å; R1211-E1302 PolarHBondContact NH2-O 3.1Å; R1211-F1303 PolarHBondContact NE-O 3.08Å; R1211-F1303 VanDerWaalsContact NH2-C 3.3Å; R1211-F1303 PolarHBondContact NH2-O 3.26Å; R1211-H1304 HydrophobicContact CB-CB 3.83Å |
| 1212 | H | 91.9 | Very high | 88.1 | Confident | 63 Ų | 63 | 47 Ų | 47 | 29% | 0.292 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.9 | -40.7 | 171.4 | -74.6 | -65 | 0 | 0 | 0 | 113.2 | E1208 Y1210 H1215 K1216 H1304 L1305 | E1208-H1212 PolarHBondContact O-CD2 3.26Å; E1208-H1212 PolarHBondContact O-N 2.91Å; Y1210-H1212 VanDerWaalsContact C-N 3.3Å; Y1210-H1212 PolarHBondContact O-N 3.46Å; H1212-H1215 PolarHBondContact O-N 3.13Å; H1212-K1216 PolarHBondContact O-N 2.91Å; H1212-H1304 AromaticContact CE1-ND1 3.4Å; H1212-H1304 PolarHBondContact CE1-ND1 3.4Å; H1212-H1304 AromaticContact ND1-CE1 3.66Å; H1212-H1304 AromaticContact ND1-CG 3.88Å; H1212-H1304 AromaticContact ND1-ND1 3.14Å; H1212-H1304 PolarHBondContact ND1-ND1 2.96Å; H1212-H1304 VanDerWaalsContact ND1-ND1 3.14Å; H1212-L1305 PolarHBondContact CE1-O 3.09Å |
| 1213 | V | 92.2 | Very high | 89.8 | Confident | 29 Ų | 29 | 49.7 Ų | 49.7 | 18% | 0.176 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.6 | -40.2 | 176.6 | 168.6 | 0 | 0 | 0 | 0 | 111.6 | L1129 N1209 Y1210 R1211 H1215 K1216 W1217 | L1129-V1213 HydrophobicContact CD1-CG1 4.23Å; N1209-V1213 WeakPolarHBondContact O-CG2 3.36Å; N1209-V1213 PolarHBondContact O-N 2.68Å; Y1210-V1213 CarbonylContact O-C 3.5Å; Y1210-V1213 WeakPolarHBondContact O-CA 3.44Å; Y1210-V1213 WeakPolarHBondContact O-CB 3.48Å; Y1210-V1213 PolarHBondContact O-N 3.43Å; R1211-V1213 VanDerWaalsContact C-N 3.35Å; R1211-V1213 PolarHBondContact O-N 3.07Å; V1213-H1215 VanDerWaalsContact C-N 3.31Å; V1213-H1215 PolarHBondContact O-N 3.36Å; V1213-K1216 WeakPolarHBondContact O-CB 3.46Å; V1213-K1216 PolarHBondContact O-N 2.61Å; V1213-W1217 HydrophobicContact CG1-CD2 3.98Å; V1213-W1217 HydrophobicContact CG1-CE3 4.4Å; V1213-W1217 HydrophobicContact CG1-CH2 3.84Å; V1213-W1217 HydrophobicContact CG1-CZ2 3.33Å; V1213-W1217 HydrophobicContact CG1-CZ3 4.33Å; V1213-W1217 VanDerWaalsContact O-CG 3.31Å; V1213-W1217 PolarHBondContact O-N 3.08Å |
| 1214 | V | 93.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.6 | -36.5 | 174 | -179 | 0 | 0 | 0 | 0 | 111.3 | V1165 M1166 Y1210 R1211 W1217 H1218 F1303 | V1165-V1214 HydrophobicContact CG1-CB 4.43Å; V1165-V1214 HydrophobicContact CG1-CG1 3.77Å; V1165-V1214 HydrophobicContact CG1-CG2 3.82Å; M1166-V1214 HydrophobicContact SD-CG1 4.39Å; Y1210-V1214 HydrophobicContact CD1-CG2 4.05Å; Y1210-V1214 HydrophobicContact CD2-CG2 4.18Å; Y1210-V1214 HydrophobicContact CE1-CG2 3.52Å; Y1210-V1214 HydrophobicContact CE2-CG2 3.69Å; Y1210-V1214 HydrophobicContact CG-CG2 4.35Å; Y1210-V1214 WeakPolarHBondContact O-CG2 3.27Å; Y1210-V1214 PolarHBondContact O-N 2.82Å; R1211-V1214 PolarHBondContact O-N 2.94Å; V1214-W1217 HydrophobicContact CG2-CE3 4.13Å; V1214-W1217 HydrophobicContact CG2-CZ3 4.18Å; V1214-W1217 PolarHBondContact O-N 3.04Å; V1214-H1218 PolarHBondContact O-N 3.09Å; V1214-H1218 PolarHBondContact O-ND1 3.46Å; V1214-F1303 HydrophobicContact CB-CE1 4.33Å; V1214-F1303 HydrophobicContact CG1-CE1 4Å; V1214-F1303 HydrophobicContact CG1-CZ 3.81Å |
| 1215 | H | 94.2 | Very high | 92.1 | Very high | 29 Ų | 29 | 42.6 Ų | 42.6 | 13% | 0.134 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.3 | -45.4 | 171.8 | 179 | -116.1 | 0 | 0 | 0 | 112 | R1211 H1212 V1213 W1217 H1218 Y1219 F1257 F1303 H1304 | R1211-H1215 WeakPolarHBondContact O-CB 3.24Å; R1211-H1215 PolarHBondContact O-N 3.5Å; H1212-H1215 PolarHBondContact O-N 3.13Å; V1213-H1215 VanDerWaalsContact C-N 3.31Å; V1213-H1215 PolarHBondContact O-N 3.36Å; H1215-W1217 VanDerWaalsContact C-N 3.29Å; H1215-W1217 PolarHBondContact O-N 2.83Å; H1215-H1218 PolarHBondContact O-N 2.77Å; H1215-Y1219 PolarHBondContact O-N 3.45Å; H1215-F1257 AromaticContact CD2-CE2 3.74Å; H1215-F1257 AromaticContact CD2-CZ 3.95Å; H1215-F1257 AromaticContact NE2-CE2 3.61Å; H1215-F1257 AromaticContact NE2-CZ 3.33Å; H1215-F1257 VanDerWaalsContact NE2-CZ 3.33Å; H1215-F1257 WeakPolarHBondContact NE2-CZ 3.35Å; H1215-F1303 HydrophobicContact CB-CD1 4.13Å; H1215-F1303 HydrophobicContact CB-CE1 4.18Å; H1215-H1304 VanDerWaalsContact CB-CD2 3.49Å; H1215-H1304 WeakPolarHBondContact CB-CD2 3.15Å; H1215-H1304 AromaticContact CD2-CD2 3.76Å; H1215-H1304 AromaticContact CD2-NE2 3.81Å; H1215-H1304 AromaticContact CE1-NE2 3.39Å; H1215-H1304 PolarHBondContact CE1-NE2 3.25Å; H1215-H1304 AromaticContact CG-CD2 3.35Å; H1215-H1304 AromaticContact CG-NE2 3.36Å; H1215-H1304 AromaticContact ND1-CD2 3.62Å; H1215-H1304 AromaticContact ND1-NE2 3.09Å; H1215-H1304 PolarHBondContact ND1-NE2 3.22Å; H1215-H1304 AromaticContact NE2-NE2 3.87Å |
| 1216 | K | 94.2 | Very high | 92.6 | Very high | 75 Ų | 75 | 42.9 Ų | 42.9 | 33% | 0.326 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -55.1 | -43.8 | 171.6 | 172.9 | -160.2 | 172.8 | -164.4 | 0 | 111.1 | D1133 H1212 V1213 Y1219 R1220 | D1133-K1216 WeakPolarHBondContact OD1-CE 3.36Å; D1133-K1216 IonicContact OD1-NZ 3.58Å; D1133-K1216 PolarHBondContact OD1-NZ 2.95Å; D1133-K1216 IonicContact OD2-NZ 3.78Å; D1133-K1216 PolarHBondContact OD2-NZ 3.37Å; H1212-K1216 PolarHBondContact O-N 2.91Å; V1213-K1216 WeakPolarHBondContact O-CB 3.46Å; V1213-K1216 PolarHBondContact O-N 2.61Å; K1216-Y1219 PolarHBondContact O-N 3.06Å; K1216-R1220 WeakPolarHBondContact O-CG 3.46Å; K1216-R1220 PolarHBondContact O-N 3.12Å |
| 1217 | W | 95.5 | Very high | 93 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65 | -43.3 | 177.4 | -63.5 | -21 | 0 | 0 | 0 | 112.5 | L1129 L1132 D1133 F1136 V1165 Y1210 V1213 V1214 H1215 Y1219 R1220 I1221 | L1129-W1217 HydrophobicContact CD1-CH2 4.14Å; L1129-W1217 HydrophobicContact CD1-CZ2 4.16Å; L1132-W1217 HydrophobicContact CB-CH2 3.46Å; L1132-W1217 VanDerWaalsContact CB-CH2 3.46Å; L1132-W1217 HydrophobicContact CB-CZ2 3.63Å; L1132-W1217 HydrophobicContact CB-CZ3 4.13Å; L1132-W1217 HydrophobicContact CD1-CH2 3.82Å; L1132-W1217 HydrophobicContact CD1-CZ3 4.18Å; L1132-W1217 HydrophobicContact CG-CH2 4.28Å; D1133-W1217 HydrophobicContact CB-CZ2 4.35Å; D1133-W1217 PolarHBondContact OD1-NE1 3.48Å; F1136-W1217 HydrophobicContact CB-CB 3.83Å; F1136-W1217 HydrophobicContact CB-CD2 4.44Å; F1136-W1217 HydrophobicContact CB-CG 3.72Å; F1136-W1217 HydrophobicContact CD1-CB 4.41Å; F1136-W1217 HydrophobicContact CD2-CB 3.97Å; F1136-W1217 AromaticContact CD2-CD2 3.47Å; F1136-W1217 HydrophobicContact CD2-CD2 3.47Å; F1136-W1217 VanDerWaalsContact CD2-CD2 3.47Å; F1136-W1217 AromaticContact CD2-CE2 3.96Å; F1136-W1217 AromaticContact CD2-CE3 3.72Å; F1136-W1217 HydrophobicContact CD2-CE3 3.72Å; F1136-W1217 AromaticContact CD2-CG 3.6Å; F1136-W1217 HydrophobicContact CD2-CG 3.6Å; F1136-W1217 HydrophobicContact CD2-CZ3 4.39Å; F1136-W1217 HydrophobicContact CE2-CD2 4.05Å; F1136-W1217 AromaticContact CE2-CE3 3.78Å; F1136-W1217 HydrophobicContact CE2-CE3 3.78Å; F1136-W1217 HydrophobicContact CE2-CG 4.47Å; F1136-W1217 HydrophobicContact CE2-CZ3 4.24Å; F1136-W1217 HydrophobicContact CG-CB 3.82Å; F1136-W1217 HydrophobicContact CG-CD2 4.2Å; F1136-W1217 AromaticContact CG-CG 3.82Å; F1136-W1217 HydrophobicContact CG-CG 3.82Å; V1165-W1217 HydrophobicContact CG1-CE3 3.87Å; V1165-W1217 HydrophobicContact CG1-CZ3 3.94Å; V1165-W1217 HydrophobicContact CG2-CE3 4.22Å; V1165-W1217 HydrophobicContact CG2-CZ3 3.76Å; Y1210-W1217 HydrophobicContact CE2-CH2 4.25Å; Y1210-W1217 HydrophobicContact CE2-CZ3 4.04Å; V1213-W1217 HydrophobicContact CG1-CD2 3.98Å; V1213-W1217 HydrophobicContact CG1-CE3 4.4Å; V1213-W1217 HydrophobicContact CG1-CH2 3.84Å; V1213-W1217 HydrophobicContact CG1-CZ2 3.33Å; V1213-W1217 HydrophobicContact CG1-CZ3 4.33Å; V1213-W1217 VanDerWaalsContact O-CG 3.31Å; V1213-W1217 PolarHBondContact O-N 3.08Å; V1214-W1217 HydrophobicContact CG2-CE3 4.13Å; V1214-W1217 HydrophobicContact CG2-CZ3 4.18Å; V1214-W1217 PolarHBondContact O-N 3.04Å; H1215-W1217 VanDerWaalsContact C-N 3.29Å; H1215-W1217 PolarHBondContact O-N 2.83Å; W1217-Y1219 VanDerWaalsContact C-N 3.35Å; W1217-Y1219 PolarHBondContact O-N 3.39Å; W1217-R1220 PolarHBondContact O-N 3.28Å; W1217-R1220 VanDerWaalsContact O-N 3.11Å; W1217-I1221 WeakPolarHBondContact O-CG1 3.21Å; W1217-I1221 PolarHBondContact O-N 3.25Å |
| 1218 | H | 94.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.4 | -45.1 | 173.4 | -81 | 71.8 | 0 | 0 | 0 | 112.1 | V1214 H1215 R1220 I1221 T1222 Y1251 I1254 F1257 F1303 | V1214-H1218 PolarHBondContact O-N 3.09Å; V1214-H1218 PolarHBondContact O-ND1 3.46Å; H1215-H1218 PolarHBondContact O-N 2.77Å; H1218-R1220 VanDerWaalsContact C-N 3.33Å; H1218-R1220 PolarHBondContact O-N 3.24Å; H1218-I1221 PolarHBondContact O-N 3.01Å; H1218-T1222 PolarHBondContact O-N 3.03Å; H1218-T1222 PolarHBondContact O-OG1 3.32Å; H1218-Y1251 AromaticContact CD2-CD2 3.64Å; H1218-I1254 HydrophobicContact CB-CD1 3.79Å; H1218-F1257 HydrophobicContact CB-CD2 3.85Å; H1218-F1257 HydrophobicContact CB-CE2 3.81Å; H1218-F1303 AromaticContact CE1-CZ 3.9Å |
| 1219 | Y | 94.5 | Very high | 93.3 | Very high | 108 Ų | 108 | 35.2 Ų | 35.2 | 42% | 0.424 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -60.1 | -39.9 | 173.7 | 172.4 | -97.9 | 0 | 0 | 0 | 112.6 | H1215 K1216 W1217 T1222 K1223 F1257 | H1215-Y1219 PolarHBondContact O-N 3.45Å; K1216-Y1219 PolarHBondContact O-N 3.06Å; W1217-Y1219 VanDerWaalsContact C-N 3.35Å; W1217-Y1219 PolarHBondContact O-N 3.39Å; Y1219-T1222 WeakPolarHBondContact O-CB 3.43Å; Y1219-T1222 PolarHBondContact O-N 3.26Å; Y1219-K1223 HydrophobicContact CE1-CD 4.26Å; Y1219-K1223 WeakPolarHBondContact O-CB 3.44Å; Y1219-K1223 PolarHBondContact O-N 2.8Å; Y1219-F1257 AromaticContact CD2-CE1 4Å; Y1219-F1257 HydrophobicContact CD2-CE1 4Å; Y1219-F1257 HydrophobicContact CD2-CZ 4.15Å; Y1219-F1257 HydrophobicContact CG-CZ 4.43Å |
| 1220 | R | 94.6 | Very high | 93.4 | Very high | 99 Ų | 99 | 37.2 Ų | 37.2 | 37% | 0.374 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -66.4 | -43.4 | 178.1 | -68.9 | -76.3 | 169.4 | 156.7 | 1.3 | 111.9 | F1136 N1137 K1216 W1217 H1218 T1222 K1223 A1224 | F1136-R1220 VanDerWaalsContact O-CB 3.26Å; F1136-R1220 WeakPolarHBondContact O-CB 3.47Å; N1137-R1220 VanDerWaalsContact OD1-CD 3.23Å; N1137-R1220 WeakPolarHBondContact OD1-CD 3.48Å; N1137-R1220 WeakPolarHBondContact OD1-CG 3.32Å; N1137-R1220 PolarHBondContact OD1-NE 3.21Å; K1216-R1220 WeakPolarHBondContact O-CG 3.46Å; K1216-R1220 PolarHBondContact O-N 3.12Å; W1217-R1220 PolarHBondContact O-N 3.28Å; W1217-R1220 VanDerWaalsContact O-N 3.11Å; H1218-R1220 VanDerWaalsContact C-N 3.33Å; H1218-R1220 PolarHBondContact O-N 3.24Å; R1220-T1222 VanDerWaalsContact C-N 3.34Å; R1220-T1222 PolarHBondContact O-N 2.99Å; R1220-K1223 PolarHBondContact O-N 3Å; R1220-A1224 VanDerWaalsContact O-CB 3.29Å; R1220-A1224 WeakPolarHBondContact O-CB 3.47Å; R1220-A1224 PolarHBondContact O-N 3.28Å |
| 1221 | I | 94.9 | Very high | 93.4 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.2 | -48.9 | 171.1 | -64.4 | 160 | 0 | 0 | 0 | 110 | F1136 I1139 L1162 W1217 H1218 K1223 A1224 I1225 I1247 Y1251 | F1136-I1221 HydrophobicContact CD1-CD1 3.83Å; F1136-I1221 HydrophobicContact CD1-CG1 4.06Å; F1136-I1221 HydrophobicContact CE1-CD1 4.02Å; I1139-I1221 HydrophobicContact CD1-CB 4.4Å; I1139-I1221 HydrophobicContact CD1-CG1 3.56Å; L1162-I1221 HydrophobicContact CD1-CD1 4.32Å; L1162-I1221 HydrophobicContact CD2-CD1 3.91Å; W1217-I1221 WeakPolarHBondContact O-CG1 3.21Å; W1217-I1221 PolarHBondContact O-N 3.25Å; H1218-I1221 PolarHBondContact O-N 3.01Å; I1221-K1223 PolarHBondContact O-N 2.81Å; I1221-A1224 PolarHBondContact O-N 3.16Å; I1221-I1225 HydrophobicContact CG2-CD1 3.6Å; I1221-I1225 HydrophobicContact CG2-CG1 4.46Å; I1221-I1225 WeakPolarHBondContact O-CB 3.4Å; I1221-I1225 VanDerWaalsContact O-CG1 3.31Å; I1221-I1225 WeakPolarHBondContact O-CG1 3.39Å; I1221-I1225 PolarHBondContact O-N 3.1Å; I1221-I1247 HydrophobicContact CG2-CD1 3.97Å; I1221-Y1251 HydrophobicContact CB-CD2 4.31Å; I1221-Y1251 HydrophobicContact CB-CE2 3.92Å; I1221-Y1251 HydrophobicContact CD1-CD2 4.18Å; I1221-Y1251 HydrophobicContact CG2-CD1 4.02Å; I1221-Y1251 HydrophobicContact CG2-CD2 3.89Å; I1221-Y1251 HydrophobicContact CG2-CE1 3.75Å; I1221-Y1251 HydrophobicContact CG2-CE2 3.61Å; I1221-Y1251 HydrophobicContact CG2-CG 4.1Å |
| 1222 | T | 94.5 | Very high | 93.2 | Very high | 11 Ų | 11 | 39.3 Ų | 39.3 | 7% | 0.067 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.9 | -49.7 | 177.5 | -48.5 | 0 | 0 | 0 | 0 | 111.8 | H1218 Y1219 R1220 V1226 Y1251 F1257 A1260 V1261 | H1218-T1222 PolarHBondContact O-N 3.03Å; H1218-T1222 PolarHBondContact O-OG1 3.32Å; Y1219-T1222 WeakPolarHBondContact O-CB 3.43Å; Y1219-T1222 PolarHBondContact O-N 3.26Å; R1220-T1222 VanDerWaalsContact C-N 3.34Å; R1220-T1222 PolarHBondContact O-N 2.99Å; T1222-V1226 HydrophobicContact CG2-CG2 4.46Å; T1222-V1226 WeakPolarHBondContact O-CB 3.3Å; T1222-V1226 VanDerWaalsContact O-CG2 3.28Å; T1222-V1226 WeakPolarHBondContact O-CG2 3.07Å; T1222-V1226 PolarHBondContact O-N 3.35Å; T1222-Y1251 VanDerWaalsContact CA-OH 3.28Å; T1222-Y1251 WeakPolarHBondContact CA-OH 3.43Å; T1222-Y1251 WeakPolarHBondContact CB-OH 3.46Å; T1222-Y1251 PolarHBondContact N-OH 3.31Å; T1222-Y1251 PolarHBondContact OG1-OH 3.34Å; T1222-F1257 HydrophobicContact CG2-CB 4.27Å; T1222-F1257 HydrophobicContact CG2-CD1 4.46Å; T1222-F1257 WeakPolarHBondContact OG1-CB 3.45Å; T1222-F1257 WeakPolarHBondContact OG1-CG 3.4Å; T1222-A1260 HydrophobicContact CG2-CB 4.16Å; T1222-V1261 HydrophobicContact CG2-CG2 4.28Å |
| 1223 | K | 94.2 | Very high | 93 | Very high | 121 Ų | 121 | 39.7 Ų | 39.7 | 53% | 0.526 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65 | -43 | -178.2 | -176.1 | 171.7 | -178.4 | 171.4 | 0 | 112.3 | Y1219 R1220 I1221 A1227 | Y1219-K1223 HydrophobicContact CE1-CD 4.26Å; Y1219-K1223 WeakPolarHBondContact O-CB 3.44Å; Y1219-K1223 PolarHBondContact O-N 2.8Å; R1220-K1223 PolarHBondContact O-N 3Å; I1221-K1223 PolarHBondContact O-N 2.81Å; K1223-A1227 WeakPolarHBondContact O-CB 3.2Å; K1223-A1227 PolarHBondContact O-N 3.47Å; K1223-A1227 VanDerWaalsContact O-N 3.13Å |
| 1224 | A | 93.7 | Very high | 92.8 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 4% | 0.041 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.2 | -46.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I1139 T1140 R1220 I1221 A1227 C1228 | I1139-A1224 HydrophobicContact CB-CB 3.98Å; I1139-A1224 HydrophobicContact CG2-CB 4.08Å; T1140-A1224 VanDerWaalsContact OG1-CA 3.29Å; T1140-A1224 WeakPolarHBondContact OG1-CA 3.36Å; T1140-A1224 VanDerWaalsContact OG1-CB 3.23Å; T1140-A1224 WeakPolarHBondContact OG1-CB 3.49Å; R1220-A1224 VanDerWaalsContact O-CB 3.29Å; R1220-A1224 WeakPolarHBondContact O-CB 3.47Å; R1220-A1224 PolarHBondContact O-N 3.28Å; I1221-A1224 PolarHBondContact O-N 3.16Å; A1224-A1227 PolarHBondContact O-N 3.24Å; A1224-C1228 PolarHBondContact O-N 2.81Å; A1224-C1228 VanDerWaalsContact O-N 3.14Å; A1224-C1228 PolarHBondContact O-SG 3Å; A1224-C1228 VanDerWaalsContact O-SG 3.4Å |
| 1225 | I | 93 | Very high | 92.6 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -71.3 | -42.3 | -177.3 | -68 | 175.3 | 0 | 0 | 0 | 111.4 | I1221 A1227 C1228 L1229 L1244 I1247 | I1221-I1225 HydrophobicContact CG2-CD1 3.6Å; I1221-I1225 HydrophobicContact CG2-CG1 4.46Å; I1221-I1225 WeakPolarHBondContact O-CB 3.4Å; I1221-I1225 VanDerWaalsContact O-CG1 3.31Å; I1221-I1225 WeakPolarHBondContact O-CG1 3.39Å; I1221-I1225 PolarHBondContact O-N 3.1Å; I1225-A1227 VanDerWaalsContact C-N 3.3Å; I1225-A1227 PolarHBondContact O-N 3.28Å; I1225-C1228 PolarHBondContact O-N 2.96Å; I1225-L1229 HydrophobicContact CG2-CD1 3.85Å; I1225-L1229 HydrophobicContact CG2-CG 4.22Å; I1225-L1229 WeakPolarHBondContact O-CB 3.31Å; I1225-L1229 VanDerWaalsContact O-CG 3.28Å; I1225-L1229 WeakPolarHBondContact O-CG 3.41Å; I1225-L1229 PolarHBondContact O-N 3.46Å; I1225-L1244 HydrophobicContact CD1-CD2 3.66Å; I1225-L1244 HydrophobicContact CD1-CG 4.01Å; I1225-L1244 HydrophobicContact CG2-CD1 3.61Å; I1225-L1244 HydrophobicContact CG2-CD2 3.91Å; I1225-L1244 HydrophobicContact CG2-CG 3.7Å; I1225-I1247 HydrophobicContact CD1-CD1 3.94Å |
| 1226 | V | 92.9 | Very high | 92.5 | Very high | 29 Ų | 29 | 42.3 Ų | 42.3 | 18% | 0.176 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59 | -43.5 | 175.2 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | T1222 C1228 L1229 E1230 | T1222-V1226 HydrophobicContact CG2-CG2 4.46Å; T1222-V1226 WeakPolarHBondContact O-CB 3.3Å; T1222-V1226 VanDerWaalsContact O-CG2 3.28Å; T1222-V1226 WeakPolarHBondContact O-CG2 3.07Å; T1222-V1226 PolarHBondContact O-N 3.35Å; V1226-C1228 PolarHBondContact O-N 3.14Å; V1226-L1229 CarbonylContact O-C 3.57Å; V1226-L1229 PolarHBondContact O-N 3.21Å; V1226-E1230 HydrophobicContact CG1-CG 4.32Å; V1226-E1230 WeakPolarHBondContact O-CB 3.46Å; V1226-E1230 WeakPolarHBondContact O-CG 3.45Å; V1226-E1230 PolarHBondContact O-N 3.01Å |
| 1227 | A | 92.4 | Very high | 92.4 | Very high | 50 Ų | 50 | 38.8 Ų | 38.8 | 41% | 0.413 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.1 | -44.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | K1223 A1224 I1225 L1229 E1230 S1231 | K1223-A1227 WeakPolarHBondContact O-CB 3.2Å; K1223-A1227 PolarHBondContact O-N 3.47Å; K1223-A1227 VanDerWaalsContact O-N 3.13Å; A1224-A1227 PolarHBondContact O-N 3.24Å; I1225-A1227 VanDerWaalsContact C-N 3.3Å; I1225-A1227 PolarHBondContact O-N 3.28Å; A1227-L1229 PolarHBondContact O-N 2.76Å; A1227-E1230 PolarHBondContact O-N 3.08Å; A1227-S1231 PolarHBondContact O-N 3.35Å; A1227-S1231 VanDerWaalsContact O-N 3.07Å |
| 1228 | C | 92.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.007 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.1 | -38.6 | 175.4 | -65.7 | 0 | 0 | 0 | 0 | 112.4 | A1224 I1225 V1226 E1230 S1231 Q1236 I1237 A1240 | A1224-C1228 PolarHBondContact O-N 2.81Å; A1224-C1228 VanDerWaalsContact O-N 3.14Å; A1224-C1228 PolarHBondContact O-SG 3Å; A1224-C1228 VanDerWaalsContact O-SG 3.4Å; I1225-C1228 PolarHBondContact O-N 2.96Å; V1226-C1228 PolarHBondContact O-N 3.14Å; C1228-E1230 VanDerWaalsContact C-N 3.28Å; C1228-E1230 PolarHBondContact O-N 3.31Å; C1228-S1231 WeakPolarHBondContact O-CB 3.42Å; C1228-S1231 PolarHBondContact O-N 2.9Å; C1228-S1231 PolarHBondContact O-OG 3.33Å; C1228-Q1236 HydrophobicContact CB-CB 4.44Å; C1228-I1237 WeakPolarHBondContact O-CG1 3.31Å; C1228-A1240 HydrophobicContact CB-CB 3.68Å |
| 1229 | L | 92.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -73.7 | -13.2 | 176 | -63.9 | 175.8 | 0 | 0 | 0 | 113.9 | I1225 V1226 A1227 I1237 A1240 L1241 L1244 R1264 V1265 L1268 | I1225-L1229 HydrophobicContact CG2-CD1 3.85Å; I1225-L1229 HydrophobicContact CG2-CG 4.22Å; I1225-L1229 WeakPolarHBondContact O-CB 3.31Å; I1225-L1229 VanDerWaalsContact O-CG 3.28Å; I1225-L1229 WeakPolarHBondContact O-CG 3.41Å; I1225-L1229 PolarHBondContact O-N 3.46Å; V1226-L1229 CarbonylContact O-C 3.57Å; V1226-L1229 PolarHBondContact O-N 3.21Å; A1227-L1229 PolarHBondContact O-N 2.76Å; L1229-I1237 HydrophobicContact CD2-CG2 4.28Å; L1229-A1240 HydrophobicContact CD2-CB 3.85Å; L1229-A1240 HydrophobicContact CG-CB 4.15Å; L1229-L1241 HydrophobicContact CD2-CD2 3.97Å; L1229-L1241 HydrophobicContact CD2-CG 3.88Å; L1229-L1244 HydrophobicContact CD1-CD1 4.07Å; L1229-R1264 HydrophobicContact CB-CG 3.9Å; L1229-R1264 HydrophobicContact CD1-CG 4.17Å; L1229-R1264 PolarHBondContact O-NE 2.82Å; L1229-R1264 VanDerWaalsContact O-NE 3.11Å; L1229-R1264 PolarHBondContact O-NH2 2.99Å; L1229-V1265 HydrophobicContact CD1-CG2 4.01Å; L1229-L1268 HydrophobicContact CD2-CD2 3.85Å |
| 1230 | E | 92.4 | Very high | 92.3 | Very high | 117 Ų | 117 | 36.1 Ų | 36.1 | 55% | 0.547 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -102 | -10.1 | 175.9 | -73 | -177 | 154.6 | 0 | 0 | 113.2 | V1226 A1227 C1228 G1232 R1264 | V1226-E1230 HydrophobicContact CG1-CG 4.32Å; V1226-E1230 WeakPolarHBondContact O-CB 3.46Å; V1226-E1230 WeakPolarHBondContact O-CG 3.45Å; V1226-E1230 PolarHBondContact O-N 3.01Å; A1227-E1230 PolarHBondContact O-N 3.08Å; C1228-E1230 VanDerWaalsContact C-N 3.28Å; C1228-E1230 PolarHBondContact O-N 3.31Å; E1230-G1232 PolarHBondContact O-N 3.07Å; E1230-G1232 VanDerWaalsContact O-N 3.1Å; E1230-R1264 VanDerWaalsContact CG-CD 3.5Å; E1230-R1264 HydrophobicContact CG-CG 4.44Å; E1230-R1264 WeakPolarHBondContact OE1-CD 3.21Å; E1230-R1264 IonicContact OE1-NE 2.72Å |
| 1231 | S | 91 | Very high | 92.3 | Very high | 47 Ų | 47 | 31.5 Ų | 31.5 | 33% | 0.329 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -58.7 | -22 | -176.5 | 66.9 | 0 | 0 | 0 | 0 | 116.4 | A1227 C1228 N1233 Q1236 | A1227-S1231 PolarHBondContact O-N 3.35Å; A1227-S1231 VanDerWaalsContact O-N 3.07Å; C1228-S1231 WeakPolarHBondContact O-CB 3.42Å; C1228-S1231 PolarHBondContact O-N 2.9Å; C1228-S1231 PolarHBondContact O-OG 3.33Å; S1231-N1233 PolarHBondContact O-N 2.91Å; S1231-N1233 PolarHBondContact OG-N 3.4Å; S1231-Q1236 PolarHBondContact OG-OE1 3.26Å |
| 1232 | G | 87.6 | Confident | 92.2 | Very high | 36 Ų | 36 | 32.7 Ų | 32.7 | 37% | 0.371 | 18% | 0.181 | S | C | . | . | trans | 67.7 | -9.6 | -169 | 0 | 0 | 0 | 0 | 0 | 115.1 | E1230 R1276 | E1230-G1232 PolarHBondContact O-N 3.07Å; E1230-G1232 VanDerWaalsContact O-N 3.1Å; G1232-R1276 PolarHBondContact O-NH1 3.45Å; G1232-R1276 PolarHBondContact O-NH2 2.87Å; G1232-R1276 VanDerWaalsContact O-NH2 3.14Å | ||
| 1233 | N | 88.4 | Confident | 92.3 | Very high | 71 Ų | 71 | 32.2 Ų | 32.2 | 38% | 0.38 | 18% | 0.178 | S | C | . | . | trans | -79.9 | 126.6 | 179.4 | -177.6 | -16.4 | 0 | 0 | 0 | 110.1 | S1231 V1235 Q1236 I1237 | S1231-N1233 PolarHBondContact O-N 2.91Å; S1231-N1233 PolarHBondContact OG-N 3.4Å; N1233-V1235 VanDerWaalsContact C-N 3.32Å; N1233-V1235 PolarHBondContact O-N 2.74Å; N1233-V1235 PolarHBondContact OD1-N 3.25Å; N1233-V1235 VanDerWaalsContact OD1-N 3.07Å; N1233-Q1236 HydrophobicContact CB-CB 4.24Å; N1233-Q1236 HydrophobicContact CB-CG 4.13Å; N1233-Q1236 PolarHBondContact O-N 3.34Å; N1233-I1237 WeakPolarHBondContact O-CD1 3.33Å; N1233-I1237 VanDerWaalsContact O-CG1 3.27Å; N1233-I1237 WeakPolarHBondContact O-CG1 3.46Å; N1233-I1237 PolarHBondContact O-N 2.88Å | ||
| 1234 | Y | 87.7 | Confident | 92.3 | Very high | 22 Ų | 22 | 26.5 Ų | 26.5 | 9% | 0.086 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -50.4 | -49.2 | 179.4 | 177.6 | -92.8 | 0 | 0 | 0 | 113.1 | K873 R1238 D1278 L1279 | K873-Y1234 HydrophobicContact CD-CD1 4.33Å; K873-Y1234 HydrophobicContact CD-CE1 3.77Å; K873-Y1234 HydrophobicContact CG-CD1 4Å; K873-Y1234 HydrophobicContact CG-CE1 3.69Å; K873-Y1234 PolarHBondContact NZ-OH 2.93Å; Y1234-R1238 VanDerWaalsContact CZ-CD 3.44Å; Y1234-R1238 VanDerWaalsContact O-CB 3.24Å; Y1234-R1238 WeakPolarHBondContact O-CB 3.3Å; Y1234-R1238 PolarHBondContact O-N 3.22Å; Y1234-R1238 VanDerWaalsContact OH-CD 3.28Å; Y1234-R1238 WeakPolarHBondContact OH-CD 3.47Å; Y1234-R1238 PolarHBondContact OH-NH1 3.02Å; Y1234-R1238 VanDerWaalsContact OH-NH1 3.09Å; Y1234-D1278 WeakPolarHBondContact CE2-OD2 3.29Å; Y1234-D1278 VanDerWaalsContact CZ-OD2 3.31Å; Y1234-D1278 PolarHBondContact OH-OD2 2.87Å; Y1234-L1279 HydrophobicContact CD2-CD1 3.87Å; Y1234-L1279 HydrophobicContact CD2-CD2 4Å; Y1234-L1279 HydrophobicContact CD2-CG 4.04Å; Y1234-L1279 HydrophobicContact CE2-CD1 4.26Å; Y1234-L1279 HydrophobicContact CE2-CD2 3.65Å; Y1234-L1279 HydrophobicContact CE2-CG 3.89Å |
| 1235 | V | 88.2 | Confident | 92.2 | Very high | 40 Ų | 40 | 28.4 Ų | 28.4 | 24% | 0.242 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.8 | -47.6 | -173.3 | -179.2 | 0 | 0 | 0 | 0 | 110.2 | N1233 I1237 R1238 N1239 | N1233-V1235 VanDerWaalsContact C-N 3.32Å; N1233-V1235 PolarHBondContact O-N 2.74Å; N1233-V1235 PolarHBondContact OD1-N 3.25Å; N1233-V1235 VanDerWaalsContact OD1-N 3.07Å; V1235-I1237 PolarHBondContact O-N 3.36Å; V1235-R1238 PolarHBondContact O-N 2.92Å; V1235-N1239 VanDerWaalsContact O-CB 3.3Å; V1235-N1239 WeakPolarHBondContact O-CB 3.28Å; V1235-N1239 PolarHBondContact O-N 2.93Å; V1235-N1239 PolarHBondContact O-OD1 3.03Å |
| 1236 | Q | 92.3 | Very high | 92.2 | Very high | 50 Ų | 50 | 31.6 Ų | 31.6 | 23% | 0.234 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.2 | -40.5 | -178.9 | -61.6 | -176.1 | 1.8 | 0 | 0 | 112.3 | C1228 S1231 N1233 A1240 | C1228-Q1236 HydrophobicContact CB-CB 4.44Å; S1231-Q1236 PolarHBondContact OG-OE1 3.26Å; N1233-Q1236 HydrophobicContact CB-CB 4.24Å; N1233-Q1236 HydrophobicContact CB-CG 4.13Å; N1233-Q1236 PolarHBondContact O-N 3.34Å; Q1236-A1240 WeakPolarHBondContact O-CB 3.08Å; Q1236-A1240 PolarHBondContact O-N 2.99Å |
| 1237 | I | 93.1 | Very high | 92.3 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.7 | -46.1 | 175.3 | -65.3 | 165.5 | 0 | 0 | 0 | 110.5 | C1228 L1229 N1233 V1235 A1240 L1241 L1268 L1279 | C1228-I1237 WeakPolarHBondContact O-CG1 3.31Å; L1229-I1237 HydrophobicContact CD2-CG2 4.28Å; N1233-I1237 WeakPolarHBondContact O-CD1 3.33Å; N1233-I1237 VanDerWaalsContact O-CG1 3.27Å; N1233-I1237 WeakPolarHBondContact O-CG1 3.46Å; N1233-I1237 PolarHBondContact O-N 2.88Å; V1235-I1237 PolarHBondContact O-N 3.36Å; I1237-A1240 PolarHBondContact O-N 2.92Å; I1237-L1241 HydrophobicContact CG2-CD1 4.19Å; I1237-L1241 WeakPolarHBondContact O-CG 3.1Å; I1237-L1241 PolarHBondContact O-N 3.44Å; I1237-L1241 VanDerWaalsContact O-N 3.11Å; I1237-L1268 HydrophobicContact CD1-CD1 4.31Å; I1237-L1268 HydrophobicContact CG2-CD1 4.05Å; I1237-L1268 HydrophobicContact CG2-CD2 3.6Å; I1237-L1268 HydrophobicContact CG2-CG 4.41Å; I1237-L1279 HydrophobicContact CB-CD1 4.19Å; I1237-L1279 HydrophobicContact CD1-CD1 4.42Å; I1237-L1279 HydrophobicContact CG2-CD1 3.9Å |
| 1238 | R | 92.4 | Very high | 92.3 | Very high | 53 Ų | 53 | 28.3 Ų | 28.3 | 20% | 0.2 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.6 | -49.1 | -178 | -171.5 | 154.7 | 170.2 | 127.4 | -6 | 111.9 | E1148 Y1234 V1235 A1240 L1241 I1242 D1278 L1279 L1282 | E1148-R1238 WeakPolarHBondContact OE1-CD 3.26Å; E1148-R1238 IonicContact OE1-CZ 2.62Å; E1148-R1238 IonicContact OE1-NE 3.19Å; E1148-R1238 PolarHBondContact OE1-NE 2.83Å; E1148-R1238 IonicContact OE1-NH2 2.77Å; E1148-R1238 IonicContact OE2-CZ 3.52Å; E1148-R1238 IonicContact OE2-NE 2.91Å; E1148-R1238 PolarHBondContact OE2-NE 2.65Å; E1148-R1238 IonicContact OE2-NH2 2.69Å; E1148-R1238 PolarHBondContact OE2-NH2 3.21Å; Y1234-R1238 VanDerWaalsContact CZ-CD 3.44Å; Y1234-R1238 VanDerWaalsContact O-CB 3.24Å; Y1234-R1238 WeakPolarHBondContact O-CB 3.3Å; Y1234-R1238 PolarHBondContact O-N 3.22Å; Y1234-R1238 VanDerWaalsContact OH-CD 3.28Å; Y1234-R1238 WeakPolarHBondContact OH-CD 3.47Å; Y1234-R1238 PolarHBondContact OH-NH1 3.02Å; Y1234-R1238 VanDerWaalsContact OH-NH1 3.09Å; V1235-R1238 PolarHBondContact O-N 2.92Å; R1238-A1240 VanDerWaalsContact C-N 3.33Å; R1238-A1240 PolarHBondContact O-N 3.03Å; R1238-L1241 PolarHBondContact O-N 3.03Å; R1238-I1242 HydrophobicContact CG-CD1 4.06Å; R1238-I1242 WeakPolarHBondContact O-CG1 3.23Å; R1238-I1242 PolarHBondContact O-N 3.06Å; R1238-D1278 IonicContact NH1-OD2 2.7Å; R1238-D1278 PolarHBondContact NH1-OD2 2.7Å; R1238-L1279 HydrophobicContact CB-CD2 3.77Å; R1238-L1279 HydrophobicContact CG-CD2 4.19Å; R1238-L1282 HydrophobicContact CG-CD1 3.89Å |
| 1239 | N | 94.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.4 | -41.3 | 176.6 | -69.9 | 3.8 | 0 | 0 | 0 | 111.8 | T1143 C1146 A1151 V1235 L1241 I1242 V1243 | T1143-N1239 HydrophobicContact CG2-CB 4.09Å; T1143-N1239 WeakPolarHBondContact O-CB 3.44Å; T1143-N1239 PolarHBondContact O-ND2 2.94Å; C1146-N1239 PolarHBondContact O-ND2 3.02Å; A1151-N1239 HydrophobicContact CB-CB 3.73Å; V1235-N1239 VanDerWaalsContact O-CB 3.3Å; V1235-N1239 WeakPolarHBondContact O-CB 3.28Å; V1235-N1239 PolarHBondContact O-N 2.93Å; V1235-N1239 PolarHBondContact O-OD1 3.03Å; N1239-L1241 PolarHBondContact O-N 3.06Å; N1239-I1242 PolarHBondContact O-N 3.35Å; N1239-V1243 WeakPolarHBondContact O-CG2 3.16Å; N1239-V1243 PolarHBondContact O-N 3.24Å |
| 1240 | A | 95 | Very high | 92.1 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.1 | -38.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T1143 C1228 L1229 Q1236 I1237 R1238 L1244 | T1143-A1240 HydrophobicContact CG2-CB 4.31Å; C1228-A1240 HydrophobicContact CB-CB 3.68Å; L1229-A1240 HydrophobicContact CD2-CB 3.85Å; L1229-A1240 HydrophobicContact CG-CB 4.15Å; Q1236-A1240 WeakPolarHBondContact O-CB 3.08Å; Q1236-A1240 PolarHBondContact O-N 2.99Å; I1237-A1240 PolarHBondContact O-N 2.92Å; R1238-A1240 VanDerWaalsContact C-N 3.33Å; R1238-A1240 PolarHBondContact O-N 3.03Å; A1240-L1244 WeakPolarHBondContact O-CB 3.44Å; A1240-L1244 VanDerWaalsContact O-CG 3.25Å; A1240-L1244 WeakPolarHBondContact O-CG 3.39Å; A1240-L1244 PolarHBondContact O-N 3.35Å |
| 1241 | L | 94.5 | Very high | 92.1 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.3 | -36 | 174 | -69.5 | 170.3 | 0 | 0 | 0 | 112.4 | L1229 I1237 R1238 N1239 L1244 T1245 V1265 L1268 L1282 A1283 | L1229-L1241 HydrophobicContact CD2-CD2 3.97Å; L1229-L1241 HydrophobicContact CD2-CG 3.88Å; I1237-L1241 HydrophobicContact CG2-CD1 4.19Å; I1237-L1241 WeakPolarHBondContact O-CG 3.1Å; I1237-L1241 PolarHBondContact O-N 3.44Å; I1237-L1241 VanDerWaalsContact O-N 3.11Å; R1238-L1241 PolarHBondContact O-N 3.03Å; N1239-L1241 PolarHBondContact O-N 3.06Å; L1241-L1244 HydrophobicContact CD2-CD1 4.42Å; L1241-T1245 WeakPolarHBondContact O-CB 3.3Å; L1241-T1245 PolarHBondContact O-N 3.38Å; L1241-T1245 PolarHBondContact O-OG1 3.17Å; L1241-V1265 HydrophobicContact CD2-CG2 4.45Å; L1241-L1268 HydrophobicContact CD1-CD2 4.18Å; L1241-L1282 HydrophobicContact CB-CB 4.39Å; L1241-L1282 HydrophobicContact CD1-CB 3.81Å; L1241-A1283 HydrophobicContact CD1-CB 4.22Å; L1241-A1283 HydrophobicContact CD2-CB 4.38Å |
| 1242 | I | 93.7 | Very high | 92.2 | Very high | 28 Ų | 28 | 25 Ų | 25 | 14% | 0.144 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65 | -51.9 | 174.5 | -70.3 | 166.1 | 0 | 0 | 0 | 110.6 | E1148 A1151 H1152 R1238 N1239 L1244 T1245 R1246 | E1148-I1242 HydrophobicContact CB-CD1 4.06Å; E1148-I1242 HydrophobicContact CG-CD1 4.49Å; A1151-I1242 HydrophobicContact CB-CG2 4.37Å; H1152-I1242 HydrophobicContact CB-CG2 3.66Å; R1238-I1242 HydrophobicContact CG-CD1 4.06Å; R1238-I1242 WeakPolarHBondContact O-CG1 3.23Å; R1238-I1242 PolarHBondContact O-N 3.06Å; N1239-I1242 PolarHBondContact O-N 3.35Å; I1242-L1244 PolarHBondContact O-N 3.07Å; I1242-T1245 PolarHBondContact O-N 3.41Å; I1242-R1246 PolarHBondContact O-N 2.88Å; I1242-R1246 VanDerWaalsContact O-N 3.16Å |
| 1243 | V | 94.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.6 | -48.5 | 176.9 | 170.3 | 0 | 0 | 0 | 0 | 110.6 | T1143 A1151 Y1154 L1158 N1239 T1245 R1246 I1247 | T1143-V1243 HydrophobicContact CG2-CG2 4.17Å; A1151-V1243 HydrophobicContact CB-CG2 4.35Å; A1151-V1243 VanDerWaalsContact O-CG2 3.32Å; A1151-V1243 WeakPolarHBondContact O-CG2 3.46Å; Y1154-V1243 HydrophobicContact CD1-CG2 4.24Å; L1158-V1243 HydrophobicContact CD1-CG1 4.01Å; N1239-V1243 WeakPolarHBondContact O-CG2 3.16Å; N1239-V1243 PolarHBondContact O-N 3.24Å; V1243-T1245 VanDerWaalsContact C-N 3.27Å; V1243-T1245 PolarHBondContact O-N 2.95Å; V1243-R1246 PolarHBondContact O-N 3.14Å; V1243-R1246 VanDerWaalsContact O-N 3.08Å; V1243-I1247 HydrophobicContact CG1-CD1 4.48Å; V1243-I1247 HydrophobicContact CG1-CG2 4.27Å; V1243-I1247 WeakPolarHBondContact O-CG1 3.5Å; V1243-I1247 PolarHBondContact O-N 3.26Å |
| 1244 | L | 94.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -52.2 | -44.3 | 175.1 | -89 | 176.5 | 0 | 0 | 0 | 112.6 | I1225 L1229 A1240 L1241 I1242 R1246 L1248 Y1251 V1261 V1265 Y1286 | I1225-L1244 HydrophobicContact CD1-CD2 3.66Å; I1225-L1244 HydrophobicContact CD1-CG 4.01Å; I1225-L1244 HydrophobicContact CG2-CD1 3.61Å; I1225-L1244 HydrophobicContact CG2-CD2 3.91Å; I1225-L1244 HydrophobicContact CG2-CG 3.7Å; L1229-L1244 HydrophobicContact CD1-CD1 4.07Å; A1240-L1244 WeakPolarHBondContact O-CB 3.44Å; A1240-L1244 VanDerWaalsContact O-CG 3.25Å; A1240-L1244 WeakPolarHBondContact O-CG 3.39Å; A1240-L1244 PolarHBondContact O-N 3.35Å; L1241-L1244 HydrophobicContact CD2-CD1 4.42Å; I1242-L1244 PolarHBondContact O-N 3.07Å; L1244-R1246 VanDerWaalsContact C-N 3.31Å; L1244-R1246 PolarHBondContact O-N 3.35Å; L1244-L1248 WeakPolarHBondContact O-CB 3.49Å; L1244-L1248 PolarHBondContact O-N 3.41Å; L1244-Y1251 HydrophobicContact CD2-CE1 4.2Å; L1244-V1261 HydrophobicContact CD1-CG1 4.07Å; L1244-V1261 HydrophobicContact CD2-CG1 4.1Å; L1244-V1265 HydrophobicContact CD1-CG2 4.45Å; L1244-Y1286 HydrophobicContact CB-CD2 4.07Å; L1244-Y1286 HydrophobicContact CB-CE1 4.28Å; L1244-Y1286 HydrophobicContact CB-CE2 3.72Å; L1244-Y1286 HydrophobicContact CD1-CD1 4.16Å; L1244-Y1286 HydrophobicContact CD1-CE1 3.78Å; L1244-Y1286 HydrophobicContact CD2-CE1 4.31Å; L1244-Y1286 HydrophobicContact CD2-CE2 4.46Å; L1244-Y1286 HydrophobicContact CG-CE1 4.37Å; L1244-Y1286 WeakPolarHBondContact O-CE2 3.36Å |
| 1245 | T | 93.5 | Very high | 92.6 | Very high | 45 Ų | 45 | 24 Ų | 24 | 28% | 0.276 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -67 | -32.6 | -179 | -58.7 | 0 | 0 | 0 | 0 | 112 | L1241 I1242 V1243 L1248 L1289 | L1241-T1245 WeakPolarHBondContact O-CB 3.3Å; L1241-T1245 PolarHBondContact O-N 3.38Å; L1241-T1245 PolarHBondContact O-OG1 3.17Å; I1242-T1245 PolarHBondContact O-N 3.41Å; V1243-T1245 VanDerWaalsContact C-N 3.27Å; V1243-T1245 PolarHBondContact O-N 2.95Å; T1245-L1248 WeakPolarHBondContact O-CB 3.35Å; T1245-L1289 HydrophobicContact CG2-CD1 3.98Å |
| 1246 | R | 92.8 | Very high | 92.8 | Very high | 69 Ų | 69 | 26.8 Ų | 26.8 | 26% | 0.26 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -83.5 | -35.8 | 178.6 | -64 | -60.2 | -177.7 | -143.8 | -7.4 | 113.7 | E803 H1152 C1159 I1242 V1243 L1244 L1248 P1249 | E803-R1246 IonicContact OE1-CZ 2.76Å; E803-R1246 IonicContact OE1-NH2 2.81Å; E803-R1246 PolarHBondContact OE1-NH2 2.82Å; H1152-R1246 PolarHBondContact CD2-NE 3.02Å; H1152-R1246 PolarHBondContact CD2-NH2 3.05Å; C1159-R1246 PolarHBondContact SG-O 3.5Å; I1242-R1246 PolarHBondContact O-N 2.88Å; I1242-R1246 VanDerWaalsContact O-N 3.16Å; V1243-R1246 PolarHBondContact O-N 3.14Å; V1243-R1246 VanDerWaalsContact O-N 3.08Å; L1244-R1246 VanDerWaalsContact C-N 3.31Å; L1244-R1246 PolarHBondContact O-N 3.35Å; R1246-L1248 PolarHBondContact O-N 2.89Å; R1246-P1249 WeakPolarHBondContact O-CD 3.37Å |
| 1247 | I | 94.7 | Very high | 92.8 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -78.2 | -6.3 | 175.4 | 70.6 | 178.2 | 0 | 0 | 0 | 114.1 | L1158 L1162 I1221 I1225 V1243 P1249 Q1250 Y1251 | L1158-I1247 HydrophobicContact CB-CG2 3.67Å; L1162-I1247 HydrophobicContact CD1-CB 4.09Å; L1162-I1247 HydrophobicContact CD1-CG2 4.31Å; I1221-I1247 HydrophobicContact CG2-CD1 3.97Å; I1225-I1247 HydrophobicContact CD1-CD1 3.94Å; V1243-I1247 HydrophobicContact CG1-CD1 4.48Å; V1243-I1247 HydrophobicContact CG1-CG2 4.27Å; V1243-I1247 WeakPolarHBondContact O-CG1 3.5Å; V1243-I1247 PolarHBondContact O-N 3.26Å; I1247-P1249 VanDerWaalsContact C-N 3.26Å; I1247-P1249 WeakPolarHBondContact O-CD 3.35Å; I1247-Q1250 PolarHBondContact O-N 3.36Å; I1247-Y1251 HydrophobicContact CD1-CD1 3.6Å; I1247-Y1251 HydrophobicContact CD1-CE1 4.3Å; I1247-Y1251 HydrophobicContact CD1-CG 4.1Å; I1247-Y1251 HydrophobicContact CG1-CD1 4.1Å; I1247-Y1251 PolarHBondContact O-N 3.47Å |
| 1248 | L | 92.3 | Very high | 92.8 | Very high | 10 Ų | 10 | 25.1 Ų | 25.1 | 5% | 0.052 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -23.6 | -176.9 | -167.8 | 56.5 | 0 | 0 | 0 | 116.5 | L1244 T1245 R1246 Y1251 Y1286 L1289 R1293 | L1244-L1248 WeakPolarHBondContact O-CB 3.49Å; L1244-L1248 PolarHBondContact O-N 3.41Å; T1245-L1248 WeakPolarHBondContact O-CB 3.35Å; R1246-L1248 PolarHBondContact O-N 2.89Å; L1248-Y1251 VanDerWaalsContact CA-O 3.26Å; L1248-Y1251 WeakPolarHBondContact CA-O 3.49Å; L1248-Y1286 HydrophobicContact CD1-CE2 3.91Å; L1248-Y1286 HydrophobicContact CD2-CD2 4.47Å; L1248-Y1286 HydrophobicContact CD2-CE2 4.13Å; L1248-Y1286 HydrophobicContact CG-CE2 4.41Å; L1248-L1289 HydrophobicContact CD2-CB 3.57Å; L1248-R1293 WeakPolarHBondContact O-CD 3.27Å; L1248-R1293 PolarHBondContact O-NH1 2.86Å |
| 1249 | P | 90.2 | Very high | 92.8 | Very high | 54 Ų | 54 | 24.1 Ų | 24.1 | 35% | 0.351 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -37.5 | 173.7 | -25.2 | 36.2 | 0 | 0 | 0 | 113.5 | R1246 I1247 R1293 | R1246-P1249 WeakPolarHBondContact O-CD 3.37Å; I1247-P1249 VanDerWaalsContact C-N 3.26Å; I1247-P1249 WeakPolarHBondContact O-CD 3.35Å; P1249-R1293 VanDerWaalsContact CA-NH1 3.29Å |
| 1250 | Q | 90.8 | Very high | 92.7 | Very high | 30 Ų | 30 | 25.4 Ų | 25.4 | 14% | 0.14 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | -18 | -173.4 | -56.7 | -61 | 2.7 | 0 | 0 | 114.1 | L1162 E1163 M1166 I1247 K1253 | L1162-Q1250 HydrophobicContact CB-CB 3.77Å; L1162-Q1250 HydrophobicContact CB-CG 4.3Å; E1163-Q1250 HydrophobicContact CB-CG 4.13Å; M1166-Q1250 HydrophobicContact CG-CB 4.4Å; I1247-Q1250 PolarHBondContact O-N 3.36Å; Q1250-K1253 WeakPolarHBondContact O-CE 3.43Å; Q1250-K1253 WeakPolarHBondContact O-CG 3.48Å; Q1250-K1253 VanDerWaalsContact OE1-NZ 3.11Å |
| 1251 | Y | 93.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 0% | 0.004 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -136.5 | 142 | 178.7 | 172.5 | -83.2 | 0 | 0 | 0 | 111.1 | H1218 I1221 T1222 L1244 I1247 L1248 V1261 | H1218-Y1251 AromaticContact CD2-CD2 3.64Å; I1221-Y1251 HydrophobicContact CB-CD2 4.31Å; I1221-Y1251 HydrophobicContact CB-CE2 3.92Å; I1221-Y1251 HydrophobicContact CD1-CD2 4.18Å; I1221-Y1251 HydrophobicContact CG2-CD1 4.02Å; I1221-Y1251 HydrophobicContact CG2-CD2 3.89Å; I1221-Y1251 HydrophobicContact CG2-CE1 3.75Å; I1221-Y1251 HydrophobicContact CG2-CE2 3.61Å; I1221-Y1251 HydrophobicContact CG2-CG 4.1Å; T1222-Y1251 VanDerWaalsContact CA-OH 3.28Å; T1222-Y1251 WeakPolarHBondContact CA-OH 3.43Å; T1222-Y1251 WeakPolarHBondContact CB-OH 3.46Å; T1222-Y1251 PolarHBondContact N-OH 3.31Å; T1222-Y1251 PolarHBondContact OG1-OH 3.34Å; L1244-Y1251 HydrophobicContact CD2-CE1 4.2Å; I1247-Y1251 HydrophobicContact CD1-CD1 3.6Å; I1247-Y1251 HydrophobicContact CD1-CE1 4.3Å; I1247-Y1251 HydrophobicContact CD1-CG 4.1Å; I1247-Y1251 HydrophobicContact CG1-CD1 4.1Å; I1247-Y1251 PolarHBondContact O-N 3.47Å; L1248-Y1251 VanDerWaalsContact CA-O 3.26Å; L1248-Y1251 WeakPolarHBondContact CA-O 3.49Å; Y1251-V1261 HydrophobicContact CE1-CG2 4.47Å |
| 1252 | P | 91.8 | Very high | 92.5 | Very high | 10 Ų | 10 | 27.5 Ų | 27.5 | 7% | 0.065 | 15% | 0.147 | C | C | . | . | cis | -86 | 147.3 | -2.9 | 32.7 | -32.6 | 0 | 0 | 0 | 112.7 | W1297 | P1252-W1297 HydrophobicContact CG-CZ2 3.78Å; P1252-W1297 VanDerWaalsContact O-CD1 3.29Å; P1252-W1297 PolarHBondContact O-NE1 3.08Å | ||
| 1253 | K | 90.1 | Very high | 92.4 | Very high | 48 Ų | 48 | 34.5 Ų | 34.5 | 21% | 0.209 | 17% | 0.171 | C | C | . | . | trans | -107.2 | -26.9 | 172.6 | -58.9 | -87.8 | 177.3 | 158.7 | 0 | 113.2 | M1166 Q1250 W1297 V1298 F1303 | M1166-K1253 HydrophobicContact CE-CD 4.44Å; M1166-K1253 HydrophobicContact CE-CG 4.31Å; Q1250-K1253 WeakPolarHBondContact O-CE 3.43Å; Q1250-K1253 WeakPolarHBondContact O-CG 3.48Å; Q1250-K1253 VanDerWaalsContact OE1-NZ 3.11Å; K1253-W1297 CarbonylContact O-C 3.56Å; K1253-W1297 VanDerWaalsContact O-CA 3.28Å; K1253-W1297 WeakPolarHBondContact O-CA 3.49Å; K1253-V1298 PolarHBondContact O-N 3Å; K1253-F1303 HydrophobicContact CB-CE2 4.17Å | ||
| 1254 | I | 92.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | B | Isolated β-bridge | trans | -95.6 | 127.6 | -174.6 | -62.8 | 143.1 | 0 | 0 | 0 | 109.8 | H1218 Q1256 F1257 G1258 F1303 | H1218-I1254 HydrophobicContact CB-CD1 3.79Å; I1254-Q1256 VanDerWaalsContact C-N 3.3Å; I1254-Q1256 HydrophobicContact CG2-CB 4.46Å; I1254-Q1256 PolarHBondContact O-N 3.34Å; I1254-F1257 HydrophobicContact CB-CD2 3.9Å; I1254-F1257 HydrophobicContact CB-CE2 4.43Å; I1254-F1257 HydrophobicContact CB-CG 4.4Å; I1254-F1257 HydrophobicContact CD1-CD2 3.69Å; I1254-F1257 HydrophobicContact CD1-CE2 3.67Å; I1254-F1257 HydrophobicContact CG1-CD2 4.45Å; I1254-F1257 HydrophobicContact CG2-CD2 4.13Å; I1254-F1257 HydrophobicContact CG2-CE2 4.39Å; I1254-F1257 HydrophobicContact CG2-CG 4.42Å; I1254-F1257 PolarHBondContact O-N 2.81Å; I1254-F1257 VanDerWaalsContact O-N 3.11Å; I1254-G1258 PolarHBondContact O-N 3.42Å; I1254-F1303 HydrophobicContact CD1-CD1 3.88Å; I1254-F1303 HydrophobicContact CD1-CD2 3.92Å; I1254-F1303 HydrophobicContact CD1-CE1 4Å; I1254-F1303 HydrophobicContact CD1-CE2 4.03Å; I1254-F1303 HydrophobicContact CD1-CG 3.84Å; I1254-F1303 HydrophobicContact CD1-CZ 4.07Å; I1254-F1303 HydrophobicContact CG1-CB 4.02Å; I1254-F1303 HydrophobicContact CG1-CD1 4.2Å; I1254-F1303 HydrophobicContact CG1-CD2 3.52Å; I1254-F1303 HydrophobicContact CG1-CE2 4Å; I1254-F1303 HydrophobicContact CG1-CG 3.63Å |
| 1255 | T | 91.1 | Very high | 92.2 | Very high | 58 Ų | 58 | 35.6 Ų | 35.6 | 36% | 0.356 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -56.7 | -39.1 | -172.2 | -60.8 | 0 | 0 | 0 | 0 | 113.3 | S1259 W1297 V1298 | T1255-S1259 VanDerWaalsContact O-CB 3.23Å; T1255-S1259 WeakPolarHBondContact O-CB 3.34Å; T1255-S1259 PolarHBondContact O-N 3.16Å; T1255-S1259 PolarHBondContact O-OG 3.28Å; T1255-W1297 HydrophobicContact CG2-CE3 4.45Å; T1255-V1298 WeakPolarHBondContact CB-O 3.48Å; T1255-V1298 PolarHBondContact N-O 3.31Å; T1255-V1298 PolarHBondContact OG1-O 2.81Å |
| 1256 | Q | 90.7 | Very high | 92.2 | Very high | 99 Ų | 99 | 36 Ų | 36 | 46% | 0.463 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.9 | -46.5 | 178.1 | -62.3 | -178.5 | 19 | 0 | 0 | 112 | I1254 S1259 A1260 E1300 | I1254-Q1256 VanDerWaalsContact C-N 3.3Å; I1254-Q1256 HydrophobicContact CG2-CB 4.46Å; I1254-Q1256 PolarHBondContact O-N 3.34Å; Q1256-S1259 PolarHBondContact O-N 3.38Å; Q1256-A1260 PolarHBondContact O-N 2.8Å; Q1256-E1300 PolarHBondContact NE2-OE2 3.41Å |
| 1257 | F | 93.6 | Very high | 92.1 | Very high | 17 Ų | 17 | 38.4 Ų | 38.4 | 8% | 0.075 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -72.7 | -40.8 | -178.2 | -61.3 | -19.8 | 0 | 0 | 0 | 111.8 | H1215 H1218 Y1219 T1222 I1254 S1259 A1260 V1261 | H1215-F1257 AromaticContact CD2-CE2 3.74Å; H1215-F1257 AromaticContact CD2-CZ 3.95Å; H1215-F1257 AromaticContact NE2-CE2 3.61Å; H1215-F1257 AromaticContact NE2-CZ 3.33Å; H1215-F1257 VanDerWaalsContact NE2-CZ 3.33Å; H1215-F1257 WeakPolarHBondContact NE2-CZ 3.35Å; H1218-F1257 HydrophobicContact CB-CD2 3.85Å; H1218-F1257 HydrophobicContact CB-CE2 3.81Å; Y1219-F1257 AromaticContact CD2-CE1 4Å; Y1219-F1257 HydrophobicContact CD2-CE1 4Å; Y1219-F1257 HydrophobicContact CD2-CZ 4.15Å; Y1219-F1257 HydrophobicContact CG-CZ 4.43Å; T1222-F1257 HydrophobicContact CG2-CB 4.27Å; T1222-F1257 HydrophobicContact CG2-CD1 4.46Å; T1222-F1257 WeakPolarHBondContact OG1-CB 3.45Å; T1222-F1257 WeakPolarHBondContact OG1-CG 3.4Å; I1254-F1257 HydrophobicContact CB-CD2 3.9Å; I1254-F1257 HydrophobicContact CB-CE2 4.43Å; I1254-F1257 HydrophobicContact CB-CG 4.4Å; I1254-F1257 HydrophobicContact CD1-CD2 3.69Å; I1254-F1257 HydrophobicContact CD1-CE2 3.67Å; I1254-F1257 HydrophobicContact CG1-CD2 4.45Å; I1254-F1257 HydrophobicContact CG2-CD2 4.13Å; I1254-F1257 HydrophobicContact CG2-CE2 4.39Å; I1254-F1257 HydrophobicContact CG2-CG 4.42Å; I1254-F1257 PolarHBondContact O-N 2.81Å; I1254-F1257 VanDerWaalsContact O-N 3.11Å; F1257-S1259 VanDerWaalsContact C-N 3.34Å; F1257-S1259 PolarHBondContact O-N 3.17Å; F1257-A1260 WeakPolarHBondContact O-CB 3.33Å; F1257-A1260 PolarHBondContact O-N 2.98Å; F1257-A1260 VanDerWaalsContact O-N 3.16Å; F1257-V1261 WeakPolarHBondContact O-CG2 3.43Å; F1257-V1261 PolarHBondContact O-N 3.44Å |
| 1258 | G | 92 | Very high | 91.9 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -55.9 | -48.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1254 A1260 V1261 E1262 W1297 | I1254-G1258 PolarHBondContact O-N 3.42Å; G1258-A1260 VanDerWaalsContact C-N 3.28Å; G1258-A1260 PolarHBondContact O-N 3.12Å; G1258-V1261 PolarHBondContact O-N 2.84Å; G1258-E1262 VanDerWaalsContact O-CB 3.26Å; G1258-E1262 WeakPolarHBondContact O-CB 3.4Å; G1258-E1262 PolarHBondContact O-N 3.29Å; G1258-W1297 VanDerWaalsContact CA-CH2 3.41Å |
| 1259 | S | 92.1 | Very high | 91.8 | Very high | 33 Ų | 33 | 40.4 Ų | 40.4 | 23% | 0.231 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.1 | -20.4 | 177.8 | -54.5 | 0 | 0 | 0 | 0 | 113.9 | T1255 Q1256 F1257 R1263 | T1255-S1259 VanDerWaalsContact O-CB 3.23Å; T1255-S1259 WeakPolarHBondContact O-CB 3.34Å; T1255-S1259 PolarHBondContact O-N 3.16Å; T1255-S1259 PolarHBondContact O-OG 3.28Å; Q1256-S1259 PolarHBondContact O-N 3.38Å; F1257-S1259 VanDerWaalsContact C-N 3.34Å; F1257-S1259 PolarHBondContact O-N 3.17Å; S1259-R1263 WeakPolarHBondContact O-CB 3.49Å; S1259-R1263 VanDerWaalsContact O-CG 3.28Å; S1259-R1263 WeakPolarHBondContact O-CG 3.2Å; S1259-R1263 PolarHBondContact O-N 3.33Å; S1259-R1263 PolarHBondContact O-NE 3.35Å |
| 1260 | A | 92.6 | Very high | 91.7 | Very high | 27 Ų | 27 | 42.2 Ų | 42.2 | 22% | 0.223 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -75.7 | -48.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | T1222 Q1256 F1257 G1258 R1263 R1264 | T1222-A1260 HydrophobicContact CG2-CB 4.16Å; Q1256-A1260 PolarHBondContact O-N 2.8Å; F1257-A1260 WeakPolarHBondContact O-CB 3.33Å; F1257-A1260 PolarHBondContact O-N 2.98Å; F1257-A1260 VanDerWaalsContact O-N 3.16Å; G1258-A1260 VanDerWaalsContact C-N 3.28Å; G1258-A1260 PolarHBondContact O-N 3.12Å; A1260-R1263 PolarHBondContact O-N 3.38Å; A1260-R1264 PolarHBondContact O-N 3.04Å |
| 1261 | V | 92.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.2 | -44.3 | 175.9 | 179.1 | 0 | 0 | 0 | 0 | 110.8 | T1222 L1244 Y1251 F1257 G1258 R1263 R1264 V1265 Y1286 M1290 | T1222-V1261 HydrophobicContact CG2-CG2 4.28Å; L1244-V1261 HydrophobicContact CD1-CG1 4.07Å; L1244-V1261 HydrophobicContact CD2-CG1 4.1Å; Y1251-V1261 HydrophobicContact CE1-CG2 4.47Å; F1257-V1261 WeakPolarHBondContact O-CG2 3.43Å; F1257-V1261 PolarHBondContact O-N 3.44Å; G1258-V1261 PolarHBondContact O-N 2.84Å; V1261-R1263 PolarHBondContact O-N 3.48Å; V1261-R1264 PolarHBondContact O-N 3.47Å; V1261-V1265 HydrophobicContact CG1-CG2 4.03Å; V1261-V1265 WeakPolarHBondContact O-CB 3.49Å; V1261-V1265 VanDerWaalsContact O-CG2 3.3Å; V1261-V1265 WeakPolarHBondContact O-CG2 3.42Å; V1261-V1265 PolarHBondContact O-N 2.89Å; V1261-Y1286 HydrophobicContact CG1-CE1 3.97Å; V1261-M1290 HydrophobicContact CG1-CE 4.06Å |
| 1262 | E | 92.2 | Very high | 91.3 | Very high | 46 Ų | 46 | 45.1 Ų | 45.1 | 22% | 0.215 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.2 | -45.5 | 176.9 | -174.4 | 178.1 | -162.6 | 0 | 0 | 112 | G1258 N1266 M1290 K1294 | G1258-E1262 VanDerWaalsContact O-CB 3.26Å; G1258-E1262 WeakPolarHBondContact O-CB 3.4Å; G1258-E1262 PolarHBondContact O-N 3.29Å; E1262-N1266 WeakPolarHBondContact O-CB 3.22Å; E1262-N1266 PolarHBondContact O-N 3.21Å; E1262-N1266 PolarHBondContact O-ND2 3.29Å; E1262-M1290 HydrophobicContact CB-CE 4.3Å; E1262-M1290 HydrophobicContact CB-SD 3.81Å; E1262-M1290 HydrophobicContact CG-SD 4.11Å; E1262-K1294 IonicContact OE1-NZ 3.12Å; E1262-K1294 PolarHBondContact OE1-NZ 3.47Å; E1262-K1294 IonicContact OE2-NZ 2.72Å; E1262-K1294 PolarHBondContact OE2-NZ 2.99Å |
| 1263 | R | 92.6 | Very high | 90.8 | Very high | 175 Ų | 175 | 49 Ų | 49 | 66% | 0.66 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -63.8 | -45.1 | 175.8 | -77.6 | -179.5 | -65.7 | 160.9 | 0.2 | 112.1 | S1259 A1260 V1261 K1267 | S1259-R1263 WeakPolarHBondContact O-CB 3.49Å; S1259-R1263 VanDerWaalsContact O-CG 3.28Å; S1259-R1263 WeakPolarHBondContact O-CG 3.2Å; S1259-R1263 PolarHBondContact O-N 3.33Å; S1259-R1263 PolarHBondContact O-NE 3.35Å; A1260-R1263 PolarHBondContact O-N 3.38Å; V1261-R1263 PolarHBondContact O-N 3.48Å; R1263-K1267 WeakPolarHBondContact O-CB 3.07Å; R1263-K1267 PolarHBondContact O-N 3.42Å |
| 1264 | R | 93 | Very high | 90.4 | Very high | 22 Ų | 22 | 53 Ų | 53 | 8% | 0.083 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.6 | -40.6 | 179.8 | -178.7 | 62.8 | -151.9 | 144.5 | 11.9 | 112.4 | L1229 E1230 A1260 V1261 K1267 L1268 E1271 | L1229-R1264 HydrophobicContact CB-CG 3.9Å; L1229-R1264 HydrophobicContact CD1-CG 4.17Å; L1229-R1264 PolarHBondContact O-NE 2.82Å; L1229-R1264 VanDerWaalsContact O-NE 3.11Å; L1229-R1264 PolarHBondContact O-NH2 2.99Å; E1230-R1264 VanDerWaalsContact CG-CD 3.5Å; E1230-R1264 HydrophobicContact CG-CG 4.44Å; E1230-R1264 WeakPolarHBondContact OE1-CD 3.21Å; E1230-R1264 IonicContact OE1-NE 2.72Å; A1260-R1264 PolarHBondContact O-N 3.04Å; V1261-R1264 PolarHBondContact O-N 3.47Å; R1264-K1267 PolarHBondContact O-N 3.42Å; R1264-L1268 VanDerWaalsContact O-CB 3.32Å; R1264-L1268 WeakPolarHBondContact O-CB 3.19Å; R1264-L1268 PolarHBondContact O-N 3.19Å; R1264-E1271 IonicContact CZ-OE2 2.77Å; R1264-E1271 VanDerWaalsContact CZ-OE2 3.25Å; R1264-E1271 IonicContact NH1-OE1 3.83Å; R1264-E1271 PolarHBondContact NH1-OE1 3.49Å; R1264-E1271 IonicContact NH1-OE2 3Å; R1264-E1271 PolarHBondContact NH1-OE2 3.32Å; R1264-E1271 IonicContact NH2-OE2 2.84Å; R1264-E1271 PolarHBondContact NH2-OE2 3.35Å |
| 1265 | V | 92.6 | Very high | 90 | Very high | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67 | -42.2 | 177.9 | 170 | 0 | 0 | 0 | 0 | 111.7 | L1229 L1241 L1244 V1261 L1268 K1269 A1283 Y1286 A1287 | L1229-V1265 HydrophobicContact CD1-CG2 4.01Å; L1241-V1265 HydrophobicContact CD2-CG2 4.45Å; L1244-V1265 HydrophobicContact CD1-CG2 4.45Å; V1261-V1265 HydrophobicContact CG1-CG2 4.03Å; V1261-V1265 WeakPolarHBondContact O-CB 3.49Å; V1261-V1265 VanDerWaalsContact O-CG2 3.3Å; V1261-V1265 WeakPolarHBondContact O-CG2 3.42Å; V1261-V1265 PolarHBondContact O-N 2.89Å; V1265-L1268 PolarHBondContact O-N 2.92Å; V1265-K1269 WeakPolarHBondContact O-CB 3.46Å; V1265-K1269 PolarHBondContact O-N 3.05Å; V1265-A1283 HydrophobicContact CG1-CB 4.13Å; V1265-A1283 WeakPolarHBondContact CG1-O 3.4Å; V1265-Y1286 HydrophobicContact CG1-CD1 4.1Å; V1265-Y1286 HydrophobicContact CG2-CD1 3.93Å; V1265-Y1286 HydrophobicContact CG2-CE1 4.07Å; V1265-A1287 HydrophobicContact CG1-CB 4.14Å |
| 1266 | N | 91.8 | Very high | 89.7 | Confident | 53 Ų | 53 | 60.9 Ų | 60.9 | 28% | 0.283 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 174.3 | -77.1 | -63.8 | 0 | 0 | 0 | 111.4 | E1262 L1268 K1269 D1270 | E1262-N1266 WeakPolarHBondContact O-CB 3.22Å; E1262-N1266 PolarHBondContact O-N 3.21Å; E1262-N1266 PolarHBondContact O-ND2 3.29Å; N1266-L1268 PolarHBondContact O-N 2.85Å; N1266-K1269 WeakPolarHBondContact O-CB 2.98Å; N1266-K1269 PolarHBondContact O-N 2.81Å; N1266-D1270 PolarHBondContact O-N 3.15Å |
| 1267 | K | 91.6 | Very high | 89.5 | Confident | 121 Ų | 121 | 60.3 Ų | 60.3 | 53% | 0.526 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 175 | -165.1 | 174.4 | -172 | -92 | 0 | 111.8 | R1263 R1264 K1269 D1270 E1271 | R1263-K1267 WeakPolarHBondContact O-CB 3.07Å; R1263-K1267 PolarHBondContact O-N 3.42Å; R1264-K1267 PolarHBondContact O-N 3.42Å; K1267-K1269 PolarHBondContact O-N 3.5Å; K1267-D1270 PolarHBondContact O-N 2.97Å; K1267-E1271 WeakPolarHBondContact CE-OE1 3.45Å; K1267-E1271 HydrophobicContact CG-CG 4.32Å; K1267-E1271 WeakPolarHBondContact CG-OE1 3.41Å; K1267-E1271 IonicContact NZ-OE1 3.44Å; K1267-E1271 PolarHBondContact NZ-OE1 3.24Å; K1267-E1271 WeakPolarHBondContact O-CB 3.33Å; K1267-E1271 VanDerWaalsContact O-CG 3.29Å; K1267-E1271 WeakPolarHBondContact O-CG 3.47Å; K1267-E1271 PolarHBondContact O-N 2.86Å |
| 1268 | L | 90.5 | Very high | 89.2 | Confident | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.3 | -42.9 | 176.3 | 176.7 | 69 | 0 | 0 | 0 | 112.8 | L1229 I1237 L1241 R1264 V1265 N1266 D1270 E1271 E1272 A1283 | L1229-L1268 HydrophobicContact CD2-CD2 3.85Å; I1237-L1268 HydrophobicContact CD1-CD1 4.31Å; I1237-L1268 HydrophobicContact CG2-CD1 4.05Å; I1237-L1268 HydrophobicContact CG2-CD2 3.6Å; I1237-L1268 HydrophobicContact CG2-CG 4.41Å; L1241-L1268 HydrophobicContact CD1-CD2 4.18Å; R1264-L1268 VanDerWaalsContact O-CB 3.32Å; R1264-L1268 WeakPolarHBondContact O-CB 3.19Å; R1264-L1268 PolarHBondContact O-N 3.19Å; V1265-L1268 PolarHBondContact O-N 2.92Å; N1266-L1268 PolarHBondContact O-N 2.85Å; L1268-D1270 PolarHBondContact O-N 3.24Å; L1268-E1271 PolarHBondContact O-N 3.32Å; L1268-E1272 HydrophobicContact CD1-CG 3.7Å; L1268-E1272 WeakPolarHBondContact O-CB 3.47Å; L1268-E1272 PolarHBondContact O-N 3.43Å; L1268-A1283 HydrophobicContact CD2-CB 4.37Å |
| 1269 | K | 89.3 | Confident | 89.1 | Confident | 50 Ų | 50 | 61.9 Ų | 61.9 | 22% | 0.217 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.2 | -35.4 | 175.7 | 162.7 | -171.3 | 147.4 | -74.5 | 0 | 112 | V1265 N1266 K1267 K1273 A1283 F1284 | V1265-K1269 WeakPolarHBondContact O-CB 3.46Å; V1265-K1269 PolarHBondContact O-N 3.05Å; N1266-K1269 WeakPolarHBondContact O-CB 2.98Å; N1266-K1269 PolarHBondContact O-N 2.81Å; K1267-K1269 PolarHBondContact O-N 3.5Å; K1269-K1273 PolarHBondContact O-N 2.98Å; K1269-A1283 HydrophobicContact CB-CB 4.15Å; K1269-F1284 HydrophobicContact CD-CB 4.41Å; K1269-F1284 HydrophobicContact CD-CD2 4.13Å |
| 1270 | D | 88.5 | Confident | 89 | Confident | 93 Ų | 93 | 63.6 Ų | 63.6 | 50% | 0.497 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -87.9 | -33.3 | -179.1 | -61.2 | -27.5 | 0 | 0 | 0 | 111.8 | N1266 K1267 L1268 K1273 | N1266-D1270 PolarHBondContact O-N 3.15Å; K1267-D1270 PolarHBondContact O-N 2.97Å; L1268-D1270 PolarHBondContact O-N 3.24Å; D1270-K1273 VanDerWaalsContact O-CB 3.22Å; D1270-K1273 WeakPolarHBondContact O-CB 3.35Å |
| 1271 | E | 88.4 | Confident | 88.9 | Confident | 84 Ų | 84 | 65 Ų | 65 | 39% | 0.393 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66 | -45.2 | 172.7 | -76.4 | 170.1 | 173.4 | 0 | 0 | 113.2 | R1264 K1267 L1268 K1273 | R1264-E1271 IonicContact CZ-OE2 2.77Å; R1264-E1271 VanDerWaalsContact CZ-OE2 3.25Å; R1264-E1271 IonicContact NH1-OE1 3.83Å; R1264-E1271 PolarHBondContact NH1-OE1 3.49Å; R1264-E1271 IonicContact NH1-OE2 3Å; R1264-E1271 PolarHBondContact NH1-OE2 3.32Å; R1264-E1271 IonicContact NH2-OE2 2.84Å; R1264-E1271 PolarHBondContact NH2-OE2 3.35Å; K1267-E1271 WeakPolarHBondContact CE-OE1 3.45Å; K1267-E1271 HydrophobicContact CG-CG 4.32Å; K1267-E1271 WeakPolarHBondContact CG-OE1 3.41Å; K1267-E1271 IonicContact NZ-OE1 3.44Å; K1267-E1271 PolarHBondContact NZ-OE1 3.24Å; K1267-E1271 WeakPolarHBondContact O-CB 3.33Å; K1267-E1271 VanDerWaalsContact O-CG 3.29Å; K1267-E1271 WeakPolarHBondContact O-CG 3.47Å; K1267-E1271 PolarHBondContact O-N 2.86Å; L1268-E1271 PolarHBondContact O-N 3.32Å; E1271-K1273 VanDerWaalsContact C-N 3.31Å |
| 1272 | E | 86.9 | Confident | 88.7 | Confident | 8 Ų | 8 | 67.7 Ų | 67.7 | 4% | 0.037 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -88.8 | 1.8 | -179.1 | -67.8 | -74.1 | -162.9 | 0 | 0 | 112.9 | L1268 D1274 R1275 R1276 | L1268-E1272 HydrophobicContact CD1-CG 3.7Å; L1268-E1272 WeakPolarHBondContact O-CB 3.47Å; L1268-E1272 PolarHBondContact O-N 3.43Å; E1272-D1274 PolarHBondContact O-N 3.01Å; E1272-R1275 PolarHBondContact O-N 3.19Å; E1272-R1275 VanDerWaalsContact O-N 3.12Å; E1272-R1275 WeakPolarHBondContact OE2-CD 3.28Å; E1272-R1276 HydrophobicContact CB-CB 4.35Å; E1272-R1276 CarbonylContact O-C 3.54Å; E1272-R1276 PolarHBondContact O-N 3.28Å; E1272-R1276 WeakPolarHBondContact OE1-CD 3.46Å; E1272-R1276 IonicContact OE1-CZ 3.67Å; E1272-R1276 IonicContact OE1-NE 3.46Å; E1272-R1276 IonicContact OE1-NH1 3.42Å; E1272-R1276 PolarHBondContact OE1-NH1 3.39Å; E1272-R1276 WeakPolarHBondContact OE2-CB 3.43Å; E1272-R1276 WeakPolarHBondContact OE2-CD 3.49Å; E1272-R1276 VanDerWaalsContact OE2-CG 3.3Å; E1272-R1276 WeakPolarHBondContact OE2-CG 3.43Å |
| 1273 | K | 81.5 | Confident | 88.7 | Confident | 92 Ų | 92 | 65.5 Ų | 65.5 | 40% | 0.4 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.1 | -43.3 | -171.3 | 179.1 | -171.1 | 155.5 | -95.7 | 0 | 114 | K1269 D1270 E1271 K1280 | K1269-K1273 PolarHBondContact O-N 2.98Å; D1270-K1273 VanDerWaalsContact O-CB 3.22Å; D1270-K1273 WeakPolarHBondContact O-CB 3.35Å; E1271-K1273 VanDerWaalsContact C-N 3.31Å; K1273-K1280 WeakPolarHBondContact O-CD 3.46Å; K1273-K1280 WeakPolarHBondContact O-CE 3.32Å; K1273-K1280 PolarHBondContact O-NZ 3.03Å |
| 1274 | D | 81.7 | Confident | 88.7 | Confident | 132 Ų | 132 | 63.6 Ų | 63.6 | 71% | 0.706 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.2 | -1.3 | -172.9 | -52.9 | -49.7 | 0 | 0 | 0 | 112.2 | E1272 | E1272-D1274 PolarHBondContact O-N 3.01Š|
| 1275 | R | 83.5 | Confident | 88.7 | Confident | 173 Ų | 173 | 65.6 Ų | 65.6 | 65% | 0.653 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | -41.5 | -176.9 | -169 | -166.7 | -170.4 | -170.5 | 7.1 | 113.2 | E1272 | E1272-R1275 PolarHBondContact O-N 3.19Å; E1272-R1275 VanDerWaalsContact O-N 3.12Å; E1272-R1275 WeakPolarHBondContact OE2-CD 3.28Å |
| 1276 | R | 86.3 | Confident | 88.7 | Confident | 50 Ų | 50 | 65.6 Ų | 65.6 | 19% | 0.189 | 33% | 0.327 | C | S | . | . | trans | -142.6 | 81.1 | -176.5 | -63.2 | 179.2 | 179.7 | 148.8 | -11.3 | 110 | G1232 E1272 D1278 L1279 K1280 | G1232-R1276 PolarHBondContact O-NH1 3.45Å; G1232-R1276 PolarHBondContact O-NH2 2.87Å; G1232-R1276 VanDerWaalsContact O-NH2 3.14Å; E1272-R1276 HydrophobicContact CB-CB 4.35Å; E1272-R1276 CarbonylContact O-C 3.54Å; E1272-R1276 PolarHBondContact O-N 3.28Å; E1272-R1276 WeakPolarHBondContact OE1-CD 3.46Å; E1272-R1276 IonicContact OE1-CZ 3.67Å; E1272-R1276 IonicContact OE1-NE 3.46Å; E1272-R1276 IonicContact OE1-NH1 3.42Å; E1272-R1276 PolarHBondContact OE1-NH1 3.39Å; E1272-R1276 WeakPolarHBondContact OE2-CB 3.43Å; E1272-R1276 WeakPolarHBondContact OE2-CD 3.49Å; E1272-R1276 VanDerWaalsContact OE2-CG 3.3Å; E1272-R1276 WeakPolarHBondContact OE2-CG 3.43Å; R1276-D1278 PolarHBondContact O-N 2.81Å; R1276-D1278 VanDerWaalsContact O-N 3.15Å; R1276-L1279 HydrophobicContact CB-CB 4.2Å; R1276-L1279 HydrophobicContact CB-CD1 4.09Å; R1276-L1279 HydrophobicContact CB-CG 4.03Å; R1276-L1279 VanDerWaalsContact CD-CD1 3.47Å; R1276-L1279 HydrophobicContact CG-CD1 4.45Å; R1276-L1279 PolarHBondContact O-N 3.03Å; R1276-L1279 VanDerWaalsContact O-N 3.16Å; R1276-K1280 PolarHBondContact O-N 3.39Å; R1276-K1280 VanDerWaalsContact O-N 3.15Å | ||
| 1277 | P | 86.3 | Confident | 88.7 | Confident | 88 Ų | 88 | 63.6 Ų | 63.6 | 57% | 0.571 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -64.8 | -20.7 | -171.2 | 25.8 | -34.8 | 0 | 0 | 0 | 113.9 | A1281 | P1277-A1281 WeakPolarHBondContact O-CB 3.17Å; P1277-A1281 PolarHBondContact O-N 3.32Å |
| 1278 | D | 86.1 | Confident | 88.6 | Confident | 49 Ų | 49 | 59.6 Ų | 59.6 | 26% | 0.262 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -73.6 | -43.2 | 174.1 | 67.1 | -43.8 | 0 | 0 | 0 | 112.4 | K873 Y1234 R1238 R1276 K1280 A1281 L1282 | K873-D1278 IonicContact NZ-OD2 3.3Å; Y1234-D1278 WeakPolarHBondContact CE2-OD2 3.29Å; Y1234-D1278 VanDerWaalsContact CZ-OD2 3.31Å; Y1234-D1278 PolarHBondContact OH-OD2 2.87Å; R1238-D1278 IonicContact NH1-OD2 2.7Å; R1238-D1278 PolarHBondContact NH1-OD2 2.7Å; R1276-D1278 PolarHBondContact O-N 2.81Å; R1276-D1278 VanDerWaalsContact O-N 3.15Å; D1278-K1280 VanDerWaalsContact C-N 3.34Å; D1278-A1281 PolarHBondContact O-N 3.03Å; D1278-L1282 PolarHBondContact O-N 3.2Å |
| 1279 | L | 90.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.6 | -40.2 | 173.7 | -60.3 | -170.3 | 0 | 0 | 0 | 111.4 | Y1234 I1237 R1238 R1276 A1281 L1282 A1283 | Y1234-L1279 HydrophobicContact CD2-CD1 3.87Å; Y1234-L1279 HydrophobicContact CD2-CD2 4Å; Y1234-L1279 HydrophobicContact CD2-CG 4.04Å; Y1234-L1279 HydrophobicContact CE2-CD1 4.26Å; Y1234-L1279 HydrophobicContact CE2-CD2 3.65Å; Y1234-L1279 HydrophobicContact CE2-CG 3.89Å; I1237-L1279 HydrophobicContact CB-CD1 4.19Å; I1237-L1279 HydrophobicContact CD1-CD1 4.42Å; I1237-L1279 HydrophobicContact CG2-CD1 3.9Å; R1238-L1279 HydrophobicContact CB-CD2 3.77Å; R1238-L1279 HydrophobicContact CG-CD2 4.19Å; R1276-L1279 HydrophobicContact CB-CB 4.2Å; R1276-L1279 HydrophobicContact CB-CD1 4.09Å; R1276-L1279 HydrophobicContact CB-CG 4.03Å; R1276-L1279 VanDerWaalsContact CD-CD1 3.47Å; R1276-L1279 HydrophobicContact CG-CD1 4.45Å; R1276-L1279 PolarHBondContact O-N 3.03Å; R1276-L1279 VanDerWaalsContact O-N 3.16Å; L1279-A1281 VanDerWaalsContact C-N 3.33Å; L1279-A1281 PolarHBondContact O-N 3.4Å; L1279-L1282 PolarHBondContact O-N 2.83Å; L1279-A1283 WeakPolarHBondContact O-CB 3.39Å; L1279-A1283 PolarHBondContact O-N 3.4Å |
| 1280 | K | 89.9 | Confident | 88.6 | Confident | 69 Ų | 69 | 61.1 Ų | 61.1 | 30% | 0.3 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -56.7 | -43.7 | 171.4 | 176.1 | -157.2 | -164.6 | 165.8 | 0 | 112.1 | K1273 R1276 D1278 A1283 F1284 | K1273-K1280 WeakPolarHBondContact O-CD 3.46Å; K1273-K1280 WeakPolarHBondContact O-CE 3.32Å; K1273-K1280 PolarHBondContact O-NZ 3.03Å; R1276-K1280 PolarHBondContact O-N 3.39Å; R1276-K1280 VanDerWaalsContact O-N 3.15Å; D1278-K1280 VanDerWaalsContact C-N 3.34Å; K1280-A1283 PolarHBondContact O-N 3.11Å; K1280-F1284 VanDerWaalsContact O-CB 3.3Å; K1280-F1284 WeakPolarHBondContact O-CB 3.47Å; K1280-F1284 PolarHBondContact O-N 2.75Å |
| 1281 | A | 90.6 | Very high | 88.6 | Confident | 57 Ų | 57 | 65 Ų | 65 | 47% | 0.471 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.4 | -42.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | P1277 D1278 L1279 F1284 S1285 | P1277-A1281 WeakPolarHBondContact O-CB 3.17Å; P1277-A1281 PolarHBondContact O-N 3.32Å; D1278-A1281 PolarHBondContact O-N 3.03Å; L1279-A1281 VanDerWaalsContact C-N 3.33Å; L1279-A1281 PolarHBondContact O-N 3.4Å; A1281-F1284 PolarHBondContact O-N 2.98Å; A1281-S1285 WeakPolarHBondContact O-CB 3.25Å; A1281-S1285 PolarHBondContact O-N 3.2Å |
| 1282 | L | 89.7 | Confident | 88.6 | Confident | 57 Ų | 57 | 65.5 Ų | 65.5 | 30% | 0.298 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.5 | -46.5 | 174.2 | -69.3 | 172.3 | 0 | 0 | 0 | 111.9 | R1238 L1241 D1278 L1279 F1284 S1285 Y1286 | R1238-L1282 HydrophobicContact CG-CD1 3.89Å; L1241-L1282 HydrophobicContact CB-CB 4.39Å; L1241-L1282 HydrophobicContact CD1-CB 3.81Å; D1278-L1282 PolarHBondContact O-N 3.2Å; L1279-L1282 PolarHBondContact O-N 2.83Å; L1282-F1284 PolarHBondContact O-N 2.87Å; L1282-S1285 PolarHBondContact O-N 2.74Å; L1282-Y1286 WeakPolarHBondContact O-CB 3.45Å; L1282-Y1286 PolarHBondContact O-N 3.26Å |
| 1283 | A | 92.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1241 V1265 L1268 K1269 L1279 K1280 A1287 | L1241-A1283 HydrophobicContact CD1-CB 4.22Å; L1241-A1283 HydrophobicContact CD2-CB 4.38Å; V1265-A1283 HydrophobicContact CG1-CB 4.13Å; V1265-A1283 WeakPolarHBondContact CG1-O 3.4Å; L1268-A1283 HydrophobicContact CD2-CB 4.37Å; K1269-A1283 HydrophobicContact CB-CB 4.15Å; L1279-A1283 WeakPolarHBondContact O-CB 3.39Å; L1279-A1283 PolarHBondContact O-N 3.4Å; K1280-A1283 PolarHBondContact O-N 3.11Å; A1283-A1287 VanDerWaalsContact O-CB 3.3Å; A1283-A1287 WeakPolarHBondContact O-CB 3.28Å; A1283-A1287 PolarHBondContact O-N 3.04Å |
| 1284 | F | 92.4 | Very high | 88.8 | Confident | 134 Ų | 134 | 69.8 Ų | 69.8 | 59% | 0.588 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -65.6 | -43 | 174.8 | 179.6 | -102.2 | 0 | 0 | 0 | 112.4 | K1269 K1280 A1281 L1282 A1287 G1288 | K1269-F1284 HydrophobicContact CD-CB 4.41Å; K1269-F1284 HydrophobicContact CD-CD2 4.13Å; K1280-F1284 VanDerWaalsContact O-CB 3.3Å; K1280-F1284 WeakPolarHBondContact O-CB 3.47Å; K1280-F1284 PolarHBondContact O-N 2.75Å; A1281-F1284 PolarHBondContact O-N 2.98Å; L1282-F1284 PolarHBondContact O-N 2.87Å; F1284-A1287 PolarHBondContact O-N 2.73Å; F1284-G1288 PolarHBondContact O-N 2.59Å |
| 1285 | S | 91.4 | Very high | 89.1 | Confident | 65 Ų | 65 | 69.7 Ų | 69.7 | 46% | 0.455 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.2 | -49.9 | 176.8 | -172.3 | 0 | 0 | 0 | 0 | 111.3 | A1281 L1282 A1287 G1288 L1289 | A1281-S1285 WeakPolarHBondContact O-CB 3.25Å; A1281-S1285 PolarHBondContact O-N 3.2Å; L1282-S1285 PolarHBondContact O-N 2.74Å; S1285-A1287 PolarHBondContact O-N 3.17Å; S1285-G1288 WeakPolarHBondContact O-CA 3.42Å; S1285-G1288 PolarHBondContact O-N 3.06Å; S1285-L1289 WeakPolarHBondContact O-CG 3.37Å; S1285-L1289 PolarHBondContact O-N 3.25Å |
| 1286 | Y | 93.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61 | -41.7 | 176.6 | 178.6 | -105.7 | 0 | 0 | 0 | 112.6 | L1244 L1248 V1261 V1265 L1282 G1288 L1289 M1290 | L1244-Y1286 HydrophobicContact CB-CD2 4.07Å; L1244-Y1286 HydrophobicContact CB-CE1 4.28Å; L1244-Y1286 HydrophobicContact CB-CE2 3.72Å; L1244-Y1286 HydrophobicContact CD1-CD1 4.16Å; L1244-Y1286 HydrophobicContact CD1-CE1 3.78Å; L1244-Y1286 HydrophobicContact CD2-CE1 4.31Å; L1244-Y1286 HydrophobicContact CD2-CE2 4.46Å; L1244-Y1286 HydrophobicContact CG-CE1 4.37Å; L1244-Y1286 WeakPolarHBondContact O-CE2 3.36Å; L1248-Y1286 HydrophobicContact CD1-CE2 3.91Å; L1248-Y1286 HydrophobicContact CD2-CD2 4.47Å; L1248-Y1286 HydrophobicContact CD2-CE2 4.13Å; L1248-Y1286 HydrophobicContact CG-CE2 4.41Å; V1261-Y1286 HydrophobicContact CG1-CE1 3.97Å; V1265-Y1286 HydrophobicContact CG1-CD1 4.1Å; V1265-Y1286 HydrophobicContact CG2-CD1 3.93Å; V1265-Y1286 HydrophobicContact CG2-CE1 4.07Å; L1282-Y1286 WeakPolarHBondContact O-CB 3.45Å; L1282-Y1286 PolarHBondContact O-N 3.26Å; Y1286-G1288 VanDerWaalsContact C-N 3.26Å; Y1286-G1288 PolarHBondContact O-N 3.05Å; Y1286-L1289 PolarHBondContact O-N 2.95Å; Y1286-M1290 HydrophobicContact CD1-CE 4.23Å; Y1286-M1290 HydrophobicContact CE1-CE 3.32Å; Y1286-M1290 WeakPolarHBondContact O-CB 3.46Å; Y1286-M1290 PolarHBondContact O-N 3.36Å |
| 1287 | A | 91.7 | Very high | 89.5 | Confident | 12 Ų | 12 | 68.2 Ų | 68.2 | 10% | 0.099 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.1 | -30.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V1265 A1283 F1284 S1285 R1291 | V1265-A1287 HydrophobicContact CG1-CB 4.14Å; A1283-A1287 VanDerWaalsContact O-CB 3.3Å; A1283-A1287 WeakPolarHBondContact O-CB 3.28Å; A1283-A1287 PolarHBondContact O-N 3.04Å; F1284-A1287 PolarHBondContact O-N 2.73Å; S1285-A1287 PolarHBondContact O-N 3.17Å; A1287-R1291 WeakPolarHBondContact O-CG 3.35Å |
| 1288 | G | 90.3 | Very high | 89.7 | Confident | 36 Ų | 36 | 65.7 Ų | 65.7 | 37% | 0.371 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.9 | -49.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F1284 S1285 Y1286 M1290 R1291 P1292 | F1284-G1288 PolarHBondContact O-N 2.59Å; S1285-G1288 WeakPolarHBondContact O-CA 3.42Å; S1285-G1288 PolarHBondContact O-N 3.06Å; Y1286-G1288 VanDerWaalsContact C-N 3.26Å; Y1286-G1288 PolarHBondContact O-N 3.05Å; G1288-M1290 VanDerWaalsContact C-N 3.3Å; G1288-M1290 PolarHBondContact O-N 3.48Å; G1288-R1291 PolarHBondContact O-N 3.47Å; G1288-P1292 WeakPolarHBondContact O-CD 3.49Å |
| 1289 | L | 90.4 | Very high | 89.8 | Confident | 80 Ų | 80 | 65.5 Ų | 65.5 | 42% | 0.419 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.9 | -30.3 | -179.5 | -65.3 | 171.8 | 0 | 0 | 0 | 113.3 | T1245 L1248 S1285 Y1286 P1292 | T1245-L1289 HydrophobicContact CG2-CD1 3.98Å; L1248-L1289 HydrophobicContact CD2-CB 3.57Å; S1285-L1289 WeakPolarHBondContact O-CG 3.37Å; S1285-L1289 PolarHBondContact O-N 3.25Å; Y1286-L1289 PolarHBondContact O-N 2.95Å; L1289-P1292 WeakPolarHBondContact O-CD 3.27Å |
| 1290 | M | 89.1 | Confident | 89.7 | Confident | 4 Ų | 4 | 66.8 Ų | 66.8 | 2% | 0.02 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.3 | -38.9 | 178.2 | -173.1 | -166.1 | -67.1 | 0 | 0 | 113 | V1261 E1262 Y1286 G1288 R1293 K1294 W1297 | V1261-M1290 HydrophobicContact CG1-CE 4.06Å; E1262-M1290 HydrophobicContact CB-CE 4.3Å; E1262-M1290 HydrophobicContact CB-SD 3.81Å; E1262-M1290 HydrophobicContact CG-SD 4.11Å; Y1286-M1290 HydrophobicContact CD1-CE 4.23Å; Y1286-M1290 HydrophobicContact CE1-CE 3.32Å; Y1286-M1290 WeakPolarHBondContact O-CB 3.46Å; Y1286-M1290 PolarHBondContact O-N 3.36Å; G1288-M1290 VanDerWaalsContact C-N 3.3Å; G1288-M1290 PolarHBondContact O-N 3.48Å; M1290-R1293 PolarHBondContact O-N 3.06Å; M1290-K1294 PolarHBondContact O-N 2.86Å; M1290-W1297 HydrophobicContact CG-CH2 4.27Å; M1290-W1297 HydrophobicContact CG-CZ2 3.79Å; M1290-W1297 HydrophobicContact SD-CH2 3.68Å; M1290-W1297 HydrophobicContact SD-CZ2 3.75Å |
| 1291 | R | 87.9 | Confident | 89.4 | Confident | 175 Ų | 175 | 70 Ų | 70 | 66% | 0.66 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -49.1 | -54 | -172.9 | -73.9 | 168.5 | -177.1 | -164.1 | -1.9 | 114.8 | A1287 G1288 R1293 K1294 | A1287-R1291 WeakPolarHBondContact O-CG 3.35Å; G1288-R1291 PolarHBondContact O-N 3.47Å; R1291-R1293 PolarHBondContact O-N 2.9Å; R1291-K1294 WeakPolarHBondContact O-CB 3.39Å; R1291-K1294 PolarHBondContact O-N 3.22Å |
| 1292 | P | 88.4 | Confident | 89.2 | Confident | 94 Ų | 94 | 73.4 Ų | 73.4 | 61% | 0.61 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -66.4 | -20.7 | -179.8 | 26.6 | -36.2 | 0 | 0 | 0 | 113.7 | G1288 L1289 | G1288-P1292 WeakPolarHBondContact O-CD 3.49Å; L1289-P1292 WeakPolarHBondContact O-CD 3.27Å |
| 1293 | R | 85.9 | Confident | 89.1 | Confident | 105 Ų | 105 | 71 Ų | 71 | 40% | 0.396 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -88.9 | -13.4 | 179.7 | -68.3 | -179.7 | 177.1 | -178.8 | 0.6 | 113.2 | L1248 P1249 M1290 R1291 V1295 K1296 | L1248-R1293 WeakPolarHBondContact O-CD 3.27Å; L1248-R1293 PolarHBondContact O-NH1 2.86Å; P1249-R1293 VanDerWaalsContact CA-NH1 3.29Å; M1290-R1293 PolarHBondContact O-N 3.06Å; R1291-R1293 PolarHBondContact O-N 2.9Å; R1293-V1295 PolarHBondContact O-N 2.88Å; R1293-K1296 WeakPolarHBondContact O-CB 3.42Å; R1293-K1296 PolarHBondContact O-N 2.9Å |
| 1294 | K | 88.1 | Confident | 88.9 | Confident | 85 Ų | 85 | 71.4 Ų | 71.4 | 37% | 0.37 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -60.2 | -23.5 | 173.1 | -173.4 | 157 | 178.5 | 169.1 | 0 | 113.9 | E1262 M1290 R1291 K1296 W1297 | E1262-K1294 IonicContact OE1-NZ 3.12Å; E1262-K1294 PolarHBondContact OE1-NZ 3.47Å; E1262-K1294 IonicContact OE2-NZ 2.72Å; E1262-K1294 PolarHBondContact OE2-NZ 2.99Å; M1290-K1294 PolarHBondContact O-N 2.86Å; R1291-K1294 WeakPolarHBondContact O-CB 3.39Å; R1291-K1294 PolarHBondContact O-N 3.22Å; K1294-K1296 PolarHBondContact O-N 3.08Å; K1294-W1297 HydrophobicContact CB-CD2 4.29Å; K1294-W1297 HydrophobicContact CB-CE3 4.46Å; K1294-W1297 HydrophobicContact CB-CZ2 4.39Å; K1294-W1297 HydrophobicContact CD-CE3 4.14Å; K1294-W1297 HydrophobicContact CD-CH2 3.99Å; K1294-W1297 HydrophobicContact CD-CZ3 3.72Å; K1294-W1297 HydrophobicContact CG-CD2 3.96Å; K1294-W1297 HydrophobicContact CG-CE3 3.68Å; K1294-W1297 HydrophobicContact CG-CH2 4.16Å; K1294-W1297 HydrophobicContact CG-CZ2 4.44Å; K1294-W1297 HydrophobicContact CG-CZ3 3.79Å; K1294-W1297 WeakPolarHBondContact O-CB 3.45Å; K1294-W1297 PolarHBondContact O-N 2.98Å |
| 1295 | V | 87.9 | Confident | 88.4 | Confident | 131 Ų | 131 | 70.1 Ų | 70.1 | 79% | 0.794 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -68.4 | -21.1 | 172.7 | -173.8 | 0 | 0 | 0 | 0 | 112.3 | R1293 W1297 | R1293-V1295 PolarHBondContact O-N 2.88Å; V1295-W1297 VanDerWaalsContact C-N 3.34Å |
| 1296 | K | 85.9 | Confident | 87.3 | Confident | 161 Ų | 161 | 72.2 Ų | 72.2 | 70% | 0.7 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -95.9 | 21.6 | 175.9 | -56.2 | -169 | 177.8 | -168.7 | 0 | 112.5 | R1293 K1294 | R1293-K1296 WeakPolarHBondContact O-CB 3.42Å; R1293-K1296 PolarHBondContact O-N 2.9Å; K1294-K1296 PolarHBondContact O-N 3.08Å |
| 1297 | W | 91.2 | Very high | 85.7 | Confident | 30 Ų | 30 | 80.4 Ų | 80.4 | 11% | 0.114 | 40% | 0.398 | C | S | . | . | trans | -92.7 | 136.7 | 177.5 | -68.6 | -1 | 0 | 0 | 0 | 111.6 | P1252 K1253 T1255 G1258 M1290 K1294 V1295 | P1252-W1297 HydrophobicContact CG-CZ2 3.78Å; P1252-W1297 VanDerWaalsContact O-CD1 3.29Å; P1252-W1297 PolarHBondContact O-NE1 3.08Å; K1253-W1297 CarbonylContact O-C 3.56Å; K1253-W1297 VanDerWaalsContact O-CA 3.28Å; K1253-W1297 WeakPolarHBondContact O-CA 3.49Å; T1255-W1297 HydrophobicContact CG2-CE3 4.45Å; G1258-W1297 VanDerWaalsContact CA-CH2 3.41Å; M1290-W1297 HydrophobicContact CG-CH2 4.27Å; M1290-W1297 HydrophobicContact CG-CZ2 3.79Å; M1290-W1297 HydrophobicContact SD-CH2 3.68Å; M1290-W1297 HydrophobicContact SD-CZ2 3.75Å; K1294-W1297 HydrophobicContact CB-CD2 4.29Å; K1294-W1297 HydrophobicContact CB-CE3 4.46Å; K1294-W1297 HydrophobicContact CB-CZ2 4.39Å; K1294-W1297 HydrophobicContact CD-CE3 4.14Å; K1294-W1297 HydrophobicContact CD-CH2 3.99Å; K1294-W1297 HydrophobicContact CD-CZ3 3.72Å; K1294-W1297 HydrophobicContact CG-CD2 3.96Å; K1294-W1297 HydrophobicContact CG-CE3 3.68Å; K1294-W1297 HydrophobicContact CG-CH2 4.16Å; K1294-W1297 HydrophobicContact CG-CZ2 4.44Å; K1294-W1297 HydrophobicContact CG-CZ3 3.79Å; K1294-W1297 WeakPolarHBondContact O-CB 3.45Å; K1294-W1297 PolarHBondContact O-N 2.98Å; V1295-W1297 VanDerWaalsContact C-N 3.34Å | ||
| 1298 | V | 90.2 | Very high | 83.5 | Confident | 36 Ų | 36 | 86.3 Ų | 86.3 | 22% | 0.218 | 43% | 0.433 | C | S | . | . | B | Isolated β-bridge | trans | -111.7 | 158.7 | -170.3 | 173.7 | 0 | 0 | 0 | 0 | 108.9 | K1253 T1255 E1302 F1303 | K1253-V1298 PolarHBondContact O-N 3Å; T1255-V1298 WeakPolarHBondContact CB-O 3.48Å; T1255-V1298 PolarHBondContact N-O 3.31Å; T1255-V1298 PolarHBondContact OG1-O 2.81Å; V1298-E1302 HydrophobicContact CG1-CB 3.59Å; V1298-E1302 HydrophobicContact CG1-CG 3.62Å; V1298-F1303 HydrophobicContact CG1-CB 4.36Å |
| 1299 | S | 88.8 | Confident | 81 | Confident | 44 Ų | 44 | 93.3 Ų | 93.3 | 31% | 0.308 | 45% | 0.453 | S | S | . | . | trans | -72.2 | 173.3 | 173.4 | 81.4 | 0 | 0 | 0 | 0 | 111.5 | E1301 E1302 F1303 | S1299-E1301 PolarHBondContact OG-N 3.3Å; S1299-E1302 VanDerWaalsContact OG-CB 3.26Å; S1299-E1302 WeakPolarHBondContact OG-CB 3.47Å; S1299-E1302 PolarHBondContact OG-N 3.1Å; S1299-F1303 WeakPolarHBondContact O-CB 3.4Å; S1299-F1303 PolarHBondContact O-N 3.3Å | ||
| 1300 | E | 87.4 | Confident | 78.2 | Confident | 27 Ų | 27 | 94.8 Ų | 94.8 | 13% | 0.126 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -68.7 | -42.6 | 171 | -170.4 | -171.9 | 162 | 0 | 0 | 110.5 | Q1256 F1303 H1304 K1306 | Q1256-E1300 PolarHBondContact NE2-OE2 3.41Å; E1300-F1303 WeakPolarHBondContact O-CB 3.44Å; E1300-F1303 PolarHBondContact O-N 2.87Å; E1300-F1303 VanDerWaalsContact O-N 3.13Å; E1300-H1304 PolarHBondContact O-N 3.24Å; E1300-H1304 VanDerWaalsContact O-N 3.1Å; E1300-K1306 WeakPolarHBondContact OE1-CE 3.29Å; E1300-K1306 IonicContact OE1-NZ 2.73Å; E1300-K1306 PolarHBondContact OE1-NZ 3.17Å; E1300-K1306 IonicContact OE2-NZ 2.89Å; E1300-K1306 PolarHBondContact OE2-NZ 2.91Å |
| 1301 | E | 84.9 | Confident | 75.8 | Confident | 136 Ų | 136 | 102.1 Ų | 102.1 | 64% | 0.636 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -69.3 | -32.3 | -175.6 | -65.1 | 153.3 | -167.4 | 0 | 0 | 113.2 | S1299 H1304 | S1299-E1301 PolarHBondContact OG-N 3.3Å; E1301-H1304 CarbonylContact C-O 3.58Å; E1301-H1304 VanDerWaalsContact O-O 3.12Å |
| 1302 | E | 84.9 | Confident | 73.1 | Confident | 130 Ų | 130 | 104.5 Ų | 104.5 | 61% | 0.607 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -80.5 | -22.5 | 173.6 | -174.2 | -173 | 170 | 0 | 0 | 111.2 | R1211 V1298 S1299 | R1211-E1302 PolarHBondContact NH2-O 3.1Å; V1298-E1302 HydrophobicContact CG1-CB 3.59Å; V1298-E1302 HydrophobicContact CG1-CG 3.62Å; S1299-E1302 VanDerWaalsContact OG-CB 3.26Å; S1299-E1302 WeakPolarHBondContact OG-CB 3.47Å; S1299-E1302 PolarHBondContact OG-N 3.1Å |
| 1303 | F | 89.1 | Confident | 70.4 | Confident | 5 Ų | 5 | 104.6 Ų | 104.6 | 2% | 0.022 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -78.9 | -38.2 | 176.4 | -163.9 | -86.5 | 0 | 0 | 0 | 112.8 | M1166 H1169 R1211 V1214 H1215 H1218 K1253 I1254 V1298 S1299 E1300 | M1166-F1303 HydrophobicContact CE-CE2 4.24Å; M1166-F1303 HydrophobicContact SD-CZ 4.46Å; H1169-F1303 AromaticContact CD2-CE1 3.95Å; H1169-F1303 AromaticContact CD2-CZ 3.96Å; H1169-F1303 AromaticContact CE1-CD2 3.63Å; H1169-F1303 AromaticContact CE1-CE1 3.86Å; H1169-F1303 AromaticContact CE1-CE2 3.36Å; H1169-F1303 WeakPolarHBondContact CE1-CE2 3.38Å; H1169-F1303 AromaticContact CE1-CG 4Å; H1169-F1303 AromaticContact CE1-CZ 3.48Å; H1169-F1303 VanDerWaalsContact CE1-CZ 3.48Å; H1169-F1303 WeakPolarHBondContact CE1-CZ 3.33Å; H1169-F1303 AromaticContact ND1-CE2 3.92Å; H1169-F1303 AromaticContact ND1-CZ 3.94Å; H1169-F1303 AromaticContact NE2-CD1 3.63Å; H1169-F1303 AromaticContact NE2-CE1 3.38Å; H1169-F1303 WeakPolarHBondContact NE2-CE1 3.49Å; H1169-F1303 AromaticContact NE2-CE2 3.79Å; H1169-F1303 AromaticContact NE2-CG 3.94Å; H1169-F1303 AromaticContact NE2-CZ 3.46Å; H1169-F1303 WeakPolarHBondContact NE2-CZ 3.24Å; H1169-F1303 PolarHBondContact NE2-O 3.39Å; R1211-F1303 PolarHBondContact NE-O 3.08Å; R1211-F1303 VanDerWaalsContact NH2-C 3.3Å; R1211-F1303 PolarHBondContact NH2-O 3.26Å; V1214-F1303 HydrophobicContact CB-CE1 4.33Å; V1214-F1303 HydrophobicContact CG1-CE1 4Å; V1214-F1303 HydrophobicContact CG1-CZ 3.81Å; H1215-F1303 HydrophobicContact CB-CD1 4.13Å; H1215-F1303 HydrophobicContact CB-CE1 4.18Å; H1218-F1303 AromaticContact CE1-CZ 3.9Å; K1253-F1303 HydrophobicContact CB-CE2 4.17Å; I1254-F1303 HydrophobicContact CD1-CD1 3.88Å; I1254-F1303 HydrophobicContact CD1-CD2 3.92Å; I1254-F1303 HydrophobicContact CD1-CE1 4Å; I1254-F1303 HydrophobicContact CD1-CE2 4.03Å; I1254-F1303 HydrophobicContact CD1-CG 3.84Å; I1254-F1303 HydrophobicContact CD1-CZ 4.07Å; I1254-F1303 HydrophobicContact CG1-CB 4.02Å; I1254-F1303 HydrophobicContact CG1-CD1 4.2Å; I1254-F1303 HydrophobicContact CG1-CD2 3.52Å; I1254-F1303 HydrophobicContact CG1-CE2 4Å; I1254-F1303 HydrophobicContact CG1-CG 3.63Å; V1298-F1303 HydrophobicContact CG1-CB 4.36Å; S1299-F1303 WeakPolarHBondContact O-CB 3.4Å; S1299-F1303 PolarHBondContact O-N 3.3Å; E1300-F1303 WeakPolarHBondContact O-CB 3.44Å; E1300-F1303 PolarHBondContact O-N 2.87Å; E1300-F1303 VanDerWaalsContact O-N 3.13Å |
| 1304 | H | 87.5 | Confident | 67.9 | Low | 9 Ų | 9 | 107.9 Ų | 107.9 | 4% | 0.042 | 54% | 0.539 | C | S | . | . | S | Bend | trans | -155.6 | 154.4 | 170.9 | 74.2 | 84.5 | 0 | 0 | 0 | 111.6 | R1211 H1212 H1215 E1300 E1301 | R1211-H1304 HydrophobicContact CB-CB 3.83Å; H1212-H1304 AromaticContact CE1-ND1 3.4Å; H1212-H1304 PolarHBondContact CE1-ND1 3.4Å; H1212-H1304 AromaticContact ND1-CE1 3.66Å; H1212-H1304 AromaticContact ND1-CG 3.88Å; H1212-H1304 AromaticContact ND1-ND1 3.14Å; H1212-H1304 PolarHBondContact ND1-ND1 2.96Å; H1212-H1304 VanDerWaalsContact ND1-ND1 3.14Å; H1215-H1304 VanDerWaalsContact CB-CD2 3.49Å; H1215-H1304 WeakPolarHBondContact CB-CD2 3.15Å; H1215-H1304 AromaticContact CD2-CD2 3.76Å; H1215-H1304 AromaticContact CD2-NE2 3.81Å; H1215-H1304 AromaticContact CE1-NE2 3.39Å; H1215-H1304 PolarHBondContact CE1-NE2 3.25Å; H1215-H1304 AromaticContact CG-CD2 3.35Å; H1215-H1304 AromaticContact CG-NE2 3.36Å; H1215-H1304 AromaticContact ND1-CD2 3.62Å; H1215-H1304 AromaticContact ND1-NE2 3.09Å; H1215-H1304 PolarHBondContact ND1-NE2 3.22Å; H1215-H1304 AromaticContact NE2-NE2 3.87Å; E1300-H1304 PolarHBondContact O-N 3.24Å; E1300-H1304 VanDerWaalsContact O-N 3.1Å; E1301-H1304 CarbonylContact C-O 3.58Å; E1301-H1304 VanDerWaalsContact O-O 3.12Å |
| 1305 | L | 81.6 | Confident | 65.1 | Low | 107 Ų | 107 | 109.6 Ų | 109.6 | 56% | 0.56 | 56% | 0.557 | S | S | * | * | trans | -65.6 | 145.5 | 174.4 | -63.6 | 178 | 0 | 0 | 0 | 111.7 | E1208 H1212 | E1208-L1305 HydrophobicContact CG-CD1 4.08Å; E1208-L1305 PolarHBondContact OE2-N 2.66Å; H1212-L1305 PolarHBondContact CE1-O 3.09Å | ||
| 1306 | K | 69.7 | Low | 62.3 | Low | 110 Ų | 110 | 110.1 Ų | 110.1 | 48% | 0.478 | 56% | 0.555 | S | S | . | * | trans | -118.8 | 122.3 | -173.1 | -169.7 | 163.8 | 179.5 | 165.5 | 0 | 111.7 | E1300 T1308 | E1300-K1306 WeakPolarHBondContact OE1-CE 3.29Å; E1300-K1306 IonicContact OE1-NZ 2.73Å; E1300-K1306 PolarHBondContact OE1-NZ 3.17Å; E1300-K1306 IonicContact OE2-NZ 2.89Å; E1300-K1306 PolarHBondContact OE2-NZ 2.91Å; K1306-T1308 PolarHBondContact O-N 3.02Å | ||
| 1307 | E | 59.9 | Low | 59.7 | Low | 172 Ų | 172 | 108.3 Ų | 108.3 | 80% | 0.804 | 56% | 0.558 | S | S | * | * | trans | -69.3 | 100.5 | 177 | -70.3 | -169.8 | 152.9 | 0 | 0 | 111.5 | K1309 | E1307-K1309 PolarHBondContact O-N 3.29Å; E1307-K1309 VanDerWaalsContact O-N 3.07Å | ||
| 1308 | T | 43.6 | Very low | 56.8 | Low | 135 Ų | 135 | 114 Ų | 114 | 83% | 0.828 | 59% | 0.591 | S | S | * | * | trans | -70.4 | 100.7 | 170.9 | -55.3 | 0 | 0 | 0 | 0 | 109.8 | K1306 S1310 | K1306-T1308 PolarHBondContact O-N 3.02Å; T1308-S1310 PolarHBondContact O-N 3.01Å; T1308-S1310 VanDerWaalsContact O-N 3.11Å | ||
| 1309 | K | 39.7 | Very low | 54.1 | Low | 184 Ų | 184 | 123.7 Ų | 123.7 | 80% | 0.8 | 63% | 0.625 | S | S | * | * | trans | -60.2 | 115 | 175.3 | -75 | -172.7 | 175.9 | -177.6 | 0 | 110.9 | E1307 I1311 | E1307-K1309 PolarHBondContact O-N 3.29Å; E1307-K1309 VanDerWaalsContact O-N 3.07Å; K1309-I1311 PolarHBondContact O-N 3.39Å | ||
| 1310 | S | 31.1 | Very low | 51.4 | Low | 110 Ų | 110 | 127.1 Ų | 127.1 | 77% | 0.769 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 120.3 | 167.3 | 172.6 | 0 | 0 | 0 | 0 | 110 | T1308 | T1308-S1310 PolarHBondContact O-N 3.01Å; T1308-S1310 VanDerWaalsContact O-N 3.11Å |
| 1311 | I | 38 | Very low | 48.9 | Very low | 159 Ų | 159 | 131.7 Ų | 131.7 | 82% | 0.815 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 130.5 | 167.5 | -64.7 | 175.7 | 0 | 0 | 0 | 107.2 | K1309 | K1309-I1311 PolarHBondContact O-N 3.39Š|
| 1312 | R | 30.6 | Very low | 46.2 | Very low | 225 Ų | 225 | 132.5 Ų | 132.5 | 85% | 0.849 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 170.1 | 174.2 | -77.4 | -178.9 | 168.6 | 179.6 | -4.5 | 111 | ||
| 1313 | S | 31.3 | Very low | 43.9 | Very low | 95 Ų | 95 | 133.8 Ų | 133.8 | 66% | 0.664 | 70% | 0.698 | S | S | * | * | trans | 75.9 | 134.4 | -178 | -61.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1314 | E | 34 | Very low | 41.3 | Very low | 175 Ų | 175 | 141.2 Ų | 141.2 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | cis | -157.6 | 156.6 | -7.7 | -129.9 | 146.7 | -111.2 | 0 | 0 | 111.1 | ||||
| 1315 | T | 28.9 | Very low | 38.7 | Very low | 121 Ų | 121 | 145.2 Ų | 145.2 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | trans | -93.4 | 117.1 | 172.8 | 49.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1316 | N | 30.5 | Very low | 36.4 | Very low | 142 Ų | 142 | 146.9 Ų | 146.9 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | 173.5 | 145.4 | 120.8 | -87.9 | -23.8 | 0 | 0 | 0 | 115.4 | |||||
| 1317 | T | 31.5 | Very low | 34.7 | Very low | 123 Ų | 123 | 148.6 Ų | 148.6 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | 43.6 | 109 | 147.5 | 59.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1318 | N | 29.9 | Very low | 33.6 | Very low | 150 Ų | 150 | 145 Ų | 145 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | trans | 5.8 | 133.1 | 135.3 | -53.7 | -11.9 | 0 | 0 | 0 | 119.4 | ||||
| 1319 | Y | 34 | Very low | 33.1 | Very low | 239 Ų | 239 | 144.2 Ų | 144.2 | 94% | 0.937 | 78% | 0.778 | S | S | * | * | -163.3 | 157.5 | 117.3 | -108.7 | -72.7 | 0 | 0 | 0 | 110.8 | |||||
| 1320 | S | 31.8 | Very low | 32.9 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | trans | -113.3 | 136.3 | -170.1 | -47.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1321 | S | 34.3 | Very low | 33 | Very low | 123 Ų | 123 | 140.1 Ų | 140.1 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | -164.6 | 160 | 160.2 | 51.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1322 | N | 28.9 | Very low | 32.7 | Very low | 152 Ų | 152 | 138.9 Ų | 138.9 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | trans | -87.2 | 156.7 | 179.6 | -68.7 | -51.3 | 0 | 0 | 0 | 112.3 | ||||
| 1323 | H | 36.7 | Very low | 32.8 | Very low | 158 Ų | 158 | 135.5 Ų | 135.5 | 73% | 0.731 | 78% | 0.776 | S | S | * | * | -173.4 | 126.3 | 118.4 | -106.5 | -85.5 | 0 | 0 | 0 | 112.7 | |||||
| 1324 | Q | 34.4 | Very low | 32.9 | Very low | 161 Ų | 161 | 142 Ų | 142 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | trans | 34.3 | 142.6 | 130.4 | -72.5 | 169.7 | -4 | 0 | 0 | 121.4 | ||||
| 1325 | S | 31.7 | Very low | 32.7 | Very low | 93 Ų | 93 | 139.4 Ų | 139.4 | 65% | 0.65 | 78% | 0.782 | S | S | * | * | cis | -171.4 | 168.6 | 5.8 | 46.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1326 | I | 32.6 | Very low | 32.8 | Very low | 141 Ų | 141 | 140.2 Ų | 140.2 | 72% | 0.723 | 79% | 0.786 | S | S | * | * | trans | 84.1 | 116.1 | 148.6 | -76.6 | 156.5 | 0 | 0 | 0 | 121.3 | ||||
| 1327 | N | 34.7 | Very low | 32.9 | Very low | 147 Ų | 147 | 139.1 Ų | 139.1 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | 64.1 | 142.4 | 148.4 | -67.1 | 2.4 | 0 | 0 | 0 | 122.4 | ||||
| 1328 | S | 36.8 | Very low | 32.8 | Very low | 96 Ų | 96 | 140.7 Ų | 140.7 | 67% | 0.671 | 79% | 0.794 | S | S | * | * | cis | -166.2 | 135.5 | -9.9 | 47 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1329 | S | 33.1 | Very low | 33.1 | Very low | 118 Ų | 118 | 137.8 Ų | 137.8 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | 30.3 | 137.2 | 147.4 | 59.4 | 0 | 0 | 0 | 0 | 123 | ||||
| 1330 | G | 35.4 | Very low | 32.9 | Very low | 65 Ų | 65 | 132.9 Ų | 132.9 | 67% | 0.67 | 77% | 0.773 | S | S | * | * | cis | 151.8 | 173.6 | -8.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1331 | T | 33.1 | Very low | 33 | Very low | 144 Ų | 144 | 133.6 Ų | 133.6 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | trans | 63.9 | 146.5 | 154.2 | 24.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 1332 | T | 33.3 | Very low | 32.8 | Very low | 132 Ų | 132 | 134.3 Ų | 134.3 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | cis | -135.1 | 172.7 | 16.9 | 42.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1333 | N | 31.9 | Very low | 32.8 | Very low | 155 Ų | 155 | 132.8 Ų | 132.8 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | trans | -135.6 | 158.2 | -174 | -92.6 | -28.6 | 0 | 0 | 0 | 113.7 | ||||
| 1334 | R | 32.8 | Very low | 32.3 | Very low | 232 Ų | 232 | 128.7 Ų | 128.7 | 88% | 0.875 | 76% | 0.763 | S | S | * | * | trans | 165.2 | 143.6 | 138.3 | -91.2 | 160.7 | -179.4 | -166.8 | -0.7 | 110.5 | ||||
| 1335 | T | 30.2 | Very low | 31.9 | Very low | 119 Ų | 119 | 127.2 Ų | 127.2 | 73% | 0.73 | 77% | 0.766 | S | S | * | * | cis | 84.8 | 129.6 | 12.1 | 75.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1336 | V | 32 | Very low | 31.6 | Very low | 138 Ų | 138 | 129.1 Ų | 129.1 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | cis | -170.6 | 157.7 | -17.3 | 89.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1337 | S | 31.8 | Very low | 31.1 | Very low | 120 Ų | 120 | 128.1 Ų | 128.1 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | trans | 175.4 | 171.7 | 153.4 | 36 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1338 | N | 29.7 | Very low | 30.8 | Very low | 155 Ų | 155 | 128.6 Ų | 128.6 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | trans | -140 | -177.1 | -174.4 | -140.8 | 23.7 | 0 | 0 | 0 | 107.7 | ||||
| 1339 | P | 35.6 | Very low | 30.4 | Very low | 90 Ų | 90 | 129.2 Ų | 129.2 | 58% | 0.584 | 78% | 0.781 | S | S | * | * | cis | -141.5 | -170.6 | -6 | 44.9 | -25.3 | 0 | 0 | 0 | 116.5 | ||||
| 1340 | D | 30.9 | Very low | 30.2 | Very low | 136 Ų | 136 | 128.5 Ų | 128.5 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | 73.8 | 131.5 | 141.5 | -68.5 | -10.8 | 0 | 0 | 0 | 128.2 | ||||
| 1341 | N | 32.2 | Very low | 29.8 | Very low | 130 Ų | 130 | 130.3 Ų | 130.3 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | trans | 91.3 | 109 | 133.6 | -82.2 | -39.5 | 0 | 0 | 0 | 126.2 | ||||
| 1342 | N | 31.8 | Very low | 29.4 | Very low | 138 Ų | 138 | 132.5 Ų | 132.5 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | 80.4 | 113.7 | 126.7 | -82 | -21.9 | 0 | 0 | 0 | 126 | |||||
| 1343 | S | 28.3 | Very low | 29.2 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | 83.5 | 134.2 | 126.3 | 75 | 0 | 0 | 0 | 0 | 122 | |||||
| 1344 | G | 26.5 | Very low | 29.3 | Very low | 71 Ų | 71 | 130.7 Ų | 130.7 | 73% | 0.732 | 76% | 0.755 | S | S | * | * | trans | 117.8 | 108.4 | 154.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1345 | T | 24.5 | Very low | 29.1 | Very low | 131 Ų | 131 | 124.9 Ų | 124.9 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | trans | 64.8 | 93.5 | 149.6 | -44.6 | 0 | 0 | 0 | 0 | 120 | V1347 | T1345-V1347 PolarHBondContact O-N 2.98Š| ||
| 1346 | T | 25.6 | Very low | 29.2 | Very low | 133 Ų | 133 | 123.7 Ų | 123.7 | 82% | 0.816 | 74% | 0.736 | S | S | * | * | trans | 19 | 91.4 | 142.9 | 57.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1347 | V | 23.6 | Very low | 29.1 | Very low | 120 Ų | 120 | 126.3 Ų | 126.3 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | trans | -146.4 | 135 | 147.2 | -177.7 | 0 | 0 | 0 | 0 | 109 | T1345 | T1345-V1347 PolarHBondContact O-N 2.98Š| ||
| 1348 | N | 27.8 | Very low | 29.1 | Very low | 156 Ų | 156 | 124.3 Ų | 124.3 | 83% | 0.834 | 74% | 0.737 | S | S | * | * | trans | -92.8 | 96.1 | 169.3 | -83 | -1.6 | 0 | 0 | 0 | 110.7 | T1350 | N1348-T1350 PolarHBondContact O-N 2.9Å; N1348-T1350 PolarHBondContact O-OG1 3.28Å | ||
| 1349 | S | 29.2 | Very low | 29.2 | Very low | 110 Ų | 110 | 125.9 Ų | 125.9 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | trans | -54.8 | 124.7 | 166 | -54.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1350 | T | 28.3 | Very low | 28.8 | Very low | 102 Ų | 102 | 126.9 Ų | 126.9 | 63% | 0.626 | 75% | 0.748 | S | S | * | * | cis | 54.5 | 125.8 | 15.7 | 60.4 | 0 | 0 | 0 | 0 | 113.9 | N1348 | N1348-T1350 PolarHBondContact O-N 2.9Å; N1348-T1350 PolarHBondContact O-OG1 3.28Å | ||
| 1351 | S | 26.4 | Very low | 28.7 | Very low | 103 Ų | 103 | 124.2 Ų | 124.2 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | -162.4 | 128.8 | 97.7 | 55.1 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1352 | Y | 25.6 | Very low | 28.4 | Very low | 191 Ų | 191 | 123.7 Ų | 123.7 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | trans | 45.2 | 136.6 | 134.3 | -58.7 | -72.3 | 0 | 0 | 0 | 121.5 | ||||
| 1353 | S | 29.3 | Very low | 28.3 | Very low | 97 Ų | 97 | 124.4 Ų | 124.4 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | cis | -138.4 | 170.1 | 30.9 | -128.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1354 | H | 32 | Very low | 28.3 | Very low | 152 Ų | 152 | 128.6 Ų | 128.6 | 70% | 0.704 | 77% | 0.769 | S | S | * | * | cis | -147.9 | -143 | 16.9 | -155.8 | 10.3 | 0 | 0 | 0 | 115 | ||||
| 1355 | N | 29.5 | Very low | 28.3 | Very low | 110 Ų | 110 | 131.8 Ų | 131.8 | 59% | 0.588 | 77% | 0.769 | S | S | * | * | trans | -116.2 | 173.3 | -161.7 | -72.6 | 7.6 | 0 | 0 | 0 | 111.5 | ||||
| 1356 | P | 33.1 | Very low | 28.6 | Very low | 93 Ų | 93 | 130.8 Ų | 130.8 | 60% | 0.604 | 76% | 0.762 | S | S | * | * | cis | -144.9 | 176.6 | -35.4 | 38.9 | -21.3 | 0 | 0 | 0 | 116.5 | ||||
| 1357 | H | 28.7 | Very low | 28.9 | Very low | 194 Ų | 194 | 128.2 Ų | 128.2 | 90% | 0.898 | 75% | 0.75 | S | S | * | * | trans | 71 | 133.5 | 154.7 | -56 | -50.5 | 0 | 0 | 0 | 122.4 | ||||
| 1358 | G | 31.6 | Very low | 29.2 | Very low | 78 Ų | 78 | 130.8 Ų | 130.8 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | 160.3 | 114.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1359 | H | 32.8 | Very low | 29.3 | Very low | 188 Ų | 188 | 128.9 Ų | 128.9 | 87% | 0.87 | 75% | 0.751 | S | S | * | * | trans | -88.4 | 169.8 | 172.7 | -72.7 | -83.5 | 0 | 0 | 0 | 112.2 | ||||
| 1360 | S | 27.1 | Very low | 29.3 | Very low | 110 Ų | 110 | 130.3 Ų | 130.3 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | cis | -171.5 | 130.5 | -29.9 | -86.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1361 | G | 29.7 | Very low | 30.2 | Very low | 81 Ų | 81 | 130.7 Ų | 130.7 | 84% | 0.835 | 75% | 0.754 | S | S | * | * | trans | -178.8 | 137.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | N1363 | G1361-N1363 PolarHBondContact O-N 2.9Š| ||
| 1362 | S | 25.9 | Very low | 30.6 | Very low | 118 Ų | 118 | 131.9 Ų | 131.9 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | trans | -95 | 100.4 | -161.3 | 56.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1363 | N | 28.2 | Very low | 30.9 | Very low | 153 Ų | 153 | 127.6 Ų | 127.6 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | -144.2 | 124.8 | 156.2 | -87.7 | -51.9 | 0 | 0 | 0 | 107.4 | G1361 L1365 | G1361-N1363 PolarHBondContact O-N 2.9Å; N1363-L1365 PolarHBondContact O-N 3.39Å | ||
| 1364 | Q | 28.7 | Very low | 30.8 | Very low | 209 Ų | 209 | 130 Ų | 130 | 98% | 0.977 | 76% | 0.762 | S | S | * | * | trans | -89.1 | 94.2 | -178.5 | -71.2 | -167.7 | -1.6 | 0 | 0 | 111.1 | ||||
| 1365 | L | 26.5 | Very low | 30.6 | Very low | 138 Ų | 138 | 128.6 Ų | 128.6 | 72% | 0.723 | 76% | 0.764 | S | S | * | * | trans | -131.4 | 147.8 | 178.6 | -129.7 | 85.4 | 0 | 0 | 0 | 109.4 | N1363 | N1363-L1365 PolarHBondContact O-N 3.39Š| ||
| 1366 | T | 31.4 | Very low | 30.5 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | trans | 37 | 144.3 | 145 | 56.4 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1367 | S | 32.3 | Very low | 30.3 | Very low | 79 Ų | 79 | 130.7 Ų | 130.7 | 55% | 0.552 | 78% | 0.778 | S | S | * | * | trans | 68 | 137.9 | 137.7 | 59.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1368 | F | 28.7 | Very low | 30.2 | Very low | 175 Ų | 175 | 128.2 Ų | 128.2 | 77% | 0.768 | 78% | 0.777 | S | S | * | * | 171.7 | 146.8 | 97.3 | -95.8 | -66.4 | 0 | 0 | 0 | 114.6 | |||||
| 1369 | S | 29.3 | Very low | 30.1 | Very low | 116 Ų | 116 | 128.2 Ų | 128.2 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | -176.3 | 109.3 | 141.9 | 53.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1370 | N | 30.2 | Very low | 30 | Very low | 139 Ų | 139 | 123.5 Ų | 123.5 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | cis | 107.2 | 151.1 | 41.4 | -91.3 | 4 | 0 | 0 | 0 | 113.6 | ||||
| 1371 | P | 46.5 | Very low | 30.2 | Very low | 110 Ų | 110 | 121.5 Ų | 121.5 | 71% | 0.714 | 78% | 0.776 | S | S | * | * | trans | -121.6 | -159.7 | -136.9 | 39.4 | -22.6 | 0 | 0 | 0 | 114.2 | ||||
| 1372 | P | 35.8 | Very low | 30.2 | Very low | 129 Ų | 129 | 125.5 Ų | 125.5 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | -144.5 | -156.2 | 89.1 | 40.5 | -22.1 | 0 | 0 | 0 | 115 | |||||
| 1373 | S | 31.1 | Very low | 30.5 | Very low | 100 Ų | 100 | 125.7 Ų | 125.7 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | trans | -127.3 | 179.2 | -151.6 | 59.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1374 | N | 27 | Very low | 30.6 | Very low | 148 Ų | 148 | 125.8 Ų | 125.8 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | trans | 99.4 | 157.8 | 155.3 | -70 | -10.3 | 0 | 0 | 0 | 121.5 | ||||
| 1375 | V | 29.5 | Very low | 30.7 | Very low | 122 Ų | 122 | 121.9 Ų | 121.9 | 74% | 0.739 | 76% | 0.764 | S | S | * | * | trans | 92.8 | 85.3 | 161.5 | -163.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1376 | N | 27 | Very low | 30.8 | Very low | 143 Ų | 143 | 119.6 Ų | 119.6 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | 69.1 | 149.3 | 127.6 | -59.7 | -3.4 | 0 | 0 | 0 | 125.3 | |||||
| 1377 | S | 27.8 | Very low | 30.7 | Very low | 104 Ų | 104 | 120.4 Ų | 120.4 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | 82.4 | 112.2 | 139.9 | 52.2 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1378 | T | 27.5 | Very low | 30.6 | Very low | 143 Ų | 143 | 121 Ų | 121 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | trans | 48.4 | 129.7 | 132.9 | 58.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1379 | G | 30.3 | Very low | 30.7 | Very low | 78 Ų | 78 | 118.3 Ų | 118.3 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | cis | 162.8 | 166.7 | -6.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1380 | G | 29.9 | Very low | 30.6 | Very low | 89 Ų | 89 | 118.6 Ų | 118.6 | 92% | 0.918 | 77% | 0.774 | S | S | * | * | trans | 85 | 126.8 | 161.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1381 | G | 30.1 | Very low | 30.6 | Very low | 67 Ų | 67 | 115.8 Ų | 115.8 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | cis | 166.5 | 167.2 | -12.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1382 | I | 31.5 | Very low | 29.8 | Very low | 165 Ų | 165 | 114.3 Ų | 114.3 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | 73.7 | 135.8 | 155 | -58.9 | 166.6 | 0 | 0 | 0 | 117.2 | ||||
| 1383 | T | 31.1 | Very low | 29.4 | Very low | 123 Ų | 123 | 115.3 Ų | 115.3 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | cis | -162.9 | 146.7 | -28.6 | 33.9 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1384 | N | 30.5 | Very low | 29.4 | Very low | 154 Ų | 154 | 118 Ų | 118 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | cis | 94.9 | 77.5 | 9.1 | -158.9 | 32.6 | 0 | 0 | 0 | 118.7 | ||||
| 1385 | T | 29.9 | Very low | 29.4 | Very low | 127 Ų | 127 | 116.9 Ų | 116.9 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | -143.5 | 116.3 | 158.6 | 32.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1386 | S | 29.5 | Very low | 29.2 | Very low | 91 Ų | 91 | 116 Ų | 116 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | 71 | 147.4 | 69 | 86.8 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1387 | T | 30.1 | Very low | 29.3 | Very low | 126 Ų | 126 | 118.5 Ų | 118.5 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | cis | -174.4 | 160.8 | 18.5 | 2.2 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 1388 | S | 28.8 | Very low | 29.2 | Very low | 92 Ų | 92 | 119.6 Ų | 119.6 | 64% | 0.643 | 79% | 0.787 | S | S | * | * | cis | 166 | 174 | -7.1 | 50.1 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1389 | S | 31.5 | Very low | 29.3 | Very low | 118 Ų | 118 | 119.8 Ų | 119.8 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | 76.5 | 161.5 | 166.1 | 81.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1390 | S | 27.5 | Very low | 29.1 | Very low | 123 Ų | 123 | 120.9 Ų | 120.9 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | 175.6 | 145.4 | -53.7 | 178.3 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 1391 | G | 30.2 | Very low | 29 | Very low | 79 Ų | 79 | 124.1 Ų | 124.1 | 81% | 0.814 | 78% | 0.778 | S | S | * | * | trans | 118.6 | 146.1 | 152.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1392 | G | 29.5 | Very low | 28.8 | Very low | 79 Ų | 79 | 125.2 Ų | 125.2 | 81% | 0.814 | 78% | 0.775 | S | S | * | * | trans | 124.6 | 86.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1393 | N | 27 | Very low | 28.5 | Very low | 150 Ų | 150 | 124.9 Ų | 124.9 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | trans | -82.6 | 148.8 | 164.2 | -70.9 | -21 | 0 | 0 | 0 | 110.5 | ||||
| 1394 | N | 30.8 | Very low | 28.4 | Very low | 158 Ų | 158 | 124.8 Ų | 124.8 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | 179.6 | 154.1 | 113.5 | -90.2 | -15.5 | 0 | 0 | 0 | 113.6 | |||||
| 1395 | T | 26.5 | Very low | 28.2 | Very low | 123 Ų | 123 | 123 Ų | 123 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | -73.6 | 175.6 | 163.3 | 53.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1396 | T | 26.3 | Very low | 28 | Very low | 103 Ų | 103 | 121.6 Ų | 121.6 | 63% | 0.632 | 78% | 0.775 | S | S | * | * | cis | -175.2 | 175.2 | 41 | -29.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1397 | F | 28.9 | Very low | 27.7 | Very low | 196 Ų | 196 | 122.6 Ų | 122.6 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | 85.2 | 161.9 | 153.3 | -79 | -61.9 | 0 | 0 | 0 | 121.5 | ||||
| 1398 | V | 26.1 | Very low | 27.5 | Very low | 127 Ų | 127 | 122.4 Ų | 122.4 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | -145.1 | 134 | -157.7 | 168.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1399 | T | 29.1 | Very low | 27.4 | Very low | 147 Ų | 147 | 122.9 Ų | 122.9 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | -155.5 | 161.3 | 147.3 | 6.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1400 | S | 25.5 | Very low | 27.3 | Very low | 101 Ų | 101 | 124 Ų | 124 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | trans | -118.2 | 164.5 | -177.3 | 60.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1401 | I | 28 | Very low | 27.4 | Very low | 158 Ų | 158 | 127.1 Ų | 127.1 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -175.6 | 136.8 | 132.7 | -96.6 | 154.4 | 0 | 0 | 0 | 113.4 | ||||
| 1402 | S | 26.9 | Very low | 27.3 | Very low | 90 Ų | 90 | 129.9 Ų | 129.9 | 63% | 0.629 | 79% | 0.789 | S | S | * | * | trans | 25.1 | 124.6 | 162.2 | 70.2 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 1403 | N | 26 | Very low | 27.4 | Very low | 157 Ų | 157 | 131.1 Ų | 131.1 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | 54.9 | 116.5 | 122.6 | -55.4 | -5.3 | 0 | 0 | 0 | 122.6 | |||||
| 1404 | S | 28.7 | Very low | 27.3 | Very low | 122 Ų | 122 | 129.9 Ų | 129.9 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | -165.2 | 157.4 | 99.8 | 37.4 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1405 | S | 26 | Very low | 27.2 | Very low | 115 Ų | 115 | 129.8 Ų | 129.8 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -57.6 | 154.7 | 179.9 | 49.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 1406 | S | 25.7 | Very low | 27.2 | Very low | 99 Ų | 99 | 130.5 Ų | 130.5 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | cis | -161.4 | 166.7 | 32.9 | 55.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1407 | S | 23.8 | Very low | 27.1 | Very low | 111 Ų | 111 | 130.5 Ų | 130.5 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | 49.7 | 85 | 152.7 | 60.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1408 | S | 25.9 | Very low | 27 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | -154.9 | 165.5 | 157.3 | 57.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 1409 | A | 26.8 | Very low | 26.8 | Very low | 101 Ų | 101 | 126.3 Ų | 126.3 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 141 | -166.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 1410 | T | 28.1 | Very low | 26.6 | Very low | 143 Ų | 143 | 125.5 Ų | 125.5 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 120.5 | 170.2 | 48.4 | 0 | 0 | 0 | 0 | 111.4 | ||
| 1411 | H | 30.2 | Very low | 26.5 | Very low | 187 Ų | 187 | 130.7 Ų | 130.7 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 129.2 | 169.5 | -138.2 | -77.4 | 0 | 0 | 0 | 109.4 | ||
| 1412 | E | 27.9 | Very low | 26.3 | Very low | 138 Ų | 138 | 134.3 Ų | 134.3 | 65% | 0.645 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 145.5 | 169.5 | -76.2 | -178.5 | 114.1 | 0 | 0 | 110.7 | ||
| 1413 | P | 30.7 | Very low | 26.1 | Very low | 104 Ų | 104 | 135.9 Ų | 135.9 | 68% | 0.675 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 159.9 | 169.6 | 32.5 | -35.2 | 0 | 0 | 0 | 110.6 | H1415 | P1413-H1415 PolarHBondContact O-N 2.88Š|
| 1414 | P | 26.4 | Very low | 26 | Very low | 124 Ų | 124 | 132.3 Ų | 132.3 | 81% | 0.805 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 124 | 178.4 | 26.5 | -34.4 | 0 | 0 | 0 | 110.7 | T1416 | P1414-T1416 PolarHBondContact O-N 3.48Š|
| 1415 | H | 28.8 | Very low | 25.8 | Very low | 157 Ų | 157 | 134.3 Ų | 134.3 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -62.7 | 107.3 | 174 | -65.5 | -70 | 0 | 0 | 0 | 110.4 | P1413 S1417 | P1413-H1415 PolarHBondContact O-N 2.88Å; H1415-S1417 PolarHBondContact O-N 2.88Å | ||
| 1416 | T | 25.8 | Very low | 25.6 | Very low | 137 Ų | 137 | 135.4 Ų | 135.4 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | trans | -62.3 | 100.6 | 160.3 | 9.3 | 0 | 0 | 0 | 0 | 107.9 | P1414 V1418 | P1414-T1416 PolarHBondContact O-N 3.48Å; T1416-V1418 PolarHBondContact O-N 3.08Å | ||
| 1417 | S | 25 | Very low | 25.6 | Very low | 103 Ų | 103 | 139.4 Ų | 139.4 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | -69.3 | 94 | -176.6 | 57.7 | 0 | 0 | 0 | 0 | 110.8 | H1415 S1419 | H1415-S1417 PolarHBondContact O-N 2.88Å; S1417-S1419 VanDerWaalsContact C-N 3.31Å; S1417-S1419 PolarHBondContact O-N 3.33Å | ||
| 1418 | V | 25.2 | Very low | 25.6 | Very low | 133 Ų | 133 | 139.6 Ų | 139.6 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | trans | -61.4 | 100.3 | 160.3 | 178.2 | 0 | 0 | 0 | 0 | 106.5 | T1416 V1420 | T1416-V1418 PolarHBondContact O-N 3.08Å; V1418-V1420 PolarHBondContact O-N 2.89Å | ||
| 1419 | S | 22.4 | Very low | 25.6 | Very low | 102 Ų | 102 | 138.2 Ų | 138.2 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | trans | -77.4 | 76.2 | -172.2 | -166.7 | 0 | 0 | 0 | 0 | 109.9 | S1417 R1421 | S1417-S1419 VanDerWaalsContact C-N 3.31Å; S1417-S1419 PolarHBondContact O-N 3.33Å; S1419-R1421 VanDerWaalsContact C-N 3.26Å; S1419-R1421 PolarHBondContact O-N 3.37Å | ||
| 1420 | V | 25.2 | Very low | 25.5 | Very low | 130 Ų | 130 | 139.3 Ų | 139.3 | 79% | 0.788 | 76% | 0.763 | S | S | * | * | trans | -59.2 | 99.8 | 158.2 | 179.5 | 0 | 0 | 0 | 0 | 105.6 | V1418 R1422 | V1418-V1420 PolarHBondContact O-N 2.89Å; V1420-R1422 PolarHBondContact O-N 3.07Å | ||
| 1421 | R | 22.2 | Very low | 25.5 | Very low | 211 Ų | 211 | 139.7 Ų | 139.7 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | trans | -52.8 | 113.4 | 177 | -88.8 | 178.1 | 165.8 | 167.2 | -4.2 | 107.7 | S1419 T1423 | S1419-R1421 VanDerWaalsContact C-N 3.26Å; S1419-R1421 PolarHBondContact O-N 3.37Å; R1421-T1423 PolarHBondContact O-N 3.35Å | ||
| 1422 | R | 24.1 | Very low | 25.4 | Very low | 234 Ų | 234 | 138.3 Ų | 138.3 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | trans | -55.2 | 100.1 | 137.1 | -82.2 | -175.3 | 172.3 | 179.2 | -3.6 | 105.7 | V1420 S1424 | V1420-R1422 PolarHBondContact O-N 3.07Å; R1422-S1424 PolarHBondContact O-N 2.81Å | ||
| 1423 | T | 23.1 | Very low | 25.2 | Very low | 122 Ų | 122 | 138.7 Ų | 138.7 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | -59.8 | 91.8 | 149.4 | 40.4 | 0 | 0 | 0 | 0 | 105.7 | R1421 I1425 | R1421-T1423 PolarHBondContact O-N 3.35Å; T1423-I1425 PolarHBondContact O-N 2.93Å | ||
| 1424 | S | 23.8 | Very low | 25.1 | Very low | 83 Ų | 83 | 137.6 Ų | 137.6 | 58% | 0.58 | 77% | 0.773 | S | S | * | * | trans | -47.5 | 134.1 | 151.6 | 40.8 | 0 | 0 | 0 | 0 | 107 | R1422 Q1426 | R1422-S1424 PolarHBondContact O-N 2.81Å; S1424-Q1426 VanDerWaalsContact C-N 3.25Å; S1424-Q1426 PolarHBondContact O-N 2.72Å | ||
| 1425 | I | 23.9 | Very low | 24.9 | Very low | 164 Ų | 164 | 141.3 Ų | 141.3 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | trans | -59.1 | 104.6 | 157.7 | -66.8 | 176.4 | 0 | 0 | 0 | 104.4 | T1423 Q1427 | T1423-I1425 PolarHBondContact O-N 2.93Å; I1425-Q1427 PolarHBondContact O-N 3.47Å | ||
| 1426 | Q | 23.4 | Very low | 24.8 | Very low | 138 Ų | 138 | 141.9 Ų | 141.9 | 65% | 0.645 | 78% | 0.783 | S | S | * | * | trans | -64.6 | 112 | -179.1 | -77.2 | -175.4 | -20.6 | 0 | 0 | 107.9 | S1424 | S1424-Q1426 VanDerWaalsContact C-N 3.25Å; S1424-Q1426 PolarHBondContact O-N 2.72Å | ||
| 1427 | Q | 24.5 | Very low | 24.8 | Very low | 182 Ų | 182 | 140.7 Ų | 140.7 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | trans | -51.4 | 128.9 | 138.3 | -69.2 | -177.1 | -11.1 | 0 | 0 | 106.2 | I1425 | I1425-Q1427 PolarHBondContact O-N 3.47Š| ||
| 1428 | P | 25.1 | Very low | 24.9 | Very low | 115 Ų | 115 | 141.2 Ų | 141.2 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | trans | -61.3 | 145.2 | -159.1 | 21.6 | -33.6 | 0 | 0 | 0 | 112.3 | S1430 | P1428-S1430 PolarHBondContact O-N 3.4Š| ||
| 1429 | P | 24.4 | Very low | 24.9 | Very low | 95 Ų | 95 | 142 Ų | 142 | 62% | 0.617 | 78% | 0.784 | S | S | * | * | trans | -69.3 | 115.9 | -168 | 27 | -35.2 | 0 | 0 | 0 | 112.3 | N1431 | P1429-N1431 PolarHBondContact O-N 3.35Š| ||
| 1430 | S | 25.7 | Very low | 25.2 | Very low | 123 Ų | 123 | 143.1 Ų | 143.1 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -74.7 | 66 | 167.5 | 43.7 | 0 | 0 | 0 | 0 | 111.1 | P1428 | P1428-S1430 PolarHBondContact O-N 3.4Š| ||
| 1431 | N | 28.6 | Very low | 25.2 | Very low | 151 Ų | 151 | 143 Ų | 143 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | trans | -76.2 | 157.2 | -178.9 | -148.9 | 6 | 0 | 0 | 0 | 112.2 | P1429 | P1429-N1431 PolarHBondContact O-N 3.35Š| ||
| 1432 | Q | 26.1 | Very low | 25.6 | Very low | 159 Ų | 159 | 139.4 Ų | 139.4 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | trans | -87.9 | 161.5 | -163.7 | -59.5 | 178.7 | -3.8 | 0 | 0 | 114.8 | ||||
| 1433 | T | 25.2 | Very low | 26 | Very low | 146 Ų | 146 | 134.4 Ų | 134.4 | 90% | 0.896 | 79% | 0.788 | S | S | * | * | trans | 73.4 | 134.8 | 165.2 | 72.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 1434 | G | 27.6 | Very low | 26.6 | Very low | 80 Ų | 80 | 134.1 Ų | 134.1 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | 165.1 | 92.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1435 | K | 23.2 | Very low | 26.8 | Very low | 203 Ų | 203 | 136 Ų | 136 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | -76.4 | 142.8 | 170.8 | -63.5 | 176.5 | -178.8 | 176.1 | 0 | 109.3 | ||||
| 1436 | I | 27 | Very low | 27.1 | Very low | 168 Ų | 168 | 131 Ų | 131 | 86% | 0.862 | 79% | 0.791 | S | S | * | * | 178.2 | 147.3 | 125.8 | -92.7 | 154.6 | 0 | 0 | 0 | 109.7 | |||||
| 1437 | S | 24.1 | Very low | 27.4 | Very low | 112 Ų | 112 | 129.9 Ų | 129.9 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | trans | -85.2 | 149.3 | -177.5 | -43.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1438 | S | 27.7 | Very low | 27.8 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | -175.1 | 142.4 | 120.1 | 56.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1439 | N | 26.1 | Very low | 28.1 | Very low | 150 Ų | 150 | 126.8 Ų | 126.8 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | trans | -56.3 | 149.5 | 174 | -47.9 | -31.8 | 0 | 0 | 0 | 113.4 | ||||
| 1440 | S | 28.7 | Very low | 28.3 | Very low | 125 Ų | 125 | 130.5 Ų | 130.5 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | -166.1 | 121 | 123 | -82.5 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1441 | T | 25.2 | Very low | 28.5 | Very low | 128 Ų | 128 | 131 Ų | 131 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -61.2 | 149.1 | 174.5 | -32.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 1442 | V | 30.9 | Very low | 28.4 | Very low | 134 Ų | 134 | 134.8 Ų | 134.8 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | -178.6 | 125.4 | 117.8 | 151.1 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 1443 | T | 32.2 | Very low | 28.5 | Very low | 129 Ų | 129 | 132.2 Ų | 132.2 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | -118 | 156.7 | 167 | 54.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1444 | P | 34.4 | Very low | 28.9 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | -148.8 | 177.5 | 102.2 | 36.1 | -18.4 | 0 | 0 | 0 | 112.4 | |||||
| 1445 | S | 28.8 | Very low | 28.9 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | cis | -165 | 163.8 | -21.2 | 47.6 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1446 | G | 31.2 | Very low | 29.1 | Very low | 59 Ų | 59 | 132.4 Ų | 132.4 | 61% | 0.608 | 78% | 0.776 | S | S | * | * | cis | -153.5 | 154 | -5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1447 | S | 29.1 | Very low | 29.2 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | 76 | 114.5 | 90.8 | 68.1 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1448 | V | 32.9 | Very low | 29.3 | Very low | 140 Ų | 140 | 131.2 Ų | 131.2 | 85% | 0.848 | 77% | 0.772 | S | S | * | * | -166.8 | 151.7 | 84.1 | 143.4 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 1449 | P | 31 | Very low | 29.2 | Very low | 93 Ų | 93 | 132.4 Ų | 132.4 | 60% | 0.604 | 77% | 0.769 | S | S | * | * | -133.4 | -160.2 | -117.3 | 46.4 | -35.4 | 0 | 0 | 0 | 117.2 | |||||
| 1450 | E | 28.6 | Very low | 29.3 | Very low | 172 Ų | 172 | 131.6 Ų | 131.6 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 76.7 | 144.2 | 154.3 | -72.4 | 164.2 | -168.9 | 0 | 0 | 118.7 | ||||
| 1451 | T | 30.2 | Very low | 29.2 | Very low | 133 Ų | 133 | 130.4 Ų | 130.4 | 82% | 0.816 | 76% | 0.761 | S | S | * | * | cis | -149.7 | 159.5 | -2.9 | -9.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1452 | R | 26.9 | Very low | 29.3 | Very low | 231 Ų | 231 | 131.6 Ų | 131.6 | 87% | 0.872 | 76% | 0.761 | S | S | * | * | trans | -59.8 | 178 | 159.6 | -72.6 | 169.2 | 160.4 | 170.3 | -5.5 | 112.8 | ||||
| 1453 | S | 26.6 | Very low | 29 | Very low | 105 Ų | 105 | 131 Ų | 131 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | cis | -161.6 | 161.3 | 20.4 | -13.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1454 | R | 33.7 | Very low | 28.8 | Very low | 187 Ų | 187 | 129.3 Ų | 129.3 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | trans | -70.1 | 158.3 | 155.5 | -173.7 | -173.1 | -170.6 | -129.7 | 4 | 111.4 | ||||
| 1455 | P | 29.3 | Very low | 28.6 | Very low | 122 Ų | 122 | 129.3 Ų | 129.3 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | trans | -135.9 | 170 | 131 | 37.5 | -27 | 0 | 0 | 0 | 114.4 | ||||
| 1456 | Q | 26.8 | Very low | 28.5 | Very low | 125 Ų | 125 | 132 Ų | 132 | 58% | 0.584 | 75% | 0.754 | S | S | * | * | trans | -115.3 | 150.6 | 162.7 | -68.1 | 179.2 | -109.1 | 0 | 0 | 108.6 | ||||
| 1457 | T | 28.2 | Very low | 28.3 | Very low | 125 Ų | 125 | 134 Ų | 134 | 77% | 0.767 | 76% | 0.758 | S | S | * | * | trans | 40.8 | 123.2 | 148.9 | 54 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1458 | V | 26.5 | Very low | 28.2 | Very low | 130 Ų | 130 | 133.7 Ų | 133.7 | 79% | 0.788 | 76% | 0.756 | S | S | * | * | -173.9 | 151 | 114 | 143.5 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 1459 | N | 25.3 | Very low | 27.8 | Very low | 139 Ų | 139 | 136.7 Ų | 136.7 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | trans | -16.5 | 146.3 | 166.9 | -47.3 | -14.8 | 0 | 0 | 0 | 116.7 | ||||
| 1460 | T | 29.4 | Very low | 27.6 | Very low | 134 Ų | 134 | 138.6 Ų | 138.6 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | -166 | 153.8 | 75.4 | -62.9 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1461 | S | 25.3 | Very low | 27.5 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | trans | -78.4 | 155.8 | 177.9 | 53 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1462 | I | 27.2 | Very low | 27.7 | Very low | 154 Ų | 154 | 136.5 Ų | 136.5 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | -175.2 | 132.5 | 126.4 | -96.6 | 154 | 0 | 0 | 0 | 112.9 | |||||
| 1463 | T | 26.3 | Very low | 27.6 | Very low | 122 Ų | 122 | 131.2 Ų | 131.2 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | trans | 11.4 | 134 | 164.7 | 63.6 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 1464 | A | 27.6 | Very low | 27.7 | Very low | 93 Ų | 93 | 129.7 Ų | 129.7 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | 71.5 | 157 | 130.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1465 | V | 30.3 | Very low | 27.3 | Very low | 117 Ų | 117 | 130.1 Ų | 130.1 | 71% | 0.709 | 78% | 0.776 | S | S | * | * | cis | -140.2 | 125 | 28.8 | 163.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1466 | E | 27.2 | Very low | 27.5 | Very low | 179 Ų | 179 | 130.1 Ų | 130.1 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | trans | 53.4 | 152 | 140.7 | -68.4 | 168.9 | -169.8 | 0 | 0 | 123 | ||||
| 1467 | S | 26.9 | Very low | 27.5 | Very low | 99 Ų | 99 | 130.3 Ų | 130.3 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | cis | -157.1 | 166 | -6.3 | 43.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1468 | S | 26.9 | Very low | 27.5 | Very low | 109 Ų | 109 | 127.2 Ų | 127.2 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | 44.9 | 112.9 | 154.2 | -56.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1469 | K | 23.9 | Very low | 27.4 | Very low | 203 Ų | 203 | 126.6 Ų | 126.6 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | 50.1 | 111.9 | 61.2 | -66 | -174.6 | 174.1 | 178.2 | 0 | 115.7 | |||||
| 1470 | C | 25.6 | Very low | 27.4 | Very low | 132 Ų | 132 | 126.3 Ų | 126.3 | 89% | 0.892 | 79% | 0.789 | S | S | * | * | -162.7 | 126.4 | 128.3 | -109.1 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1471 | N | 27.4 | Very low | 27.2 | Very low | 154 Ų | 154 | 125.1 Ų | 125.1 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | -85.8 | 177 | 148.5 | -88.9 | -11.6 | 0 | 0 | 0 | 107.6 | ||||
| 1472 | P | 34.3 | Very low | 27.2 | Very low | 107 Ų | 107 | 127.8 Ų | 127.8 | 70% | 0.695 | 79% | 0.791 | S | S | * | * | cis | -136.1 | -169.2 | 2 | 36.5 | -15.7 | 0 | 0 | 0 | 115.1 | ||||
| 1473 | S | 24.9 | Very low | 27.1 | Very low | 121 Ų | 121 | 125.4 Ų | 125.4 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | 74.1 | 152.8 | 141.5 | 65.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1474 | G | 29.2 | Very low | 27 | Very low | 72 Ų | 72 | 124.3 Ų | 124.3 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | trans | 104.8 | 70.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1475 | Q | 25.4 | Very low | 26.9 | Very low | 196 Ų | 196 | 126 Ų | 126 | 92% | 0.916 | 79% | 0.786 | S | S | * | * | 62.5 | 143.8 | 86.2 | -93.4 | -165.9 | -18.5 | 0 | 0 | 117 | |||||
| 1476 | P | 32.3 | Very low | 26.7 | Very low | 122 Ų | 122 | 126.9 Ų | 126.9 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | trans | -114 | 144.5 | -160.3 | 40 | -29.6 | 0 | 0 | 0 | 116.5 | ||||
| 1477 | S | 27.1 | Very low | 26.7 | Very low | 129 Ų | 129 | 122.7 Ų | 122.7 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | trans | -170 | 153.6 | 160.6 | 51.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1478 | G | 27.4 | Very low | 26.7 | Very low | 61 Ų | 61 | 124.7 Ų | 124.7 | 63% | 0.629 | 80% | 0.796 | S | S | * | * | cis | 161.3 | 156.1 | -3.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1479 | S | 25.6 | Very low | 26.7 | Very low | 117 Ų | 117 | 125.3 Ų | 125.3 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | 56.7 | 115.7 | 169.6 | 45.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1480 | V | 24.9 | Very low | 26.8 | Very low | 132 Ų | 132 | 122.9 Ų | 122.9 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | 89.9 | 139.7 | 60.5 | 163.9 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1481 | S | 24.7 | Very low | 26.9 | Very low | 110 Ų | 110 | 121.1 Ų | 121.1 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | 67.5 | 158.9 | 165.8 | 62.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1482 | L | 25.1 | Very low | 26.8 | Very low | 154 Ų | 154 | 118.4 Ų | 118.4 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | cis | -173.4 | 150.1 | -36.9 | -162.4 | 83.5 | 0 | 0 | 0 | 107.1 | ||||
| 1483 | S | 25.7 | Very low | 26.4 | Very low | 104 Ų | 104 | 118.5 Ų | 118.5 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | 65.1 | 167.9 | 169.5 | 6.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1484 | S | 25.1 | Very low | 26.5 | Very low | 100 Ų | 100 | 117.3 Ų | 117.3 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | cis | -161.6 | 137.1 | -9.2 | 43.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 1485 | V | 25.2 | Very low | 26.4 | Very low | 128 Ų | 128 | 120.7 Ų | 120.7 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | 45.4 | 139 | 129.5 | -165.4 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 1486 | T | 25.9 | Very low | 26.5 | Very low | 136 Ų | 136 | 117.5 Ų | 117.5 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | trans | 86.6 | 150.8 | 154.6 | 29 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 1487 | A | 26.6 | Very low | 26.5 | Very low | 90 Ų | 90 | 119.2 Ų | 119.2 | 74% | 0.744 | 77% | 0.766 | S | S | * | * | trans | 66.9 | 122.5 | 168 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1488 | V | 26.5 | Very low | 26.7 | Very low | 142 Ų | 142 | 116.9 Ų | 116.9 | 86% | 0.861 | 75% | 0.75 | S | S | * | * | cis | 84.7 | 91 | 26.5 | -171.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1489 | S | 29 | Very low | 26.8 | Very low | 121 Ų | 121 | 120.3 Ų | 120.3 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | trans | 174.8 | 168.1 | 143.2 | 53.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1490 | N | 25.5 | Very low | 27.1 | Very low | 152 Ų | 152 | 121.4 Ų | 121.4 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | -163.3 | 178.2 | -54.3 | -159.3 | -4.3 | 0 | 0 | 0 | 107.7 | |||||
| 1491 | S | 26.7 | Very low | 27.3 | Very low | 95 Ų | 95 | 120 Ų | 120 | 66% | 0.664 | 75% | 0.747 | S | S | * | * | trans | 67.4 | 114.4 | 155.2 | 57.8 | 0 | 0 | 0 | 0 | 123 | ||||
| 1492 | S | 25.5 | Very low | 27.8 | Very low | 98 Ų | 98 | 120 Ų | 120 | 69% | 0.685 | 74% | 0.744 | S | S | * | * | 82.9 | 111.8 | 120 | 68.7 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 1493 | S | 25.8 | Very low | 27.9 | Very low | 108 Ų | 108 | 117.3 Ų | 117.3 | 76% | 0.755 | 74% | 0.738 | S | S | * | * | 63.2 | 130.2 | 120.2 | -45 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 1494 | S | 27.2 | Very low | 28 | Very low | 97 Ų | 97 | 118.5 Ų | 118.5 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | 174.9 | 149.4 | 72.5 | -60 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1495 | N | 27.6 | Very low | 28.4 | Very low | 142 Ų | 142 | 119 Ų | 119 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | trans | 54.9 | 147.7 | 138.2 | -62.5 | -8.1 | 0 | 0 | 0 | 121.4 | ||||
| 1496 | N | 28 | Very low | 28.3 | Very low | 129 Ų | 129 | 118.7 Ų | 118.7 | 69% | 0.69 | 74% | 0.74 | S | S | * | * | cis | -165.8 | -175.9 | -4.7 | -124 | -26.4 | 0 | 0 | 0 | 111.8 | ||||
| 1497 | L | 32.5 | Very low | 28.3 | Very low | 158 Ų | 158 | 117.6 Ų | 117.6 | 83% | 0.827 | 73% | 0.733 | S | S | * | * | trans | 81.7 | 144.4 | 162.6 | -58.6 | 119.9 | 0 | 0 | 0 | 118.6 | ||||
| 1498 | S | 29.4 | Very low | 28.1 | Very low | 80 Ų | 80 | 118.3 Ų | 118.3 | 56% | 0.559 | 73% | 0.729 | S | S | * | * | cis | 178 | 156.2 | -39.2 | 48.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1499 | N | 31.3 | Very low | 28.1 | Very low | 134 Ų | 134 | 119.7 Ų | 119.7 | 72% | 0.717 | 73% | 0.725 | S | S | * | * | trans | 74.3 | 145.3 | 159.5 | -54.6 | -24 | 0 | 0 | 0 | 117.9 | ||||
| 1500 | N | 31.4 | Very low | 27.8 | Very low | 140 Ų | 140 | 119 Ų | 119 | 75% | 0.749 | 72% | 0.721 | S | S | * | * | cis | -157.6 | 162 | -16 | -110.2 | -20.6 | 0 | 0 | 0 | 114 | ||||
| 1501 | S | 29.7 | Very low | 27.7 | Very low | 103 Ų | 103 | 120.1 Ų | 120.1 | 72% | 0.72 | 72% | 0.718 | S | S | * | * | trans | -65.2 | -165.3 | 178.5 | -37.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1502 | P | 34.1 | Very low | 27.6 | Very low | 109 Ų | 109 | 122.2 Ų | 122.2 | 71% | 0.708 | 72% | 0.721 | S | S | * | * | cis | -149.3 | 178.9 | 8.9 | 40.4 | -17.4 | 0 | 0 | 0 | 121 | ||||
| 1503 | S | 26.6 | Very low | 27.4 | Very low | 98 Ų | 98 | 128.5 Ų | 128.5 | 69% | 0.685 | 73% | 0.73 | S | S | * | * | trans | 64.8 | 133 | 146.5 | 49.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1504 | V | 28.9 | Very low | 27.4 | Very low | 128 Ų | 128 | 128.1 Ų | 128.1 | 78% | 0.776 | 73% | 0.727 | S | S | * | * | cis | 77.5 | 142.3 | 47.4 | 173.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1505 | P | 32.7 | Very low | 27.2 | Very low | 110 Ų | 110 | 128.6 Ų | 128.6 | 71% | 0.714 | 73% | 0.731 | S | S | * | * | cis | -115.7 | 173.5 | 10.6 | 14.3 | 12.4 | 0 | 0 | 0 | 114.7 | ||||
| 1506 | T | 24.1 | Very low | 27.2 | Very low | 122 Ų | 122 | 131 Ų | 131 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | cis | 84.2 | 133.3 | 44.7 | -36.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 1507 | T | 24.6 | Very low | 27.1 | Very low | 113 Ų | 113 | 133.8 Ų | 133.8 | 69% | 0.693 | 74% | 0.738 | S | S | * | * | trans | 119.6 | 135.6 | 141.8 | -25.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1508 | T | 24.1 | Very low | 26.9 | Very low | 106 Ų | 106 | 135.9 Ų | 135.9 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | trans | 79.4 | 101.4 | 144.7 | 29.5 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 1509 | Q | 24.7 | Very low | 26.8 | Very low | 170 Ų | 170 | 137.6 Ų | 137.6 | 79% | 0.794 | 74% | 0.74 | S | S | * | * | 70.8 | 131.2 | 116.5 | -71.9 | -175.9 | 21.3 | 0 | 0 | 124.3 | |||||
| 1510 | S | 24.3 | Very low | 26.7 | Very low | 107 Ų | 107 | 136.8 Ų | 136.8 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | trans | 79.9 | 156.8 | 142.2 | 90.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1511 | K | 23 | Very low | 26.6 | Very low | 176 Ų | 176 | 135.5 Ų | 135.5 | 77% | 0.765 | 75% | 0.747 | S | S | * | * | cis | -166.5 | 165.6 | -5.2 | -132.8 | 171.4 | -173.4 | 172.4 | 0 | 110.5 | ||||
| 1512 | L | 23.3 | Very low | 26.4 | Very low | 139 Ų | 139 | 138.1 Ų | 138.1 | 73% | 0.728 | 75% | 0.752 | S | S | * | * | trans | 71.4 | 137.5 | 159.9 | -62.2 | 162 | 0 | 0 | 0 | 115.4 | ||||
| 1513 | R | 22.7 | Very low | 26.5 | Very low | 230 Ų | 230 | 138.5 Ų | 138.5 | 87% | 0.868 | 76% | 0.755 | S | S | * | * | 65.3 | 137.9 | 63.3 | -80.5 | -171.7 | 178.3 | -174 | -0.8 | 112.8 | |||||
| 1514 | S | 24.6 | Very low | 27.2 | Very low | 99 Ų | 99 | 138.9 Ų | 138.9 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | cis | -169.3 | 162.7 | 6.3 | 40.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1515 | S | 24.5 | Very low | 27.6 | Very low | 108 Ų | 108 | 137.9 Ų | 137.9 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | trans | 21.6 | 142.5 | 145.3 | -44.3 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1516 | Q | 27.8 | Very low | 27.5 | Very low | 193 Ų | 193 | 139.2 Ų | 139.2 | 90% | 0.902 | 75% | 0.752 | S | S | * | * | -159.2 | 173.8 | 115.9 | -110.1 | 167.9 | 37.7 | 0 | 0 | 113.8 | |||||
| 1517 | R | 24 | Very low | 27.7 | Very low | 187 Ų | 187 | 142.1 Ų | 142.1 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | trans | -156 | 145.5 | -157.6 | 174.4 | -156 | -174.6 | 171.2 | 6.5 | 109.5 | E1519 | R1517-E1519 WeakPolarHBondContact CG-OE2 3.34Å; R1517-E1519 IonicContact CZ-OE1 3.66Å; R1517-E1519 IonicContact CZ-OE2 2.71Å; R1517-E1519 VanDerWaalsContact NE-CD 3.31Å; R1517-E1519 IonicContact NE-OE1 3.53Å; R1517-E1519 PolarHBondContact NE-OE1 3.07Å; R1517-E1519 IonicContact NE-OE2 3.93Å; R1517-E1519 PolarHBondContact NE-OE2 3.45Å; R1517-E1519 IonicContact NH2-OE1 2.81Å; R1517-E1519 PolarHBondContact NH2-OE1 2.83Å | ||
| 1518 | F | 29.8 | Very low | 27.9 | Very low | 202 Ų | 202 | 143.9 Ų | 143.9 | 89% | 0.886 | 76% | 0.762 | S | S | * | * | trans | -149.7 | 173.1 | 161.8 | -97.9 | -71.2 | 0 | 0 | 0 | 111.3 | ||||
| 1519 | E | 26.4 | Very low | 28.1 | Very low | 116 Ų | 116 | 143.8 Ų | 143.8 | 54% | 0.542 | 76% | 0.761 | S | S | . | * | trans | -140.6 | -173 | -164.6 | -100.2 | 88.4 | -179.8 | 0 | 0 | 111.3 | R1517 | R1517-E1519 WeakPolarHBondContact CG-OE2 3.34Å; R1517-E1519 IonicContact CZ-OE1 3.66Å; R1517-E1519 IonicContact CZ-OE2 2.71Å; R1517-E1519 VanDerWaalsContact NE-CD 3.31Å; R1517-E1519 IonicContact NE-OE1 3.53Å; R1517-E1519 PolarHBondContact NE-OE1 3.07Å; R1517-E1519 IonicContact NE-OE2 3.93Å; R1517-E1519 PolarHBondContact NE-OE2 3.45Å; R1517-E1519 IonicContact NH2-OE1 2.81Å; R1517-E1519 PolarHBondContact NH2-OE1 2.83Å | ||
| 1520 | S | 28.7 | Very low | 28.3 | Very low | 117 Ų | 117 | 141.4 Ų | 141.4 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | 90.2 | 144.7 | 173.6 | 78.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1521 | S | 29.1 | Very low | 28.5 | Very low | 112 Ų | 112 | 141.4 Ų | 141.4 | 78% | 0.783 | 75% | 0.754 | S | S | * | * | cis | -167.1 | 162.8 | -20.7 | 46.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1522 | L | 27.4 | Very low | 28.7 | Very low | 159 Ų | 159 | 140.3 Ų | 140.3 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | trans | -70.9 | -176.6 | 172.1 | -71 | 123.7 | 0 | 0 | 0 | 113 | ||||
| 1523 | P | 35 | Very low | 29.2 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 76% | 0.76 | 76% | 0.757 | S | S | * | * | cis | -143.5 | -178.3 | 13.1 | 42.5 | -21.4 | 0 | 0 | 0 | 119 | ||||
| 1524 | P | 41.8 | Very low | 29.5 | Very low | 105 Ų | 105 | 131.7 Ų | 131.7 | 68% | 0.682 | 75% | 0.751 | S | S | * | * | trans | -93 | -176.4 | 163.1 | 42.8 | -38.4 | 0 | 0 | 0 | 112 | ||||
| 1525 | P | 36.2 | Very low | 29.9 | Very low | 107 Ų | 107 | 132.2 Ų | 132.2 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | -124.5 | -150 | 68.9 | 20.7 | 4.1 | 0 | 0 | 0 | 111.2 | |||||
| 1526 | D | 32.1 | Very low | 30.1 | Very low | 139 Ų | 139 | 135.8 Ų | 135.8 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | cis | -141.2 | 170.9 | 8 | -67 | -82.5 | 0 | 0 | 0 | 107.6 | ||||
| 1527 | E | 27.8 | Very low | 30 | Very low | 182 Ų | 182 | 130.4 Ų | 130.4 | 85% | 0.85 | 74% | 0.741 | S | S | * | * | cis | 89.2 | 147.2 | 29.3 | -63.4 | -120.4 | 126.4 | 0 | 0 | 117.5 | ||||
| 1528 | D | 29.1 | Very low | 30.2 | Very low | 150 Ų | 150 | 129.8 Ų | 129.8 | 80% | 0.802 | 75% | 0.745 | S | S | * | * | trans | 66.1 | 154.2 | -177.7 | -78.8 | -17.9 | 0 | 0 | 0 | 121.2 | ||||
| 1529 | V | 28.1 | Very low | 30 | Very low | 105 Ų | 105 | 124.4 Ų | 124.4 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | cis | -178.6 | 165 | -42.9 | 129.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1530 | T | 28.4 | Very low | 30 | Very low | 120 Ų | 120 | 123.6 Ų | 123.6 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | trans | 65.4 | 157.6 | 165.3 | 48.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1531 | T | 28.2 | Very low | 29.9 | Very low | 106 Ų | 106 | 126.4 Ų | 126.4 | 65% | 0.65 | 74% | 0.737 | S | S | * | * | cis | -168 | 140.9 | -34.1 | 28.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1532 | L | 28 | Very low | 29.7 | Very low | 154 Ų | 154 | 129.6 Ų | 129.6 | 81% | 0.806 | 73% | 0.732 | S | S | * | * | trans | 61.7 | 178.3 | 139.5 | -61.6 | 169.5 | 0 | 0 | 0 | 119 | ||||
| 1533 | P | 34.1 | Very low | 29.7 | Very low | 116 Ų | 116 | 131 Ų | 131 | 75% | 0.753 | 73% | 0.727 | S | S | * | * | -136.4 | 151.9 | -59.4 | 38.1 | -23.7 | 0 | 0 | 0 | 117 | |||||
| 1534 | G | 27.5 | Very low | 29.2 | Very low | 72 Ų | 72 | 135 Ų | 135 | 74% | 0.742 | 73% | 0.726 | S | S | * | * | trans | 85.7 | -173.1 | 141.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1535 | P | 33.9 | Very low | 28.5 | Very low | 110 Ų | 110 | 136 Ų | 136 | 71% | 0.714 | 72% | 0.723 | S | S | * | * | -139.5 | -178.5 | -53 | 41.3 | -29.1 | 0 | 0 | 0 | 114.1 | |||||
| 1536 | Q | 28.2 | Very low | 28 | Very low | 182 Ų | 182 | 139.1 Ų | 139.1 | 85% | 0.85 | 73% | 0.729 | S | S | * | * | trans | 74.2 | 144.6 | 162.9 | -63.6 | 175.9 | 26.4 | 0 | 0 | 117.7 | ||||
| 1537 | S | 26.2 | Very low | 27.7 | Very low | 81 Ų | 81 | 136.7 Ų | 136.7 | 57% | 0.566 | 73% | 0.728 | S | S | * | * | cis | -162.3 | 163 | -18.9 | 63.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1538 | H | 28.7 | Very low | 27.6 | Very low | 173 Ų | 173 | 132.2 Ų | 132.2 | 80% | 0.801 | 72% | 0.722 | S | S | * | * | trans | 50.1 | 142.6 | 157.2 | -57.3 | -60.2 | 0 | 0 | 0 | 121.6 | ||||
| 1539 | S | 26.1 | Very low | 27.4 | Very low | 90 Ų | 90 | 130.8 Ų | 130.8 | 63% | 0.629 | 72% | 0.724 | S | S | * | * | cis | -172.8 | 147.6 | -21 | 57.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 1540 | S | 26 | Very low | 27.3 | Very low | 98 Ų | 98 | 130 Ų | 130 | 69% | 0.685 | 73% | 0.728 | S | S | * | * | trans | 63.1 | 144.3 | 139.6 | -68.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1541 | K | 25.9 | Very low | 27.3 | Very low | 176 Ų | 176 | 129.2 Ų | 129.2 | 77% | 0.765 | 73% | 0.728 | S | S | * | * | cis | -174.3 | 147.2 | -23.7 | -121.8 | 167.2 | -171.1 | 166.3 | 0 | 109.3 | ||||
| 1542 | R | 25.7 | Very low | 27.3 | Very low | 179 Ų | 179 | 132.1 Ų | 132.1 | 68% | 0.675 | 74% | 0.739 | S | S | * | * | trans | 59.2 | 130.4 | 142.4 | -81.3 | -179.4 | 165.2 | -164.1 | -1.4 | 122 | ||||
| 1543 | R | 26.6 | Very low | 27.4 | Very low | 190 Ų | 190 | 130.6 Ų | 130.6 | 72% | 0.717 | 74% | 0.736 | S | S | * | * | 73.6 | 142.3 | 128.5 | -68.1 | 179.3 | -179.5 | -167.2 | -4.7 | 117.7 | |||||
| 1544 | R | 25.4 | Very low | 27.3 | Very low | 199 Ų | 199 | 132.1 Ų | 132.1 | 75% | 0.751 | 74% | 0.738 | S | S | * | * | cis | 107 | 110.2 | 21.4 | 178.4 | -172.1 | 169 | 168.5 | 1.9 | 111.9 | ||||
| 1545 | M | 25.9 | Very low | 27.9 | Very low | 126 Ų | 126 | 133 Ų | 133 | 62% | 0.621 | 73% | 0.73 | S | S | * | * | trans | 69.9 | 149.7 | 154.5 | -70.9 | 166.7 | 168.4 | 0 | 0 | 120.4 | ||||
| 1546 | E | 25.8 | Very low | 27.9 | Very low | 174 Ų | 174 | 135.3 Ų | 135.3 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | trans | 66.6 | 150.2 | 154.2 | -69.8 | 143.5 | -141.3 | 0 | 0 | 119.3 | ||||
| 1547 | A | 25.9 | Very low | 27.9 | Very low | 87 Ų | 87 | 130.5 Ų | 130.5 | 72% | 0.719 | 74% | 0.736 | S | S | * | * | cis | -167.8 | 155.9 | -25.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1548 | A | 26 | Very low | 28 | Very low | 88 Ų | 88 | 133 Ų | 133 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | trans | 64.1 | 144.5 | 149.9 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1549 | S | 25.3 | Very low | 27.9 | Very low | 120 Ų | 120 | 131 Ų | 131 | 84% | 0.839 | 75% | 0.745 | S | S | * | * | trans | 62.6 | 141.4 | 148.8 | 49.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1550 | A | 26.5 | Very low | 28.1 | Very low | 88 Ų | 88 | 135 Ų | 135 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | cis | -170.5 | -175.5 | -9.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1551 | S | 27.1 | Very low | 28.1 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | 67.1 | 126.6 | 173.6 | 34.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1552 | L | 28.7 | Very low | 28.3 | Very low | 167 Ų | 167 | 134.8 Ų | 134.8 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | 75.5 | 134.2 | 54.1 | -65.4 | 164.3 | 0 | 0 | 0 | 111.8 | |||||
| 1553 | T | 29.9 | Very low | 28.5 | Very low | 122 Ų | 122 | 131.7 Ų | 131.7 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | cis | -143.8 | 142.6 | 20.3 | 40.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1554 | N | 32.9 | Very low | 28.8 | Very low | 148 Ų | 148 | 129 Ų | 129 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | 73.9 | 164 | 89.9 | -144 | 26.3 | 0 | 0 | 0 | 114.9 | |||||
| 1555 | P | 39.6 | Very low | 29 | Very low | 90 Ų | 90 | 124.1 Ų | 124.1 | 58% | 0.584 | 77% | 0.766 | S | S | * | * | cis | -127.9 | 172.6 | -18.9 | 28.3 | -6.8 | 0 | 0 | 0 | 116 | ||||
| 1556 | N | 33 | Very low | 29.2 | Very low | 159 Ų | 159 | 127.8 Ų | 127.8 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | 164.6 | 128.9 | 126.3 | -87.8 | -28 | 0 | 0 | 0 | 115.6 | |||||
| 1557 | G | 30.1 | Very low | 29.5 | Very low | 81 Ų | 81 | 123.4 Ų | 123.4 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | trans | 77.2 | 140 | 162.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1558 | C | 27.3 | Very low | 29.8 | Very low | 132 Ų | 132 | 124.7 Ų | 124.7 | 89% | 0.892 | 78% | 0.776 | S | S | * | * | cis | -147 | 159.1 | -2.7 | -162.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1559 | I | 26.8 | Very low | 30.1 | Very low | 131 Ų | 131 | 126.2 Ų | 126.2 | 67% | 0.672 | 78% | 0.776 | S | S | * | * | trans | -125.3 | 147.1 | -172.5 | -63.1 | 168.5 | 0 | 0 | 0 | 110 | ||||
| 1560 | L | 29.9 | Very low | 30.4 | Very low | 175 Ų | 175 | 127 Ų | 127 | 92% | 0.916 | 77% | 0.771 | S | S | * | * | trans | -143.3 | 138.9 | 147.8 | -106.7 | 173.3 | 0 | 0 | 0 | 111 | ||||
| 1561 | N | 25.9 | Very low | 30.8 | Very low | 133 Ų | 133 | 128.5 Ų | 128.5 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | -116.8 | 156.9 | -172.1 | -66.6 | -37.7 | 0 | 0 | 0 | 111.6 | ||||
| 1562 | V | 30.8 | Very low | 31.1 | Very low | 137 Ų | 137 | 128.7 Ų | 128.7 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | trans | -131.8 | 100.3 | 152.5 | -178.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1563 | T | 29.9 | Very low | 31.3 | Very low | 114 Ų | 114 | 127.4 Ų | 127.4 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | trans | 24.2 | 118.1 | 155.2 | 60.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1564 | T | 31.7 | Very low | 31.4 | Very low | 134 Ų | 134 | 129.4 Ų | 129.4 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | -170.6 | 166.3 | 65.1 | 39.1 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 1565 | S | 31 | Very low | 31.5 | Very low | 96 Ų | 96 | 126.4 Ų | 126.4 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | cis | -167.4 | 174.2 | -29.1 | 68 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1566 | K | 29.8 | Very low | 31.1 | Very low | 202 Ų | 202 | 132.1 Ų | 132.1 | 88% | 0.878 | 76% | 0.76 | S | S | * | * | trans | 34.1 | 124.8 | 161.9 | -62.9 | -178.9 | -179.5 | 179.5 | 0 | 119.6 | ||||
| 1567 | A | 32.3 | Very low | 31 | Very low | 83 Ų | 83 | 132 Ų | 132 | 69% | 0.686 | 76% | 0.755 | S | S | * | * | cis | -170.3 | 158 | -3.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1568 | S | 31.2 | Very low | 31 | Very low | 114 Ų | 114 | 131.4 Ų | 131.4 | 80% | 0.797 | 74% | 0.738 | S | S | * | * | trans | 61.1 | 141.1 | 150.1 | 50.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1569 | V | 33.3 | Very low | 31.3 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | cis | -165.2 | 141.2 | -0.9 | 115.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1570 | N | 31.7 | Very low | 31.5 | Very low | 137 Ų | 137 | 133.3 Ų | 133.3 | 73% | 0.733 | 73% | 0.728 | S | S | * | * | trans | 59.3 | 171.9 | 153 | -66.3 | 14.2 | 0 | 0 | 0 | 120.6 | ||||
| 1571 | T | 34.4 | Very low | 31.5 | Very low | 119 Ų | 119 | 130 Ų | 130 | 73% | 0.73 | 72% | 0.719 | S | S | * | * | cis | -172.8 | 165.4 | -18.3 | 30.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1572 | V | 33.6 | Very low | 31.7 | Very low | 109 Ų | 109 | 128.6 Ų | 128.6 | 66% | 0.661 | 72% | 0.72 | S | S | * | * | cis | -177.4 | 162.6 | -28 | 74 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1573 | D | 31.4 | Very low | 31.7 | Very low | 140 Ų | 140 | 127.5 Ų | 127.5 | 75% | 0.749 | 71% | 0.714 | S | S | * | * | trans | 60.8 | 155.4 | 159 | -63.4 | -16.1 | 0 | 0 | 0 | 124.2 | ||||
| 1574 | E | 32.3 | Very low | 31.6 | Very low | 164 Ų | 164 | 131.8 Ų | 131.8 | 77% | 0.766 | 72% | 0.717 | S | S | * | * | cis | -155.9 | -147.3 | -34.8 | -142.8 | -142.3 | 157.2 | 0 | 0 | 110.8 | ||||
| 1575 | P | 36.8 | Very low | 31.6 | Very low | 85 Ų | 85 | 133.8 Ų | 133.8 | 55% | 0.552 | 72% | 0.715 | S | S | * | * | trans | -139.8 | -153.5 | -146.8 | 43.6 | -17.6 | 0 | 0 | 0 | 118.5 | ||||
| 1576 | R | 30.3 | Very low | 31.4 | Very low | 209 Ų | 209 | 139.3 Ų | 139.3 | 79% | 0.789 | 72% | 0.721 | S | S | * | * | trans | 78 | 150 | 160.3 | -80.7 | 178.5 | -164.5 | 162.7 | 9.1 | 119.2 | ||||
| 1577 | E | 31.3 | Very low | 31.4 | Very low | 156 Ų | 156 | 135.3 Ų | 135.3 | 73% | 0.729 | 72% | 0.718 | S | S | * | * | cis | -164.9 | -172.1 | -16 | -137.7 | -169.9 | -73.1 | 0 | 0 | 108.3 | ||||
| 1578 | S | 29.7 | Very low | 31.2 | Very low | 69 Ų | 69 | 137.6 Ų | 137.6 | 48% | 0.483 | 72% | 0.724 | S | S | . | * | cis | -166.1 | 177 | 4.1 | 61.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 1579 | H | 34.4 | Very low | 31.4 | Very low | 142 Ų | 142 | 137.1 Ų | 137.1 | 66% | 0.657 | 72% | 0.718 | S | S | * | * | trans | 69.1 | 157.5 | 154.5 | -66.8 | -7.3 | 0 | 0 | 0 | 119.3 | ||||
| 1580 | K | 30.6 | Very low | 31.2 | Very low | 162 Ų | 162 | 136.8 Ų | 136.8 | 70% | 0.704 | 72% | 0.716 | S | S | * | * | cis | -173.1 | 163.5 | -13.2 | -99.8 | 164.8 | -179.4 | 156.4 | 0 | 106.3 | ||||
| 1581 | S | 30.3 | Very low | 31.1 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 73% | 0.727 | 71% | 0.709 | S | S | * | * | cis | -179.2 | 161.3 | -18.4 | 53.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1582 | S | 28.6 | Very low | 31.2 | Very low | 105 Ų | 105 | 136 Ų | 136 | 73% | 0.734 | 71% | 0.713 | S | S | * | * | trans | 81.8 | 150.2 | 159 | -137.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1583 | T | 31.9 | Very low | 31.2 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 70% | 0.699 | 72% | 0.722 | S | S | * | * | cis | -157.2 | 135.1 | 6.7 | -22.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1584 | R | 28.4 | Very low | 31.1 | Very low | 203 Ų | 203 | 133.4 Ų | 133.4 | 77% | 0.766 | 72% | 0.716 | S | S | * | * | trans | 51.6 | 127.5 | 143.5 | -76.9 | 178.2 | 171.4 | -176.6 | -0.3 | 126.5 | ||||
| 1585 | K | 30 | Very low | 30.9 | Very low | 177 Ų | 177 | 131.8 Ų | 131.8 | 77% | 0.77 | 72% | 0.723 | S | S | * | * | trans | 69.1 | 158.6 | 130.1 | -66.1 | 179 | 178 | -169.8 | 0 | 121 | ||||
| 1586 | R | 27 | Very low | 30.5 | Very low | 211 Ų | 211 | 132 Ų | 132 | 80% | 0.796 | 73% | 0.732 | S | S | * | * | cis | 153.7 | 108.3 | -34.9 | 177 | -161.7 | -169.7 | -153.2 | 6.5 | 110 | ||||
| 1587 | S | 29.8 | Very low | 30.4 | Very low | 119 Ų | 119 | 128.1 Ų | 128.1 | 83% | 0.832 | 73% | 0.734 | S | S | * | * | trans | -172.5 | 142.3 | 148.4 | 48.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1588 | T | 29.1 | Very low | 30.3 | Very low | 131 Ų | 131 | 128.6 Ų | 128.6 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | trans | -111.6 | -163.4 | 174.1 | 55.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1589 | P | 35.9 | Very low | 30.1 | Very low | 104 Ų | 104 | 129.5 Ų | 129.5 | 68% | 0.675 | 74% | 0.743 | S | S | * | * | cis | -137.3 | -167.8 | -10.5 | 29.4 | -4.4 | 0 | 0 | 0 | 115.6 | ||||
| 1590 | T | 28.3 | Very low | 29.8 | Very low | 112 Ų | 112 | 129.1 Ų | 129.1 | 69% | 0.687 | 75% | 0.753 | S | S | * | * | trans | 119.6 | 123.5 | 131 | -20.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1591 | S | 29.7 | Very low | 29.5 | Very low | 82 Ų | 82 | 128.1 Ų | 128.1 | 57% | 0.573 | 75% | 0.751 | S | S | * | * | trans | 44.3 | 127.1 | 151.6 | 59.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1592 | I | 35.9 | Very low | 29.3 | Very low | 159 Ų | 159 | 128.9 Ų | 128.9 | 82% | 0.815 | 75% | 0.746 | S | S | * | * | cis | 68.9 | 117.4 | 47.7 | -55.5 | 167.7 | 0 | 0 | 0 | 111 | ||||
| 1593 | P | 33.9 | Very low | 29.2 | Very low | 133 Ų | 133 | 128.6 Ų | 128.6 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | -138.5 | -178.4 | 69.2 | 32.8 | -11.9 | 0 | 0 | 0 | 114.6 | |||||
| 1594 | G | 29.1 | Very low | 29.1 | Very low | 60 Ų | 60 | 129.6 Ų | 129.6 | 62% | 0.619 | 75% | 0.75 | S | S | * | * | cis | 159.6 | 170.8 | -6.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1595 | S | 28.9 | Very low | 29 | Very low | 131 Ų | 131 | 126.9 Ų | 126.9 | 92% | 0.916 | 75% | 0.746 | S | S | * | * | trans | 67 | 156.1 | -176.5 | 81 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1596 | A | 28.5 | Very low | 28.7 | Very low | 89 Ų | 89 | 125.1 Ų | 125.1 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | cis | -141.5 | 170.4 | 2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1597 | P | 27.3 | Very low | 28.7 | Very low | 127 Ų | 127 | 123.2 Ų | 123.2 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | trans | -92.8 | 147.2 | -163.1 | 35.7 | -34.9 | 0 | 0 | 0 | 115.6 | ||||
| 1598 | I | 29.5 | Very low | 28.5 | Very low | 166 Ų | 166 | 125.4 Ų | 125.4 | 85% | 0.851 | 74% | 0.74 | S | S | * | * | trans | -137.2 | 147.7 | 166.2 | -59.4 | -177.4 | 0 | 0 | 0 | 109.3 | ||||
| 1599 | T | 26.3 | Very low | 28.3 | Very low | 89 Ų | 89 | 128.2 Ų | 128.2 | 55% | 0.546 | 74% | 0.737 | S | S | . | * | trans | -76.9 | 161.1 | -170 | 46.4 | 0 | 0 | 0 | 0 | 114.9 | E1601 | T1599-E1601 PolarHBondContact O-N 3.11Š| ||
| 1600 | P | 26.9 | Very low | 27.9 | Very low | 133 Ų | 133 | 129.5 Ų | 129.5 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -79.3 | 41.9 | 170.3 | 36.3 | -37.3 | 0 | 0 | 0 | 112.7 | ||
| 1601 | E | 25.5 | Very low | 27.7 | Very low | 142 Ų | 142 | 131.5 Ų | 131.5 | 66% | 0.664 | 75% | 0.75 | S | S | * | * | trans | -118.7 | 149.5 | 172.6 | -68.2 | -177.7 | 127.8 | 0 | 0 | 109 | T1599 | T1599-E1601 PolarHBondContact O-N 3.11Š| ||
| 1602 | N | 25.8 | Very low | 27.6 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 85.1 | -11.1 | -173.6 | -51.2 | -36.5 | 0 | 0 | 0 | 118.4 | I1604 | N1602-I1604 PolarHBondContact O-N 3.42Å; N1602-I1604 VanDerWaalsContact O-N 3.13Å |
| 1603 | A | 26.1 | Very low | 27.1 | Very low | 100 Ų | 100 | 127.5 Ų | 127.5 | 83% | 0.826 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -3.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 1604 | I | 28.5 | Very low | 26.7 | Very low | 135 Ų | 135 | 129.1 Ų | 129.1 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113 | -3 | -173.4 | -68.5 | 174.5 | 0 | 0 | 0 | 112.7 | F642 N1602 | F642-I1604 HydrophobicContact CZ-CG2 4.02Å; N1602-I1604 PolarHBondContact O-N 3.42Å; N1602-I1604 VanDerWaalsContact O-N 3.13Å |
| 1605 | Q | 26.1 | Very low | 26.6 | Very low | 146 Ų | 146 | 133 Ų | 133 | 68% | 0.682 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -101.8 | -6.6 | -170.5 | -75.8 | 178.3 | -19.7 | 0 | 0 | 116.4 | ||
| 1606 | N | 25.6 | Very low | 26.4 | Very low | 140 Ų | 140 | 132.3 Ų | 132.3 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -111.7 | 26.2 | -173.7 | -76.7 | -28.5 | 0 | 0 | 0 | 115.6 | ||
| 1607 | L | 26.4 | Very low | 26.3 | Very low | 170 Ų | 170 | 134.8 Ų | 134.8 | 89% | 0.89 | 75% | 0.751 | S | S | * | * | trans | -112.1 | 18.2 | 170 | -81.6 | 172.6 | 0 | 0 | 0 | 114.1 | Y1609 | L1607-Y1609 VanDerWaalsContact C-N 3.28Å; L1607-Y1609 PolarHBondContact O-N 3.08Å | ||
| 1608 | R | 24.4 | Very low | 26.3 | Very low | 165 Ų | 165 | 135.6 Ų | 135.6 | 62% | 0.623 | 75% | 0.754 | S | S | * | * | trans | -83.7 | 73.1 | 158.7 | -78.6 | -174.2 | 172.1 | 147.8 | 0.9 | 109.9 | Q645 | Q645-R1608 VanDerWaalsContact OE1-NH1 3.1Š| ||
| 1609 | Y | 26.8 | Very low | 26.1 | Very low | 191 Ų | 191 | 133.7 Ų | 133.7 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | trans | -116.2 | 125.8 | 165.3 | -99.2 | -79.5 | 0 | 0 | 0 | 110.9 | L1607 N1611 | L1607-Y1609 VanDerWaalsContact C-N 3.28Å; L1607-Y1609 PolarHBondContact O-N 3.08Å; Y1609-N1611 PolarHBondContact O-N 2.87Å | ||
| 1610 | T | 25.7 | Very low | 25.9 | Very low | 130 Ų | 130 | 134.9 Ų | 134.9 | 80% | 0.798 | 76% | 0.759 | S | S | * | * | trans | -55.7 | 113.8 | 171.4 | 47.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1611 | N | 26 | Very low | 25.9 | Very low | 154 Ų | 154 | 134.2 Ų | 134.2 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | trans | -115.9 | 44 | 171.5 | -91.6 | -18.1 | 0 | 0 | 0 | 111.7 | Y1609 G1613 | Y1609-N1611 PolarHBondContact O-N 2.87Å; N1611-G1613 VanDerWaalsContact C-N 3.28Å; N1611-G1613 PolarHBondContact O-N 3.1Å | ||
| 1612 | A | 26.9 | Very low | 25.8 | Very low | 107 Ų | 107 | 135 Ų | 135 | 88% | 0.884 | 77% | 0.766 | S | S | * | * | trans | -82.3 | 76.3 | 160.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1613 | G | 24.6 | Very low | 25.9 | Very low | 51 Ų | 51 | 137.1 Ų | 137.1 | 53% | 0.526 | 78% | 0.777 | S | S | . | * | trans | 169.6 | 131.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | N1611 | N1611-G1613 VanDerWaalsContact C-N 3.28Å; N1611-G1613 PolarHBondContact O-N 3.1Å | ||
| 1614 | I | 26 | Very low | 25.9 | Very low | 167 Ų | 167 | 137.7 Ų | 137.7 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | trans | 55.9 | 105.4 | 170 | -19.6 | 179.4 | 0 | 0 | 0 | 113.5 | ||||
| 1615 | I | 27.3 | Very low | 25.9 | Very low | 142 Ų | 142 | 136.6 Ų | 136.6 | 73% | 0.728 | 77% | 0.774 | S | S | * | * | -155.5 | 114.8 | 63.5 | -73.5 | 159.5 | 0 | 0 | 0 | 109.5 | N1617 | I1615-N1617 HydrophobicContact CG2-CB 4.32Š| |||
| 1616 | S | 23.7 | Very low | 26.1 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | trans | -106.3 | 75.3 | 156.5 | 43.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1617 | N | 26.7 | Very low | 26.3 | Very low | 140 Ų | 140 | 134.5 Ų | 134.5 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | -161.9 | 76.5 | 176.9 | -106 | -29.6 | 0 | 0 | 0 | 113.7 | I1615 | I1615-N1617 HydrophobicContact CG2-CB 4.32Š| ||
| 1618 | T | 26.8 | Very low | 26.4 | Very low | 144 Ų | 144 | 130.9 Ų | 130.9 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | trans | -172.7 | 100.2 | 133 | 15.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1619 | V | 26.1 | Very low | 26.6 | Very low | 127 Ų | 127 | 128.8 Ų | 128.8 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | -74.9 | 138.9 | 160.4 | 174.8 | 0 | 0 | 0 | 0 | 108 | S1621 | V1619-S1621 PolarHBondContact O-N 3.05Å; V1619-S1621 VanDerWaalsContact O-N 3.09Å | ||
| 1620 | P | 22.8 | Very low | 26.8 | Very low | 113 Ų | 113 | 123.6 Ų | 123.6 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | trans | -70 | 103.1 | 169.5 | 28.7 | -33.3 | 0 | 0 | 0 | 110 | L1622 | P1620-L1622 PolarHBondContact O-N 3.16Š| ||
| 1621 | S | 26.7 | Very low | 26.9 | Very low | 120 Ų | 120 | 120.7 Ų | 120.7 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | trans | -76 | 83.3 | 179.4 | 47.8 | 0 | 0 | 0 | 0 | 112.4 | V1619 N1623 | V1619-S1621 PolarHBondContact O-N 3.05Å; V1619-S1621 VanDerWaalsContact O-N 3.09Å; S1621-N1623 PolarHBondContact O-N 2.98Å | ||
| 1622 | L | 23.9 | Very low | 27.1 | Very low | 158 Ų | 158 | 118.9 Ų | 118.9 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | trans | -83.2 | 101.6 | 165.5 | -84.8 | 165.3 | 0 | 0 | 0 | 110.4 | P1620 | P1620-L1622 PolarHBondContact O-N 3.16Š| ||
| 1623 | N | 26.1 | Very low | 27.2 | Very low | 163 Ų | 163 | 119 Ų | 119 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | trans | -165.6 | 86.1 | 158.1 | -106.8 | -22.9 | 0 | 0 | 0 | 112.8 | S1621 | S1621-N1623 PolarHBondContact O-N 2.98Š| ||
| 1624 | S | 27.5 | Very low | 27.4 | Very low | 113 Ų | 113 | 119.4 Ų | 119.4 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | -168.4 | 95.2 | 153.2 | -168.5 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1625 | V | 28.6 | Very low | 27.6 | Very low | 111 Ų | 111 | 118.8 Ų | 118.8 | 67% | 0.673 | 78% | 0.778 | S | S | * | * | 76.1 | 112.3 | 73.9 | 176.7 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1626 | N | 29.4 | Very low | 27.8 | Very low | 143 Ų | 143 | 115.3 Ų | 115.3 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | trans | 73.5 | 112.2 | 154.7 | -65.6 | -3.3 | 0 | 0 | 0 | 122.5 | ||||
| 1627 | S | 29.3 | Very low | 28.1 | Very low | 100 Ų | 100 | 114.6 Ų | 114.6 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | 87.4 | 126.2 | 114.3 | 71.3 | 0 | 0 | 0 | 0 | 123 | |||||
| 1628 | S | 28.7 | Very low | 28.2 | Very low | 94 Ų | 94 | 118.8 Ų | 118.8 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | trans | 71.4 | 100.8 | 131.5 | 63.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1629 | S | 29 | Very low | 28.4 | Very low | 121 Ų | 121 | 116.5 Ų | 116.5 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | 46.8 | 115.7 | 123.1 | 63.5 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 1630 | G | 31 | Very low | 28.5 | Very low | 82 Ų | 82 | 116.7 Ų | 116.7 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | trans | 80.2 | 146.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1631 | G | 27.5 | Very low | 28.9 | Very low | 69 Ų | 69 | 115.6 Ų | 115.6 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | cis | 158.6 | 153.5 | 3.6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 1632 | S | 30.5 | Very low | 28.9 | Very low | 116 Ų | 116 | 115.2 Ų | 115.2 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | trans | 65.7 | 125.7 | -165.8 | -102.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1633 | S | 28.9 | Very low | 29.4 | Very low | 108 Ų | 108 | 113.8 Ų | 113.8 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | 84.3 | 133.9 | 69.5 | 86.1 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1634 | G | 29.5 | Very low | 29.7 | Very low | 61 Ų | 61 | 109 Ų | 109 | 63% | 0.629 | 76% | 0.756 | S | S | * | * | trans | 104.7 | 116.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1635 | T | 29.8 | Very low | 29.7 | Very low | 153 Ų | 153 | 111.9 Ų | 111.9 | 94% | 0.939 | 76% | 0.757 | S | S | * | * | 68.5 | 129.6 | 51.5 | 74.5 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1636 | G | 30.6 | Very low | 29.8 | Very low | 70 Ų | 70 | 113.5 Ų | 113.5 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | trans | 108.4 | 84.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1637 | S | 30.1 | Very low | 29.9 | Very low | 100 Ų | 100 | 114 Ų | 114 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | cis | 81.9 | 128.2 | 42.5 | 95.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1638 | R | 29.6 | Very low | 29.7 | Very low | 228 Ų | 228 | 119 Ų | 119 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | 63.2 | 176.1 | 164.9 | -58.4 | 171.5 | 150.9 | 151.4 | -9.6 | 113.1 | ||||
| 1639 | S | 30.1 | Very low | 30 | Very low | 97 Ų | 97 | 119.3 Ų | 119.3 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | cis | -141.9 | 126.3 | 6.7 | -47.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1640 | T | 29.7 | Very low | 29.9 | Very low | 131 Ų | 131 | 119.5 Ų | 119.5 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | 45.2 | 85.6 | 85.6 | 67.7 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 1641 | A | 29.7 | Very low | 30.1 | Very low | 89 Ų | 89 | 122 Ų | 122 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | trans | -155.7 | 140.8 | 136.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1642 | S | 27.7 | Very low | 30.1 | Very low | 112 Ų | 112 | 122.9 Ų | 122.9 | 78% | 0.783 | 75% | 0.753 | S | S | * | * | cis | 80.5 | 143.9 | 27.2 | -49.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1643 | P | 35.3 | Very low | 30.2 | Very low | 128 Ų | 128 | 121.5 Ų | 121.5 | 83% | 0.831 | 74% | 0.743 | S | S | * | * | -125.1 | 164.2 | -111.7 | 26.9 | -6.8 | 0 | 0 | 0 | 115.6 | |||||
| 1644 | G | 31 | Very low | 29.9 | Very low | 63 Ų | 63 | 123.3 Ų | 123.3 | 65% | 0.649 | 74% | 0.744 | S | S | * | * | trans | -130.6 | 126.5 | 150.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1645 | E | 28.7 | Very low | 29.7 | Very low | 173 Ų | 173 | 130 Ų | 130 | 81% | 0.808 | 75% | 0.75 | S | S | * | * | 64 | 110.4 | 70.3 | -64.6 | -162.8 | 140.3 | 0 | 0 | 110.4 | |||||
| 1646 | N | 30.2 | Very low | 29.4 | Very low | 146 Ų | 146 | 129.1 Ų | 129.1 | 78% | 0.781 | 74% | 0.735 | S | S | * | * | 67.5 | 149.7 | 76.7 | -74.4 | -24.8 | 0 | 0 | 0 | 111.7 | |||||
| 1647 | I | 30.7 | Very low | 29.1 | Very low | 154 Ų | 154 | 133.6 Ų | 133.6 | 79% | 0.79 | 74% | 0.737 | S | S | * | * | trans | 74.6 | 121.7 | -167.4 | -51.7 | 166.1 | 0 | 0 | 0 | 111.7 | ||||
| 1648 | Y | 25.7 | Very low | 28.8 | Very low | 205 Ų | 205 | 135.3 Ų | 135.3 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | cis | -164.5 | 179.8 | -27.3 | -111 | -36.9 | 0 | 0 | 0 | 107.4 | ||||
| 1649 | P | 34.2 | Very low | 28.5 | Very low | 100 Ų | 100 | 130.7 Ų | 130.7 | 65% | 0.649 | 72% | 0.721 | S | S | * | * | trans | -93.4 | 119.3 | -159.9 | 13.4 | 7.6 | 0 | 0 | 0 | 112.3 | ||||
| 1650 | V | 28.4 | Very low | 28.4 | Very low | 124 Ų | 124 | 134.6 Ų | 134.6 | 75% | 0.752 | 73% | 0.729 | S | S | * | * | trans | -130.2 | 106 | 167.7 | -177.3 | 0 | 0 | 0 | 0 | 105.7 | S1652 | V1650-S1652 VanDerWaalsContact C-N 3.32Å; V1650-S1652 VanDerWaalsContact CG1-N 3.28Å | ||
| 1651 | N | 33.7 | Very low | 28.2 | Very low | 136 Ų | 136 | 134.3 Ų | 134.3 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | cis | 65.6 | 23.3 | 16.5 | -115.7 | 17.2 | 0 | 0 | 0 | 115.5 | S1653 | N1651-S1653 WeakPolarHBondContact O-CB 3.45Å; N1651-S1653 PolarHBondContact O-OG 3.42Å; N1651-S1653 VanDerWaalsContact O-OG 3.09Å | ||
| 1652 | S | 28.1 | Very low | 28 | Very low | 87 Ų | 87 | 135 Ų | 135 | 61% | 0.608 | 72% | 0.718 | S | S | * | * | trans | -82.6 | 115 | 139.3 | 52 | 0 | 0 | 0 | 0 | 107.1 | V1650 | V1650-S1652 VanDerWaalsContact C-N 3.32Å; V1650-S1652 VanDerWaalsContact CG1-N 3.28Å | ||
| 1653 | S | 32.1 | Very low | 27.9 | Very low | 86 Ų | 86 | 140.3 Ų | 140.3 | 60% | 0.601 | 72% | 0.72 | S | S | * | * | cis | 64.2 | 39 | 14.8 | -51.8 | 0 | 0 | 0 | 0 | 116 | N1651 | N1651-S1653 WeakPolarHBondContact O-CB 3.45Å; N1651-S1653 PolarHBondContact O-OG 3.42Å; N1651-S1653 VanDerWaalsContact O-OG 3.09Å | ||
| 1654 | L | 22.8 | Very low | 27.6 | Very low | 146 Ų | 146 | 141.9 Ų | 141.9 | 76% | 0.764 | 72% | 0.717 | S | S | * | * | trans | -106.2 | 118.4 | 134.3 | -80.3 | 123.4 | 0 | 0 | 0 | 105.9 | ||||
| 1655 | R | 24.8 | Very low | 27.5 | Very low | 203 Ų | 203 | 144.5 Ų | 144.5 | 77% | 0.766 | 73% | 0.725 | S | S | * | * | cis | 66.5 | 141.6 | 14.8 | -134.4 | -173.9 | -160.4 | -163.3 | 7.2 | 113.2 | ||||
| 1656 | H | 24.7 | Very low | 27.5 | Very low | 133 Ų | 133 | 140.2 Ų | 140.2 | 62% | 0.616 | 71% | 0.714 | S | S | * | * | trans | 69.2 | 147 | -171.8 | -42.8 | -69.1 | 0 | 0 | 0 | 112.4 | ||||
| 1657 | H | 23.5 | Very low | 27.6 | Very low | 164 Ų | 164 | 140.3 Ų | 140.3 | 76% | 0.759 | 71% | 0.709 | S | S | * | * | cis | -123 | 165.3 | 10.7 | -74.1 | -56.8 | 0 | 0 | 0 | 111 | ||||
| 1658 | H | 23.9 | Very low | 27.5 | Very low | 136 Ų | 136 | 139.7 Ų | 139.7 | 63% | 0.63 | 70% | 0.703 | S | S | * | * | cis | -155.2 | -175.4 | -17.6 | -122.6 | -33.2 | 0 | 0 | 0 | 111.4 | ||||
| 1659 | H | 23.8 | Very low | 27.6 | Very low | 131 Ų | 131 | 140.1 Ų | 140.1 | 61% | 0.606 | 70% | 0.704 | S | S | * | * | trans | -44.1 | 134.6 | 165.6 | -62.6 | -71 | 0 | 0 | 0 | 114.6 | Q1661 | H1659-Q1661 HydrophobicContact CB-CB 4.34Å; H1659-Q1661 HydrophobicContact CB-CG 3.97Å | ||
| 1660 | H | 28.7 | Very low | 27.3 | Very low | 180 Ų | 180 | 139.8 Ų | 139.8 | 83% | 0.833 | 71% | 0.709 | S | S | * | * | -99.1 | 122 | 76.4 | -87.1 | -80.7 | 0 | 0 | 0 | 108.1 | |||||
| 1661 | Q | 24.2 | Very low | 27.3 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 58% | 0.584 | 71% | 0.707 | S | S | * | * | 59.6 | 88.9 | 65.8 | -84.7 | -176.7 | 9.6 | 0 | 0 | 113.4 | H1659 | H1659-Q1661 HydrophobicContact CB-CB 4.34Å; H1659-Q1661 HydrophobicContact CB-CG 3.97Å | |||
| 1662 | S | 26.2 | Very low | 27.1 | Very low | 104 Ų | 104 | 137.9 Ų | 137.9 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | 42.3 | 87.1 | 124.3 | 59.5 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 1663 | R | 25.4 | Very low | 27.1 | Very low | 222 Ų | 222 | 136.8 Ų | 136.8 | 84% | 0.838 | 72% | 0.715 | S | S | * | * | trans | -157.6 | 110.1 | 130.6 | -103.5 | 156.7 | -176 | -170.8 | 1.9 | 107.3 | ||||
| 1664 | Q | 28.5 | Very low | 27 | Very low | 162 Ų | 162 | 139.8 Ų | 139.8 | 76% | 0.757 | 72% | 0.724 | S | S | * | * | 69.8 | 117.9 | 96.5 | -76.7 | -176 | -46.6 | 0 | 0 | 113.2 | |||||
| 1665 | S | 28.5 | Very low | 27.3 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | trans | 61.8 | 151.4 | 160.4 | 32.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1666 | S | 30.2 | Very low | 27.5 | Very low | 84 Ų | 84 | 132.8 Ų | 132.8 | 59% | 0.587 | 71% | 0.713 | S | S | * | * | cis | -174.2 | 169.4 | -18.4 | 45.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1667 | H | 30.8 | Very low | 27.7 | Very low | 147 Ų | 147 | 134.3 Ų | 134.3 | 68% | 0.681 | 72% | 0.721 | S | S | * | * | trans | 70.6 | 116.1 | 168.4 | -59.7 | -59.4 | 0 | 0 | 0 | 115.3 | ||||
| 1668 | Q | 29.1 | Very low | 27.8 | Very low | 142 Ų | 142 | 131.3 Ų | 131.3 | 66% | 0.664 | 72% | 0.718 | S | S | * | * | 77.1 | 144.4 | 75.2 | -74.2 | 179.3 | 35.6 | 0 | 0 | 112.6 | |||||
| 1669 | R | 27.6 | Very low | 27.9 | Very low | 214 Ų | 214 | 136.4 Ų | 136.4 | 81% | 0.808 | 73% | 0.732 | S | S | * | * | cis | -158.4 | 151.5 | 15.3 | -140.1 | 167 | 179.6 | 168.1 | -1.3 | 112.4 | ||||
| 1670 | A | 29.3 | Very low | 28 | Very low | 92 Ų | 92 | 139.3 Ų | 139.3 | 76% | 0.76 | 75% | 0.746 | S | S | * | * | trans | 62.1 | 149.3 | 148.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1671 | S | 28.1 | Very low | 27.9 | Very low | 101 Ų | 101 | 136.9 Ų | 136.9 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | cis | -165 | 115.7 | -16.8 | 45.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1672 | S | 29.1 | Very low | 28.1 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 84% | 0.839 | 76% | 0.755 | S | S | * | * | 29.2 | 139.5 | 125.4 | 60.3 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 1673 | G | 28.5 | Very low | 28 | Very low | 64 Ų | 64 | 138.1 Ų | 138.1 | 66% | 0.66 | 76% | 0.757 | S | S | * | * | cis | 156.7 | 176.1 | -4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1674 | N | 29 | Very low | 28.1 | Very low | 149 Ų | 149 | 135.6 Ų | 135.6 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | trans | 62.9 | 139.6 | 164.1 | -62.5 | 23.3 | 0 | 0 | 0 | 117.4 | ||||
| 1675 | S | 29.9 | Very low | 28.1 | Very low | 90 Ų | 90 | 135 Ų | 135 | 63% | 0.629 | 76% | 0.756 | S | S | * | * | cis | 69.3 | 152.2 | 38.1 | 99.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1676 | T | 29.1 | Very low | 28 | Very low | 111 Ų | 111 | 137.2 Ų | 137.2 | 68% | 0.681 | 75% | 0.754 | S | S | * | * | cis | -173.1 | 161.5 | 11.6 | 10.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1677 | E | 27.8 | Very low | 27.9 | Very low | 165 Ų | 165 | 143.4 Ų | 143.4 | 77% | 0.771 | 76% | 0.764 | S | S | * | * | cis | 178.3 | 149.8 | -17.5 | 171.4 | 161.6 | -97 | 0 | 0 | 110.5 | ||||
| 1678 | S | 26.6 | Very low | 27.7 | Very low | 101 Ų | 101 | 142.5 Ų | 142.5 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | 61.9 | 130.1 | 164.3 | 71.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 1679 | R | 26.2 | Very low | 27.8 | Very low | 243 Ų | 243 | 144.3 Ų | 144.3 | 92% | 0.917 | 78% | 0.777 | S | S | * | * | 172.6 | 160.5 | 109.8 | -101.5 | -178.2 | 163.9 | 154.6 | -2.7 | 114.2 | |||||
| 1680 | E | 26.1 | Very low | 28 | Very low | 192 Ų | 192 | 140 Ų | 140 | 90% | 0.897 | 77% | 0.769 | S | S | * | * | trans | -84.8 | 151.5 | -178.9 | -57.1 | 169.3 | 114.5 | 0 | 0 | 113.5 | ||||
| 1681 | P | 26.6 | Very low | 27.7 | Very low | 130 Ų | 130 | 139.2 Ų | 139.2 | 84% | 0.844 | 76% | 0.763 | S | S | * | * | trans | -102.7 | 147.9 | 154.1 | 36.1 | -28.4 | 0 | 0 | 0 | 111.8 | ||||
| 1682 | S | 26.8 | Very low | 27.3 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | trans | -126.4 | 157.9 | 168.9 | 65.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1683 | L | 26 | Very low | 27.1 | Very low | 146 Ų | 146 | 139 Ų | 139 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | S | Bend | trans | 71.9 | 119.5 | 178.9 | -56.6 | 173.9 | 0 | 0 | 0 | 117.4 | ||
| 1684 | E | 27.4 | Very low | 26.9 | Very low | 168 Ų | 168 | 140 Ų | 140 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | 42.6 | 97.9 | 132.5 | -59.4 | 176.1 | 123.6 | 0 | 0 | 118.8 | ||||
| 1685 | N | 26.8 | Very low | 26.8 | Very low | 150 Ų | 150 | 138.2 Ų | 138.2 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | -157.7 | 155.7 | 106.6 | -112.4 | -26.4 | 0 | 0 | 0 | 116.1 | |||||
| 1686 | E | 27.2 | Very low | 26.6 | Very low | 164 Ų | 164 | 136.4 Ų | 136.4 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | trans | 34.7 | 104.9 | 153 | -58.5 | -168.6 | 118.1 | 0 | 0 | 120.9 | N1688 | E1686-N1688 PolarHBondContact O-N 2.83Š| ||
| 1687 | R | 28.6 | Very low | 26.4 | Very low | 214 Ų | 214 | 139.1 Ų | 139.1 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | 10.8 | 107.9 | 116.6 | -63 | 172 | 176.3 | 152 | -2.4 | 115.6 | I1690 | R1687-I1690 HydrophobicContact CB-CD1 4.21Å; R1687-I1690 HydrophobicContact CG-CD1 4.25Å | |||
| 1688 | N | 26.8 | Very low | 26.2 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 68% | 0.679 | 77% | 0.766 | S | S | * | * | 167.8 | 88.4 | 120.3 | -80.6 | -22.8 | 0 | 0 | 0 | 109.4 | E1686 I1690 | E1686-N1688 PolarHBondContact O-N 2.83Å; N1688-I1690 WeakPolarHBondContact OD1-CB 3.48Å; N1688-I1690 WeakPolarHBondContact OD1-CD1 3.23Å; N1688-I1690 WeakPolarHBondContact OD1-CG1 3.39Å | |||
| 1689 | L | 29.6 | Very low | 26.1 | Very low | 180 Ų | 180 | 140.1 Ų | 140.1 | 94% | 0.942 | 77% | 0.768 | S | S | * | * | -92.5 | 77.2 | 92.5 | -83.8 | 149.5 | 0 | 0 | 0 | 114.2 | |||||
| 1690 | I | 32 | Very low | 26.1 | Very low | 123 Ų | 123 | 138.1 Ų | 138.1 | 63% | 0.631 | 77% | 0.766 | S | S | * | * | trans | -102.8 | 105.1 | 152 | -59.4 | 177.3 | 0 | 0 | 0 | 105.3 | R1687 N1688 | R1687-I1690 HydrophobicContact CB-CD1 4.21Å; R1687-I1690 HydrophobicContact CG-CD1 4.25Å; N1688-I1690 WeakPolarHBondContact OD1-CB 3.48Å; N1688-I1690 WeakPolarHBondContact OD1-CD1 3.23Å; N1688-I1690 WeakPolarHBondContact OD1-CG1 3.39Å | ||
| 1691 | A | 22.8 | Very low | 26.1 | Very low | 76 Ų | 76 | 132.6 Ų | 132.6 | 63% | 0.628 | 75% | 0.753 | S | S | * | * | trans | -150.4 | 127.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1692 | S | 21.1 | Very low | 26.1 | Very low | 101 Ų | 101 | 135.5 Ų | 135.5 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | trans | 1.5 | 131 | 152.1 | 52.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1693 | S | 24.8 | Very low | 26.1 | Very low | 116 Ų | 116 | 140.1 Ų | 140.1 | 81% | 0.811 | 76% | 0.759 | S | S | * | * | -128 | 105.4 | 54.9 | -172.2 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1694 | S | 22.8 | Very low | 26.3 | Very low | 84 Ų | 84 | 137.1 Ų | 137.1 | 59% | 0.587 | 76% | 0.755 | S | S | * | * | 70.1 | 112.3 | 65.6 | 82.9 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1695 | A | 26.9 | Very low | 26.6 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 93% | 0.934 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -71.3 | 125.5 | 159 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||
| 1696 | G | 26.1 | Very low | 26.9 | Very low | 52 Ų | 52 | 137.6 Ų | 137.6 | 54% | 0.536 | 75% | 0.752 | S | S | . | * | trans | 143.3 | 102.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1697 | L | 26.4 | Very low | 27.1 | Very low | 168 Ų | 168 | 136.2 Ų | 136.2 | 88% | 0.88 | 75% | 0.745 | S | S | * | * | trans | 67.5 | 152.6 | 161.9 | -53.4 | 112.6 | 0 | 0 | 0 | 113.8 | ||||
| 1698 | V | 23.3 | Very low | 27.5 | Very low | 116 Ų | 116 | 133 Ų | 133 | 70% | 0.703 | 74% | 0.739 | S | S | * | * | cis | -149 | 126.3 | 46 | 162.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 1699 | K | 24 | Very low | 27.9 | Very low | 171 Ų | 171 | 133.4 Ų | 133.4 | 74% | 0.743 | 74% | 0.736 | S | S | * | * | trans | 50.4 | 116 | 147.3 | -60.4 | 167.8 | -164.1 | 163 | 0 | 121.2 | ||||
| 1700 | K | 25.4 | Very low | 28.1 | Very low | 200 Ų | 200 | 129.8 Ų | 129.8 | 87% | 0.87 | 72% | 0.715 | S | S | * | * | trans | 72 | 101.8 | 133.4 | -61.7 | 174.6 | 177.2 | -179.2 | 0 | 120.6 | ||||
| 1701 | A | 26.7 | Very low | 28.3 | Very low | 76 Ų | 76 | 131.9 Ų | 131.9 | 63% | 0.628 | 72% | 0.722 | S | S | * | * | trans | -148.4 | 31 | 152.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1702 | K | 26.4 | Very low | 28.8 | Very low | 192 Ų | 192 | 137.7 Ų | 137.7 | 84% | 0.835 | 73% | 0.727 | S | S | * | * | trans | 55.8 | 121 | 158.9 | -67.9 | 176.2 | 177.1 | 173.1 | 0 | 120.8 | ||||
| 1703 | K | 27.1 | Very low | 29.3 | Very low | 205 Ų | 205 | 137.9 Ų | 137.9 | 89% | 0.891 | 73% | 0.728 | S | S | * | * | trans | 71.8 | 144.6 | 152.1 | -60.8 | -176.6 | 174 | -170.4 | 0 | 117 | ||||
| 1704 | A | 30.8 | Very low | 29.6 | Very low | 84 Ų | 84 | 136.6 Ų | 136.6 | 69% | 0.694 | 72% | 0.72 | S | S | * | * | cis | -147.3 | 145.4 | 10.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1705 | H | 33.5 | Very low | 30.1 | Very low | 175 Ų | 175 | 139.9 Ų | 139.9 | 81% | 0.81 | 73% | 0.73 | S | S | * | * | trans | 46.5 | 97.9 | 154.7 | -61.8 | -68.5 | 0 | 0 | 0 | 124.3 | ||||
| 1706 | H | 32 | Very low | 30.4 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 71% | 0.708 | 72% | 0.719 | S | S | * | * | 21.2 | 157.1 | 100.8 | -72.1 | -2.9 | 0 | 0 | 0 | 121.6 | |||||
| 1707 | H | 32.8 | Very low | 30.6 | Very low | 135 Ų | 135 | 143 Ų | 143 | 63% | 0.625 | 73% | 0.726 | S | S | * | * | cis | -158.1 | 151.4 | 9.1 | -115.7 | -10.5 | 0 | 0 | 0 | 110.6 | ||||
| 1708 | H | 35.9 | Very low | 31 | Very low | 145 Ų | 145 | 140.8 Ų | 140.8 | 67% | 0.671 | 73% | 0.725 | S | S | * | * | 63.4 | 164.2 | 83.6 | -92.9 | -4.8 | 0 | 0 | 0 | 116.9 | |||||
| 1709 | H | 34.5 | Very low | 31.2 | Very low | 136 Ų | 136 | 142.8 Ų | 142.8 | 63% | 0.63 | 73% | 0.732 | S | S | * | * | cis | -140.7 | -168.2 | 12.2 | -137.9 | 1.2 | 0 | 0 | 0 | 109.7 | ||||
| 1710 | H | 34.5 | Very low | 31.6 | Very low | 105 Ų | 105 | 143.9 Ų | 143.9 | 49% | 0.486 | 74% | 0.742 | S | S | . | * | cis | -130.8 | -147.5 | 11.7 | -152.7 | 11 | 0 | 0 | 0 | 109.3 | ||||
| 1711 | Q | 35.6 | Very low | 31.7 | Very low | 167 Ų | 167 | 143.1 Ų | 143.1 | 78% | 0.78 | 74% | 0.741 | S | S | * | * | cis | -145.8 | -178.1 | 6.6 | -159.2 | 142 | 15.9 | 0 | 0 | 113.2 | ||||
| 1712 | R | 33.3 | Very low | 32 | Very low | 198 Ų | 198 | 145.3 Ų | 145.3 | 75% | 0.747 | 75% | 0.752 | S | S | * | * | trans | -70.7 | 136.2 | -174.9 | -71.8 | 175.2 | -175.8 | -177 | -2.2 | 112.6 | ||||
| 1713 | S | 31.6 | Very low | 32.1 | Very low | 104 Ų | 104 | 143.6 Ų | 143.6 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | 76.1 | 145.4 | 57.7 | 90.8 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1714 | S | 33.1 | Very low | 32.3 | Very low | 90 Ų | 90 | 141.7 Ų | 141.7 | 63% | 0.629 | 75% | 0.751 | S | S | * | * | cis | -171.5 | 148.4 | 23 | 46.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 1715 | L | 32.6 | Very low | 32.1 | Very low | 153 Ų | 153 | 144.6 Ų | 144.6 | 80% | 0.801 | 75% | 0.754 | S | S | * | * | trans | 64 | 158.4 | 147.5 | -60.4 | 167.6 | 0 | 0 | 0 | 118.7 | ||||
| 1716 | D | 32.5 | Very low | 32.1 | Very low | 131 Ų | 131 | 143.4 Ų | 143.4 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | cis | -145.8 | 179.9 | -1.5 | -137.6 | -36.3 | 0 | 0 | 0 | 114.4 | ||||
| 1717 | S | 31 | Very low | 31.9 | Very low | 98 Ų | 98 | 142.3 Ų | 142.3 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | trans | -97 | 155.8 | -159.8 | -37.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1718 | S | 33.8 | Very low | 31.9 | Very low | 123 Ų | 123 | 143 Ų | 143 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | trans | -176.2 | 151.3 | 134.7 | 29.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1719 | N | 28.9 | Very low | 31.6 | Very low | 157 Ų | 157 | 142.8 Ų | 142.8 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | trans | -99 | 156.6 | -177.5 | -58.9 | -19.5 | 0 | 0 | 0 | 111.9 | ||||
| 1720 | M | 32 | Very low | 31.4 | Very low | 194 Ų | 194 | 142 Ų | 142 | 96% | 0.956 | 78% | 0.775 | S | S | * | * | -157.9 | 145.9 | 124.6 | -116.7 | -179 | -177.3 | 0 | 0 | 112.5 | |||||
| 1721 | E | 28 | Very low | 31.3 | Very low | 184 Ų | 184 | 142.8 Ų | 142.8 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | -95.4 | 151.5 | 175.3 | -59.1 | 162.3 | 112.2 | 0 | 0 | 110.4 | ||||
| 1722 | S | 32.7 | Very low | 31.1 | Very low | 122 Ų | 122 | 138 Ų | 138 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | -170.2 | 142.4 | 142.3 | 14.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1723 | N | 27.7 | Very low | 30.8 | Very low | 156 Ų | 156 | 133.4 Ų | 133.4 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | trans | -77.9 | 153.2 | 170.2 | -58.5 | -66.2 | 0 | 0 | 0 | 110.5 | ||||
| 1724 | L | 31.3 | Very low | 30.7 | Very low | 166 Ų | 166 | 134.8 Ų | 134.8 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | -177 | 153.4 | 115.6 | -98.9 | 162.1 | 0 | 0 | 0 | 113.1 | |||||
| 1725 | N | 27.9 | Very low | 30.5 | Very low | 144 Ų | 144 | 134.9 Ų | 134.9 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | -68.2 | 142.5 | 175.9 | -61.6 | -37.5 | 0 | 0 | 0 | 111.7 | ||||
| 1726 | N | 31.7 | Very low | 30.2 | Very low | 151 Ų | 151 | 135.2 Ų | 135.2 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | -164.9 | 158.5 | 110.5 | -115 | -49.7 | 0 | 0 | 0 | 115.6 | |||||
| 1727 | N | 29 | Very low | 30.1 | Very low | 129 Ų | 129 | 138.6 Ų | 138.6 | 69% | 0.69 | 79% | 0.789 | S | S | * | * | trans | -64.5 | 145.5 | 173.4 | -55.6 | -73.6 | 0 | 0 | 0 | 111.8 | ||||
| 1728 | N | 32.6 | Very low | 29.8 | Very low | 151 Ų | 151 | 137.6 Ų | 137.6 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | -171.1 | 150.9 | 105 | -102.3 | -51.8 | 0 | 0 | 0 | 116.3 | |||||
| 1729 | N | 30.3 | Very low | 29.5 | Very low | 140 Ų | 140 | 139.3 Ų | 139.3 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | trans | -57.3 | 149.4 | 178.2 | -56.8 | -71.2 | 0 | 0 | 0 | 115.3 | ||||
| 1730 | S | 30.4 | Very low | 29.4 | Very low | 118 Ų | 118 | 136 Ų | 136 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | -169.8 | 128.1 | 120.2 | 37.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1731 | P | 31.2 | Very low | 29.1 | Very low | 122 Ų | 122 | 134 Ų | 134 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | trans | -106.7 | 155.1 | 172.2 | 37.6 | -31.6 | 0 | 0 | 0 | 113.6 | ||||
| 1732 | G | 31.8 | Very low | 29 | Very low | 67 Ų | 67 | 131.4 Ų | 131.4 | 69% | 0.691 | 77% | 0.765 | S | S | * | * | trans | -144.2 | 128.9 | 160.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1733 | S | 27.6 | Very low | 28.7 | Very low | 101 Ų | 101 | 135 Ų | 135 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | 62.1 | 116.2 | 63.9 | -162.4 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 1734 | V | 29 | Very low | 28.7 | Very low | 134 Ų | 134 | 131.1 Ų | 131.1 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | -141.1 | 114.9 | 67.1 | 163.4 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 1735 | T | 28.8 | Very low | 28.5 | Very low | 91 Ų | 91 | 127.4 Ų | 127.4 | 56% | 0.558 | 75% | 0.753 | S | S | * | * | 85.7 | 117.4 | 88.9 | -50 | 0 | 0 | 0 | 0 | 115.3 | Y1737 | T1735-Y1737 HydrophobicContact CG2-CD2 3.75Å; T1735-Y1737 HydrophobicContact CG2-CE2 3.74Å | |||
| 1736 | I | 26.9 | Very low | 28.4 | Very low | 160 Ų | 160 | 123.9 Ų | 123.9 | 82% | 0.821 | 74% | 0.739 | S | S | * | * | trans | -81.2 | 135.2 | 169.4 | -62.2 | 164.2 | 0 | 0 | 0 | 109.8 | ||||
| 1737 | Y | 29.5 | Very low | 28.1 | Very low | 202 Ų | 202 | 126.3 Ų | 126.3 | 79% | 0.792 | 74% | 0.737 | S | S | * | * | trans | -134.6 | 114.3 | 162.1 | -98.1 | -75.1 | 0 | 0 | 0 | 112.9 | T1735 | T1735-Y1737 HydrophobicContact CG2-CD2 3.75Å; T1735-Y1737 HydrophobicContact CG2-CE2 3.74Å | ||
| 1738 | S | 24.3 | Very low | 28.1 | Very low | 77 Ų | 77 | 128 Ų | 128 | 54% | 0.538 | 74% | 0.741 | S | S | . | * | trans | -81.6 | 131 | 157.7 | 59.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1739 | I | 28.2 | Very low | 27.7 | Very low | 159 Ų | 159 | 125.6 Ų | 125.6 | 82% | 0.815 | 74% | 0.736 | S | S | * | * | trans | -159.7 | 153.5 | 154.1 | -107.4 | 150.1 | 0 | 0 | 0 | 110.4 | ||||
| 1740 | S | 26 | Very low | 27.5 | Very low | 89 Ų | 89 | 130.3 Ų | 130.3 | 62% | 0.622 | 74% | 0.743 | S | S | * | * | trans | -83 | 161.2 | -171.5 | 50.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1741 | D | 25.7 | Very low | 27.5 | Very low | 152 Ų | 152 | 137 Ų | 137 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | trans | 40.1 | 109.6 | 146.4 | -53.3 | -33.9 | 0 | 0 | 0 | 119.8 | ||||
| 1742 | S | 26.6 | Very low | 27.3 | Very low | 128 Ų | 128 | 137.8 Ų | 137.8 | 90% | 0.895 | 75% | 0.748 | S | S | * | * | -176.2 | 166.1 | 121.2 | 36.4 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1743 | Q | 26.6 | Very low | 27.1 | Very low | 199 Ų | 199 | 141.5 Ų | 141.5 | 93% | 0.93 | 75% | 0.751 | S | S | * | * | trans | -70.6 | 149.7 | -175.8 | -53.1 | 167.9 | -2.8 | 0 | 0 | 112.7 | ||||
| 1744 | G | 26.8 | Very low | 27 | Very low | 73 Ų | 73 | 143.8 Ų | 143.8 | 75% | 0.753 | 75% | 0.754 | S | S | * | * | trans | 169.6 | 82.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1745 | S | 27 | Very low | 26.9 | Very low | 88 Ų | 88 | 144.4 Ų | 144.4 | 62% | 0.615 | 75% | 0.75 | S | S | * | * | trans | 36.2 | 101.9 | 140 | -175.9 | 0 | 0 | 0 | 0 | 121.7 | R984 | R984-S1745 PolarHBondContact NH1-OG 3.02Š| ||
| 1746 | S | 26.7 | Very low | 26.8 | Very low | 70 Ų | 70 | 147.7 Ų | 147.7 | 49% | 0.49 | 76% | 0.762 | S | S | . | * | trans | 17.9 | 126.4 | 138.5 | 68.7 | 0 | 0 | 0 | 0 | 121.1 | R984 | R984-S1746 PolarHBondContact NH1-OG 2.95Š| ||
| 1747 | R | 25.6 | Very low | 26.8 | Very low | 202 Ų | 202 | 146.9 Ų | 146.9 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | 178.2 | 145.4 | 102.2 | -100.4 | -179.7 | -178.7 | -176.7 | 3 | 114.1 | |||||
| 1748 | H | 29.5 | Very low | 26.6 | Very low | 166 Ų | 166 | 142.9 Ų | 142.9 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | trans | 65.2 | 157 | 162.8 | -53.2 | -42.4 | 0 | 0 | 0 | 117.4 | ||||
| 1749 | S | 24.3 | Very low | 26.8 | Very low | 100 Ų | 100 | 148 Ų | 148 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | cis | -180 | 132.9 | -30.6 | 177.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1750 | R | 24.9 | Very low | 26.7 | Very low | 238 Ų | 238 | 147.1 Ų | 147.1 | 90% | 0.898 | 77% | 0.769 | S | S | * | * | trans | 116.5 | 69.7 | 169.4 | -65.6 | 173.6 | 171.2 | -170.1 | -1.8 | 117.1 | ||||
| 1751 | R | 30.6 | Very low | 26.8 | Very low | 260 Ų | 260 | 152.4 Ų | 152.4 | 98% | 0.981 | 78% | 0.782 | S | S | * | * | -151.5 | 0 | 108.2 | -108.3 | 174.2 | -177.7 | 179 | 1 | 108 | M1145 | M1145-R1751 HydrophobicContact CE-CB 3.88Å; M1145-R1751 HydrophobicContact CE-CG 4.17Å |
Retrieved 1,751 of 1,751 residues in 2949.4 ms
(Link to these results)