| 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 | 46.8 | Very low | 75.1 | Confident | 218 Ų | 218 | 69.5 Ų | 69.5 | 100% | 1.074 | 36% | 0.363 | S | S | * | . | 0 | 109.7 | 0 | -78.8 | 164.2 | 169 | 0 | 0 | 106.5 | |||||
| 2 | G | 55.8 | Low | 76.1 | Confident | 33 Ų | 33 | 67.3 Ų | 67.3 | 34% | 0.34 | 35% | 0.352 | S | S | . | . | trans | -82.6 | 143.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 3 | D | 75.1 | Confident | 77 | Confident | 76 Ų | 76 | 73.5 Ų | 73.5 | 41% | 0.406 | 37% | 0.374 | S | S | . | . | trans | -55.5 | 130.5 | 173.6 | -179.1 | -10.5 | 0 | 0 | 0 | 109.4 | I5 Q6 L7 | D3-I5 PolarHBondContact O-N 3.23Å; D3-I5 PolarHBondContact OD1-N 3.31Å; D3-I5 VanDerWaalsContact OD1-N 3.15Å; D3-Q6 HydrophobicContact CB-CB 4.33Å; D3-Q6 HydrophobicContact CB-CG 4.01Å; D3-Q6 WeakPolarHBondContact O-CA 3.4Å; D3-Q6 WeakPolarHBondContact O-CB 3.49Å; D3-Q6 PolarHBondContact O-N 3.04Å; D3-L7 PolarHBondContact O-N 2.92Å; D3-L7 VanDerWaalsContact O-N 3.12Å | ||
| 4 | P | 72.4 | Confident | 77.6 | Confident | 27 Ų | 27 | 72.3 Ų | 72.3 | 18% | 0.175 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -49.4 | -29.6 | 177.2 | -29 | 33.6 | 0 | 0 | 0 | 114.2 | K8 E33 C34 M39 | P4-K8 WeakPolarHBondContact O-CB 3.46Å; P4-K8 PolarHBondContact O-N 3.38Å; P4-K8 VanDerWaalsContact O-N 3.1Å; P4-E33 HydrophobicContact CG-CB 3.94Å; P4-C34 HydrophobicContact CB-CB 4.05Å; P4-C34 HydrophobicContact CG-CB 4.46Å; P4-M39 HydrophobicContact CB-SD 4.42Å |
| 5 | I | 77.6 | Confident | 78.2 | Confident | 70 Ų | 70 | 70.6 Ų | 70.6 | 36% | 0.359 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68.8 | -43.8 | 176.6 | -59.8 | 173.8 | 0 | 0 | 0 | 110.8 | D3 K8 D9 M39 | D3-I5 PolarHBondContact O-N 3.23Å; D3-I5 PolarHBondContact OD1-N 3.31Å; D3-I5 VanDerWaalsContact OD1-N 3.15Å; I5-K8 PolarHBondContact O-N 2.98Å; I5-D9 PolarHBondContact O-N 3.36Å; I5-M39 HydrophobicContact CD1-CE 4.08Å; I5-M39 HydrophobicContact CG1-CE 3.72Å; I5-M39 HydrophobicContact CG1-SD 3.98Å |
| 6 | Q | 80.8 | Confident | 78.7 | Confident | 114 Ų | 114 | 76.5 Ų | 76.5 | 53% | 0.533 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.6 | -44.3 | 177.8 | -68.2 | 177.6 | -10.6 | 0 | 0 | 111.3 | D3 K8 D9 E10 | D3-Q6 HydrophobicContact CB-CB 4.33Å; D3-Q6 HydrophobicContact CB-CG 4.01Å; D3-Q6 WeakPolarHBondContact O-CA 3.4Å; D3-Q6 WeakPolarHBondContact O-CB 3.49Å; D3-Q6 PolarHBondContact O-N 3.04Å; Q6-K8 PolarHBondContact O-N 3.1Å; Q6-D9 PolarHBondContact O-N 3.27Å; Q6-E10 WeakPolarHBondContact O-CB 3.41Å; Q6-E10 WeakPolarHBondContact O-CG 3.27Å; Q6-E10 PolarHBondContact O-N 3.3Å |
| 7 | L | 81.1 | Confident | 79 | Confident | 30 Ų | 30 | 76.3 Ų | 76.3 | 16% | 0.157 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.7 | -36.9 | 178.3 | -70.9 | 170.3 | 0 | 0 | 0 | 112.8 | D3 G11 A30 | D3-L7 PolarHBondContact O-N 2.92Å; D3-L7 VanDerWaalsContact O-N 3.12Å; L7-G11 PolarHBondContact O-N 2.99Å; L7-A30 HydrophobicContact CB-CB 3.81Å |
| 8 | K | 82.9 | Confident | 79.1 | Confident | 40 Ų | 40 | 74.7 Ų | 74.7 | 17% | 0.174 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 172.8 | 177.4 | -151.2 | 72.9 | -170.7 | 0 | 111.2 | P4 I5 Q6 G11 N12 Y27 I43 | P4-K8 WeakPolarHBondContact O-CB 3.46Å; P4-K8 PolarHBondContact O-N 3.38Å; P4-K8 VanDerWaalsContact O-N 3.1Å; I5-K8 PolarHBondContact O-N 2.98Å; Q6-K8 PolarHBondContact O-N 3.1Å; K8-G11 PolarHBondContact O-N 3.26Å; K8-N12 VanDerWaalsContact O-CG 3.3Å; K8-N12 PolarHBondContact O-N 3.11Å; K8-N12 PolarHBondContact O-ND2 3.21Å; K8-Y27 HydrophobicContact CG-CE1 4.38Å; K8-I43 HydrophobicContact CB-CG1 4.36Å; K8-I43 HydrophobicContact CD-CG1 4.4Å; K8-I43 HydrophobicContact CG-CG1 4.05Å |
| 9 | D | 85.3 | Confident | 79.5 | Confident | 67 Ų | 67 | 74.7 Ų | 74.7 | 36% | 0.358 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -72.2 | -33.1 | -179.7 | -69.5 | -20.8 | 0 | 0 | 0 | 112.4 | I5 Q6 N12 K13 | I5-D9 PolarHBondContact O-N 3.36Å; Q6-D9 PolarHBondContact O-N 3.27Å; D9-N12 WeakPolarHBondContact O-CB 3.46Å; D9-N12 PolarHBondContact O-N 3.14Å; D9-N12 PolarHBondContact OD1-ND2 2.8Å; D9-K13 WeakPolarHBondContact O-CG 3.34Å; D9-K13 PolarHBondContact O-N 2.99Å |
| 10 | E | 83.3 | Confident | 79.9 | Confident | 90 Ų | 90 | 72.4 Ų | 72.4 | 42% | 0.421 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.3 | -45 | 166.7 | -75.5 | 178.9 | 173.3 | 0 | 0 | 111.7 | Q6 N12 K13 H14 | Q6-E10 WeakPolarHBondContact O-CB 3.41Å; Q6-E10 WeakPolarHBondContact O-CG 3.27Å; Q6-E10 PolarHBondContact O-N 3.3Å; E10-N12 VanDerWaalsContact C-N 3.27Å; E10-N12 PolarHBondContact O-N 3.19Å; E10-K13 PolarHBondContact O-N 2.73Å; E10-K13 VanDerWaalsContact O-N 3.14Å; E10-H14 PolarHBondContact O-CD2 3.23Å; E10-H14 VanDerWaalsContact O-CD2 3.22Å; E10-H14 PolarHBondContact O-N 3.19Å |
| 11 | G | 84.8 | Confident | 80.2 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -58.2 | -38.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L7 K8 F15 Y27 | L7-G11 PolarHBondContact O-N 2.99Å; K8-G11 PolarHBondContact O-N 3.26Å; G11-F15 VanDerWaalsContact O-CB 3.3Å; G11-F15 WeakPolarHBondContact O-CB 3.34Å; G11-F15 PolarHBondContact O-N 2.81Å; G11-Y27 VanDerWaalsContact C-CZ 3.41Å; G11-Y27 PolarHBondContact O-OH 3.49Å |
| 12 | N | 87.4 | Confident | 82 | Confident | 43 Ų | 43 | 68.6 Ų | 68.6 | 23% | 0.23 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.4 | -43.1 | 174.6 | -71.4 | -35.4 | 0 | 0 | 0 | 111.5 | K8 D9 E10 F15 Q16 Y27 N46 | K8-N12 VanDerWaalsContact O-CG 3.3Å; K8-N12 PolarHBondContact O-N 3.11Å; K8-N12 PolarHBondContact O-ND2 3.21Å; D9-N12 WeakPolarHBondContact O-CB 3.46Å; D9-N12 PolarHBondContact O-N 3.14Å; D9-N12 PolarHBondContact OD1-ND2 2.8Å; E10-N12 VanDerWaalsContact C-N 3.27Å; E10-N12 PolarHBondContact O-N 3.19Å; N12-F15 PolarHBondContact O-N 3.28Å; N12-Q16 WeakPolarHBondContact O-CG 3.34Å; N12-Q16 PolarHBondContact O-N 3.24Å; N12-Y27 VanDerWaalsContact CA-OH 3.26Å; N12-Y27 WeakPolarHBondContact CA-OH 3.48Å; N12-Y27 PolarHBondContact N-OH 3.09Å; N12-Y27 VanDerWaalsContact N-OH 3.15Å; N12-Y27 PolarHBondContact OD1-OH 2.87Å; N12-N46 PolarHBondContact OD1-ND2 3.31Å; N12-N46 VanDerWaalsContact OD1-ND2 3.11Å |
| 13 | K | 87.5 | Confident | 83.4 | Confident | 147 Ų | 147 | 67 Ų | 67 | 64% | 0.639 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -62.8 | -45.9 | 176.2 | -73.7 | 175 | -177 | 175.4 | 0 | 111.6 | D9 E10 F15 Q16 A17 | D9-K13 WeakPolarHBondContact O-CG 3.34Å; D9-K13 PolarHBondContact O-N 2.99Å; E10-K13 PolarHBondContact O-N 2.73Å; E10-K13 VanDerWaalsContact O-N 3.14Å; K13-F15 VanDerWaalsContact C-N 3.34Å; K13-F15 PolarHBondContact O-N 3.13Å; K13-Q16 PolarHBondContact O-N 3.26Å; K13-A17 WeakPolarHBondContact O-CB 3.3Å; K13-A17 PolarHBondContact O-N 3.11Å |
| 14 | H | 86.2 | Confident | 84 | Confident | 57 Ų | 57 | 64.2 Ų | 64.2 | 26% | 0.264 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 175.9 | -76.6 | -62.1 | 0 | 0 | 0 | 112.2 | E10 Q16 A17 G18 D19 A23 | E10-H14 PolarHBondContact O-CD2 3.23Å; E10-H14 VanDerWaalsContact O-CD2 3.22Å; E10-H14 PolarHBondContact O-N 3.19Å; H14-Q16 VanDerWaalsContact C-N 3.32Å; H14-Q16 PolarHBondContact O-N 3.42Å; H14-A17 PolarHBondContact O-N 3.14Å; H14-G18 PolarHBondContact O-N 2.95Å; H14-G18 VanDerWaalsContact O-N 3.1Å; H14-D19 HydrophobicContact CB-CB 4.34Å; H14-D19 IonicContact ND1-OD2 2.75Å; H14-D19 PolarHBondContact O-N 2.68Å; H14-A23 HydrophobicContact CB-CB 3.96Å |
| 15 | F | 86.6 | Confident | 84.7 | Confident | 47 Ų | 47 | 68.8 Ų | 68.8 | 21% | 0.206 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.9 | -34.8 | 175.2 | -175.8 | -103.4 | 0 | 0 | 0 | 113.1 | G11 N12 K13 I20 A23 A49 C50 K53 | G11-F15 VanDerWaalsContact O-CB 3.3Å; G11-F15 WeakPolarHBondContact O-CB 3.34Å; G11-F15 PolarHBondContact O-N 2.81Å; N12-F15 PolarHBondContact O-N 3.28Å; K13-F15 VanDerWaalsContact C-N 3.34Å; K13-F15 PolarHBondContact O-N 3.13Å; F15-I20 HydrophobicContact CD2-CD1 3.73Å; F15-I20 HydrophobicContact CE2-CD1 3.94Å; F15-A23 HydrophobicContact CB-CB 4.1Å; F15-A49 HydrophobicContact CE2-CB 4.36Å; F15-A49 HydrophobicContact CZ-CB 4.01Å; F15-C50 HydrophobicContact CD2-CB 4.46Å; F15-C50 WeakPolarHBondContact CD2-SG 3.43Å; F15-C50 HydrophobicContact CE2-CB 4.44Å; F15-K53 HydrophobicContact CE2-CD 3.69Å; F15-K53 HydrophobicContact CE2-CG 4.49Å; F15-K53 HydrophobicContact CZ-CD 3.86Å; F15-K53 VanDerWaalsContact CZ-CE 3.48Å |
| 16 | Q | 84.9 | Confident | 85.1 | Confident | 165 Ų | 165 | 66.4 Ų | 66.4 | 77% | 0.771 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -73.1 | -36.5 | 173.8 | -72.9 | 177.3 | 10.9 | 0 | 0 | 112.2 | N12 K13 H14 G18 | N12-Q16 WeakPolarHBondContact O-CG 3.34Å; N12-Q16 PolarHBondContact O-N 3.24Å; K13-Q16 PolarHBondContact O-N 3.26Å; H14-Q16 VanDerWaalsContact C-N 3.32Å; H14-Q16 PolarHBondContact O-N 3.42Å; Q16-G18 PolarHBondContact O-N 2.64Å |
| 17 | A | 84.6 | Confident | 85.4 | Confident | 73 Ų | 73 | 61 Ų | 61 | 60% | 0.603 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -71.3 | -10.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | K13 H14 | K13-A17 WeakPolarHBondContact O-CB 3.3Å; K13-A17 PolarHBondContact O-N 3.11Å; H14-A17 PolarHBondContact O-N 3.14Å |
| 18 | G | 80.5 | Confident | 85.8 | Confident | 48 Ų | 48 | 61.4 Ų | 61.4 | 50% | 0.495 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | -1.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | H14 Q16 I20 | H14-G18 PolarHBondContact O-N 2.95Å; H14-G18 VanDerWaalsContact O-N 3.1Å; Q16-G18 PolarHBondContact O-N 2.64Å; G18-I20 VanDerWaalsContact C-N 3.33Å; G18-I20 PolarHBondContact O-N 3.08Å |
| 19 | D | 87.5 | Confident | 85.9 | Confident | 74 Ų | 74 | 62.2 Ų | 62.2 | 40% | 0.396 | 33% | 0.328 | S | S | . | . | trans | -79 | 75.6 | 177.3 | -73.5 | -24.7 | 0 | 0 | 0 | 111.1 | H14 D21 K22 A23 | H14-D19 HydrophobicContact CB-CB 4.34Å; H14-D19 IonicContact ND1-OD2 2.75Å; H14-D19 PolarHBondContact O-N 2.68Å; D19-D21 PolarHBondContact O-N 3.14Å; D19-K22 HydrophobicContact CB-CB 4.32Å; D19-K22 HydrophobicContact CB-CD 4.4Å; D19-A23 WeakPolarHBondContact O-CB 3.32Å; D19-A23 PolarHBondContact O-N 3.31Å | ||
| 20 | I | 86.8 | Confident | 85.8 | Confident | 28 Ų | 28 | 59 Ų | 59 | 14% | 0.144 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64 | -38.5 | -172.2 | -54.6 | -55.3 | 0 | 0 | 0 | 113 | F15 G18 A23 I24 C50 K53 K54 | F15-I20 HydrophobicContact CD2-CD1 3.73Å; F15-I20 HydrophobicContact CE2-CD1 3.94Å; G18-I20 VanDerWaalsContact C-N 3.33Å; G18-I20 PolarHBondContact O-N 3.08Å; I20-A23 WeakPolarHBondContact O-CB 3.23Å; I20-A23 PolarHBondContact O-N 2.9Å; I20-I24 HydrophobicContact CG2-CD1 4.03Å; I20-I24 WeakPolarHBondContact O-CG1 3.49Å; I20-I24 PolarHBondContact O-N 3.24Å; I20-C50 HydrophobicContact CG2-CB 3.85Å; I20-C50 WeakPolarHBondContact CG2-O 3.26Å; I20-K53 HydrophobicContact CD1-CB 4.44Å; I20-K53 HydrophobicContact CD1-CD 3.75Å; I20-K54 HydrophobicContact CG2-CB 4.47Å |
| 21 | D | 85.8 | Confident | 85.9 | Confident | 97 Ų | 97 | 55.6 Ų | 55.6 | 52% | 0.519 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68.4 | -44.3 | -178 | -73.3 | -46 | 0 | 0 | 0 | 112.6 | D19 A23 I24 E25 K54 | D19-D21 PolarHBondContact O-N 3.14Å; D21-A23 VanDerWaalsContact C-N 3.3Å; D21-A23 PolarHBondContact O-N 3.12Å; D21-I24 PolarHBondContact O-N 2.8Å; D21-E25 PolarHBondContact O-N 2.8Å; D21-K54 WeakPolarHBondContact OD1-CE 3.48Å; D21-K54 IonicContact OD1-NZ 2.74Å; D21-K54 PolarHBondContact OD1-NZ 2.97Å |
| 22 | K | 84.2 | Confident | 85.8 | Confident | 115 Ų | 115 | 62.7 Ų | 62.7 | 50% | 0.5 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64 | -38.3 | 173.9 | -66.6 | -179.6 | -177.7 | 169.7 | 0 | 110.9 | D19 I24 E25 C26 | D19-K22 HydrophobicContact CB-CB 4.32Å; D19-K22 HydrophobicContact CB-CD 4.4Å; K22-I24 PolarHBondContact O-N 2.91Å; K22-E25 PolarHBondContact O-N 3.47Å; K22-C26 WeakPolarHBondContact O-CB 3.25Å; K22-C26 PolarHBondContact O-N 3.32Å; K22-C26 PolarHBondContact O-SG 3.29Å |
| 23 | A | 85.6 | Confident | 85.4 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | H14 F15 D19 I20 D21 E25 C26 Y27 | H14-A23 HydrophobicContact CB-CB 3.96Å; F15-A23 HydrophobicContact CB-CB 4.1Å; D19-A23 WeakPolarHBondContact O-CB 3.32Å; D19-A23 PolarHBondContact O-N 3.31Å; I20-A23 WeakPolarHBondContact O-CB 3.23Å; I20-A23 PolarHBondContact O-N 2.9Å; D21-A23 VanDerWaalsContact C-N 3.3Å; D21-A23 PolarHBondContact O-N 3.12Å; A23-E25 VanDerWaalsContact C-N 3.33Å; A23-E25 PolarHBondContact O-N 3.34Å; A23-C26 PolarHBondContact O-N 3.23Å; A23-Y27 HydrophobicContact CB-CD2 4.44Å; A23-Y27 HydrophobicContact CB-CE2 4.09Å; A23-Y27 WeakPolarHBondContact O-CB 3.35Å; A23-Y27 WeakPolarHBondContact O-CD2 3.23Å; A23-Y27 PolarHBondContact O-N 3.15Å |
| 24 | I | 88 | Confident | 84.9 | Confident | 17 Ų | 17 | 58.4 Ų | 58.4 | 9% | 0.087 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 176.3 | -69.3 | 164.5 | 0 | 0 | 0 | 111.1 | I20 D21 K22 Y27 T28 R47 C50 Y51 K54 | I20-I24 HydrophobicContact CG2-CD1 4.03Å; I20-I24 WeakPolarHBondContact O-CG1 3.49Å; I20-I24 PolarHBondContact O-N 3.24Å; D21-I24 PolarHBondContact O-N 2.8Å; K22-I24 PolarHBondContact O-N 2.91Å; I24-Y27 PolarHBondContact O-N 3.08Å; I24-T28 VanDerWaalsContact O-CB 3.25Å; I24-T28 WeakPolarHBondContact O-CB 3.37Å; I24-T28 PolarHBondContact O-N 3.12Å; I24-T28 PolarHBondContact O-OG1 3.41Å; I24-R47 HydrophobicContact CG2-CG 4.44Å; I24-C50 HydrophobicContact CD1-CB 3.94Å; I24-C50 HydrophobicContact CG1-CB 3.45Å; I24-C50 VanDerWaalsContact CG1-CB 3.45Å; I24-Y51 HydrophobicContact CD1-CD1 3.9Å; I24-Y51 HydrophobicContact CD1-CE1 3.82Å; I24-Y51 HydrophobicContact CG1-CE1 4.34Å; I24-Y51 HydrophobicContact CG2-CE1 3.97Å; I24-K54 HydrophobicContact CD1-CD 4.11Å |
| 25 | E | 87.2 | Confident | 84.3 | Confident | 123 Ų | 123 | 62.1 Ų | 62.1 | 58% | 0.575 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64.2 | -48.4 | 177.6 | -169.3 | 175.6 | -175.9 | 0 | 0 | 111.4 | D21 K22 A23 Y27 T28 N29 | D21-E25 PolarHBondContact O-N 2.8Å; K22-E25 PolarHBondContact O-N 3.47Å; A23-E25 VanDerWaalsContact C-N 3.33Å; A23-E25 PolarHBondContact O-N 3.34Å; E25-Y27 PolarHBondContact O-N 3.48Å; E25-T28 PolarHBondContact O-N 2.94Å; E25-N29 WeakPolarHBondContact O-CB 3.43Å; E25-N29 PolarHBondContact O-N 3.43Å; E25-N29 PolarHBondContact O-ND2 3.32Å |
| 26 | C | 86 | Confident | 84 | Confident | 20 Ų | 20 | 63.7 Ų | 63.7 | 14% | 0.135 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -57.6 | -46.3 | 174.4 | -68.7 | 0 | 0 | 0 | 0 | 112.1 | K22 A23 T28 N29 A30 | K22-C26 WeakPolarHBondContact O-CB 3.25Å; K22-C26 PolarHBondContact O-N 3.32Å; K22-C26 PolarHBondContact O-SG 3.29Å; A23-C26 PolarHBondContact O-N 3.23Å; C26-T28 PolarHBondContact O-N 3.35Å; C26-N29 PolarHBondContact O-N 2.86Å; C26-A30 VanDerWaalsContact O-CB 3.31Å; C26-A30 WeakPolarHBondContact O-CB 2.92Å; C26-A30 PolarHBondContact O-N 2.92Å |
| 27 | Y | 88 | Confident | 83.7 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 0% | 0.004 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.5 | -33.5 | 176.7 | -68.6 | -50.5 | 0 | 0 | 0 | 113.1 | K8 G11 N12 A23 I24 E25 A30 L31 I43 N46 R47 C50 | K8-Y27 HydrophobicContact CG-CE1 4.38Å; G11-Y27 VanDerWaalsContact C-CZ 3.41Å; G11-Y27 PolarHBondContact O-OH 3.49Å; N12-Y27 VanDerWaalsContact CA-OH 3.26Å; N12-Y27 WeakPolarHBondContact CA-OH 3.48Å; N12-Y27 PolarHBondContact N-OH 3.09Å; N12-Y27 VanDerWaalsContact N-OH 3.15Å; N12-Y27 PolarHBondContact OD1-OH 2.87Å; A23-Y27 HydrophobicContact CB-CD2 4.44Å; A23-Y27 HydrophobicContact CB-CE2 4.09Å; A23-Y27 WeakPolarHBondContact O-CB 3.35Å; A23-Y27 WeakPolarHBondContact O-CD2 3.23Å; A23-Y27 PolarHBondContact O-N 3.15Å; I24-Y27 PolarHBondContact O-N 3.08Å; E25-Y27 PolarHBondContact O-N 3.48Å; Y27-A30 PolarHBondContact O-N 3.5Å; Y27-L31 WeakPolarHBondContact O-CG 3.29Å; Y27-L31 PolarHBondContact O-N 2.95Å; Y27-I43 HydrophobicContact CD1-CG2 3.89Å; Y27-I43 HydrophobicContact CG-CG2 4.24Å; Y27-I43 WeakPolarHBondContact O-CG2 3.5Å; Y27-N46 HydrophobicContact CE1-CB 3.92Å; Y27-N46 HydrophobicContact CE2-CB 4.23Å; Y27-R47 HydrophobicContact CD2-CB 4.28Å; Y27-R47 HydrophobicContact CG-CB 4.37Å; Y27-C50 VanDerWaalsContact CE2-SG 3.56Å |
| 28 | T | 88.1 | Confident | 83.3 | Confident | 37 Ų | 37 | 66.5 Ų | 66.5 | 23% | 0.227 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -71.4 | -38.8 | 177.9 | -60 | 0 | 0 | 0 | 0 | 111.2 | I24 E25 C26 L31 K32 R47 | I24-T28 VanDerWaalsContact O-CB 3.25Å; I24-T28 WeakPolarHBondContact O-CB 3.37Å; I24-T28 PolarHBondContact O-N 3.12Å; I24-T28 PolarHBondContact O-OG1 3.41Å; E25-T28 PolarHBondContact O-N 2.94Å; C26-T28 PolarHBondContact O-N 3.35Å; T28-L31 PolarHBondContact O-N 3.24Å; T28-K32 WeakPolarHBondContact O-CG 3.29Å; T28-K32 PolarHBondContact O-N 3.28Å; T28-R47 WeakPolarHBondContact OG1-CD 3.4Å; T28-R47 PolarHBondContact OG1-NH1 3.4Å |
| 29 | N | 85.6 | Confident | 83.2 | Confident | 57 Ų | 57 | 66.4 Ų | 66.4 | 31% | 0.305 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -68.7 | -38.8 | 172.5 | -67.9 | -23 | 0 | 0 | 0 | 111 | E25 C26 L31 K32 E33 | E25-N29 WeakPolarHBondContact O-CB 3.43Å; E25-N29 PolarHBondContact O-N 3.43Å; E25-N29 PolarHBondContact O-ND2 3.32Å; C26-N29 PolarHBondContact O-N 2.86Å; N29-L31 VanDerWaalsContact C-N 3.3Å; N29-L31 PolarHBondContact O-N 2.96Å; N29-K32 PolarHBondContact O-N 3Å; N29-K32 VanDerWaalsContact O-N 3.16Å; N29-E33 PolarHBondContact O-N 2.93Å |
| 30 | A | 83.7 | Confident | 83 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.3 | -37.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L7 C26 Y27 K32 C34 I43 | L7-A30 HydrophobicContact CB-CB 3.81Å; C26-A30 VanDerWaalsContact O-CB 3.31Å; C26-A30 WeakPolarHBondContact O-CB 2.92Å; C26-A30 PolarHBondContact O-N 2.92Å; Y27-A30 PolarHBondContact O-N 3.5Å; A30-K32 VanDerWaalsContact C-N 3.35Å; A30-C34 WeakPolarHBondContact O-CB 3.49Å; A30-C34 PolarHBondContact O-N 2.67Å; A30-I43 HydrophobicContact CB-CD1 4.06Å; A30-I43 HydrophobicContact CB-CG2 4.42Å |
| 31 | L | 85 | Confident | 82.9 | Confident | 18 Ų | 18 | 63.9 Ų | 63.9 | 9% | 0.094 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.8 | -27.1 | 176.2 | -77.6 | 164.9 | 0 | 0 | 0 | 113.9 | Y27 T28 N29 Q40 I43 Y44 | Y27-L31 WeakPolarHBondContact O-CG 3.29Å; Y27-L31 PolarHBondContact O-N 2.95Å; T28-L31 PolarHBondContact O-N 3.24Å; N29-L31 VanDerWaalsContact C-N 3.3Å; N29-L31 PolarHBondContact O-N 2.96Å; L31-Q40 HydrophobicContact CD2-CB 4.15Å; L31-Q40 HydrophobicContact CD2-CG 4.2Å; L31-I43 HydrophobicContact CD1-CG2 3.99Å; L31-I43 HydrophobicContact CD2-CB 3.87Å; L31-I43 HydrophobicContact CD2-CD1 4.5Å; L31-I43 HydrophobicContact CD2-CG2 3.89Å; L31-I43 HydrophobicContact CG-CB 4.11Å; L31-I43 HydrophobicContact CG-CG2 3.54Å; L31-Y44 HydrophobicContact CD1-CD1 3.64Å; L31-Y44 HydrophobicContact CD1-CE1 3.45Å; L31-Y44 VanDerWaalsContact CD1-CE1 3.45Å; L31-Y44 HydrophobicContact CD1-CG 4.39Å; L31-Y44 HydrophobicContact CD2-CD1 4.11Å; L31-Y44 HydrophobicContact CD2-CD2 3.99Å; L31-Y44 HydrophobicContact CD2-CE1 3.87Å; L31-Y44 HydrophobicContact CD2-CE2 3.76Å; L31-Y44 HydrophobicContact CD2-CG 4.14Å; L31-Y44 HydrophobicContact CG-CE1 4.26Å |
| 32 | K | 82.7 | Confident | 82.9 | Confident | 149 Ų | 149 | 61.7 Ų | 61.7 | 65% | 0.648 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -72.7 | -38.2 | 177.3 | -72.2 | 173.9 | -176.8 | 170.8 | 0 | 112.1 | T28 N29 A30 | T28-K32 WeakPolarHBondContact O-CG 3.29Å; T28-K32 PolarHBondContact O-N 3.28Å; N29-K32 PolarHBondContact O-N 3Å; N29-K32 VanDerWaalsContact O-N 3.16Å; A30-K32 VanDerWaalsContact C-N 3.35Å |
| 33 | E | 79.4 | Confident | 83 | Confident | 93 Ų | 93 | 56.2 Ų | 56.2 | 44% | 0.435 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -91.1 | -16.6 | -176 | -59.5 | -63.3 | 141.7 | 0 | 0 | 112.9 | P4 N29 | P4-E33 HydrophobicContact CG-CB 3.94Å; N29-E33 PolarHBondContact O-N 2.93Å |
| 34 | C | 77.7 | Confident | 83.1 | Confident | 7 Ų | 7 | 58.3 Ų | 58.3 | 5% | 0.047 | 29% | 0.289 | C | S | . | . | trans | -82.3 | 124.3 | -178.4 | -173.4 | 0 | 0 | 0 | 0 | 111.9 | P4 A30 D36 Q40 I43 | P4-C34 HydrophobicContact CB-CB 4.05Å; P4-C34 HydrophobicContact CG-CB 4.46Å; A30-C34 WeakPolarHBondContact O-CB 3.49Å; A30-C34 PolarHBondContact O-N 2.67Å; C34-D36 PolarHBondContact SG-O 3.29Å; C34-Q40 HydrophobicContact CB-CG 4.17Å; C34-Q40 PolarHBondContact O-NE2 3.06Å; C34-I43 HydrophobicContact CB-CD1 4.25Å | ||
| 35 | T | 72.9 | Confident | 83.2 | Confident | 136 Ų | 136 | 59.9 Ų | 59.9 | 83% | 0.834 | 29% | 0.294 | S | S | * | . | trans | -102.6 | -10.4 | 175 | 56.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 36 | D | 79.9 | Confident | 83.3 | Confident | 79 Ų | 79 | 55.2 Ų | 55.2 | 42% | 0.422 | 27% | 0.273 | S | S | . | . | trans | -87.1 | 117.1 | 178.8 | 179.6 | 2.5 | 0 | 0 | 0 | 111.3 | C34 K38 M39 Q40 | C34-D36 PolarHBondContact SG-O 3.29Å; D36-K38 VanDerWaalsContact C-N 3.34Å; D36-K38 PolarHBondContact O-N 3.44Å; D36-K38 PolarHBondContact OD1-N 3.07Å; D36-M39 HydrophobicContact CB-CB 4.07Å; D36-M39 PolarHBondContact O-N 2.94Å; D36-M39 VanDerWaalsContact O-N 3.16Å; D36-Q40 WeakPolarHBondContact O-CG 3.44Å; D36-Q40 PolarHBondContact O-N 3.43Å | ||
| 37 | K | 78 | Confident | 83.5 | Confident | 126 Ų | 126 | 55.6 Ų | 55.6 | 55% | 0.548 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.9 | -38.2 | -178.8 | -65.9 | -170.1 | 174.6 | -164.5 | 0 | 113.8 | M39 Q40 A41 | K37-M39 VanDerWaalsContact C-N 3.32Å; K37-M39 PolarHBondContact O-N 3.09Å; K37-Q40 PolarHBondContact O-N 3.46Å; K37-A41 PolarHBondContact O-N 2.96Å |
| 38 | K | 77.9 | Confident | 83.6 | Confident | 172 Ų | 172 | 55.5 Ų | 55.5 | 75% | 0.748 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -67.9 | -37.8 | 178.9 | -72 | -176.2 | 179.1 | 179.2 | 0 | 111.1 | D36 V42 | D36-K38 VanDerWaalsContact C-N 3.34Å; D36-K38 PolarHBondContact O-N 3.44Å; D36-K38 PolarHBondContact OD1-N 3.07Å; K38-V42 PolarHBondContact O-N 3.26Å |
| 39 | M | 78.4 | Confident | 83.6 | Confident | 45 Ų | 45 | 54.2 Ų | 54.2 | 22% | 0.222 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -71.8 | -38.5 | 176.6 | -169.7 | 178 | -61.5 | 0 | 0 | 111.5 | P4 I5 D36 K37 A41 V42 I43 | P4-M39 HydrophobicContact CB-SD 4.42Å; I5-M39 HydrophobicContact CD1-CE 4.08Å; I5-M39 HydrophobicContact CG1-CE 3.72Å; I5-M39 HydrophobicContact CG1-SD 3.98Å; D36-M39 HydrophobicContact CB-CB 4.07Å; D36-M39 PolarHBondContact O-N 2.94Å; D36-M39 VanDerWaalsContact O-N 3.16Å; K37-M39 VanDerWaalsContact C-N 3.32Å; K37-M39 PolarHBondContact O-N 3.09Å; M39-A41 PolarHBondContact O-N 3.13Å; M39-V42 PolarHBondContact O-N 3.33Å; M39-I43 HydrophobicContact CG-CD1 4.11Å; M39-I43 VanDerWaalsContact O-CG1 3.29Å; M39-I43 WeakPolarHBondContact O-CG1 3.25Å; M39-I43 PolarHBondContact O-N 3Å |
| 40 | Q | 82.8 | Confident | 83.8 | Confident | 43 Ų | 43 | 51.5 Ų | 51.5 | 20% | 0.201 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58 | -44.3 | 172.6 | -73 | 178.1 | -8.4 | 0 | 0 | 112.1 | L31 C34 D36 K37 V42 I43 Y44 | L31-Q40 HydrophobicContact CD2-CB 4.15Å; L31-Q40 HydrophobicContact CD2-CG 4.2Å; C34-Q40 HydrophobicContact CB-CG 4.17Å; C34-Q40 PolarHBondContact O-NE2 3.06Å; D36-Q40 WeakPolarHBondContact O-CG 3.44Å; D36-Q40 PolarHBondContact O-N 3.43Å; K37-Q40 PolarHBondContact O-N 3.46Å; Q40-V42 VanDerWaalsContact C-N 3.32Å; Q40-V42 PolarHBondContact O-N 2.96Å; Q40-I43 PolarHBondContact O-N 2.88Å; Q40-I43 VanDerWaalsContact O-N 3.13Å; Q40-Y44 HydrophobicContact CB-CD2 4.32Å; Q40-Y44 HydrophobicContact CB-CE2 4.14Å; Q40-Y44 WeakPolarHBondContact O-CD2 3.37Å; Q40-Y44 PolarHBondContact O-N 2.89Å |
| 41 | A | 84.1 | Confident | 84 | Confident | 7 Ų | 7 | 53.3 Ų | 53.3 | 6% | 0.058 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.4 | -43.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K37 M39 Y44 R45 E70 | K37-A41 PolarHBondContact O-N 2.96Å; M39-A41 PolarHBondContact O-N 3.13Å; A41-Y44 PolarHBondContact O-N 3.13Å; A41-R45 VanDerWaalsContact O-CB 3.31Å; A41-R45 WeakPolarHBondContact O-CB 3.31Å; A41-R45 PolarHBondContact O-N 2.81Å; A41-E70 HydrophobicContact CB-CB 3.81Å |
| 42 | V | 85.6 | Confident | 84.1 | Confident | 51 Ų | 51 | 53.8 Ų | 53.8 | 31% | 0.309 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.1 | -39.9 | 176.3 | 176.1 | 0 | 0 | 0 | 0 | 111.7 | K38 M39 Q40 R45 N46 | K38-V42 PolarHBondContact O-N 3.26Å; M39-V42 PolarHBondContact O-N 3.33Å; Q40-V42 VanDerWaalsContact C-N 3.32Å; Q40-V42 PolarHBondContact O-N 2.96Å; V42-R45 PolarHBondContact O-N 2.69Å; V42-N46 PolarHBondContact O-N 3.28Å |
| 43 | I | 85.7 | Confident | 84.3 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.9 | -45.1 | 178.2 | -60.6 | 161.6 | 0 | 0 | 0 | 110.7 | K8 Y27 A30 L31 C34 M39 Q40 R45 N46 R47 | K8-I43 HydrophobicContact CB-CG1 4.36Å; K8-I43 HydrophobicContact CD-CG1 4.4Å; K8-I43 HydrophobicContact CG-CG1 4.05Å; Y27-I43 HydrophobicContact CD1-CG2 3.89Å; Y27-I43 HydrophobicContact CG-CG2 4.24Å; Y27-I43 WeakPolarHBondContact O-CG2 3.5Å; A30-I43 HydrophobicContact CB-CD1 4.06Å; A30-I43 HydrophobicContact CB-CG2 4.42Å; L31-I43 HydrophobicContact CD1-CG2 3.99Å; L31-I43 HydrophobicContact CD2-CB 3.87Å; L31-I43 HydrophobicContact CD2-CD1 4.5Å; L31-I43 HydrophobicContact CD2-CG2 3.89Å; L31-I43 HydrophobicContact CG-CB 4.11Å; L31-I43 HydrophobicContact CG-CG2 3.54Å; C34-I43 HydrophobicContact CB-CD1 4.25Å; M39-I43 HydrophobicContact CG-CD1 4.11Å; M39-I43 VanDerWaalsContact O-CG1 3.29Å; M39-I43 WeakPolarHBondContact O-CG1 3.25Å; M39-I43 PolarHBondContact O-N 3Å; Q40-I43 PolarHBondContact O-N 2.88Å; Q40-I43 VanDerWaalsContact O-N 3.13Å; I43-R45 VanDerWaalsContact C-N 3.29Å; I43-R45 PolarHBondContact O-N 2.85Å; I43-N46 PolarHBondContact O-N 3.23Å; I43-N46 VanDerWaalsContact O-N 3.13Å; I43-R47 WeakPolarHBondContact O-CB 3.39Å; I43-R47 PolarHBondContact O-N 3.02Å |
| 44 | Y | 88.9 | Confident | 84.7 | Confident | 43 Ų | 43 | 53.5 Ų | 53.5 | 17% | 0.169 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.3 | -42.6 | 174.1 | -78.1 | -55.5 | 0 | 0 | 0 | 111.8 | L31 Q40 A41 N46 R47 C48 D63 K66 | L31-Y44 HydrophobicContact CD1-CD1 3.64Å; L31-Y44 HydrophobicContact CD1-CE1 3.45Å; L31-Y44 VanDerWaalsContact CD1-CE1 3.45Å; L31-Y44 HydrophobicContact CD1-CG 4.39Å; L31-Y44 HydrophobicContact CD2-CD1 4.11Å; L31-Y44 HydrophobicContact CD2-CD2 3.99Å; L31-Y44 HydrophobicContact CD2-CE1 3.87Å; L31-Y44 HydrophobicContact CD2-CE2 3.76Å; L31-Y44 HydrophobicContact CD2-CG 4.14Å; L31-Y44 HydrophobicContact CG-CE1 4.26Å; Q40-Y44 HydrophobicContact CB-CD2 4.32Å; Q40-Y44 HydrophobicContact CB-CE2 4.14Å; Q40-Y44 WeakPolarHBondContact O-CD2 3.37Å; Q40-Y44 PolarHBondContact O-N 2.89Å; A41-Y44 PolarHBondContact O-N 3.13Å; Y44-N46 PolarHBondContact O-N 3.11Å; Y44-R47 PolarHBondContact O-N 3.1Å; Y44-C48 VanDerWaalsContact O-CB 3.25Å; Y44-C48 WeakPolarHBondContact O-CB 3.45Å; Y44-C48 PolarHBondContact O-N 3.29Å; Y44-D63 HydrophobicContact CD1-CB 4.45Å; Y44-K66 HydrophobicContact CD1-CD 4.42Å; Y44-K66 HydrophobicContact CD2-CB 4.13Å; Y44-K66 HydrophobicContact CE1-CD 3.98Å; Y44-K66 HydrophobicContact CE2-CB 4.31Å; Y44-K66 HydrophobicContact CG-CB 4.26Å |
| 45 | R | 90.5 | Very high | 85.1 | Confident | 50 Ų | 50 | 59.7 Ų | 59.7 | 19% | 0.189 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.7 | -39.4 | 175.8 | -179 | -175 | 80.7 | -177.6 | -5.3 | 113.1 | A41 V42 I43 A49 A67 D74 A77 R80 | A41-R45 VanDerWaalsContact O-CB 3.31Å; A41-R45 WeakPolarHBondContact O-CB 3.31Å; A41-R45 PolarHBondContact O-N 2.81Å; V42-R45 PolarHBondContact O-N 2.69Å; I43-R45 VanDerWaalsContact C-N 3.29Å; I43-R45 PolarHBondContact O-N 2.85Å; R45-A49 PolarHBondContact O-N 3.38Å; R45-A67 HydrophobicContact CB-CB 4.27Å; R45-D74 WeakPolarHBondContact CD-OD2 3.46Å; R45-D74 IonicContact CZ-OD2 2.99Å; R45-D74 IonicContact NE-OD2 3.26Å; R45-D74 IonicContact NH1-OD1 3.23Å; R45-D74 IonicContact NH1-OD2 2.67Å; R45-D74 PolarHBondContact NH1-OD2 3.35Å; R45-A77 HydrophobicContact CG-CB 4.33Å; R45-R80 PolarHBondContact O-NH1 3.1Å |
| 46 | N | 89.2 | Confident | 85.7 | Confident | 26 Ų | 26 | 54.8 Ų | 54.8 | 14% | 0.139 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -74.7 | -37.4 | 179 | -72.4 | -0.8 | 0 | 0 | 0 | 111.8 | N12 Y27 V42 I43 Y44 A49 C50 | N12-N46 PolarHBondContact OD1-ND2 3.31Å; N12-N46 VanDerWaalsContact OD1-ND2 3.11Å; Y27-N46 HydrophobicContact CE1-CB 3.92Å; Y27-N46 HydrophobicContact CE2-CB 4.23Å; V42-N46 PolarHBondContact O-N 3.28Å; I43-N46 PolarHBondContact O-N 3.23Å; I43-N46 VanDerWaalsContact O-N 3.13Å; Y44-N46 PolarHBondContact O-N 3.11Å; N46-A49 WeakPolarHBondContact O-CB 3.48Å; N46-A49 PolarHBondContact O-N 3.41Å; N46-C50 PolarHBondContact O-N 3.47Å; N46-C50 PolarHBondContact O-SG 2.85Å |
| 47 | R | 89.1 | Confident | 86.1 | Confident | 27 Ų | 27 | 53.3 Ų | 53.3 | 10% | 0.102 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68 | -37.1 | 173.5 | -162.4 | 173.6 | 66.4 | 172.9 | 1.2 | 112.3 | I24 Y27 T28 I43 Y44 A49 C50 Y51 D63 | I24-R47 HydrophobicContact CG2-CG 4.44Å; Y27-R47 HydrophobicContact CD2-CB 4.28Å; Y27-R47 HydrophobicContact CG-CB 4.37Å; T28-R47 WeakPolarHBondContact OG1-CD 3.4Å; T28-R47 PolarHBondContact OG1-NH1 3.4Å; I43-R47 WeakPolarHBondContact O-CB 3.39Å; I43-R47 PolarHBondContact O-N 3.02Å; Y44-R47 PolarHBondContact O-N 3.1Å; R47-A49 VanDerWaalsContact C-N 3.28Å; R47-A49 PolarHBondContact O-N 2.97Å; R47-C50 WeakPolarHBondContact O-CA 3.45Å; R47-C50 VanDerWaalsContact O-CB 3.26Å; R47-C50 WeakPolarHBondContact O-CB 3.38Å; R47-C50 PolarHBondContact O-N 3.01Å; R47-Y51 HydrophobicContact CG-CD2 4.14Å; R47-Y51 HydrophobicContact CG-CE2 3.7Å; R47-Y51 WeakPolarHBondContact O-CD2 3.47Å; R47-Y51 PolarHBondContact O-N 3.31Å; R47-D63 IonicContact CZ-OD1 3.03Å; R47-D63 IonicContact CZ-OD2 3.38Å; R47-D63 IonicContact NE-OD1 2.88Å; R47-D63 IonicContact NE-OD2 3.62Å; R47-D63 PolarHBondContact NE-OD2 3.07Å; R47-D63 IonicContact NH2-OD1 2.68Å; R47-D63 PolarHBondContact NH2-OD1 3.15Å; R47-D63 IonicContact NH2-OD2 3.32Å; R47-D63 PolarHBondContact NH2-OD2 3.05Å |
| 48 | C | 90.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -55.1 | -42.1 | 169.6 | 173.2 | 0 | 0 | 0 | 0 | 112 | Y44 C50 Y51 L52 A60 D63 | Y44-C48 VanDerWaalsContact O-CB 3.25Å; Y44-C48 WeakPolarHBondContact O-CB 3.45Å; Y44-C48 PolarHBondContact O-N 3.29Å; C48-C50 VanDerWaalsContact C-N 3.27Å; C48-C50 PolarHBondContact O-N 3.01Å; C48-Y51 PolarHBondContact O-N 3.39Å; C48-L52 PolarHBondContact O-N 3.34Å; C48-A60 PolarHBondContact SG-O 3.22Å; C48-D63 HydrophobicContact CB-CB 3.98Å |
| 49 | A | 88.1 | Confident | 87 | Confident | 10 Ų | 10 | 46.2 Ų | 46.2 | 8% | 0.083 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.6 | -32.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | F15 R45 N46 R47 K53 | F15-A49 HydrophobicContact CE2-CB 4.36Å; F15-A49 HydrophobicContact CZ-CB 4.01Å; R45-A49 PolarHBondContact O-N 3.38Å; N46-A49 WeakPolarHBondContact O-CB 3.48Å; N46-A49 PolarHBondContact O-N 3.41Å; R47-A49 VanDerWaalsContact C-N 3.28Å; R47-A49 PolarHBondContact O-N 2.97Å; A49-K53 PolarHBondContact O-N 3.38Å |
| 50 | C | 89.1 | Confident | 87.4 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.2 | -45.2 | 172.8 | -56.3 | 0 | 0 | 0 | 0 | 111.2 | F15 I20 I24 Y27 N46 R47 C48 L52 K53 K54 | F15-C50 HydrophobicContact CD2-CB 4.46Å; F15-C50 WeakPolarHBondContact CD2-SG 3.43Å; F15-C50 HydrophobicContact CE2-CB 4.44Å; I20-C50 HydrophobicContact CG2-CB 3.85Å; I20-C50 WeakPolarHBondContact CG2-O 3.26Å; I24-C50 HydrophobicContact CD1-CB 3.94Å; I24-C50 HydrophobicContact CG1-CB 3.45Å; I24-C50 VanDerWaalsContact CG1-CB 3.45Å; Y27-C50 VanDerWaalsContact CE2-SG 3.56Å; N46-C50 PolarHBondContact O-N 3.47Å; N46-C50 PolarHBondContact O-SG 2.85Å; R47-C50 WeakPolarHBondContact O-CA 3.45Å; R47-C50 VanDerWaalsContact O-CB 3.26Å; R47-C50 WeakPolarHBondContact O-CB 3.38Å; R47-C50 PolarHBondContact O-N 3.01Å; C48-C50 VanDerWaalsContact C-N 3.27Å; C48-C50 PolarHBondContact O-N 3.01Å; C50-L52 VanDerWaalsContact C-N 3.34Å; C50-L52 PolarHBondContact O-N 3.27Å; C50-K53 PolarHBondContact O-N 3.1Å; C50-K54 PolarHBondContact O-N 3.47Å |
| 51 | Y | 89.3 | Confident | 87.8 | Confident | 38 Ų | 38 | 43.3 Ų | 43.3 | 15% | 0.149 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.9 | -35.2 | 177.1 | -73 | -48.9 | 0 | 0 | 0 | 113.3 | I24 R47 C48 K54 E55 S56 N59 D63 | I24-Y51 HydrophobicContact CD1-CD1 3.9Å; I24-Y51 HydrophobicContact CD1-CE1 3.82Å; I24-Y51 HydrophobicContact CG1-CE1 4.34Å; I24-Y51 HydrophobicContact CG2-CE1 3.97Å; R47-Y51 HydrophobicContact CG-CD2 4.14Å; R47-Y51 HydrophobicContact CG-CE2 3.7Å; R47-Y51 WeakPolarHBondContact O-CD2 3.47Å; R47-Y51 PolarHBondContact O-N 3.31Å; C48-Y51 PolarHBondContact O-N 3.39Å; Y51-K54 CarbonylContact O-C 3.6Å; Y51-K54 PolarHBondContact O-N 3.27Å; Y51-E55 PolarHBondContact O-N 3.02Å; Y51-S56 PolarHBondContact O-N 3.49Å; Y51-N59 HydrophobicContact CD1-CB 4.15Å; Y51-N59 HydrophobicContact CD2-CB 4.02Å; Y51-N59 HydrophobicContact CE1-CB 4.34Å; Y51-N59 HydrophobicContact CE2-CB 4.19Å; Y51-N59 HydrophobicContact CG-CB 4.01Å; Y51-D63 WeakPolarHBondContact CD2-OD2 3.29Å; Y51-D63 WeakPolarHBondContact CE2-OD2 3.39Å |
| 52 | L | 87.6 | Confident | 88.1 | Confident | 28 Ų | 28 | 45.4 Ų | 45.4 | 15% | 0.147 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.1 | -44.5 | 171.2 | -82.8 | 176.5 | 0 | 0 | 0 | 112.2 | C48 C50 K54 E55 Y57 A60 R80 Q83 A84 | C48-L52 PolarHBondContact O-N 3.34Å; C50-L52 VanDerWaalsContact C-N 3.34Å; C50-L52 PolarHBondContact O-N 3.27Å; L52-K54 VanDerWaalsContact C-N 3.28Å; L52-K54 PolarHBondContact O-N 3.2Å; L52-E55 PolarHBondContact O-N 3.27Å; L52-Y57 HydrophobicContact CD2-CD1 4.16Å; L52-A60 HydrophobicContact CD2-CB 4.13Å; L52-A60 HydrophobicContact CG-CB 3.99Å; L52-R80 HydrophobicContact CD1-CB 3.59Å; L52-R80 HydrophobicContact CD1-CG 3.72Å; L52-Q83 HydrophobicContact CD2-CB 4.44Å; L52-A84 HydrophobicContact CD2-CB 3.68Å |
| 53 | K | 86.2 | Confident | 88.3 | Confident | 124 Ų | 124 | 43.3 Ų | 43.3 | 54% | 0.539 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.7 | -28.9 | 176.3 | -77.3 | -170 | 179 | 177.8 | 0 | 113.1 | F15 I20 A49 C50 E55 | F15-K53 HydrophobicContact CE2-CD 3.69Å; F15-K53 HydrophobicContact CE2-CG 4.49Å; F15-K53 HydrophobicContact CZ-CD 3.86Å; F15-K53 VanDerWaalsContact CZ-CE 3.48Å; I20-K53 HydrophobicContact CD1-CB 4.44Å; I20-K53 HydrophobicContact CD1-CD 3.75Å; A49-K53 PolarHBondContact O-N 3.38Å; C50-K53 PolarHBondContact O-N 3.1Å; K53-E55 VanDerWaalsContact C-N 3.27Å |
| 54 | K | 87.4 | Confident | 88.4 | Confident | 112 Ų | 112 | 43.3 Ų | 43.3 | 49% | 0.487 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | 5.9 | 175.7 | -160.6 | 176.7 | 174.1 | 173.5 | 0 | 113 | I20 D21 I24 C50 Y51 L52 S56 | I20-K54 HydrophobicContact CG2-CB 4.47Å; D21-K54 WeakPolarHBondContact OD1-CE 3.48Å; D21-K54 IonicContact OD1-NZ 2.74Å; D21-K54 PolarHBondContact OD1-NZ 2.97Å; I24-K54 HydrophobicContact CD1-CD 4.11Å; C50-K54 PolarHBondContact O-N 3.47Å; Y51-K54 CarbonylContact O-C 3.6Å; Y51-K54 PolarHBondContact O-N 3.27Å; L52-K54 VanDerWaalsContact C-N 3.28Å; L52-K54 PolarHBondContact O-N 3.2Å; K54-S56 PolarHBondContact O-N 3.42Å |
| 55 | E | 86.7 | Confident | 88.5 | Confident | 137 Ų | 137 | 42.6 Ų | 42.6 | 64% | 0.64 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 19.5 | -175.9 | -52.2 | -168.1 | 156.4 | 0 | 0 | 114.4 | Y51 L52 K53 Y57 | Y51-E55 PolarHBondContact O-N 3.02Å; L52-E55 PolarHBondContact O-N 3.27Å; K53-E55 VanDerWaalsContact C-N 3.27Å; E55-Y57 VanDerWaalsContact C-N 3.28Å; E55-Y57 HydrophobicContact CB-CE1 4.4Å; E55-Y57 HydrophobicContact CB-CE2 3.87Å; E55-Y57 WeakPolarHBondContact CG-OH 3.39Å; E55-Y57 WeakPolarHBondContact O-CD2 3.47Å; E55-Y57 VanDerWaalsContact O-CE2 3.32Å; E55-Y57 WeakPolarHBondContact O-CE2 3.31Å; E55-Y57 PolarHBondContact O-N 3.18Å |
| 56 | S | 85.9 | Confident | 88.3 | Confident | 32 Ų | 32 | 44.5 Ų | 44.5 | 22% | 0.224 | 23% | 0.227 | C | C | . | . | trans | -87.4 | 69.5 | 176.7 | -164.5 | 0 | 0 | 0 | 0 | 109.7 | Y51 K54 S58 N59 A60 | Y51-S56 PolarHBondContact O-N 3.49Å; K54-S56 PolarHBondContact O-N 3.42Å; S56-S58 PolarHBondContact O-N 3.47Å; S56-N59 PolarHBondContact O-N 2.91Å; S56-N59 PolarHBondContact OG-ND2 3.23Å; S56-A60 PolarHBondContact O-N 3.38Å | ||
| 57 | Y | 87.6 | Confident | 88.2 | Confident | 48 Ų | 48 | 43.3 Ų | 43.3 | 19% | 0.188 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.6 | -34.7 | -167.8 | -53.5 | -64.7 | 0 | 0 | 0 | 114 | L52 E55 A60 V61 K87 | L52-Y57 HydrophobicContact CD2-CD1 4.16Å; E55-Y57 VanDerWaalsContact C-N 3.28Å; E55-Y57 HydrophobicContact CB-CE1 4.4Å; E55-Y57 HydrophobicContact CB-CE2 3.87Å; E55-Y57 WeakPolarHBondContact CG-OH 3.39Å; E55-Y57 WeakPolarHBondContact O-CD2 3.47Å; E55-Y57 VanDerWaalsContact O-CE2 3.32Å; E55-Y57 WeakPolarHBondContact O-CE2 3.31Å; E55-Y57 PolarHBondContact O-N 3.18Å; Y57-A60 PolarHBondContact O-N 3.18Å; Y57-V61 WeakPolarHBondContact O-CG2 3.39Å; Y57-V61 PolarHBondContact O-N 3.09Å; Y57-K87 HydrophobicContact CD1-CB 3.75Å; Y57-K87 HydrophobicContact CD1-CG 4.14Å; Y57-K87 HydrophobicContact CD2-CB 3.92Å; Y57-K87 HydrophobicContact CE1-CB 3.69Å; Y57-K87 HydrophobicContact CE1-CG 3.67Å; Y57-K87 HydrophobicContact CE2-CB 3.88Å; Y57-K87 HydrophobicContact CE2-CG 4.44Å; Y57-K87 HydrophobicContact CG-CB 3.86Å |
| 58 | S | 87.7 | Confident | 88.2 | Confident | 73 Ų | 73 | 42.5 Ų | 42.5 | 51% | 0.51 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.3 | -44.1 | 177.7 | 52.7 | 0 | 0 | 0 | 0 | 112.4 | S56 V61 S62 | S56-S58 PolarHBondContact O-N 3.47Å; S58-V61 PolarHBondContact O-N 3.46Å; S58-S62 PolarHBondContact O-N 2.97Å |
| 59 | N | 85.8 | Confident | 88 | Confident | 76 Ų | 76 | 48.5 Ų | 48.5 | 41% | 0.406 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -68.9 | -38.3 | 176.5 | -68 | -29.5 | 0 | 0 | 0 | 111.4 | Y51 S56 V61 S62 D63 | Y51-N59 HydrophobicContact CD1-CB 4.15Å; Y51-N59 HydrophobicContact CD2-CB 4.02Å; Y51-N59 HydrophobicContact CE1-CB 4.34Å; Y51-N59 HydrophobicContact CE2-CB 4.19Å; Y51-N59 HydrophobicContact CG-CB 4.01Å; S56-N59 PolarHBondContact O-N 2.91Å; S56-N59 PolarHBondContact OG-ND2 3.23Å; N59-V61 VanDerWaalsContact C-N 3.34Å; N59-V61 PolarHBondContact O-N 3.24Å; N59-S62 PolarHBondContact O-N 3.2Å; N59-D63 PolarHBondContact O-N 3.42Å |
| 60 | A | 88.5 | Confident | 87.8 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.3 | -41 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | C48 L52 S56 Y57 A64 A84 | C48-A60 PolarHBondContact SG-O 3.22Å; L52-A60 HydrophobicContact CD2-CB 4.13Å; L52-A60 HydrophobicContact CG-CB 3.99Å; S56-A60 PolarHBondContact O-N 3.38Å; Y57-A60 PolarHBondContact O-N 3.18Å; A60-A64 VanDerWaalsContact O-CB 3.25Å; A60-A64 WeakPolarHBondContact O-CB 3.46Å; A60-A64 PolarHBondContact O-N 3.45Å; A60-A84 HydrophobicContact CB-CB 4Å |
| 61 | V | 90 | Very high | 87.4 | Confident | 27 Ų | 27 | 55.3 Ų | 55.3 | 16% | 0.164 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.1 | -40.8 | 175.6 | 171.4 | 0 | 0 | 0 | 0 | 111.6 | Y57 S58 N59 S65 R81 A84 L85 L88 | Y57-V61 WeakPolarHBondContact O-CG2 3.39Å; Y57-V61 PolarHBondContact O-N 3.09Å; S58-V61 PolarHBondContact O-N 3.46Å; N59-V61 VanDerWaalsContact C-N 3.34Å; N59-V61 PolarHBondContact O-N 3.24Å; V61-S65 WeakPolarHBondContact O-CB 3.35Å; V61-S65 PolarHBondContact O-N 3.06Å; V61-S65 PolarHBondContact O-OG 3.08Å; V61-R81 HydrophobicContact CG1-CG 4.26Å; V61-R81 HydrophobicContact CG2-CG 4.45Å; V61-A84 HydrophobicContact CG2-CB 3.54Å; V61-L85 HydrophobicContact CG1-CD2 4.12Å; V61-L85 HydrophobicContact CG2-CD2 3.88Å; V61-L85 HydrophobicContact CG2-CG 3.92Å; V61-L88 HydrophobicContact CG2-CD1 3.98Å |
| 62 | S | 90.9 | Very high | 87 | Confident | 52 Ų | 52 | 55.9 Ų | 55.9 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.9 | -49.3 | 178.5 | -171.6 | 0 | 0 | 0 | 0 | 111.4 | S58 N59 S65 K66 | S58-S62 PolarHBondContact O-N 2.97Å; N59-S62 PolarHBondContact O-N 3.2Å; S62-S65 PolarHBondContact O-N 3.17Å; S62-K66 WeakPolarHBondContact O-CG 3.25Å; S62-K66 PolarHBondContact O-N 3.03Å |
| 63 | D | 88.8 | Confident | 86.6 | Confident | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.032 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.7 | -39.7 | 179.2 | -86.1 | 0.4 | 0 | 0 | 0 | 112.4 | Y44 R47 C48 Y51 N59 S65 K66 A67 | Y44-D63 HydrophobicContact CD1-CB 4.45Å; R47-D63 IonicContact CZ-OD1 3.03Å; R47-D63 IonicContact CZ-OD2 3.38Å; R47-D63 IonicContact NE-OD1 2.88Å; R47-D63 IonicContact NE-OD2 3.62Å; R47-D63 PolarHBondContact NE-OD2 3.07Å; R47-D63 IonicContact NH2-OD1 2.68Å; R47-D63 PolarHBondContact NH2-OD1 3.15Å; R47-D63 IonicContact NH2-OD2 3.32Å; R47-D63 PolarHBondContact NH2-OD2 3.05Å; C48-D63 HydrophobicContact CB-CB 3.98Å; Y51-D63 WeakPolarHBondContact CD2-OD2 3.29Å; Y51-D63 WeakPolarHBondContact CE2-OD2 3.39Å; N59-D63 PolarHBondContact O-N 3.42Å; D63-S65 VanDerWaalsContact C-N 3.32Å; D63-S65 PolarHBondContact O-N 3.32Å; D63-K66 PolarHBondContact O-N 3.17Å; D63-A67 PolarHBondContact O-N 3.43Å |
| 64 | A | 88.8 | Confident | 86.5 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65 | -37.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | A60 A67 I68 R81 | A60-A64 VanDerWaalsContact O-CB 3.25Å; A60-A64 WeakPolarHBondContact O-CB 3.46Å; A60-A64 PolarHBondContact O-N 3.45Å; A64-A67 PolarHBondContact O-N 3.46Å; A64-I68 VanDerWaalsContact O-CD1 3.25Å; A64-I68 WeakPolarHBondContact O-CD1 3.31Å; A64-I68 WeakPolarHBondContact O-CG1 3.4Å; A64-I68 PolarHBondContact O-N 3.49Å; A64-R81 HydrophobicContact CB-CB 3.64Å; A64-R81 HydrophobicContact CB-CG 4.01Å |
| 65 | S | 90.1 | Very high | 86.4 | Confident | 29 Ų | 29 | 49 Ų | 49 | 20% | 0.203 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.2 | -44 | 177.4 | -57.3 | 0 | 0 | 0 | 0 | 111.4 | V61 S62 D63 A67 I68 D69 R81 | V61-S65 WeakPolarHBondContact O-CB 3.35Å; V61-S65 PolarHBondContact O-N 3.06Å; V61-S65 PolarHBondContact O-OG 3.08Å; S62-S65 PolarHBondContact O-N 3.17Å; D63-S65 VanDerWaalsContact C-N 3.32Å; D63-S65 PolarHBondContact O-N 3.32Å; S65-A67 VanDerWaalsContact C-N 3.27Å; S65-A67 PolarHBondContact O-N 3.3Å; S65-I68 CarbonylContact O-C 3.45Å; S65-I68 PolarHBondContact O-N 2.92Å; S65-D69 PolarHBondContact O-N 3.42Å; S65-R81 VanDerWaalsContact OG-CD 3.25Å; S65-R81 WeakPolarHBondContact OG-CD 3.44Å; S65-R81 PolarHBondContact OG-NH1 3.43Å; S65-R81 VanDerWaalsContact OG-NH1 3.15Å |
| 66 | K | 88.1 | Confident | 86.4 | Confident | 90 Ų | 90 | 48.3 Ų | 48.3 | 39% | 0.391 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.2 | -36.4 | 173.7 | -69.5 | 176.1 | -177.6 | 177.6 | 0 | 112.7 | Y44 S62 D63 | Y44-K66 HydrophobicContact CD1-CD 4.42Å; Y44-K66 HydrophobicContact CD2-CB 4.13Å; Y44-K66 HydrophobicContact CE1-CD 3.98Å; Y44-K66 HydrophobicContact CE2-CB 4.31Å; Y44-K66 HydrophobicContact CG-CB 4.26Å; S62-K66 WeakPolarHBondContact O-CG 3.25Å; S62-K66 PolarHBondContact O-N 3.03Å; D63-K66 PolarHBondContact O-N 3.17Å |
| 67 | A | 86.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.9 | -36.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R45 D63 A64 S65 D71 A77 | R45-A67 HydrophobicContact CB-CB 4.27Å; D63-A67 PolarHBondContact O-N 3.43Å; A64-A67 PolarHBondContact O-N 3.46Å; S65-A67 VanDerWaalsContact C-N 3.27Å; S65-A67 PolarHBondContact O-N 3.3Å; A67-D71 PolarHBondContact O-N 3.03Å; A67-A77 HydrophobicContact CB-CB 3.96Å |
| 68 | I | 88.1 | Confident | 86.5 | Confident | 10 Ų | 10 | 44.5 Ų | 44.5 | 5% | 0.051 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -74.5 | -32 | 178.7 | -67.2 | 158.7 | 0 | 0 | 0 | 112 | A64 S65 E70 D71 A72 A77 L78 R81 | A64-I68 VanDerWaalsContact O-CD1 3.25Å; A64-I68 WeakPolarHBondContact O-CD1 3.31Å; A64-I68 WeakPolarHBondContact O-CG1 3.4Å; A64-I68 PolarHBondContact O-N 3.49Å; S65-I68 CarbonylContact O-C 3.45Å; S65-I68 PolarHBondContact O-N 2.92Å; I68-E70 PolarHBondContact O-N 3.33Å; I68-D71 WeakPolarHBondContact CA-O 3.37Å; I68-D71 CarbonylContact O-C 3.57Å; I68-A72 VanDerWaalsContact O-CA 3.22Å; I68-A72 WeakPolarHBondContact O-CA 3.46Å; I68-A72 PolarHBondContact O-N 3.02Å; I68-A72 VanDerWaalsContact O-N 3.11Å; I68-A77 HydrophobicContact CD1-CB 4.41Å; I68-A77 HydrophobicContact CG1-CB 3.85Å; I68-L78 HydrophobicContact CD1-CD2 3.72Å; I68-L78 HydrophobicContact CD1-CG 4.09Å; I68-L78 HydrophobicContact CG1-CD2 4.13Å; I68-L78 HydrophobicContact CG1-CG 4.18Å; I68-L78 HydrophobicContact CG2-CD2 4.29Å; I68-R81 HydrophobicContact CD1-CB 4.31Å |
| 69 | D | 86.8 | Confident | 86.6 | Confident | 126 Ų | 126 | 43.4 Ų | 43.4 | 67% | 0.674 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -64.1 | -32.4 | 176.6 | -66.9 | -24.8 | 0 | 0 | 0 | 111.3 | S65 | S65-D69 PolarHBondContact O-N 3.42Å |
| 70 | E | 84.5 | Confident | 86.8 | Confident | 92 Ų | 92 | 42.5 Ų | 42.5 | 43% | 0.43 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -88.6 | -40.7 | 176.9 | -64.1 | -63.8 | 156.5 | 0 | 0 | 113 | A41 I68 | A41-E70 HydrophobicContact CB-CB 3.81Å; I68-E70 PolarHBondContact O-N 3.33Å |
| 71 | D | 80.6 | Confident | 86.9 | Confident | 62 Ų | 62 | 44.3 Ų | 44.3 | 33% | 0.332 | 23% | 0.233 | S | C | . | . | trans | -126.4 | 94.7 | 171.2 | -176.3 | -2.1 | 0 | 0 | 0 | 111 | A67 I68 S73 D74 | A67-D71 PolarHBondContact O-N 3.03Å; I68-D71 WeakPolarHBondContact CA-O 3.37Å; I68-D71 CarbonylContact O-C 3.57Å; D71-S73 PolarHBondContact O-N 3Å; D71-S73 VanDerWaalsContact O-N 3.08Å; D71-S73 WeakPolarHBondContact OD1-CA 3.24Å; D71-S73 PolarHBondContact OD1-N 3.21Å; D71-S73 PolarHBondContact OD1-OG 3.02Å; D71-D74 HydrophobicContact CB-CB 4.17Å; D71-D74 PolarHBondContact O-N 2.87Å; D71-D74 VanDerWaalsContact O-N 3.12Å; D71-D74 PolarHBondContact OD1-N 3.48Å | ||
| 72 | A | 80.1 | Confident | 87 | Confident | 49 Ų | 49 | 43 Ų | 43 | 41% | 0.405 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -10 | -179 | 0 | 0 | 0 | 0 | 0 | 113.6 | I68 R100 | I68-A72 VanDerWaalsContact O-CA 3.22Å; I68-A72 WeakPolarHBondContact O-CA 3.46Å; I68-A72 PolarHBondContact O-N 3.02Å; I68-A72 VanDerWaalsContact O-N 3.11Å; A72-R100 PolarHBondContact O-NE 3.33Å; A72-R100 PolarHBondContact O-NH2 2.71Å |
| 73 | S | 79.9 | Confident | 87 | Confident | 72 Ų | 72 | 44 Ų | 44 | 50% | 0.503 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 4.4 | 177.3 | 51.9 | 0 | 0 | 0 | 0 | 113.9 | D71 I75 | D71-S73 PolarHBondContact O-N 3Å; D71-S73 VanDerWaalsContact O-N 3.08Å; D71-S73 WeakPolarHBondContact OD1-CA 3.24Å; D71-S73 PolarHBondContact OD1-N 3.21Å; D71-S73 PolarHBondContact OD1-OG 3.02Å; S73-I75 PolarHBondContact O-N 3.47Å |
| 74 | D | 83.8 | Confident | 87 | Confident | 14 Ų | 14 | 43.8 Ų | 43.8 | 8% | 0.075 | 22% | 0.222 | C | C | . | . | trans | -71.8 | 94.8 | 178.5 | -166.6 | -34.8 | 0 | 0 | 0 | 111.8 | R45 D71 K76 A77 L78 | R45-D74 WeakPolarHBondContact CD-OD2 3.46Å; R45-D74 IonicContact CZ-OD2 2.99Å; R45-D74 IonicContact NE-OD2 3.26Å; R45-D74 IonicContact NH1-OD1 3.23Å; R45-D74 IonicContact NH1-OD2 2.67Å; R45-D74 PolarHBondContact NH1-OD2 3.35Å; D71-D74 HydrophobicContact CB-CB 4.17Å; D71-D74 PolarHBondContact O-N 2.87Å; D71-D74 VanDerWaalsContact O-N 3.12Å; D71-D74 PolarHBondContact OD1-N 3.48Å; D74-K76 PolarHBondContact O-N 3.44Å; D74-K76 WeakPolarHBondContact OD1-CA 3.29Å; D74-K76 WeakPolarHBondContact OD1-CB 3.46Å; D74-K76 PolarHBondContact OD1-N 3.43Å; D74-A77 HydrophobicContact CB-CB 3.96Å; D74-A77 PolarHBondContact O-N 3.4Å; D74-A77 PolarHBondContact OD1-N 2.98Å; D74-L78 WeakPolarHBondContact O-CG 3.4Å; D74-L78 PolarHBondContact O-N 3.07Å | ||
| 75 | I | 85.3 | Confident | 87.1 | Confident | 35 Ų | 35 | 44.1 Ų | 44.1 | 18% | 0.179 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.4 | -34.4 | 178.8 | -63.4 | 160.1 | 0 | 0 | 0 | 111.7 | S73 Y79 C101 L104 E105 F111 | S73-I75 PolarHBondContact O-N 3.47Å; I75-Y79 VanDerWaalsContact O-CB 3.28Å; I75-Y79 WeakPolarHBondContact O-CB 3.41Å; I75-Y79 PolarHBondContact O-N 3.32Å; I75-C101 HydrophobicContact CG2-CB 4.41Å; I75-L104 HydrophobicContact CD1-CB 4Å; I75-L104 HydrophobicContact CG1-CB 4.01Å; I75-L104 HydrophobicContact CG1-CD1 3.86Å; I75-E105 HydrophobicContact CD1-CG 3.72Å; I75-E105 WeakPolarHBondContact CD1-OE1 3.48Å; I75-F111 HydrophobicContact CG2-CE2 3.59Å; I75-F111 HydrophobicContact CG2-CZ 3.52Å |
| 76 | K | 86.1 | Confident | 87 | Confident | 121 Ų | 121 | 44.4 Ų | 44.4 | 53% | 0.526 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -73.5 | -38.7 | -179 | -69.6 | 177.3 | -178.6 | 175 | 0 | 110.9 | D74 R80 | D74-K76 PolarHBondContact O-N 3.44Å; D74-K76 WeakPolarHBondContact OD1-CA 3.29Å; D74-K76 WeakPolarHBondContact OD1-CB 3.46Å; D74-K76 PolarHBondContact OD1-N 3.43Å; K76-R80 VanDerWaalsContact O-CB 3.28Å; K76-R80 WeakPolarHBondContact O-CB 3.3Å; K76-R80 WeakPolarHBondContact O-CD 3.43Å; K76-R80 WeakPolarHBondContact O-CG 3.5Å; K76-R80 PolarHBondContact O-N 3.04Å |
| 77 | A | 87 | Confident | 86.9 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67 | -44.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R45 A67 I68 D74 Y79 R80 R81 | R45-A77 HydrophobicContact CG-CB 4.33Å; A67-A77 HydrophobicContact CB-CB 3.96Å; I68-A77 HydrophobicContact CD1-CB 4.41Å; I68-A77 HydrophobicContact CG1-CB 3.85Å; D74-A77 HydrophobicContact CB-CB 3.96Å; D74-A77 PolarHBondContact O-N 3.4Å; D74-A77 PolarHBondContact OD1-N 2.98Å; A77-Y79 PolarHBondContact O-N 3.32Å; A77-R80 PolarHBondContact O-N 2.89Å; A77-R81 WeakPolarHBondContact O-CB 3.35Å; A77-R81 PolarHBondContact O-N 3.39Å |
| 78 | L | 88.8 | Confident | 86.8 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.6 | -47.7 | 175.6 | -74.8 | 166 | 0 | 0 | 0 | 112.2 | I68 D74 R81 C82 R100 C101 L104 | I68-L78 HydrophobicContact CD1-CD2 3.72Å; I68-L78 HydrophobicContact CD1-CG 4.09Å; I68-L78 HydrophobicContact CG1-CD2 4.13Å; I68-L78 HydrophobicContact CG1-CG 4.18Å; I68-L78 HydrophobicContact CG2-CD2 4.29Å; D74-L78 WeakPolarHBondContact O-CG 3.4Å; D74-L78 PolarHBondContact O-N 3.07Å; L78-R81 PolarHBondContact O-N 3.23Å; L78-C82 PolarHBondContact O-N 2.74Å; L78-R100 HydrophobicContact CD1-CG 4.07Å; L78-C101 WeakPolarHBondContact CB-SG 3.36Å; L78-L104 HydrophobicContact CD1-CD1 4.11Å |
| 79 | Y | 89.8 | Confident | 86.4 | Confident | 50 Ų | 50 | 52.1 Ų | 52.1 | 20% | 0.196 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.9 | -36.7 | -179.5 | -169 | -118.2 | 0 | 0 | 0 | 112.6 | I75 A77 C82 Q83 F111 T114 | I75-Y79 VanDerWaalsContact O-CB 3.28Å; I75-Y79 WeakPolarHBondContact O-CB 3.41Å; I75-Y79 PolarHBondContact O-N 3.32Å; A77-Y79 PolarHBondContact O-N 3.32Å; Y79-C82 WeakPolarHBondContact O-CB 3.27Å; Y79-C82 PolarHBondContact O-N 3.47Å; Y79-Q83 HydrophobicContact CE1-CG 4.45Å; Y79-Q83 WeakPolarHBondContact O-CG 3.43Å; Y79-Q83 PolarHBondContact O-N 3.28Å; Y79-F111 AromaticContact CD1-CE1 3.97Å; Y79-F111 HydrophobicContact CD1-CE1 3.97Å; Y79-F111 AromaticContact CD2-CD1 3.58Å; Y79-F111 HydrophobicContact CD2-CD1 3.58Å; Y79-F111 AromaticContact CD2-CE1 3.42Å; Y79-F111 HydrophobicContact CD2-CE1 3.42Å; Y79-F111 VanDerWaalsContact CD2-CE1 3.42Å; Y79-F111 HydrophobicContact CE1-CE1 4.25Å; Y79-F111 AromaticContact CE2-CD1 3.62Å; Y79-F111 HydrophobicContact CE2-CD1 3.62Å; Y79-F111 AromaticContact CE2-CE1 3.76Å; Y79-F111 HydrophobicContact CE2-CE1 3.76Å; Y79-F111 HydrophobicContact CG-CD1 4.2Å; Y79-F111 AromaticContact CG-CE1 3.54Å; Y79-F111 HydrophobicContact CG-CE1 3.54Å; Y79-F111 HydrophobicContact CG-CZ 4.45Å; Y79-T114 HydrophobicContact CE2-CG2 4.37Å; Y79-T114 PolarHBondContact OH-OG1 3.17Å |
| 80 | R | 90.5 | Very high | 86.3 | Confident | 57 Ų | 57 | 51.6 Ų | 51.6 | 22% | 0.215 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.7 | -37.8 | 174 | -74.8 | 172.9 | -171.5 | 167.4 | 5.3 | 112 | R45 L52 K76 A77 Q83 A84 | R45-R80 PolarHBondContact O-NH1 3.1Å; L52-R80 HydrophobicContact CD1-CB 3.59Å; L52-R80 HydrophobicContact CD1-CG 3.72Å; K76-R80 VanDerWaalsContact O-CB 3.28Å; K76-R80 WeakPolarHBondContact O-CB 3.3Å; K76-R80 WeakPolarHBondContact O-CD 3.43Å; K76-R80 WeakPolarHBondContact O-CG 3.5Å; K76-R80 PolarHBondContact O-N 3.04Å; A77-R80 PolarHBondContact O-N 2.89Å; R80-Q83 PolarHBondContact O-N 3.29Å; R80-A84 PolarHBondContact O-N 3.34Å |
| 81 | R | 90.7 | Very high | 86.3 | Confident | 39 Ų | 39 | 47.8 Ų | 47.8 | 15% | 0.147 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.3 | -43.6 | 172.8 | -162.2 | 168.5 | 67.6 | -176.3 | -3.1 | 111.5 | V61 A64 S65 I68 A77 L78 Q83 A84 L85 D97 | V61-R81 HydrophobicContact CG1-CG 4.26Å; V61-R81 HydrophobicContact CG2-CG 4.45Å; A64-R81 HydrophobicContact CB-CB 3.64Å; A64-R81 HydrophobicContact CB-CG 4.01Å; S65-R81 VanDerWaalsContact OG-CD 3.25Å; S65-R81 WeakPolarHBondContact OG-CD 3.44Å; S65-R81 PolarHBondContact OG-NH1 3.43Å; S65-R81 VanDerWaalsContact OG-NH1 3.15Å; I68-R81 HydrophobicContact CD1-CB 4.31Å; A77-R81 WeakPolarHBondContact O-CB 3.35Å; A77-R81 PolarHBondContact O-N 3.39Å; L78-R81 PolarHBondContact O-N 3.23Å; R81-Q83 PolarHBondContact O-N 2.92Å; R81-A84 PolarHBondContact O-N 3.39Å; R81-L85 HydrophobicContact CG-CD1 3.86Å; R81-L85 HydrophobicContact CG-CG 4.23Å; R81-L85 WeakPolarHBondContact O-CB 3.48Å; R81-L85 VanDerWaalsContact O-CG 3.27Å; R81-L85 WeakPolarHBondContact O-CG 3.41Å; R81-L85 PolarHBondContact O-N 3.03Å; R81-D97 IonicContact CZ-OD1 2.67Å; R81-D97 IonicContact CZ-OD2 2.65Å; R81-D97 IonicContact NE-OD1 3.29Å; R81-D97 IonicContact NE-OD2 3.98Å; R81-D97 PolarHBondContact NE-OD2 3.44Å; R81-D97 IonicContact NH2-OD1 3.51Å; R81-D97 PolarHBondContact NH2-OD1 3.36Å; R81-D97 IonicContact NH2-OD2 3.81Å; R81-D97 PolarHBondContact NH2-OD2 3.05Å |
| 82 | C | 91.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -54.6 | -49.4 | 173.6 | 176.6 | 0 | 0 | 0 | 0 | 111.6 | L78 Y79 A84 L85 E86 A94 D97 | L78-C82 PolarHBondContact O-N 2.74Å; Y79-C82 WeakPolarHBondContact O-CB 3.27Å; Y79-C82 PolarHBondContact O-N 3.47Å; C82-A84 VanDerWaalsContact C-N 3.35Å; C82-A84 PolarHBondContact O-N 3.08Å; C82-L85 PolarHBondContact O-N 3.09Å; C82-E86 WeakPolarHBondContact O-CB 2.89Å; C82-E86 PolarHBondContact O-N 2.82Å; C82-A94 PolarHBondContact SG-O 3.48Å; C82-D97 HydrophobicContact CB-CB 4.02Å |
| 83 | Q | 90.8 | Very high | 86.7 | Confident | 73 Ų | 73 | 52.7 Ų | 52.7 | 34% | 0.341 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.3 | -41 | 178.4 | -71.9 | 179.2 | -22.9 | 0 | 0 | 112.6 | L52 Y79 R80 R81 K87 | L52-Q83 HydrophobicContact CD2-CB 4.44Å; Y79-Q83 HydrophobicContact CE1-CG 4.45Å; Y79-Q83 WeakPolarHBondContact O-CG 3.43Å; Y79-Q83 PolarHBondContact O-N 3.28Å; R80-Q83 PolarHBondContact O-N 3.29Å; R81-Q83 PolarHBondContact O-N 2.92Å; Q83-K87 WeakPolarHBondContact O-CG 3.1Å; Q83-K87 PolarHBondContact O-N 3.03Å |
| 84 | A | 90.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.7 | -41.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L52 A60 V61 R80 R81 C82 K87 L88 | L52-A84 HydrophobicContact CD2-CB 3.68Å; A60-A84 HydrophobicContact CB-CB 4Å; V61-A84 HydrophobicContact CG2-CB 3.54Å; R80-A84 PolarHBondContact O-N 3.34Å; R81-A84 PolarHBondContact O-N 3.39Å; C82-A84 VanDerWaalsContact C-N 3.35Å; C82-A84 PolarHBondContact O-N 3.08Å; A84-K87 PolarHBondContact O-N 3.38Å; A84-L88 WeakPolarHBondContact O-CG 3.35Å; A84-L88 PolarHBondContact O-N 2.75Å; A84-L88 VanDerWaalsContact O-N 3.1Å |
| 85 | L | 88.9 | Confident | 87.3 | Confident | 7 Ų | 7 | 51.1 Ų | 51.1 | 4% | 0.037 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.6 | -36.7 | 178.6 | -74 | 169.8 | 0 | 0 | 0 | 112.4 | V61 R81 C82 L88 G89 K90 M93 A94 | V61-L85 HydrophobicContact CG1-CD2 4.12Å; V61-L85 HydrophobicContact CG2-CD2 3.88Å; V61-L85 HydrophobicContact CG2-CG 3.92Å; R81-L85 HydrophobicContact CG-CD1 3.86Å; R81-L85 HydrophobicContact CG-CG 4.23Å; R81-L85 WeakPolarHBondContact O-CB 3.48Å; R81-L85 VanDerWaalsContact O-CG 3.27Å; R81-L85 WeakPolarHBondContact O-CG 3.41Å; R81-L85 PolarHBondContact O-N 3.03Å; C82-L85 PolarHBondContact O-N 3.09Å; L85-L88 CarbonylContact O-C 3.51Å; L85-L88 PolarHBondContact O-N 3.32Å; L85-G89 PolarHBondContact O-N 3.47Å; L85-K90 HydrophobicContact CD2-CB 4.04Å; L85-K90 HydrophobicContact CD2-CD 4.06Å; L85-K90 PolarHBondContact O-N 3.36Å; L85-M93 HydrophobicContact CD1-CB 3.78Å; L85-M93 HydrophobicContact CD2-CB 4.39Å; L85-A94 HydrophobicContact CB-CB 3.87Å |
| 86 | E | 89.1 | Confident | 87.4 | Confident | 36 Ų | 36 | 56.3 Ų | 56.3 | 17% | 0.168 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.8 | -47.2 | 173.6 | -178.5 | 175.8 | -167.4 | 0 | 0 | 110.9 | C82 L88 G89 L91 A94 R117 L118 | C82-E86 WeakPolarHBondContact O-CB 2.89Å; C82-E86 PolarHBondContact O-N 2.82Å; E86-L88 VanDerWaalsContact C-N 3.27Å; E86-L88 PolarHBondContact O-N 3.03Å; E86-G89 PolarHBondContact O-N 2.98Å; E86-L91 HydrophobicContact CG-CD2 4.3Å; E86-A94 HydrophobicContact CB-CB 4.48Å; E86-R117 IonicContact OE1-CZ 3.78Å; E86-R117 VanDerWaalsContact OE1-CZ 3.29Å; E86-R117 IonicContact OE1-NE 3.84Å; E86-R117 PolarHBondContact OE1-NE 3.34Å; E86-R117 IonicContact OE1-NH2 3.14Å; E86-R117 PolarHBondContact OE1-NH2 2.86Å; E86-R117 IonicContact OE2-NH2 2.82Å; E86-R117 PolarHBondContact OE2-NH2 2.63Å; E86-L118 HydrophobicContact CG-CD2 4.02Å |
| 87 | K | 85.8 | Confident | 87.5 | Confident | 144 Ų | 144 | 51.1 Ų | 51.1 | 63% | 0.626 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -67.4 | -24.7 | 177 | -66.1 | -64.9 | -175 | -179.8 | 0 | 113.8 | Y57 Q83 A84 G89 | Y57-K87 HydrophobicContact CD1-CB 3.75Å; Y57-K87 HydrophobicContact CD1-CG 4.14Å; Y57-K87 HydrophobicContact CD2-CB 3.92Å; Y57-K87 HydrophobicContact CE1-CB 3.69Å; Y57-K87 HydrophobicContact CE1-CG 3.67Å; Y57-K87 HydrophobicContact CE2-CB 3.88Å; Y57-K87 HydrophobicContact CE2-CG 4.44Å; Y57-K87 HydrophobicContact CG-CB 3.86Å; Q83-K87 WeakPolarHBondContact O-CG 3.1Å; Q83-K87 PolarHBondContact O-N 3.03Å; A84-K87 PolarHBondContact O-N 3.38Å; K87-G89 VanDerWaalsContact C-N 3.31Å |
| 88 | L | 84.3 | Confident | 87.6 | Confident | 75 Ų | 75 | 51.1 Ų | 51.1 | 39% | 0.393 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 1.3 | 172.4 | -70.2 | 172.3 | 0 | 0 | 0 | 113.7 | V61 A84 L85 E86 K90 | V61-L88 HydrophobicContact CG2-CD1 3.98Å; A84-L88 WeakPolarHBondContact O-CG 3.35Å; A84-L88 PolarHBondContact O-N 2.75Å; A84-L88 VanDerWaalsContact O-N 3.1Å; L85-L88 CarbonylContact O-C 3.51Å; L85-L88 PolarHBondContact O-N 3.32Å; E86-L88 VanDerWaalsContact C-N 3.27Å; E86-L88 PolarHBondContact O-N 3.03Å; L88-K90 PolarHBondContact O-N 3.05Å |
| 89 | G | 80.1 | Confident | 87.6 | Confident | 42 Ų | 42 | 55.9 Ų | 55.9 | 43% | 0.433 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 6.3 | -180 | 0 | 0 | 0 | 0 | 0 | 115.1 | L85 E86 K87 L91 | L85-G89 PolarHBondContact O-N 3.47Å; E86-G89 PolarHBondContact O-N 2.98Å; K87-G89 VanDerWaalsContact C-N 3.31Å; G89-L91 VanDerWaalsContact C-N 3.26Å; G89-L91 PolarHBondContact O-N 3.41Å; G89-L91 VanDerWaalsContact O-N 3.07Å |
| 90 | K | 85.3 | Confident | 87.5 | Confident | 116 Ų | 116 | 58.8 Ų | 58.8 | 50% | 0.504 | 28% | 0.278 | S | S | . | . | trans | -86.2 | 63.1 | 178.2 | -66.9 | -174.5 | 178.3 | -178.2 | 0 | 111 | L85 L88 D92 M93 A94 | L85-K90 HydrophobicContact CD2-CB 4.04Å; L85-K90 HydrophobicContact CD2-CD 4.06Å; L85-K90 PolarHBondContact O-N 3.36Å; L88-K90 PolarHBondContact O-N 3.05Å; K90-D92 VanDerWaalsContact C-N 3.35Å; K90-D92 PolarHBondContact O-N 2.57Å; K90-M93 HydrophobicContact CD-SD 4.26Å; K90-M93 PolarHBondContact O-N 2.94Å; K90-A94 PolarHBondContact O-N 3.05Å | ||
| 91 | L | 84.8 | Confident | 87.2 | Confident | 12 Ų | 12 | 56 Ų | 56 | 6% | 0.063 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.7 | -35 | -169.9 | -58.5 | 178.3 | 0 | 0 | 0 | 113.5 | E86 G89 M93 A94 F95 L118 E121 I122 K125 | E86-L91 HydrophobicContact CG-CD2 4.3Å; G89-L91 VanDerWaalsContact C-N 3.26Å; G89-L91 PolarHBondContact O-N 3.41Å; G89-L91 VanDerWaalsContact O-N 3.07Å; L91-M93 VanDerWaalsContact C-N 3.34Å; L91-M93 PolarHBondContact O-N 3.29Å; L91-A94 PolarHBondContact O-N 3.21Å; L91-F95 WeakPolarHBondContact O-CB 3.34Å; L91-F95 PolarHBondContact O-N 3.37Å; L91-L118 HydrophobicContact CD2-CD2 3.82Å; L91-E121 HydrophobicContact CD1-CB 4.38Å; L91-I122 HydrophobicContact CB-CD1 4.09Å; L91-I122 HydrophobicContact CB-CG1 3.76Å; L91-I122 HydrophobicContact CD1-CG1 4.41Å; L91-K125 HydrophobicContact CD1-CD 3.93Å |
| 92 | D | 83.4 | Confident | 87 | Confident | 108 Ų | 108 | 54.9 Ų | 54.9 | 58% | 0.578 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -64.1 | -38.7 | 180 | -58.6 | -43.7 | 0 | 0 | 0 | 112.8 | K90 K96 | K90-D92 VanDerWaalsContact C-N 3.35Å; K90-D92 PolarHBondContact O-N 2.57Å; D92-K96 WeakPolarHBondContact O-CG 3.36Å; D92-K96 PolarHBondContact O-N 2.7Å |
| 93 | M | 85.6 | Confident | 86.7 | Confident | 106 Ų | 106 | 60.1 Ų | 60.1 | 52% | 0.522 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -74.5 | -39.8 | 177.8 | -61.5 | -178.3 | -168.8 | 0 | 0 | 110.6 | L85 K90 L91 F95 K96 D97 | L85-M93 HydrophobicContact CD1-CB 3.78Å; L85-M93 HydrophobicContact CD2-CB 4.39Å; K90-M93 HydrophobicContact CD-SD 4.26Å; K90-M93 PolarHBondContact O-N 2.94Å; L91-M93 VanDerWaalsContact C-N 3.34Å; L91-M93 PolarHBondContact O-N 3.29Å; M93-F95 VanDerWaalsContact C-N 3.31Å; M93-F95 PolarHBondContact O-N 3.43Å; M93-K96 PolarHBondContact O-N 2.95Å; M93-D97 PolarHBondContact O-N 3.16Å; M93-D97 VanDerWaalsContact O-N 3.14Å |
| 94 | A | 87 | Confident | 86.4 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.2 | -41.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | C82 L85 E86 K90 L91 K96 D97 V98 L118 | C82-A94 PolarHBondContact SG-O 3.48Å; L85-A94 HydrophobicContact CB-CB 3.87Å; E86-A94 HydrophobicContact CB-CB 4.48Å; K90-A94 PolarHBondContact O-N 3.05Å; L91-A94 PolarHBondContact O-N 3.21Å; A94-K96 PolarHBondContact O-N 2.65Å; A94-D97 PolarHBondContact O-N 3.12Å; A94-V98 PolarHBondContact O-N 3.28Å; A94-L118 HydrophobicContact CB-CD1 4.11Å |
| 95 | F | 88.2 | Confident | 86.1 | Confident | 52 Ų | 52 | 64.1 Ų | 64.1 | 23% | 0.228 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.2 | -44 | 177.5 | -173.4 | -90 | 0 | 0 | 0 | 112.2 | L91 M93 D97 V98 Q99 L115 L118 I122 | L91-F95 WeakPolarHBondContact O-CB 3.34Å; L91-F95 PolarHBondContact O-N 3.37Å; M93-F95 VanDerWaalsContact C-N 3.31Å; M93-F95 PolarHBondContact O-N 3.43Å; F95-D97 VanDerWaalsContact C-N 3.35Å; F95-D97 PolarHBondContact O-N 2.81Å; F95-V98 VanDerWaalsContact O-CG1 3.31Å; F95-V98 WeakPolarHBondContact O-CG1 3.29Å; F95-V98 PolarHBondContact O-N 3Å; F95-Q99 VanDerWaalsContact O-CB 3.24Å; F95-Q99 WeakPolarHBondContact O-CB 3.29Å; F95-Q99 PolarHBondContact O-N 3.11Å; F95-L115 HydrophobicContact CE2-CD2 4.08Å; F95-L115 HydrophobicContact CE2-CG 3.88Å; F95-L115 HydrophobicContact CZ-CD2 4.11Å; F95-L115 HydrophobicContact CZ-CG 4.12Å; F95-L118 HydrophobicContact CD2-CB 4.05Å; F95-I122 HydrophobicContact CB-CD1 3.81Å; F95-I122 HydrophobicContact CD2-CD1 4.16Å; F95-I122 HydrophobicContact CG-CD1 4.14Å |
| 96 | K | 88.5 | Confident | 85.6 | Confident | 145 Ų | 145 | 68 Ų | 68 | 63% | 0.63 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -62.6 | -41 | 176.7 | -72.4 | 177.3 | -179.1 | -179.2 | 0 | 112.3 | D92 M93 A94 Q99 R100 | D92-K96 WeakPolarHBondContact O-CG 3.36Å; D92-K96 PolarHBondContact O-N 2.7Å; M93-K96 PolarHBondContact O-N 2.95Å; A94-K96 PolarHBondContact O-N 2.65Å; K96-Q99 PolarHBondContact O-N 2.99Å; K96-R100 PolarHBondContact O-N 3.3Å |
| 97 | D | 87.9 | Confident | 85.2 | Confident | 12 Ų | 12 | 75.9 Ų | 75.9 | 6% | 0.064 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66.5 | -44.9 | 179.1 | -77.9 | -14.6 | 0 | 0 | 0 | 111.8 | R81 C82 M93 A94 F95 Q99 R100 C101 | R81-D97 IonicContact CZ-OD1 2.67Å; R81-D97 IonicContact CZ-OD2 2.65Å; R81-D97 IonicContact NE-OD1 3.29Å; R81-D97 IonicContact NE-OD2 3.98Å; R81-D97 PolarHBondContact NE-OD2 3.44Å; R81-D97 IonicContact NH2-OD1 3.51Å; R81-D97 PolarHBondContact NH2-OD1 3.36Å; R81-D97 IonicContact NH2-OD2 3.81Å; R81-D97 PolarHBondContact NH2-OD2 3.05Å; C82-D97 HydrophobicContact CB-CB 4.02Å; M93-D97 PolarHBondContact O-N 3.16Å; M93-D97 VanDerWaalsContact O-N 3.14Å; A94-D97 PolarHBondContact O-N 3.12Å; F95-D97 VanDerWaalsContact C-N 3.35Å; F95-D97 PolarHBondContact O-N 2.81Å; D97-Q99 VanDerWaalsContact C-N 3.34Å; D97-Q99 PolarHBondContact O-N 2.78Å; D97-R100 PolarHBondContact O-N 3.31Å; D97-C101 PolarHBondContact O-N 3.35Å; D97-C101 PolarHBondContact O-SG 3.31Å; D97-C101 VanDerWaalsContact O-SG 3.34Å |
| 98 | V | 88.7 | Confident | 85.1 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -70 | -30.9 | 176.8 | 74.7 | 0 | 0 | 0 | 0 | 112.7 | A94 F95 R100 C101 A102 F111 T114 L115 L118 | A94-V98 PolarHBondContact O-N 3.28Å; F95-V98 VanDerWaalsContact O-CG1 3.31Å; F95-V98 WeakPolarHBondContact O-CG1 3.29Å; F95-V98 PolarHBondContact O-N 3Å; V98-R100 VanDerWaalsContact C-N 3.33Å; V98-C101 WeakPolarHBondContact O-CB 3.45Å; V98-C101 PolarHBondContact O-N 3.31Å; V98-A102 WeakPolarHBondContact O-CB 3.13Å; V98-A102 PolarHBondContact O-N 2.95Å; V98-F111 HydrophobicContact CG2-CB 4.3Å; V98-T114 HydrophobicContact CG2-CG2 4.04Å; V98-L115 HydrophobicContact CG1-CB 4Å; V98-L115 HydrophobicContact CG1-CD1 4.26Å; V98-L115 HydrophobicContact CG1-CG 4.25Å; V98-L115 HydrophobicContact CG2-CB 4.46Å; V98-L118 HydrophobicContact CG1-CD1 4.01Å |
| 99 | Q | 89.3 | Confident | 85.1 | Confident | 99 Ų | 99 | 75.1 Ų | 75.1 | 46% | 0.463 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.2 | -40.8 | 172.7 | -175.3 | 178.9 | 19.9 | 0 | 0 | 111.5 | F95 K96 D97 A102 T103 L115 | F95-Q99 VanDerWaalsContact O-CB 3.24Å; F95-Q99 WeakPolarHBondContact O-CB 3.29Å; F95-Q99 PolarHBondContact O-N 3.11Å; K96-Q99 PolarHBondContact O-N 2.99Å; D97-Q99 VanDerWaalsContact C-N 3.34Å; D97-Q99 PolarHBondContact O-N 2.78Å; Q99-A102 PolarHBondContact O-N 2.67Å; Q99-T103 PolarHBondContact O-N 2.99Å; Q99-T103 PolarHBondContact O-OG1 3.39Å; Q99-L115 HydrophobicContact CB-CD1 3.9Å; Q99-L115 HydrophobicContact CG-CD1 4.29Å |
| 100 | R | 86.6 | Confident | 85.3 | Confident | 111 Ų | 111 | 76.2 Ų | 76.2 | 42% | 0.419 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.5 | -44 | 173.2 | -167.3 | 174.3 | -179.8 | 165.7 | 2.6 | 111.2 | A72 L78 K96 D97 V98 A102 T103 L104 | A72-R100 PolarHBondContact O-NE 3.33Å; A72-R100 PolarHBondContact O-NH2 2.71Å; L78-R100 HydrophobicContact CD1-CG 4.07Å; K96-R100 PolarHBondContact O-N 3.3Å; D97-R100 PolarHBondContact O-N 3.31Å; V98-R100 VanDerWaalsContact C-N 3.33Å; R100-A102 VanDerWaalsContact C-N 3.33Å; R100-A102 PolarHBondContact O-N 2.7Å; R100-T103 PolarHBondContact O-N 3.12Å; R100-L104 HydrophobicContact CG-CD1 4.35Å; R100-L104 WeakPolarHBondContact O-CG 3.41Å; R100-L104 PolarHBondContact O-N 3.05Å |
| 101 | C | 85.7 | Confident | 85.3 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -57.8 | -43.1 | 172.9 | -66 | 0 | 0 | 0 | 0 | 112.5 | I75 L78 D97 V98 T103 L104 E105 F111 | I75-C101 HydrophobicContact CG2-CB 4.41Å; L78-C101 WeakPolarHBondContact CB-SG 3.36Å; D97-C101 PolarHBondContact O-N 3.35Å; D97-C101 PolarHBondContact O-SG 3.31Å; D97-C101 VanDerWaalsContact O-SG 3.34Å; V98-C101 WeakPolarHBondContact O-CB 3.45Å; V98-C101 PolarHBondContact O-N 3.31Å; C101-T103 VanDerWaalsContact C-N 3.3Å; C101-T103 PolarHBondContact O-N 3.28Å; C101-L104 PolarHBondContact O-N 2.66Å; C101-E105 PolarHBondContact O-N 3.08Å; C101-F111 HydrophobicContact CB-CD1 4.28Å; C101-F111 HydrophobicContact CB-CD2 3.87Å; C101-F111 HydrophobicContact CB-CE1 4.47Å; C101-F111 HydrophobicContact CB-CE2 4.07Å; C101-F111 HydrophobicContact CB-CG 4Å; C101-F111 HydrophobicContact CB-CZ 4.37Å |
| 102 | A | 85.8 | Confident | 85.2 | Confident | 14 Ų | 14 | 74 Ų | 74 | 12% | 0.116 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -69.3 | -26.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | V98 Q99 R100 E105 P106 F111 L112 L115 | V98-A102 WeakPolarHBondContact O-CB 3.13Å; V98-A102 PolarHBondContact O-N 2.95Å; Q99-A102 PolarHBondContact O-N 2.67Å; R100-A102 VanDerWaalsContact C-N 3.33Å; R100-A102 PolarHBondContact O-N 2.7Å; A102-E105 CarbonylContact O-C 3.48Å; A102-P106 VanDerWaalsContact O-CA 3.25Å; A102-P106 WeakPolarHBondContact O-CA 2.87Å; A102-F111 HydrophobicContact CB-CB 4.35Å; A102-L112 HydrophobicContact CB-CD2 4.38Å; A102-L115 HydrophobicContact CB-CD1 4.24Å |
| 103 | T | 85.9 | Confident | 85.4 | Confident | 110 Ų | 110 | 74.7 Ų | 74.7 | 68% | 0.675 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -76.6 | -37.1 | 174.7 | -54.1 | 0 | 0 | 0 | 0 | 111.1 | Q99 R100 C101 | Q99-T103 PolarHBondContact O-N 2.99Å; Q99-T103 PolarHBondContact O-OG1 3.39Å; R100-T103 PolarHBondContact O-N 3.12Å; C101-T103 VanDerWaalsContact C-N 3.3Å; C101-T103 PolarHBondContact O-N 3.28Å |
| 104 | L | 83.4 | Confident | 85.3 | Confident | 79 Ų | 79 | 70.1 Ų | 70.1 | 41% | 0.414 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -74.1 | -37.5 | 176.6 | -66.1 | 171.4 | 0 | 0 | 0 | 112.3 | I75 L78 R100 C101 | I75-L104 HydrophobicContact CD1-CB 4Å; I75-L104 HydrophobicContact CG1-CB 4.01Å; I75-L104 HydrophobicContact CG1-CD1 3.86Å; L78-L104 HydrophobicContact CD1-CD1 4.11Å; R100-L104 HydrophobicContact CG-CD1 4.35Å; R100-L104 WeakPolarHBondContact O-CG 3.41Å; R100-L104 PolarHBondContact O-N 3.05Å; C101-L104 PolarHBondContact O-N 2.66Å |
| 105 | E | 83.6 | Confident | 85.3 | Confident | 79 Ų | 79 | 72.1 Ų | 72.1 | 37% | 0.369 | 35% | 0.354 | S | S | . | . | trans | -127 | 79.9 | 176.2 | -79.4 | -176.2 | -172 | 0 | 0 | 112.4 | I75 C101 A102 K107 N108 F111 | I75-E105 HydrophobicContact CD1-CG 3.72Å; I75-E105 WeakPolarHBondContact CD1-OE1 3.48Å; C101-E105 PolarHBondContact O-N 3.08Å; A102-E105 CarbonylContact O-C 3.48Å; E105-K107 PolarHBondContact O-N 3.42Å; E105-K107 VanDerWaalsContact O-N 3.14Å; E105-N108 HydrophobicContact CB-CB 4.1Å; E105-N108 PolarHBondContact O-N 3.39Å; E105-N108 PolarHBondContact OE2-ND2 3.31Å; E105-F111 HydrophobicContact CB-CD2 4.25Å; E105-F111 HydrophobicContact CB-CE2 4.13Å; E105-F111 WeakPolarHBondContact OE2-CE2 3.32Å | ||
| 106 | P | 78.4 | Confident | 85.2 | Confident | 89 Ų | 89 | 78.8 Ų | 78.8 | 58% | 0.578 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -13.4 | -175.5 | 24.6 | -32.7 | 0 | 0 | 0 | 114.4 | A102 | A102-P106 VanDerWaalsContact O-CA 3.25Å; A102-P106 WeakPolarHBondContact O-CA 2.87Å |
| 107 | K | 80.8 | Confident | 85.3 | Confident | 201 Ų | 201 | 77.3 Ų | 77.3 | 87% | 0.874 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -7.4 | 178.9 | -67.7 | -176.3 | 179.5 | 178.6 | 0 | 113.7 | E105 K109 | E105-K107 PolarHBondContact O-N 3.42Å; E105-K107 VanDerWaalsContact O-N 3.14Å; K107-K109 PolarHBondContact O-N 3.09Å |
| 108 | N | 84.9 | Confident | 85.2 | Confident | 44 Ų | 44 | 76.8 Ų | 76.8 | 24% | 0.235 | 37% | 0.365 | C | S | . | . | trans | -83.2 | 109.2 | -175.6 | -167.1 | -24 | 0 | 0 | 0 | 111.2 | E105 T110 F111 L112 | E105-N108 HydrophobicContact CB-CB 4.1Å; E105-N108 PolarHBondContact O-N 3.39Å; E105-N108 PolarHBondContact OE2-ND2 3.31Å; N108-T110 VanDerWaalsContact C-N 3.26Å; N108-T110 PolarHBondContact O-N 3.13Å; N108-T110 PolarHBondContact OD1-N 3.28Å; N108-T110 PolarHBondContact OD1-OG1 3.37Å; N108-F111 HydrophobicContact CB-CD2 3.66Å; N108-F111 HydrophobicContact CB-CE2 4Å; N108-F111 HydrophobicContact CB-CG 4.33Å; N108-F111 VanDerWaalsContact ND2-CE2 3.26Å; N108-F111 WeakPolarHBondContact ND2-CE2 3.41Å; N108-F111 PolarHBondContact O-N 3.05Å; N108-L112 PolarHBondContact O-N 3.15Å | ||
| 109 | K | 82.7 | Confident | 85 | Confident | 158 Ų | 158 | 77.6 Ų | 77.6 | 69% | 0.687 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -59.4 | -35 | -177.4 | -68 | -175.7 | 177.6 | -179 | 0 | 113 | K107 F111 L112 E113 | K107-K109 PolarHBondContact O-N 3.09Å; K109-F111 PolarHBondContact O-N 2.65Å; K109-L112 PolarHBondContact O-N 3.45Å; K109-E113 WeakPolarHBondContact O-CB 3.36Å; K109-E113 WeakPolarHBondContact O-CG 3.45Å; K109-E113 PolarHBondContact O-N 3.21Å |
| 110 | T | 84.8 | Confident | 84.8 | Confident | 65 Ų | 65 | 75.6 Ų | 75.6 | 40% | 0.399 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.4 | -36.9 | -176.4 | 63 | 0 | 0 | 0 | 0 | 112.8 | N108 T114 | N108-T110 VanDerWaalsContact C-N 3.26Å; N108-T110 PolarHBondContact O-N 3.13Å; N108-T110 PolarHBondContact OD1-N 3.28Å; N108-T110 PolarHBondContact OD1-OG1 3.37Å; T110-T114 WeakPolarHBondContact O-CB 3.39Å; T110-T114 PolarHBondContact O-N 3.24Å; T110-T114 PolarHBondContact O-OG1 3.06Å |
| 111 | F | 84.7 | Confident | 84.5 | Confident | 12 Ų | 12 | 73.8 Ų | 73.8 | 5% | 0.053 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -72.2 | -40.5 | 176.9 | -58.5 | -28.5 | 0 | 0 | 0 | 111.7 | I75 Y79 V98 C101 A102 E105 N108 K109 T114 L115 | I75-F111 HydrophobicContact CG2-CE2 3.59Å; I75-F111 HydrophobicContact CG2-CZ 3.52Å; Y79-F111 AromaticContact CD1-CE1 3.97Å; Y79-F111 HydrophobicContact CD1-CE1 3.97Å; Y79-F111 AromaticContact CD2-CD1 3.58Å; Y79-F111 HydrophobicContact CD2-CD1 3.58Å; Y79-F111 AromaticContact CD2-CE1 3.42Å; Y79-F111 HydrophobicContact CD2-CE1 3.42Å; Y79-F111 VanDerWaalsContact CD2-CE1 3.42Å; Y79-F111 HydrophobicContact CE1-CE1 4.25Å; Y79-F111 AromaticContact CE2-CD1 3.62Å; Y79-F111 HydrophobicContact CE2-CD1 3.62Å; Y79-F111 AromaticContact CE2-CE1 3.76Å; Y79-F111 HydrophobicContact CE2-CE1 3.76Å; Y79-F111 HydrophobicContact CG-CD1 4.2Å; Y79-F111 AromaticContact CG-CE1 3.54Å; Y79-F111 HydrophobicContact CG-CE1 3.54Å; Y79-F111 HydrophobicContact CG-CZ 4.45Å; V98-F111 HydrophobicContact CG2-CB 4.3Å; C101-F111 HydrophobicContact CB-CD1 4.28Å; C101-F111 HydrophobicContact CB-CD2 3.87Å; C101-F111 HydrophobicContact CB-CE1 4.47Å; C101-F111 HydrophobicContact CB-CE2 4.07Å; C101-F111 HydrophobicContact CB-CG 4Å; C101-F111 HydrophobicContact CB-CZ 4.37Å; A102-F111 HydrophobicContact CB-CB 4.35Å; E105-F111 HydrophobicContact CB-CD2 4.25Å; E105-F111 HydrophobicContact CB-CE2 4.13Å; E105-F111 WeakPolarHBondContact OE2-CE2 3.32Å; N108-F111 HydrophobicContact CB-CD2 3.66Å; N108-F111 HydrophobicContact CB-CE2 4Å; N108-F111 HydrophobicContact CB-CG 4.33Å; N108-F111 VanDerWaalsContact ND2-CE2 3.26Å; N108-F111 WeakPolarHBondContact ND2-CE2 3.41Å; N108-F111 PolarHBondContact O-N 3.05Å; K109-F111 PolarHBondContact O-N 2.65Å; F111-T114 PolarHBondContact O-N 3.21Å; F111-L115 VanDerWaalsContact O-CB 3.25Å; F111-L115 WeakPolarHBondContact O-CB 3.41Å; F111-L115 PolarHBondContact O-N 2.77Å |
| 112 | L | 83.9 | Confident | 84.3 | Confident | 69 Ų | 69 | 75 Ų | 75 | 36% | 0.361 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.8 | -39.9 | 176.5 | -65.6 | 174.7 | 0 | 0 | 0 | 112.1 | A102 N108 K109 R116 | A102-L112 HydrophobicContact CB-CD2 4.38Å; N108-L112 PolarHBondContact O-N 3.15Å; K109-L112 PolarHBondContact O-N 3.45Å; L112-R116 WeakPolarHBondContact O-CG 3.42Å; L112-R116 PolarHBondContact O-N 2.83Å; L112-R116 VanDerWaalsContact O-N 3.07Å |
| 113 | E | 86.3 | Confident | 83.9 | Confident | 124 Ų | 124 | 80.2 Ų | 80.2 | 58% | 0.579 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -66.6 | -45.4 | 174.9 | -75.4 | 172 | -173.1 | 0 | 0 | 112 | K109 L115 R116 R117 | K109-E113 WeakPolarHBondContact O-CB 3.36Å; K109-E113 WeakPolarHBondContact O-CG 3.45Å; K109-E113 PolarHBondContact O-N 3.21Å; E113-L115 VanDerWaalsContact C-N 3.32Å; E113-L115 PolarHBondContact O-N 3.11Å; E113-R116 PolarHBondContact O-N 2.95Å; E113-R117 PolarHBondContact O-N 3.43Å |
| 114 | T | 84.9 | Confident | 83.4 | Confident | 10 Ų | 10 | 77.5 Ų | 77.5 | 6% | 0.061 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.9 | -39.2 | 177.8 | -54.3 | 0 | 0 | 0 | 0 | 111.2 | Y79 V98 T110 F111 R117 L118 | Y79-T114 HydrophobicContact CE2-CG2 4.37Å; Y79-T114 PolarHBondContact OH-OG1 3.17Å; V98-T114 HydrophobicContact CG2-CG2 4.04Å; T110-T114 WeakPolarHBondContact O-CB 3.39Å; T110-T114 PolarHBondContact O-N 3.24Å; T110-T114 PolarHBondContact O-OG1 3.06Å; F111-T114 PolarHBondContact O-N 3.21Å; T114-R117 PolarHBondContact O-N 3.29Å; T114-L118 HydrophobicContact CG2-CD1 4.02Å; T114-L118 HydrophobicContact CG2-CG 4.46Å; T114-L118 WeakPolarHBondContact O-CB 3.45Å; T114-L118 WeakPolarHBondContact O-CG 3.46Å; T114-L118 PolarHBondContact O-N 3.25Å |
| 115 | L | 86.7 | Confident | 82.7 | Confident | 42 Ų | 42 | 79.1 Ų | 79.1 | 22% | 0.22 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66.2 | -41.1 | 176.7 | -170.3 | 145.9 | 0 | 0 | 0 | 112.2 | F95 V98 Q99 A102 F111 E113 G119 | F95-L115 HydrophobicContact CE2-CD2 4.08Å; F95-L115 HydrophobicContact CE2-CG 3.88Å; F95-L115 HydrophobicContact CZ-CD2 4.11Å; F95-L115 HydrophobicContact CZ-CG 4.12Å; V98-L115 HydrophobicContact CG1-CB 4Å; V98-L115 HydrophobicContact CG1-CD1 4.26Å; V98-L115 HydrophobicContact CG1-CG 4.25Å; V98-L115 HydrophobicContact CG2-CB 4.46Å; Q99-L115 HydrophobicContact CB-CD1 3.9Å; Q99-L115 HydrophobicContact CG-CD1 4.29Å; A102-L115 HydrophobicContact CB-CD1 4.24Å; F111-L115 VanDerWaalsContact O-CB 3.25Å; F111-L115 WeakPolarHBondContact O-CB 3.41Å; F111-L115 PolarHBondContact O-N 2.77Å; E113-L115 VanDerWaalsContact C-N 3.32Å; E113-L115 PolarHBondContact O-N 3.11Å; L115-G119 PolarHBondContact O-N 3.26Å |
| 116 | R | 86.3 | Confident | 81.8 | Confident | 192 Ų | 192 | 79.4 Ų | 79.4 | 73% | 0.725 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -64.3 | -43.3 | 173.7 | -74.9 | 178 | -173.4 | 168.9 | 2.4 | 112 | L112 E113 G119 A120 | L112-R116 WeakPolarHBondContact O-CG 3.42Å; L112-R116 PolarHBondContact O-N 2.83Å; L112-R116 VanDerWaalsContact O-N 3.07Å; E113-R116 PolarHBondContact O-N 2.95Å; R116-G119 PolarHBondContact O-N 3.39Å; R116-A120 WeakPolarHBondContact O-CB 3.16Å; R116-A120 PolarHBondContact O-N 2.98Å |
| 117 | R | 90.3 | Very high | 81.2 | Confident | 114 Ų | 114 | 82.6 Ų | 82.6 | 43% | 0.43 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.3 | -54 | 177.6 | -176.3 | -178.5 | 72 | -143.6 | -2.1 | 111.3 | E86 E113 T114 G119 A120 E121 | E86-R117 IonicContact OE1-CZ 3.78Å; E86-R117 VanDerWaalsContact OE1-CZ 3.29Å; E86-R117 IonicContact OE1-NE 3.84Å; E86-R117 PolarHBondContact OE1-NE 3.34Å; E86-R117 IonicContact OE1-NH2 3.14Å; E86-R117 PolarHBondContact OE1-NH2 2.86Å; E86-R117 IonicContact OE2-NH2 2.82Å; E86-R117 PolarHBondContact OE2-NH2 2.63Å; E113-R117 PolarHBondContact O-N 3.43Å; T114-R117 PolarHBondContact O-N 3.29Å; R117-G119 VanDerWaalsContact C-N 3.29Å; R117-G119 PolarHBondContact O-N 3.49Å; R117-A120 PolarHBondContact O-N 3.48Å; R117-A120 VanDerWaalsContact O-N 3.12Å; R117-E121 WeakPolarHBondContact CG-OE1 3.44Å; R117-E121 IonicContact NE-OE1 2.92Å; R117-E121 PolarHBondContact O-N 2.94Å |
| 118 | L | 86 | Confident | 80.2 | Confident | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.3 | -39 | 179.5 | -73.5 | 173.4 | 0 | 0 | 0 | 111.6 | E86 L91 A94 F95 V98 T114 A120 E121 I122 | E86-L118 HydrophobicContact CG-CD2 4.02Å; L91-L118 HydrophobicContact CD2-CD2 3.82Å; A94-L118 HydrophobicContact CB-CD1 4.11Å; F95-L118 HydrophobicContact CD2-CB 4.05Å; V98-L118 HydrophobicContact CG1-CD1 4.01Å; T114-L118 HydrophobicContact CG2-CD1 4.02Å; T114-L118 HydrophobicContact CG2-CG 4.46Å; T114-L118 WeakPolarHBondContact O-CB 3.45Å; T114-L118 WeakPolarHBondContact O-CG 3.46Å; T114-L118 PolarHBondContact O-N 3.25Å; L118-A120 PolarHBondContact O-N 3.11Å; L118-E121 PolarHBondContact O-N 2.93Å; L118-I122 WeakPolarHBondContact O-CB 3.41Å; L118-I122 WeakPolarHBondContact O-CD1 3.39Å; L118-I122 WeakPolarHBondContact O-CG1 3.4Å; L118-I122 PolarHBondContact O-N 3.02Å |
| 119 | G | 83.8 | Confident | 78.8 | Confident | 18 Ų | 18 | 79.6 Ų | 79.6 | 19% | 0.186 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | L115 R116 R117 Q123 | L115-G119 PolarHBondContact O-N 3.26Å; R116-G119 PolarHBondContact O-N 3.39Å; R117-G119 VanDerWaalsContact C-N 3.29Å; R117-G119 PolarHBondContact O-N 3.49Å; G119-Q123 WeakPolarHBondContact O-CB 3.45Å; G119-Q123 WeakPolarHBondContact O-CG 3.48Å; G119-Q123 PolarHBondContact O-N 3.28Å |
| 120 | A | 84.7 | Confident | 77.6 | Confident | 57 Ų | 57 | 78.1 Ų | 78.1 | 47% | 0.471 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67.5 | -40.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R116 R117 L118 Q123 A124 | R116-A120 WeakPolarHBondContact O-CB 3.16Å; R116-A120 PolarHBondContact O-N 2.98Å; R117-A120 PolarHBondContact O-N 3.48Å; R117-A120 VanDerWaalsContact O-N 3.12Å; L118-A120 PolarHBondContact O-N 3.11Å; A120-Q123 PolarHBondContact O-N 3.14Å; A120-A124 WeakPolarHBondContact O-CB 3.42Å; A120-A124 PolarHBondContact O-N 2.9Å |
| 121 | E | 81.8 | Confident | 76.7 | Confident | 73 Ų | 73 | 76.8 Ų | 76.8 | 34% | 0.341 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.3 | -41.3 | 177 | -74.2 | 177.5 | -164.9 | 0 | 0 | 112.6 | L91 R117 L118 A124 K125 | L91-E121 HydrophobicContact CD1-CB 4.38Å; R117-E121 WeakPolarHBondContact CG-OE1 3.44Å; R117-E121 IonicContact NE-OE1 2.92Å; R117-E121 PolarHBondContact O-N 2.94Å; L118-E121 PolarHBondContact O-N 2.93Å; E121-A124 PolarHBondContact O-N 3.47Å; E121-K125 PolarHBondContact O-N 3.15Å |
| 122 | I | 80.8 | Confident | 75.8 | Confident | 26 Ų | 26 | 78.9 Ų | 78.9 | 13% | 0.133 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 174.3 | -68.8 | 166.5 | 0 | 0 | 0 | 110 | L91 F95 L118 A124 K125 L126 | L91-I122 HydrophobicContact CB-CD1 4.09Å; L91-I122 HydrophobicContact CB-CG1 3.76Å; L91-I122 HydrophobicContact CD1-CG1 4.41Å; F95-I122 HydrophobicContact CB-CD1 3.81Å; F95-I122 HydrophobicContact CD2-CD1 4.16Å; F95-I122 HydrophobicContact CG-CD1 4.14Å; L118-I122 WeakPolarHBondContact O-CB 3.41Å; L118-I122 WeakPolarHBondContact O-CD1 3.39Å; L118-I122 WeakPolarHBondContact O-CG1 3.4Å; L118-I122 PolarHBondContact O-N 3.02Å; I122-A124 VanDerWaalsContact C-N 3.33Å; I122-A124 PolarHBondContact O-N 3.49Å; I122-K125 PolarHBondContact O-N 2.9Å; I122-L126 HydrophobicContact CG2-CD1 3.76Å; I122-L126 HydrophobicContact CG2-CG 4.36Å; I122-L126 WeakPolarHBondContact O-CB 3.35Å; I122-L126 VanDerWaalsContact O-CG 3.25Å; I122-L126 WeakPolarHBondContact O-CG 3.42Å; I122-L126 PolarHBondContact O-N 3.42Å |
| 123 | Q | 76.6 | Confident | 75.1 | Confident | 123 Ų | 123 | 77.8 Ų | 77.8 | 58% | 0.575 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.4 | -37.5 | 175.2 | -77 | -175.6 | 5.5 | 0 | 0 | 112.7 | G119 A120 K127 | G119-Q123 WeakPolarHBondContact O-CB 3.45Å; G119-Q123 WeakPolarHBondContact O-CG 3.48Å; G119-Q123 PolarHBondContact O-N 3.28Å; A120-Q123 PolarHBondContact O-N 3.14Å; Q123-K127 WeakPolarHBondContact O-CB 3.32Å; Q123-K127 VanDerWaalsContact O-CG 3.26Å; Q123-K127 WeakPolarHBondContact O-CG 3.47Å; Q123-K127 PolarHBondContact O-N 3.25Å |
| 124 | A | 75.3 | Confident | 74.4 | Confident | 53 Ų | 53 | 73.6 Ų | 73.6 | 44% | 0.438 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.8 | -44.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A120 E121 I122 K127 T128 | A120-A124 WeakPolarHBondContact O-CB 3.42Å; A120-A124 PolarHBondContact O-N 2.9Å; E121-A124 PolarHBondContact O-N 3.47Å; I122-A124 VanDerWaalsContact C-N 3.33Å; I122-A124 PolarHBondContact O-N 3.49Å; A124-K127 PolarHBondContact O-N 3.1Å; A124-T128 PolarHBondContact O-N 3.05Å; A124-T128 PolarHBondContact O-OG1 3.08Å |
| 125 | K | 69.3 | Low | 73.8 | Confident | 112 Ų | 112 | 78.6 Ų | 78.6 | 49% | 0.487 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.3 | -38.9 | 174.3 | -80.7 | -169.2 | 180 | 179.9 | 0 | 112.7 | L91 E121 I122 T128 T129 | L91-K125 HydrophobicContact CD1-CD 3.93Å; E121-K125 PolarHBondContact O-N 3.15Å; I122-K125 PolarHBondContact O-N 2.9Å; K125-T128 WeakPolarHBondContact CA-OG1 3.5Å; K125-T128 PolarHBondContact O-N 2.97Å; K125-T128 PolarHBondContact O-OG1 3.49Å; K125-T129 WeakPolarHBondContact O-CB 3.38Å; K125-T129 PolarHBondContact O-N 3.29Å; K125-T129 PolarHBondContact O-OG1 3.07Å |
| 126 | L | 64.8 | Low | 73.4 | Confident | 86 Ų | 86 | 76.7 Ų | 76.7 | 45% | 0.45 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.3 | -44.3 | 173.3 | -73.4 | 166.4 | 0 | 0 | 0 | 109.9 | I122 T128 T129 F130 | I122-L126 HydrophobicContact CG2-CD1 3.76Å; I122-L126 HydrophobicContact CG2-CG 4.36Å; I122-L126 WeakPolarHBondContact O-CB 3.35Å; I122-L126 VanDerWaalsContact O-CG 3.25Å; I122-L126 WeakPolarHBondContact O-CG 3.42Å; I122-L126 PolarHBondContact O-N 3.42Å; L126-T128 VanDerWaalsContact C-N 3.33Å; L126-T128 PolarHBondContact O-N 3.49Å; L126-T129 PolarHBondContact O-N 3.42Å; L126-F130 HydrophobicContact CB-CD2 4.44Å; L126-F130 HydrophobicContact CD2-CD2 4.24Å; L126-F130 HydrophobicContact CD2-CE2 3.67Å; L126-F130 VanDerWaalsContact O-CB 3.26Å; L126-F130 WeakPolarHBondContact O-CB 3.42Å; L126-F130 WeakPolarHBondContact O-CD2 3.32Å; L126-F130 PolarHBondContact O-N 2.83Å |
| 127 | K | 66.5 | Low | 73.1 | Confident | 156 Ų | 156 | 71.2 Ų | 71.2 | 68% | 0.678 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -60.5 | -38.5 | 176.5 | -76.4 | 174.2 | -178.7 | -178.7 | 0 | 113.2 | Q123 A124 S131 | Q123-K127 WeakPolarHBondContact O-CB 3.32Å; Q123-K127 VanDerWaalsContact O-CG 3.26Å; Q123-K127 WeakPolarHBondContact O-CG 3.47Å; Q123-K127 PolarHBondContact O-N 3.25Å; A124-K127 PolarHBondContact O-N 3.1Å; K127-S131 PolarHBondContact O-N 3.43Å; K127-S131 VanDerWaalsContact O-N 3.11Å |
| 128 | T | 59 | Low | 72.7 | Confident | 89 Ų | 89 | 70 Ų | 70 | 55% | 0.546 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -74.8 | -40.4 | 177.4 | 49.6 | 0 | 0 | 0 | 0 | 112.8 | A124 K125 L126 F130 S131 S134 | A124-T128 PolarHBondContact O-N 3.05Å; A124-T128 PolarHBondContact O-OG1 3.08Å; K125-T128 WeakPolarHBondContact CA-OG1 3.5Å; K125-T128 PolarHBondContact O-N 2.97Å; K125-T128 PolarHBondContact O-OG1 3.49Å; L126-T128 VanDerWaalsContact C-N 3.33Å; L126-T128 PolarHBondContact O-N 3.49Å; T128-F130 VanDerWaalsContact C-N 3.31Å; T128-F130 PolarHBondContact O-N 3.2Å; T128-S131 WeakPolarHBondContact O-CB 3.43Å; T128-S131 PolarHBondContact O-N 3.09Å; T128-S131 VanDerWaalsContact O-N 3.12Å; T128-S134 PolarHBondContact O-OG 2.72Å |
| 129 | T | 55.9 | Low | 72.5 | Confident | 92 Ų | 92 | 71.4 Ų | 71.4 | 56% | 0.564 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -70.1 | -28.7 | 177.7 | -44.9 | 0 | 0 | 0 | 0 | 112.2 | K125 L126 S131 S134 | K125-T129 WeakPolarHBondContact O-CB 3.38Å; K125-T129 PolarHBondContact O-N 3.29Å; K125-T129 PolarHBondContact O-OG1 3.07Å; L126-T129 PolarHBondContact O-N 3.42Å; T129-S131 VanDerWaalsContact C-N 3.35Å; T129-S134 PolarHBondContact O-OG 3.37Å |
| 130 | F | 57.6 | Low | 72.3 | Confident | 127 Ų | 127 | 70.5 Ų | 70.5 | 56% | 0.557 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -1.1 | 173.2 | -75 | -103.6 | 0 | 0 | 0 | 112.8 | L126 T128 T132 R135 | L126-F130 HydrophobicContact CB-CD2 4.44Å; L126-F130 HydrophobicContact CD2-CD2 4.24Å; L126-F130 HydrophobicContact CD2-CE2 3.67Å; L126-F130 VanDerWaalsContact O-CB 3.26Å; L126-F130 WeakPolarHBondContact O-CB 3.42Å; L126-F130 WeakPolarHBondContact O-CD2 3.32Å; L126-F130 PolarHBondContact O-N 2.83Å; T128-F130 VanDerWaalsContact C-N 3.31Å; T128-F130 PolarHBondContact O-N 3.2Å; F130-T132 PolarHBondContact O-N 3.02Å; F130-R135 VanDerWaalsContact CD1-NH2 3.27Å |
| 131 | S | 66.7 | Low | 72.2 | Confident | 38 Ų | 38 | 71.6 Ų | 71.6 | 27% | 0.266 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -64.3 | 135.2 | 174.9 | -177.3 | 0 | 0 | 0 | 0 | 109.9 | K127 T128 T129 D133 S134 R135 | K127-S131 PolarHBondContact O-N 3.43Å; K127-S131 VanDerWaalsContact O-N 3.11Å; T128-S131 WeakPolarHBondContact O-CB 3.43Å; T128-S131 PolarHBondContact O-N 3.09Å; T128-S131 VanDerWaalsContact O-N 3.12Å; T129-S131 VanDerWaalsContact C-N 3.35Å; S131-D133 PolarHBondContact O-N 3.34Å; S131-D133 VanDerWaalsContact O-N 3.15Å; S131-D133 PolarHBondContact OG-N 3.24Å; S131-S134 PolarHBondContact O-N 3.37Å; S131-S134 PolarHBondContact O-OG 3.04Å; S131-R135 PolarHBondContact O-N 3.16Å |
| 132 | T | 65.4 | Low | 72.3 | Confident | 56 Ų | 56 | 70.9 Ų | 70.9 | 34% | 0.344 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -53.4 | -31.9 | 175.2 | 42.8 | 0 | 0 | 0 | 0 | 112.1 | F130 R135 V136 | F130-T132 PolarHBondContact O-N 3.02Å; T132-R135 PolarHBondContact O-N 3.44Å; T132-V136 WeakPolarHBondContact O-CG2 3.46Å; T132-V136 PolarHBondContact O-N 2.91Å |
| 133 | D | 67.8 | Low | 72.2 | Confident | 46 Ų | 46 | 70 Ų | 70 | 25% | 0.246 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.3 | -47 | -179.4 | -62.2 | -19.9 | 0 | 0 | 0 | 112.1 | S131 R135 V136 Q137 R172 | S131-D133 PolarHBondContact O-N 3.34Å; S131-D133 VanDerWaalsContact O-N 3.15Å; S131-D133 PolarHBondContact OG-N 3.24Å; D133-R135 VanDerWaalsContact C-N 3.3Å; D133-R135 PolarHBondContact O-N 3.06Å; D133-V136 PolarHBondContact O-N 3.41Å; D133-Q137 PolarHBondContact O-N 3.27Å; D133-Q137 VanDerWaalsContact O-N 3.08Å; D133-R172 VanDerWaalsContact CG-NH1 3.34Å; D133-R172 WeakPolarHBondContact OD1-CD 3.49Å; D133-R172 WeakPolarHBondContact OD1-CG 3.43Å; D133-R172 IonicContact OD1-CZ 3.85Å; D133-R172 IonicContact OD1-NE 2.83Å; D133-R172 PolarHBondContact OD1-NE 3.47Å; D133-R172 IonicContact OD1-NH1 2.82Å; D133-R172 PolarHBondContact OD1-NH1 2.97Å; D133-R172 IonicContact OD2-CZ 2.77Å; D133-R172 IonicContact OD2-NH1 2.83Å; D133-R172 PolarHBondContact OD2-NH1 3.35Å |
| 134 | S | 71.7 | Confident | 72.3 | Confident | 36 Ų | 36 | 68 Ų | 68 | 25% | 0.252 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.1 | -33.9 | 177.6 | 70.3 | 0 | 0 | 0 | 0 | 112.1 | T128 T129 S131 N138 | T128-S134 PolarHBondContact O-OG 2.72Å; T129-S134 PolarHBondContact O-OG 3.37Å; S131-S134 PolarHBondContact O-N 3.37Å; S131-S134 PolarHBondContact O-OG 3.04Å; S134-N138 WeakPolarHBondContact O-CB 3.43Å; S134-N138 PolarHBondContact O-N 3.38Å; S134-N138 PolarHBondContact O-ND2 3.01Å; S134-N138 PolarHBondContact O-OD1 3.4Å |
| 135 | R | 73.2 | Confident | 72.6 | Confident | 115 Ų | 115 | 68.8 Ų | 68.8 | 43% | 0.434 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.9 | -43.7 | 177 | -67.4 | -179.4 | -178.7 | 180 | 0 | 111.8 | F130 S131 T132 D133 M139 | F130-R135 VanDerWaalsContact CD1-NH2 3.27Å; S131-R135 PolarHBondContact O-N 3.16Å; T132-R135 PolarHBondContact O-N 3.44Å; D133-R135 VanDerWaalsContact C-N 3.3Å; D133-R135 PolarHBondContact O-N 3.06Å; R135-M139 WeakPolarHBondContact O-CB 3.36Å; R135-M139 VanDerWaalsContact O-CG 3.28Å; R135-M139 WeakPolarHBondContact O-CG 3.4Å; R135-M139 PolarHBondContact O-N 3.49Å |
| 136 | V | 78.1 | Confident | 72.7 | Confident | 1 Ų | 1 | 71.7 Ų | 71.7 | 1% | 0.006 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63 | -44.7 | 177.2 | 171.1 | 0 | 0 | 0 | 0 | 110.2 | T132 D133 M139 F140 L163 I173 | T132-V136 WeakPolarHBondContact O-CG2 3.46Å; T132-V136 PolarHBondContact O-N 2.91Å; D133-V136 PolarHBondContact O-N 3.41Å; V136-M139 PolarHBondContact O-N 3.43Å; V136-F140 HydrophobicContact CG1-CD2 3.8Å; V136-F140 HydrophobicContact CG1-CE2 3.59Å; V136-F140 VanDerWaalsContact O-CD2 3.32Å; V136-F140 WeakPolarHBondContact O-CD2 3.45Å; V136-F140 PolarHBondContact O-N 3.18Å; V136-L163 HydrophobicContact CG2-CD1 4.21Å; V136-I173 HydrophobicContact CG1-CG1 3.86Å; V136-I173 HydrophobicContact CG2-CG1 4.08Å |
| 137 | Q | 79.5 | Confident | 73.2 | Confident | 77 Ų | 77 | 74.8 Ų | 74.8 | 36% | 0.36 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.6 | -50.4 | 177.6 | -170.2 | 61.7 | 40.1 | 0 | 0 | 111.9 | D133 M139 F140 D141 | D133-Q137 PolarHBondContact O-N 3.27Å; D133-Q137 VanDerWaalsContact O-N 3.08Å; Q137-M139 PolarHBondContact O-N 3.11Å; Q137-F140 PolarHBondContact O-N 2.86Å; Q137-D141 PolarHBondContact NE2-OD1 3.46Å; Q137-D141 VanDerWaalsContact NE2-OD1 3.12Å; Q137-D141 VanDerWaalsContact O-CG 3.25Å; Q137-D141 PolarHBondContact O-N 3.22Å |
| 138 | N | 81.6 | Confident | 73.7 | Confident | 88 Ų | 88 | 70.3 Ų | 70.3 | 47% | 0.471 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -57.7 | -34.2 | 177.3 | -69.6 | -18.4 | 0 | 0 | 0 | 112.2 | S134 I142 | S134-N138 WeakPolarHBondContact O-CB 3.43Å; S134-N138 PolarHBondContact O-N 3.38Å; S134-N138 PolarHBondContact O-ND2 3.01Å; S134-N138 PolarHBondContact O-OD1 3.4Å; N138-I142 WeakPolarHBondContact O-CD1 3.42Å; N138-I142 WeakPolarHBondContact O-CG1 3.41Å; N138-I142 PolarHBondContact O-N 3.04Å; N138-I142 VanDerWaalsContact O-N 3.11Å |
| 139 | M | 81.8 | Confident | 74.7 | Confident | 30 Ų | 30 | 70.2 Ų | 70.2 | 15% | 0.148 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -70.4 | -39.8 | 176.3 | -75.1 | -174.6 | 178.9 | 0 | 0 | 112.6 | R135 V136 Q137 I142 L143 A156 N159 L160 L163 | R135-M139 WeakPolarHBondContact O-CB 3.36Å; R135-M139 VanDerWaalsContact O-CG 3.28Å; R135-M139 WeakPolarHBondContact O-CG 3.4Å; R135-M139 PolarHBondContact O-N 3.49Å; V136-M139 PolarHBondContact O-N 3.43Å; Q137-M139 PolarHBondContact O-N 3.11Å; M139-I142 PolarHBondContact O-N 3.28Å; M139-L143 WeakPolarHBondContact O-CB 3.48Å; M139-L143 WeakPolarHBondContact O-CD1 3.39Å; M139-L143 WeakPolarHBondContact O-CG 3.4Å; M139-L143 PolarHBondContact O-N 3.32Å; M139-L143 VanDerWaalsContact O-N 3.11Å; M139-A156 HydrophobicContact CB-CB 4.45Å; M139-A156 HydrophobicContact CG-CB 4.36Å; M139-N159 HydrophobicContact CE-CB 3.29Å; M139-N159 VanDerWaalsContact CE-ND2 3.34Å; M139-N159 WeakPolarHBondContact CE-ND2 3.16Å; M139-N159 HydrophobicContact SD-CB 3.52Å; M139-N159 VanDerWaalsContact SD-CB 3.52Å; M139-L160 HydrophobicContact CB-CD1 4.16Å; M139-L163 HydrophobicContact SD-CD1 4.13Å |
| 140 | F | 81.2 | Confident | 75.8 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.4 | -40.3 | 173.3 | -80.2 | -63.1 | 0 | 0 | 0 | 111.9 | V136 Q137 I142 L143 L144 L160 I173 L181 L182 | V136-F140 HydrophobicContact CG1-CD2 3.8Å; V136-F140 HydrophobicContact CG1-CE2 3.59Å; V136-F140 VanDerWaalsContact O-CD2 3.32Å; V136-F140 WeakPolarHBondContact O-CD2 3.45Å; V136-F140 PolarHBondContact O-N 3.18Å; Q137-F140 PolarHBondContact O-N 2.86Å; F140-I142 VanDerWaalsContact C-N 3.35Å; F140-I142 PolarHBondContact O-N 2.77Å; F140-L143 PolarHBondContact O-N 2.67Å; F140-L143 VanDerWaalsContact O-N 3.13Å; F140-L144 WeakPolarHBondContact O-CB 3.48Å; F140-L144 VanDerWaalsContact O-CG 3.27Å; F140-L144 WeakPolarHBondContact O-CG 3.49Å; F140-L144 PolarHBondContact O-N 2.89Å; F140-L160 HydrophobicContact CD1-CD1 4.26Å; F140-L160 HydrophobicContact CD2-CD1 4.36Å; F140-L160 HydrophobicContact CE1-CD1 3.95Å; F140-L160 HydrophobicContact CE2-CD1 4.06Å; F140-L160 HydrophobicContact CG-CD1 4.46Å; F140-L160 HydrophobicContact CZ-CD1 3.84Å; F140-L160 HydrophobicContact CZ-CD2 4.49Å; F140-I173 HydrophobicContact CE2-CG2 4.29Å; F140-I173 HydrophobicContact CZ-CG2 4.1Å; F140-L181 HydrophobicContact CB-CD1 4.15Å; F140-L181 HydrophobicContact CD1-CB 3.99Å; F140-L181 HydrophobicContact CD1-CD1 3.85Å; F140-L181 HydrophobicContact CD2-CD1 4.08Å; F140-L181 HydrophobicContact CE1-CB 3.9Å; F140-L181 HydrophobicContact CE1-CD1 4.23Å; F140-L181 HydrophobicContact CE2-CD1 4.43Å; F140-L181 HydrophobicContact CG-CD1 3.77Å; F140-L182 HydrophobicContact CE1-CD2 4.14Å; F140-L182 HydrophobicContact CE1-CG 4.24Å; F140-L182 HydrophobicContact CZ-CG 4.46Å |
| 141 | D | 82.8 | Confident | 77 | Confident | 80 Ų | 80 | 71.3 Ų | 71.3 | 43% | 0.428 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.2 | -44 | 177.7 | -61.4 | -21.2 | 0 | 0 | 0 | 110.9 | Q137 L143 L144 D145 | Q137-D141 PolarHBondContact NE2-OD1 3.46Å; Q137-D141 VanDerWaalsContact NE2-OD1 3.12Å; Q137-D141 VanDerWaalsContact O-CG 3.25Å; Q137-D141 PolarHBondContact O-N 3.22Å; D141-L143 VanDerWaalsContact C-N 3.3Å; D141-L143 PolarHBondContact O-N 3.31Å; D141-L144 PolarHBondContact O-N 3.34Å; D141-D145 WeakPolarHBondContact O-CB 3.43Å; D141-D145 PolarHBondContact O-N 3.49Å |
| 142 | I | 83.3 | Confident | 77.7 | Confident | 58 Ų | 58 | 74.3 Ų | 74.3 | 30% | 0.297 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.4 | -36.5 | 175.3 | -68 | 163.4 | 0 | 0 | 0 | 112.1 | N138 M139 F140 K152 A156 | N138-I142 WeakPolarHBondContact O-CD1 3.42Å; N138-I142 WeakPolarHBondContact O-CG1 3.41Å; N138-I142 PolarHBondContact O-N 3.04Å; N138-I142 VanDerWaalsContact O-N 3.11Å; M139-I142 PolarHBondContact O-N 3.28Å; F140-I142 VanDerWaalsContact C-N 3.35Å; F140-I142 PolarHBondContact O-N 2.77Å; I142-K152 HydrophobicContact CG2-CB 4.45Å; I142-A156 HydrophobicContact CB-CB 4.29Å; I142-A156 HydrophobicContact CG2-CB 3.91Å |
| 143 | L | 78.1 | Confident | 78.5 | Confident | 8 Ų | 8 | 73.2 Ų | 73.2 | 4% | 0.042 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -76.7 | -30.6 | -177.2 | -73.9 | 170.5 | 0 | 0 | 0 | 112.9 | M139 F140 D141 K153 A156 A157 L160 M185 M193 | M139-L143 WeakPolarHBondContact O-CB 3.48Å; M139-L143 WeakPolarHBondContact O-CD1 3.39Å; M139-L143 WeakPolarHBondContact O-CG 3.4Å; M139-L143 PolarHBondContact O-N 3.32Å; M139-L143 VanDerWaalsContact O-N 3.11Å; F140-L143 PolarHBondContact O-N 2.67Å; F140-L143 VanDerWaalsContact O-N 3.13Å; D141-L143 VanDerWaalsContact C-N 3.3Å; D141-L143 PolarHBondContact O-N 3.31Å; L143-K153 HydrophobicContact CD2-CB 4.33Å; L143-K153 WeakPolarHBondContact CD2-O 3.28Å; L143-A156 HydrophobicContact CD2-CB 4.14Å; L143-A156 HydrophobicContact CG-CB 4.03Å; L143-A157 HydrophobicContact CD2-CB 4.03Å; L143-L160 HydrophobicContact CD1-CD1 4.13Å; L143-M185 HydrophobicContact CD1-CE 4.18Å; L143-M185 HydrophobicContact CD1-SD 4.3Å; L143-M185 HydrophobicContact CD2-CE 4.39Å; L143-M193 HydrophobicContact CB-CE 4.26Å; L143-M193 HydrophobicContact CD2-CE 4.1Å; L143-M193 HydrophobicContact CD2-SD 4.22Å; L143-M193 WeakPolarHBondContact O-CE 3.4Å |
| 144 | L | 77.9 | Confident | 79.1 | Confident | 81 Ų | 81 | 74.8 Ų | 74.8 | 42% | 0.424 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -89.5 | -21.6 | -178.7 | -65.3 | 169.5 | 0 | 0 | 0 | 113 | F140 D141 E146 L181 | F140-L144 WeakPolarHBondContact O-CB 3.48Å; F140-L144 VanDerWaalsContact O-CG 3.27Å; F140-L144 WeakPolarHBondContact O-CG 3.49Å; F140-L144 PolarHBondContact O-N 2.89Å; D141-L144 PolarHBondContact O-N 3.34Å; L144-E146 PolarHBondContact O-N 2.95Å; L144-L181 HydrophobicContact CD1-CD2 4.02Å |
| 145 | D | 81.9 | Confident | 79.7 | Confident | 68 Ų | 68 | 78.4 Ų | 78.4 | 36% | 0.364 | 38% | 0.376 | S | S | . | . | trans | -69.7 | 119.3 | 175.5 | -173.7 | -13.4 | 0 | 0 | 0 | 111 | D141 D147 M148 K153 | D141-D145 WeakPolarHBondContact O-CB 3.43Å; D141-D145 PolarHBondContact O-N 3.49Å; D145-D147 VanDerWaalsContact C-N 3.34Å; D145-D147 PolarHBondContact O-N 3.49Å; D145-D147 PolarHBondContact OD1-N 3.3Å; D145-M148 HydrophobicContact CB-CB 4.42Å; D145-M148 HydrophobicContact CB-CG 3.92Å; D145-M148 WeakPolarHBondContact OD2-CG 3.47Å; D145-K153 WeakPolarHBondContact O-CE 3.4Å; D145-K153 PolarHBondContact O-NZ 2.65Å | ||
| 146 | E | 72.6 | Confident | 80.3 | Confident | 173 Ų | 173 | 73.1 Ų | 73.1 | 81% | 0.808 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -29.8 | -179.3 | -66.1 | -160.7 | 151.1 | 0 | 0 | 113.1 | L144 M148 K153 | L144-E146 PolarHBondContact O-N 2.95Å; E146-M148 VanDerWaalsContact C-N 3.33Å; E146-M148 PolarHBondContact O-N 2.89Å; E146-K153 PolarHBondContact O-NZ 2.85Å |
| 147 | D | 74.8 | Confident | 80.5 | Confident | 152 Ų | 152 | 73.6 Ų | 73.6 | 81% | 0.813 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -6.4 | -171.5 | -69.2 | -34.2 | 0 | 0 | 0 | 113.7 | D145 | D145-D147 VanDerWaalsContact C-N 3.34Å; D145-D147 PolarHBondContact O-N 3.49Å; D145-D147 PolarHBondContact OD1-N 3.3Å |
| 148 | M | 76.8 | Confident | 80.8 | Confident | 61 Ų | 61 | 74.3 Ų | 74.3 | 30% | 0.3 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -80.7 | 144.4 | -177.1 | -76.6 | -84.9 | 67.6 | 0 | 0 | 115 | D145 E146 K152 K153 | D145-M148 HydrophobicContact CB-CB 4.42Å; D145-M148 HydrophobicContact CB-CG 3.92Å; D145-M148 WeakPolarHBondContact OD2-CG 3.47Å; E146-M148 VanDerWaalsContact C-N 3.33Å; E146-M148 PolarHBondContact O-N 2.89Å; M148-K152 HydrophobicContact CE-CD 4.48Å; M148-K152 HydrophobicContact SD-CD 4.47Å; M148-K153 VanDerWaalsContact O-CE 3.29Å; M148-K153 WeakPolarHBondContact O-CE 3.34Å; M148-K153 PolarHBondContact O-NZ 3.37Å |
| 149 | D | 80.8 | Confident | 81 | Confident | 88 Ų | 88 | 73.8 Ų | 73.8 | 47% | 0.471 | 36% | 0.364 | S | S | . | . | trans | -53 | 136.7 | -179.6 | -60.7 | -45.3 | 0 | 0 | 0 | 112.5 | E151 K152 K153 | D149-E151 VanDerWaalsContact C-N 3.27Å; D149-E151 PolarHBondContact O-N 3Å; D149-K152 HydrophobicContact CB-CB 4.35Å; D149-K152 HydrophobicContact CB-CD 4.14Å; D149-K152 HydrophobicContact CB-CG 4.18Å; D149-K152 PolarHBondContact O-N 2.74Å; D149-K152 WeakPolarHBondContact OD2-CE 3.22Å; D149-K152 IonicContact OD2-NZ 2.82Å; D149-K152 PolarHBondContact OD2-NZ 3.41Å; D149-K153 PolarHBondContact O-N 3.05Å; D149-K153 VanDerWaalsContact O-N 3.09Å | ||
| 150 | K | 79.1 | Confident | 81.1 | Confident | 120 Ų | 120 | 72.5 Ų | 72.5 | 52% | 0.522 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -53.6 | -42.7 | 178.3 | -168.1 | -175.7 | -179.5 | -163.8 | 0 | 112.7 | K152 K153 E154 E192 | K150-K152 VanDerWaalsContact C-N 3.31Å; K150-K152 PolarHBondContact O-N 2.53Å; K150-K153 PolarHBondContact O-N 3.41Å; K150-E154 VanDerWaalsContact CE-OE1 3.27Å; K150-E154 WeakPolarHBondContact CE-OE1 2.93Å; K150-E154 IonicContact NZ-OE1 3.69Å; K150-E154 WeakPolarHBondContact O-CG 3.49Å; K150-E154 PolarHBondContact O-N 3.46Å; K150-E192 WeakPolarHBondContact CE-OE1 3.48Å; K150-E192 WeakPolarHBondContact CE-OE2 3.36Å; K150-E192 IonicContact NZ-OE1 3.81Å; K150-E192 PolarHBondContact NZ-OE1 3.31Å; K150-E192 IonicContact NZ-OE2 3.31Å; K150-E192 PolarHBondContact NZ-OE2 3.38Å |
| 151 | E | 81.3 | Confident | 81.3 | Confident | 121 Ų | 121 | 73.1 Ų | 73.1 | 57% | 0.565 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -65.6 | -33.3 | -179.7 | -162.3 | -170.3 | 155.3 | 0 | 0 | 112.5 | D149 K155 | D149-E151 VanDerWaalsContact C-N 3.27Å; D149-E151 PolarHBondContact O-N 3Å; E151-K155 WeakPolarHBondContact O-CB 3.17Å; E151-K155 VanDerWaalsContact O-CG 3.3Å; E151-K155 WeakPolarHBondContact O-CG 3.32Å; E151-K155 PolarHBondContact O-N 3.05Å; E151-K155 VanDerWaalsContact OE1-CE 3.31Å; E151-K155 WeakPolarHBondContact OE1-CE 3.38Å; E151-K155 IonicContact OE1-NZ 3.18Å; E151-K155 PolarHBondContact OE1-NZ 3.19Å |
| 152 | K | 83 | Confident | 81.3 | Confident | 102 Ų | 102 | 73.1 Ų | 73.1 | 44% | 0.443 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -71.9 | -39.7 | 175.6 | -71.1 | 176 | -177.4 | 148.4 | 0 | 111.1 | I142 M148 D149 K150 K155 A156 | I142-K152 HydrophobicContact CG2-CB 4.45Å; M148-K152 HydrophobicContact CE-CD 4.48Å; M148-K152 HydrophobicContact SD-CD 4.47Å; D149-K152 HydrophobicContact CB-CB 4.35Å; D149-K152 HydrophobicContact CB-CD 4.14Å; D149-K152 HydrophobicContact CB-CG 4.18Å; D149-K152 PolarHBondContact O-N 2.74Å; D149-K152 WeakPolarHBondContact OD2-CE 3.22Å; D149-K152 IonicContact OD2-NZ 2.82Å; D149-K152 PolarHBondContact OD2-NZ 3.41Å; K150-K152 VanDerWaalsContact C-N 3.31Å; K150-K152 PolarHBondContact O-N 2.53Å; K152-K155 PolarHBondContact O-N 3.48Å; K152-A156 WeakPolarHBondContact O-CB 3.25Å; K152-A156 PolarHBondContact O-N 3.16Å |
| 153 | K | 81.3 | Confident | 81.4 | Confident | 33 Ų | 33 | 71.8 Ų | 71.8 | 14% | 0.143 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 173.4 | -70.4 | 179.2 | 178.2 | 170.2 | 0 | 111.7 | L143 D145 E146 M148 D149 K150 K155 A156 A157 | L143-K153 HydrophobicContact CD2-CB 4.33Å; L143-K153 WeakPolarHBondContact CD2-O 3.28Å; D145-K153 WeakPolarHBondContact O-CE 3.4Å; D145-K153 PolarHBondContact O-NZ 2.65Å; E146-K153 PolarHBondContact O-NZ 2.85Å; M148-K153 VanDerWaalsContact O-CE 3.29Å; M148-K153 WeakPolarHBondContact O-CE 3.34Å; M148-K153 PolarHBondContact O-NZ 3.37Å; D149-K153 PolarHBondContact O-N 3.05Å; D149-K153 VanDerWaalsContact O-N 3.09Å; K150-K153 PolarHBondContact O-N 3.41Å; K153-K155 PolarHBondContact O-N 3.12Å; K153-A156 PolarHBondContact O-N 3.25Å; K153-A157 WeakPolarHBondContact O-CB 3.49Å; K153-A157 PolarHBondContact O-N 2.95Å |
| 154 | E | 81 | Confident | 81.6 | Confident | 78 Ų | 78 | 71.4 Ų | 71.4 | 36% | 0.364 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.2 | -42 | 176 | -75 | 177.8 | -167.8 | 0 | 0 | 112.3 | K150 A157 N158 | K150-E154 VanDerWaalsContact CE-OE1 3.27Å; K150-E154 WeakPolarHBondContact CE-OE1 2.93Å; K150-E154 IonicContact NZ-OE1 3.69Å; K150-E154 WeakPolarHBondContact O-CG 3.49Å; K150-E154 PolarHBondContact O-N 3.46Å; E154-A157 PolarHBondContact O-N 3.01Å; E154-N158 WeakPolarHBondContact O-CB 3.25Å; E154-N158 PolarHBondContact O-N 3.38Å; E154-N158 PolarHBondContact O-ND2 3.44Å; E154-N158 VanDerWaalsContact O-ND2 3.13Å |
| 155 | K | 84.4 | Confident | 81.7 | Confident | 113 Ų | 113 | 75.8 Ų | 75.8 | 49% | 0.491 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 175.1 | -75.1 | 172.7 | -173.9 | 167.6 | 0 | 112 | E151 K152 K153 N158 N159 | E151-K155 WeakPolarHBondContact O-CB 3.17Å; E151-K155 VanDerWaalsContact O-CG 3.3Å; E151-K155 WeakPolarHBondContact O-CG 3.32Å; E151-K155 PolarHBondContact O-N 3.05Å; E151-K155 VanDerWaalsContact OE1-CE 3.31Å; E151-K155 WeakPolarHBondContact OE1-CE 3.38Å; E151-K155 IonicContact OE1-NZ 3.18Å; E151-K155 PolarHBondContact OE1-NZ 3.19Å; K152-K155 PolarHBondContact O-N 3.48Å; K153-K155 PolarHBondContact O-N 3.12Å; K155-N158 PolarHBondContact O-N 3.19Å; K155-N159 WeakPolarHBondContact O-CB 3.31Å; K155-N159 PolarHBondContact O-N 2.86Å; K155-N159 PolarHBondContact O-ND2 3.44Å |
| 156 | A | 84.4 | Confident | 81.7 | Confident | 4 Ų | 4 | 78 Ų | 78 | 3% | 0.033 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.1 | -46.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | M139 I142 L143 K152 K153 N158 N159 L160 | M139-A156 HydrophobicContact CB-CB 4.45Å; M139-A156 HydrophobicContact CG-CB 4.36Å; I142-A156 HydrophobicContact CB-CB 4.29Å; I142-A156 HydrophobicContact CG2-CB 3.91Å; L143-A156 HydrophobicContact CD2-CB 4.14Å; L143-A156 HydrophobicContact CG-CB 4.03Å; K152-A156 WeakPolarHBondContact O-CB 3.25Å; K152-A156 PolarHBondContact O-N 3.16Å; K153-A156 PolarHBondContact O-N 3.25Å; A156-N158 PolarHBondContact O-N 2.84Å; A156-N159 PolarHBondContact O-N 3.28Å; A156-L160 WeakPolarHBondContact O-CB 3.37Å; A156-L160 PolarHBondContact O-N 3.24Å |
| 157 | A | 83.1 | Confident | 81.8 | Confident | 10 Ų | 10 | 72.3 Ų | 72.3 | 8% | 0.083 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.9 | -47.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | L143 K153 E154 N159 L160 I161 A196 | L143-A157 HydrophobicContact CD2-CB 4.03Å; K153-A157 WeakPolarHBondContact O-CB 3.49Å; K153-A157 PolarHBondContact O-N 2.95Å; E154-A157 PolarHBondContact O-N 3.01Å; A157-N159 PolarHBondContact O-N 3.32Å; A157-L160 PolarHBondContact O-N 3.44Å; A157-I161 WeakPolarHBondContact O-CG1 3.3Å; A157-I161 PolarHBondContact O-N 3.34Å; A157-A196 HydrophobicContact CB-CB 3.7Å |
| 158 | N | 85 | Confident | 81.9 | Confident | 92 Ų | 92 | 68 Ų | 68 | 49% | 0.492 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 179.3 | -77.2 | -38 | 0 | 0 | 0 | 112.4 | E154 K155 A156 L160 I161 V162 | E154-N158 WeakPolarHBondContact O-CB 3.25Å; E154-N158 PolarHBondContact O-N 3.38Å; E154-N158 PolarHBondContact O-ND2 3.44Å; E154-N158 VanDerWaalsContact O-ND2 3.13Å; K155-N158 PolarHBondContact O-N 3.19Å; A156-N158 PolarHBondContact O-N 2.84Å; N158-L160 VanDerWaalsContact C-N 3.3Å; N158-L160 PolarHBondContact O-N 3.2Å; N158-I161 PolarHBondContact O-N 3.44Å; N158-V162 WeakPolarHBondContact O-CG2 3.32Å; N158-V162 PolarHBondContact O-N 3.47Å; N158-V162 VanDerWaalsContact O-N 3.1Å |
| 159 | N | 85.6 | Confident | 82 | Confident | 78 Ų | 78 | 65.2 Ų | 65.2 | 42% | 0.417 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.3 | -38.3 | 176.3 | -71.1 | -23.8 | 0 | 0 | 0 | 111.7 | M139 K155 A156 A157 I161 V162 L163 | M139-N159 HydrophobicContact CE-CB 3.29Å; M139-N159 VanDerWaalsContact CE-ND2 3.34Å; M139-N159 WeakPolarHBondContact CE-ND2 3.16Å; M139-N159 HydrophobicContact SD-CB 3.52Å; M139-N159 VanDerWaalsContact SD-CB 3.52Å; K155-N159 WeakPolarHBondContact O-CB 3.31Å; K155-N159 PolarHBondContact O-N 2.86Å; K155-N159 PolarHBondContact O-ND2 3.44Å; A156-N159 PolarHBondContact O-N 3.28Å; A157-N159 PolarHBondContact O-N 3.32Å; N159-I161 VanDerWaalsContact C-N 3.34Å; N159-V162 PolarHBondContact O-N 2.76Å; N159-L163 WeakPolarHBondContact O-CG 3.44Å; N159-L163 PolarHBondContact O-N 2.9Å |
| 160 | L | 83.8 | Confident | 82 | Confident | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.6 | -36.8 | 178.3 | -157.6 | 144.8 | 0 | 0 | 0 | 111.6 | M139 F140 L143 A156 A157 N158 L163 S164 I173 L182 T200 | M139-L160 HydrophobicContact CB-CD1 4.16Å; F140-L160 HydrophobicContact CD1-CD1 4.26Å; F140-L160 HydrophobicContact CD2-CD1 4.36Å; F140-L160 HydrophobicContact CE1-CD1 3.95Å; F140-L160 HydrophobicContact CE2-CD1 4.06Å; F140-L160 HydrophobicContact CG-CD1 4.46Å; F140-L160 HydrophobicContact CZ-CD1 3.84Å; F140-L160 HydrophobicContact CZ-CD2 4.49Å; L143-L160 HydrophobicContact CD1-CD1 4.13Å; A156-L160 WeakPolarHBondContact O-CB 3.37Å; A156-L160 PolarHBondContact O-N 3.24Å; A157-L160 PolarHBondContact O-N 3.44Å; N158-L160 VanDerWaalsContact C-N 3.3Å; N158-L160 PolarHBondContact O-N 3.2Å; L160-L163 PolarHBondContact O-N 3.37Å; L160-S164 WeakPolarHBondContact O-CB 3.26Å; L160-S164 PolarHBondContact O-N 3.39Å; L160-I173 HydrophobicContact CD2-CD1 4.28Å; L160-I173 HydrophobicContact CG-CD1 4.38Å; L160-L182 HydrophobicContact CD2-CD2 4.37Å; L160-T200 HydrophobicContact CD2-CG2 3.13Å; L160-T200 VanDerWaalsContact CD2-OG1 3.26Å; L160-T200 WeakPolarHBondContact CD2-OG1 3.38Å |
| 161 | I | 85.3 | Confident | 82.1 | Confident | 13 Ų | 13 | 59.8 Ų | 59.8 | 7% | 0.067 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 170.3 | -65 | 165.5 | 0 | 0 | 0 | 111 | A157 N158 N159 S164 R165 A196 R199 | A157-I161 WeakPolarHBondContact O-CG1 3.3Å; A157-I161 PolarHBondContact O-N 3.34Å; N158-I161 PolarHBondContact O-N 3.44Å; N159-I161 VanDerWaalsContact C-N 3.34Å; I161-S164 PolarHBondContact O-N 2.93Å; I161-S164 PolarHBondContact O-OG 2.86Å; I161-R165 PolarHBondContact O-N 3.3Å; I161-A196 HydrophobicContact CD1-CB 4.46Å; I161-R199 HydrophobicContact CD1-CB 3.99Å; I161-R199 HydrophobicContact CG1-CB 4.02Å; I161-R199 HydrophobicContact CG2-CB 4.41Å |
| 162 | V | 84.5 | Confident | 82 | Confident | 81 Ų | 81 | 58.3 Ų | 58.3 | 49% | 0.491 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.6 | -47.5 | 178.7 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | N158 N159 S164 R165 | N158-V162 WeakPolarHBondContact O-CG2 3.32Å; N158-V162 PolarHBondContact O-N 3.47Å; N158-V162 VanDerWaalsContact O-N 3.1Å; N159-V162 PolarHBondContact O-N 2.76Å; V162-S164 VanDerWaalsContact C-N 3.25Å; V162-S164 PolarHBondContact O-N 3.24Å; V162-R165 WeakPolarHBondContact O-CB 3.3Å; V162-R165 PolarHBondContact O-N 2.99Å; V162-R165 VanDerWaalsContact O-N 3.08Å |
| 163 | L | 83.9 | Confident | 82 | Confident | 29 Ų | 29 | 53.4 Ų | 53.4 | 15% | 0.152 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.6 | -35.1 | 177.2 | -70.4 | 170.9 | 0 | 0 | 0 | 112.2 | V136 M139 N159 L160 R165 E166 G169 A170 I173 | V136-L163 HydrophobicContact CG2-CD1 4.21Å; M139-L163 HydrophobicContact SD-CD1 4.13Å; N159-L163 WeakPolarHBondContact O-CG 3.44Å; N159-L163 PolarHBondContact O-N 2.9Å; L160-L163 PolarHBondContact O-N 3.37Å; L163-R165 PolarHBondContact O-N 3.5Å; L163-E166 PolarHBondContact O-N 3.47Å; L163-E166 VanDerWaalsContact O-O 3.11Å; L163-G169 CarbonylContact O-C 3.17Å; L163-G169 WeakPolarHBondContact O-CA 3.48Å; L163-A170 PolarHBondContact O-N 2.95Å; L163-I173 HydrophobicContact CB-CD1 4.35Å |
| 164 | S | 82.6 | Confident | 82 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.007 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.5 | -16.1 | 178 | 76.4 | 0 | 0 | 0 | 0 | 114.3 | L160 I161 V162 A170 G203 | L160-S164 WeakPolarHBondContact O-CB 3.26Å; L160-S164 PolarHBondContact O-N 3.39Å; I161-S164 PolarHBondContact O-N 2.93Å; I161-S164 PolarHBondContact O-OG 2.86Å; V162-S164 VanDerWaalsContact C-N 3.25Å; V162-S164 PolarHBondContact O-N 3.24Å; S164-A170 WeakPolarHBondContact O-CB 3.49Å; S164-G203 CarbonylContact O-C 3.57Å; S164-G203 WeakPolarHBondContact O-CA 3.25Å |
| 165 | R | 81.5 | Confident | 82 | Confident | 173 Ų | 173 | 56.5 Ų | 56.5 | 65% | 0.653 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -86.1 | -20.9 | 175.6 | -65.8 | 176.6 | -179.4 | -175.7 | 0.2 | 112.5 | I161 V162 L163 | I161-R165 PolarHBondContact O-N 3.3Å; V162-R165 WeakPolarHBondContact O-CB 3.3Å; V162-R165 PolarHBondContact O-N 2.99Å; V162-R165 VanDerWaalsContact O-N 3.08Å; L163-R165 PolarHBondContact O-N 3.5Å |
| 166 | E | 80.4 | Confident | 81.7 | Confident | 113 Ų | 113 | 53.6 Ų | 53.6 | 53% | 0.528 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -86.7 | 132.4 | 174 | -64.5 | -177.7 | 178.4 | 0 | 0 | 109.1 | L163 A168 G169 A170 | L163-E166 PolarHBondContact O-N 3.47Å; L163-E166 VanDerWaalsContact O-O 3.11Å; E166-A168 VanDerWaalsContact C-N 3.34Å; E166-A168 PolarHBondContact O-N 3.49Å; E166-G169 PolarHBondContact O-N 3.41Å; E166-G169 VanDerWaalsContact O-N 3.09Å; E166-A170 WeakPolarHBondContact O-CB 3.32Å; E166-A170 PolarHBondContact O-N 2.93Å |
| 167 | D | 74.9 | Confident | 81.5 | Confident | 54 Ų | 54 | 58.3 Ų | 58.3 | 29% | 0.289 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59 | -46.1 | -173.8 | -167.6 | 34.8 | 0 | 0 | 0 | 112.4 | G169 A170 E171 H208 R211 Y258 | D167-G169 PolarHBondContact O-N 3.42Å; D167-A170 PolarHBondContact O-N 3.06Å; D167-E171 PolarHBondContact O-N 2.57Å; D167-H208 IonicContact OD1-CD2 3.98Å; D167-H208 PolarHBondContact OD1-CD2 3.19Å; D167-H208 IonicContact OD1-CE1 2.86Å; D167-H208 IonicContact OD1-NE2 3.61Å; D167-H208 PolarHBondContact OD1-NE2 3.32Å; D167-H208 IonicContact OD2-NE2 3.48Å; D167-R211 IonicContact OD1-CZ 3.29Å; D167-R211 IonicContact OD1-NH2 3.51Å; D167-R211 PolarHBondContact OD1-NH2 3Å; D167-Y258 HydrophobicContact CB-CD1 4.08Å; D167-Y258 HydrophobicContact CB-CE1 3.79Å; D167-Y258 VanDerWaalsContact OD2-CD1 3.22Å; D167-Y258 WeakPolarHBondContact OD2-CD1 3.49Å |
| 168 | A | 76.7 | Confident | 81.3 | Confident | 62 Ų | 62 | 57.9 Ų | 57.9 | 51% | 0.512 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.1 | -41 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E166 R172 | E166-A168 VanDerWaalsContact C-N 3.34Å; E166-A168 PolarHBondContact O-N 3.49Å; A168-R172 VanDerWaalsContact O-CG 3.31Å; A168-R172 WeakPolarHBondContact O-CG 3.48Å; A168-R172 PolarHBondContact O-N 3Å |
| 169 | G | 78.8 | Confident | 81.2 | Confident | 3 Ų | 3 | 53.7 Ų | 53.7 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.1 | -43.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L163 E166 D167 E171 R172 I173 | L163-G169 CarbonylContact O-C 3.17Å; L163-G169 WeakPolarHBondContact O-CA 3.48Å; E166-G169 PolarHBondContact O-N 3.41Å; E166-G169 VanDerWaalsContact O-N 3.09Å; D167-G169 PolarHBondContact O-N 3.42Å; G169-E171 PolarHBondContact O-N 3.03Å; G169-R172 PolarHBondContact O-N 2.95Å; G169-I173 VanDerWaalsContact O-CG1 3.29Å; G169-I173 WeakPolarHBondContact O-CG1 3.41Å; G169-I173 PolarHBondContact O-N 2.94Å |
| 170 | A | 81.3 | Confident | 81.1 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 2% | 0.017 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.3 | -34.9 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | L163 S164 E166 D167 F174 M204 R211 | L163-A170 PolarHBondContact O-N 2.95Å; S164-A170 WeakPolarHBondContact O-CB 3.49Å; E166-A170 WeakPolarHBondContact O-CB 3.32Å; E166-A170 PolarHBondContact O-N 2.93Å; D167-A170 PolarHBondContact O-N 3.06Å; A170-F174 WeakPolarHBondContact O-CB 3.24Å; A170-F174 PolarHBondContact O-N 3.46Å; A170-F174 VanDerWaalsContact O-N 3.11Å; A170-M204 HydrophobicContact CB-CG 4.34Å; A170-R211 PolarHBondContact O-NH1 3.35Å |
| 171 | E | 80.6 | Confident | 81 | Confident | 92 Ų | 92 | 53.3 Ų | 53.3 | 43% | 0.43 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.1 | -45 | 173.4 | -169.7 | -169.1 | 160.8 | 0 | 0 | 110.9 | D167 G169 F174 Q175 | D167-E171 PolarHBondContact O-N 2.57Å; G169-E171 PolarHBondContact O-N 3.03Å; E171-F174 WeakPolarHBondContact O-CB 3.33Å; E171-F174 PolarHBondContact O-N 2.97Å; E171-Q175 WeakPolarHBondContact O-CG 3.32Å; E171-Q175 PolarHBondContact O-N 3.31Å; E171-Q175 PolarHBondContact OE1-NE2 3.27Å |
| 172 | R | 79.4 | Confident | 80.9 | Confident | 89 Ų | 89 | 52.7 Ų | 52.7 | 34% | 0.336 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.4 | -39.1 | 179.2 | -63 | -48.2 | -173 | 130.8 | 6.9 | 113.1 | D133 A168 G169 F174 Q175 N176 | D133-R172 VanDerWaalsContact CG-NH1 3.34Å; D133-R172 WeakPolarHBondContact OD1-CD 3.49Å; D133-R172 WeakPolarHBondContact OD1-CG 3.43Å; D133-R172 IonicContact OD1-CZ 3.85Å; D133-R172 IonicContact OD1-NE 2.83Å; D133-R172 PolarHBondContact OD1-NE 3.47Å; D133-R172 IonicContact OD1-NH1 2.82Å; D133-R172 PolarHBondContact OD1-NH1 2.97Å; D133-R172 IonicContact OD2-CZ 2.77Å; D133-R172 IonicContact OD2-NH1 2.83Å; D133-R172 PolarHBondContact OD2-NH1 3.35Å; A168-R172 VanDerWaalsContact O-CG 3.31Å; A168-R172 WeakPolarHBondContact O-CG 3.48Å; A168-R172 PolarHBondContact O-N 3Å; G169-R172 PolarHBondContact O-N 2.95Å; R172-F174 VanDerWaalsContact C-N 3.26Å; R172-F174 PolarHBondContact O-N 3.22Å; R172-Q175 PolarHBondContact O-N 3.46Å; R172-N176 WeakPolarHBondContact O-CB 3.33Å; R172-N176 PolarHBondContact O-N 2.97Å |
| 173 | I | 82.6 | Confident | 80.9 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.2 | -40.7 | 172.9 | -65.2 | 164.2 | 0 | 0 | 0 | 110.3 | V136 F140 L160 L163 G169 G178 M204 | V136-I173 HydrophobicContact CG1-CG1 3.86Å; V136-I173 HydrophobicContact CG2-CG1 4.08Å; F140-I173 HydrophobicContact CE2-CG2 4.29Å; F140-I173 HydrophobicContact CZ-CG2 4.1Å; L160-I173 HydrophobicContact CD2-CD1 4.28Å; L160-I173 HydrophobicContact CG-CD1 4.38Å; L163-I173 HydrophobicContact CB-CD1 4.35Å; G169-I173 VanDerWaalsContact O-CG1 3.29Å; G169-I173 WeakPolarHBondContact O-CG1 3.41Å; G169-I173 PolarHBondContact O-N 2.94Å; I173-G178 VanDerWaalsContact O-CA 3.28Å; I173-G178 WeakPolarHBondContact O-CA 3.49Å; I173-G178 PolarHBondContact O-N 3.16Å; I173-M204 HydrophobicContact CB-CE 4.36Å; I173-M204 HydrophobicContact CB-SD 4.28Å; I173-M204 HydrophobicContact CG2-CE 3.88Å; I173-M204 HydrophobicContact CG2-CG 4.49Å; I173-M204 HydrophobicContact CG2-SD 3.52Å; I173-M204 VanDerWaalsContact CG2-SD 3.52Å |
| 174 | F | 82.3 | Confident | 80.8 | Confident | 69 Ų | 69 | 52.5 Ų | 52.5 | 30% | 0.303 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.6 | -44.5 | 178.3 | -171.5 | -99.7 | 0 | 0 | 0 | 112.4 | A170 E171 R172 N176 N177 V179 M204 R211 A214 | A170-F174 WeakPolarHBondContact O-CB 3.24Å; A170-F174 PolarHBondContact O-N 3.46Å; A170-F174 VanDerWaalsContact O-N 3.11Å; E171-F174 WeakPolarHBondContact O-CB 3.33Å; E171-F174 PolarHBondContact O-N 2.97Å; R172-F174 VanDerWaalsContact C-N 3.26Å; R172-F174 PolarHBondContact O-N 3.22Å; F174-N176 VanDerWaalsContact C-N 3.32Å; F174-N176 PolarHBondContact O-N 3.42Å; F174-N177 PolarHBondContact O-N 2.98Å; F174-V179 HydrophobicContact CD2-CG2 4.01Å; F174-V179 HydrophobicContact CE2-CG2 4.19Å; F174-M204 HydrophobicContact CB-CE 3.78Å; F174-M204 HydrophobicContact CD2-CE 3.9Å; F174-M204 HydrophobicContact CG-CE 4.36Å; F174-R211 HydrophobicContact CD2-CG 4.24Å; F174-R211 HydrophobicContact CE2-CG 4.41Å; F174-R211 HydrophobicContact CG-CG 4.3Å; F174-A214 HydrophobicContact CE2-CB 3.96Å; F174-A214 HydrophobicContact CZ-CB 3.8Å |
| 175 | Q | 81.3 | Confident | 80.6 | Confident | 106 Ų | 106 | 52.6 Ų | 52.6 | 50% | 0.495 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.3 | -35.4 | 178.6 | -72.6 | 172.8 | 0.6 | 0 | 0 | 112.9 | E171 R172 N177 | E171-Q175 WeakPolarHBondContact O-CG 3.32Å; E171-Q175 PolarHBondContact O-N 3.31Å; E171-Q175 PolarHBondContact OE1-NE2 3.27Å; R172-Q175 PolarHBondContact O-N 3.46Å; Q175-N177 PolarHBondContact O-N 3.06Å; Q175-N177 VanDerWaalsContact O-N 3.11Å |
| 176 | N | 78.6 | Confident | 80.6 | Confident | 52 Ų | 52 | 45 Ų | 45 | 28% | 0.278 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 27.6 | -179.7 | -68.8 | -16.3 | 0 | 0 | 0 | 113.8 | R172 F174 G178 | R172-N176 WeakPolarHBondContact O-CB 3.33Å; R172-N176 PolarHBondContact O-N 2.97Å; F174-N176 VanDerWaalsContact C-N 3.32Å; F174-N176 PolarHBondContact O-N 3.42Å; N176-G178 PolarHBondContact O-N 3.49Å; N176-G178 VanDerWaalsContact O-N 3.16Å |
| 177 | N | 79.1 | Confident | 80.7 | Confident | 104 Ų | 104 | 45.5 Ų | 45.5 | 56% | 0.556 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 29.7 | -178.4 | -155.7 | 18.8 | 0 | 0 | 0 | 113.8 | F174 Q175 V179 A180 L181 | F174-N177 PolarHBondContact O-N 2.98Å; Q175-N177 PolarHBondContact O-N 3.06Å; Q175-N177 VanDerWaalsContact O-N 3.11Å; N177-V179 VanDerWaalsContact C-N 3.25Å; N177-V179 PolarHBondContact O-N 3.33Å; N177-A180 PolarHBondContact O-N 3.26Å; N177-L181 PolarHBondContact O-N 3.11Å |
| 178 | G | 78.8 | Confident | 80.7 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.2 | -29.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | I173 N176 A180 L181 L182 | I173-G178 VanDerWaalsContact O-CA 3.28Å; I173-G178 WeakPolarHBondContact O-CA 3.49Å; I173-G178 PolarHBondContact O-N 3.16Å; N176-G178 PolarHBondContact O-N 3.49Å; N176-G178 VanDerWaalsContact O-N 3.16Å; G178-A180 PolarHBondContact O-N 3.38Å; G178-L181 PolarHBondContact O-N 3.13Å; G178-L182 WeakPolarHBondContact O-CB 3.45Å; G178-L182 WeakPolarHBondContact O-CD1 3.37Å; G178-L182 WeakPolarHBondContact O-CG 3.45Å; G178-L182 PolarHBondContact O-N 3.45Å |
| 179 | V | 82.6 | Confident | 80.4 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.024 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62 | -42.2 | 179.3 | -176.7 | 0 | 0 | 0 | 0 | 111.6 | F174 N177 L182 L183 L201 M204 I215 M218 | F174-V179 HydrophobicContact CD2-CG2 4.01Å; F174-V179 HydrophobicContact CE2-CG2 4.19Å; N177-V179 VanDerWaalsContact C-N 3.25Å; N177-V179 PolarHBondContact O-N 3.33Å; V179-L182 PolarHBondContact O-N 2.91Å; V179-L183 HydrophobicContact CG1-CD1 4.48Å; V179-L183 WeakPolarHBondContact O-CG 3.39Å; V179-L183 PolarHBondContact O-N 3.35Å; V179-L201 HydrophobicContact CG1-CD2 4.32Å; V179-M204 HydrophobicContact CG2-CE 4.01Å; V179-I215 HydrophobicContact CG1-CG1 4.42Å; V179-I215 HydrophobicContact CG2-CG1 3.97Å; V179-M218 HydrophobicContact CB-SD 4.17Å; V179-M218 HydrophobicContact CG1-CB 4.22Å; V179-M218 HydrophobicContact CG1-SD 3.99Å |
| 180 | A | 83.7 | Confident | 80.5 | Confident | 35 Ų | 35 | 52.1 Ų | 52.1 | 29% | 0.289 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68 | -40.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | N177 G178 L183 N184 | N177-A180 PolarHBondContact O-N 3.26Å; G178-A180 PolarHBondContact O-N 3.38Å; A180-L183 WeakPolarHBondContact O-CB 3.26Å; A180-L183 PolarHBondContact O-N 3.38Å; A180-N184 PolarHBondContact O-N 2.95Å |
| 181 | L | 82 | Confident | 80.5 | Confident | 37 Ų | 37 | 55.3 Ų | 55.3 | 19% | 0.194 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.2 | -40.1 | 177 | -61.7 | 179 | 0 | 0 | 0 | 111.9 | F140 L144 N177 G178 L183 N184 M185 | F140-L181 HydrophobicContact CB-CD1 4.15Å; F140-L181 HydrophobicContact CD1-CB 3.99Å; F140-L181 HydrophobicContact CD1-CD1 3.85Å; F140-L181 HydrophobicContact CD2-CD1 4.08Å; F140-L181 HydrophobicContact CE1-CB 3.9Å; F140-L181 HydrophobicContact CE1-CD1 4.23Å; F140-L181 HydrophobicContact CE2-CD1 4.43Å; F140-L181 HydrophobicContact CG-CD1 3.77Å; L144-L181 HydrophobicContact CD1-CD2 4.02Å; N177-L181 PolarHBondContact O-N 3.11Å; G178-L181 PolarHBondContact O-N 3.13Å; L181-L183 VanDerWaalsContact C-N 3.32Å; L181-N184 PolarHBondContact O-N 3.38Å; L181-M185 WeakPolarHBondContact O-CG 3.39Å; L181-M185 PolarHBondContact O-N 3.5Å |
| 182 | L | 84.4 | Confident | 80.5 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.4 | -33.7 | 175.8 | -65.5 | 164.7 | 0 | 0 | 0 | 111.6 | F140 L160 G178 V179 M185 V186 A197 T200 L201 M204 | F140-L182 HydrophobicContact CE1-CD2 4.14Å; F140-L182 HydrophobicContact CE1-CG 4.24Å; F140-L182 HydrophobicContact CZ-CG 4.46Å; L160-L182 HydrophobicContact CD2-CD2 4.37Å; G178-L182 WeakPolarHBondContact O-CB 3.45Å; G178-L182 WeakPolarHBondContact O-CD1 3.37Å; G178-L182 WeakPolarHBondContact O-CG 3.45Å; G178-L182 PolarHBondContact O-N 3.45Å; V179-L182 PolarHBondContact O-N 2.91Å; L182-M185 HydrophobicContact CD2-SD 4.05Å; L182-M185 WeakPolarHBondContact O-CB 3.32Å; L182-M185 PolarHBondContact O-N 2.88Å; L182-V186 WeakPolarHBondContact O-CG2 3.21Å; L182-V186 PolarHBondContact O-N 2.89Å; L182-V186 VanDerWaalsContact O-N 3.09Å; L182-A197 HydrophobicContact CB-CB 4.29Å; L182-A197 HydrophobicContact CD2-CB 4.11Å; L182-T200 HydrophobicContact CD1-CG2 3.6Å; L182-T200 HydrophobicContact CD2-CG2 4.01Å; L182-T200 HydrophobicContact CG-CG2 4.48Å; L182-L201 HydrophobicContact CB-CD1 4.44Å; L182-L201 HydrophobicContact CB-CD2 4.35Å; L182-L201 HydrophobicContact CB-CG 4.33Å; L182-L201 HydrophobicContact CD1-CD2 3.78Å; L182-L201 HydrophobicContact CD1-CG 3.97Å; L182-M204 HydrophobicContact CD1-SD 4Å |
| 183 | L | 83.4 | Confident | 80.6 | Confident | 22 Ų | 22 | 52.3 Ų | 52.3 | 12% | 0.115 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.7 | -44 | 172.1 | -80.1 | 171.6 | 0 | 0 | 0 | 111.9 | V179 A180 L181 M185 V186 E187 M219 | V179-L183 HydrophobicContact CG1-CD1 4.48Å; V179-L183 WeakPolarHBondContact O-CG 3.39Å; V179-L183 PolarHBondContact O-N 3.35Å; A180-L183 WeakPolarHBondContact O-CB 3.26Å; A180-L183 PolarHBondContact O-N 3.38Å; L181-L183 VanDerWaalsContact C-N 3.32Å; L183-M185 VanDerWaalsContact C-N 3.26Å; L183-M185 PolarHBondContact O-N 3.39Å; L183-V186 WeakPolarHBondContact O-CB 3.43Å; L183-V186 PolarHBondContact O-N 3.41Å; L183-E187 PolarHBondContact O-N 2.92Å; L183-E187 VanDerWaalsContact O-N 3.09Å; L183-M219 HydrophobicContact CD1-CG 4.26Å; L183-M219 HydrophobicContact CD2-CB 4.38Å; L183-M219 HydrophobicContact CD2-CE 3.86Å; L183-M219 HydrophobicContact CD2-CG 3.77Å; L183-M219 HydrophobicContact CD2-SD 4.49Å; L183-M219 HydrophobicContact CG-CG 4.25Å |
| 184 | N | 82.3 | Confident | 80.6 | Confident | 83 Ų | 83 | 52.8 Ų | 52.8 | 44% | 0.444 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.4 | -40.2 | 174.1 | -67.9 | -9.9 | 0 | 0 | 0 | 110.9 | A180 L181 V186 E187 T188 | A180-N184 PolarHBondContact O-N 2.95Å; L181-N184 PolarHBondContact O-N 3.38Å; N184-V186 VanDerWaalsContact C-N 3.3Å; N184-V186 PolarHBondContact O-N 2.99Å; N184-E187 PolarHBondContact O-N 3.24Å; N184-E187 VanDerWaalsContact O-N 3.13Å; N184-T188 WeakPolarHBondContact O-CG2 3.27Å; N184-T188 PolarHBondContact O-N 3.16Å; N184-T188 VanDerWaalsContact O-N 3.15Å |
| 185 | M | 79.1 | Confident | 80.7 | Confident | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.015 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.3 | -38.1 | 174.2 | -72.7 | 177.8 | 65.5 | 0 | 0 | 112.7 | L143 L181 L182 L183 E187 T188 M193 A197 | L143-M185 HydrophobicContact CD1-CE 4.18Å; L143-M185 HydrophobicContact CD1-SD 4.3Å; L143-M185 HydrophobicContact CD2-CE 4.39Å; L181-M185 WeakPolarHBondContact O-CG 3.39Å; L181-M185 PolarHBondContact O-N 3.5Å; L182-M185 HydrophobicContact CD2-SD 4.05Å; L182-M185 WeakPolarHBondContact O-CB 3.32Å; L182-M185 PolarHBondContact O-N 2.88Å; L183-M185 VanDerWaalsContact C-N 3.26Å; L183-M185 PolarHBondContact O-N 3.39Å; M185-E187 VanDerWaalsContact C-N 3.31Å; M185-T188 PolarHBondContact O-N 3.17Å; M185-T188 PolarHBondContact O-OG1 3.45Å; M185-M193 HydrophobicContact CE-CB 4.32Å; M185-M193 HydrophobicContact CE-CE 3.36Å; M185-M193 HydrophobicContact CE-SD 3.81Å; M185-M193 HydrophobicContact CG-CE 4.14Å; M185-M193 HydrophobicContact SD-CE 4.33Å; M185-A197 HydrophobicContact CB-CB 4.15Å |
| 186 | V | 81.5 | Confident | 80.9 | Confident | 15 Ų | 15 | 45.6 Ų | 45.6 | 9% | 0.091 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.8 | -37.2 | 175.6 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | L182 L183 N184 T188 G189 I194 A197 I227 | L182-V186 WeakPolarHBondContact O-CG2 3.21Å; L182-V186 PolarHBondContact O-N 2.89Å; L182-V186 VanDerWaalsContact O-N 3.09Å; L183-V186 WeakPolarHBondContact O-CB 3.43Å; L183-V186 PolarHBondContact O-N 3.41Å; N184-V186 VanDerWaalsContact C-N 3.3Å; N184-V186 PolarHBondContact O-N 2.99Å; V186-T188 VanDerWaalsContact C-N 3.3Å; V186-T188 PolarHBondContact O-N 3.24Å; V186-G189 PolarHBondContact O-N 3.36Å; V186-I194 HydrophobicContact CG1-CG1 4.46Å; V186-A197 HydrophobicContact CG2-CB 3.89Å; V186-I227 HydrophobicContact CG1-CD1 3.79Å; V186-I227 HydrophobicContact CG1-CG1 4.03Å |
| 187 | E | 80.8 | Confident | 81.3 | Confident | 122 Ų | 122 | 43.1 Ų | 43.1 | 57% | 0.57 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -69.9 | -23.9 | 179.3 | -68.7 | 178.8 | -180 | 0 | 0 | 113.5 | L183 N184 M185 G189 K223 | L183-E187 PolarHBondContact O-N 2.92Å; L183-E187 VanDerWaalsContact O-N 3.09Å; N184-E187 PolarHBondContact O-N 3.24Å; N184-E187 VanDerWaalsContact O-N 3.13Å; M185-E187 VanDerWaalsContact C-N 3.31Å; E187-G189 PolarHBondContact O-N 3.35Å; E187-G189 VanDerWaalsContact O-N 3.08Å; E187-K223 IonicContact OE1-NZ 2.91Å; E187-K223 PolarHBondContact OE1-NZ 2.98Å |
| 188 | T | 76.5 | Confident | 81.7 | Confident | 80 Ų | 80 | 38.2 Ų | 38.2 | 49% | 0.491 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -14.6 | 173.7 | 69.6 | 0 | 0 | 0 | 0 | 114.1 | N184 M185 V186 K190 | N184-T188 WeakPolarHBondContact O-CG2 3.27Å; N184-T188 PolarHBondContact O-N 3.16Å; N184-T188 VanDerWaalsContact O-N 3.15Å; M185-T188 PolarHBondContact O-N 3.17Å; M185-T188 PolarHBondContact O-OG1 3.45Å; V186-T188 VanDerWaalsContact C-N 3.3Å; V186-T188 PolarHBondContact O-N 3.24Å; T188-K190 PolarHBondContact O-N 3.09Å; T188-K190 VanDerWaalsContact O-N 3.12Å |
| 189 | G | 69.9 | Low | 82.1 | Confident | 52 Ų | 52 | 43.2 Ų | 43.2 | 54% | 0.536 | 24% | 0.235 | S | C | . | . | trans | 74.5 | -3.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | V186 E187 | V186-G189 PolarHBondContact O-N 3.36Å; E187-G189 PolarHBondContact O-N 3.35Å; E187-G189 VanDerWaalsContact O-N 3.08Å | ||
| 190 | K | 80.4 | Confident | 82.3 | Confident | 126 Ų | 126 | 43.1 Ų | 43.1 | 55% | 0.548 | 23% | 0.234 | S | C | . | . | trans | -76.3 | 129.4 | 178.6 | -68.5 | 177.8 | -177.3 | 169.8 | 0 | 110.5 | T188 E192 M193 I194 | T188-K190 PolarHBondContact O-N 3.09Å; T188-K190 VanDerWaalsContact O-N 3.12Å; K190-E192 PolarHBondContact O-N 2.66Å; K190-M193 HydrophobicContact CB-CB 4.19Å; K190-M193 HydrophobicContact CB-CG 4.04Å; K190-M193 PolarHBondContact O-N 2.91Å; K190-M193 VanDerWaalsContact O-N 3.16Å; K190-I194 WeakPolarHBondContact O-CG1 3.21Å; K190-I194 PolarHBondContact O-N 3.24Å | ||
| 191 | P | 80.8 | Confident | 82.5 | Confident | 69 Ų | 69 | 41.4 Ų | 41.4 | 45% | 0.448 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.9 | -39.1 | -172.3 | 24 | -33.6 | 0 | 0 | 0 | 113.1 | M193 I194 L195 I235 | P191-M193 PolarHBondContact O-N 3Å; P191-I194 PolarHBondContact O-N 3Å; P191-L195 VanDerWaalsContact O-CB 3.26Å; P191-L195 WeakPolarHBondContact O-CB 3.48Å; P191-L195 PolarHBondContact O-N 3.27Å; P191-I235 HydrophobicContact CB-CD1 3.99Å |
| 192 | E | 80.4 | Confident | 82.7 | Confident | 94 Ų | 94 | 40.5 Ų | 40.5 | 44% | 0.439 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.3 | -39.1 | 177.9 | -66.7 | 167.5 | -174.3 | 0 | 0 | 112.1 | K150 K190 L195 A196 | K150-E192 WeakPolarHBondContact CE-OE1 3.48Å; K150-E192 WeakPolarHBondContact CE-OE2 3.36Å; K150-E192 IonicContact NZ-OE1 3.81Å; K150-E192 PolarHBondContact NZ-OE1 3.31Å; K150-E192 IonicContact NZ-OE2 3.31Å; K150-E192 PolarHBondContact NZ-OE2 3.38Å; K190-E192 PolarHBondContact O-N 2.66Å; E192-L195 PolarHBondContact O-N 3.2Å; E192-A196 WeakPolarHBondContact O-CB 3.34Å; E192-A196 PolarHBondContact O-N 2.94Å |
| 193 | M | 81.7 | Confident | 82.7 | Confident | 24 Ų | 24 | 40.8 Ų | 40.8 | 12% | 0.118 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -72.9 | -42 | 179.4 | -64.9 | -64.8 | -85.6 | 0 | 0 | 111.4 | L143 M185 K190 P191 L195 A196 A197 | L143-M193 HydrophobicContact CB-CE 4.26Å; L143-M193 HydrophobicContact CD2-CE 4.1Å; L143-M193 HydrophobicContact CD2-SD 4.22Å; L143-M193 WeakPolarHBondContact O-CE 3.4Å; M185-M193 HydrophobicContact CE-CB 4.32Å; M185-M193 HydrophobicContact CE-CE 3.36Å; M185-M193 HydrophobicContact CE-SD 3.81Å; M185-M193 HydrophobicContact CG-CE 4.14Å; M185-M193 HydrophobicContact SD-CE 4.33Å; K190-M193 HydrophobicContact CB-CB 4.19Å; K190-M193 HydrophobicContact CB-CG 4.04Å; K190-M193 PolarHBondContact O-N 2.91Å; K190-M193 VanDerWaalsContact O-N 3.16Å; P191-M193 PolarHBondContact O-N 3Å; M193-L195 VanDerWaalsContact C-N 3.3Å; M193-L195 PolarHBondContact O-N 2.7Å; M193-A196 PolarHBondContact O-N 2.85Å; M193-A197 VanDerWaalsContact O-CB 3.25Å; M193-A197 WeakPolarHBondContact O-CB 3.42Å; M193-A197 PolarHBondContact O-N 3.45Å |
| 194 | I | 83.4 | Confident | 82.6 | Confident | 10 Ų | 10 | 39.7 Ų | 39.7 | 5% | 0.051 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.7 | -45.8 | 172.9 | -65.8 | 164.9 | 0 | 0 | 0 | 109.7 | V186 K190 P191 A196 A197 V198 I227 I235 | V186-I194 HydrophobicContact CG1-CG1 4.46Å; K190-I194 WeakPolarHBondContact O-CG1 3.21Å; K190-I194 PolarHBondContact O-N 3.24Å; P191-I194 PolarHBondContact O-N 3Å; I194-A196 PolarHBondContact O-N 3.44Å; I194-A197 PolarHBondContact O-N 2.88Å; I194-V198 HydrophobicContact CG2-CG2 4.21Å; I194-V198 WeakPolarHBondContact O-CB 3.46Å; I194-V198 VanDerWaalsContact O-CG2 3.23Å; I194-V198 WeakPolarHBondContact O-CG2 3.33Å; I194-V198 PolarHBondContact O-N 2.94Å; I194-I227 HydrophobicContact CG2-CG2 4.13Å; I194-I235 HydrophobicContact CB-CD1 4.43Å; I194-I235 HydrophobicContact CD1-CD1 4.46Å; I194-I235 HydrophobicContact CG2-CD1 4.26Å; I194-I235 HydrophobicContact CG2-CG1 4.42Å; I194-I235 HydrophobicContact CG2-CG2 3.8Å |
| 195 | L | 85 | Confident | 82.5 | Confident | 18 Ų | 18 | 35.8 Ų | 35.8 | 9% | 0.094 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.5 | -45.3 | -179.3 | -171.3 | 69.4 | 0 | 0 | 0 | 112 | P191 E192 M193 R199 E234 A238 | P191-L195 VanDerWaalsContact O-CB 3.26Å; P191-L195 WeakPolarHBondContact O-CB 3.48Å; P191-L195 PolarHBondContact O-N 3.27Å; E192-L195 PolarHBondContact O-N 3.2Å; M193-L195 VanDerWaalsContact C-N 3.3Å; M193-L195 PolarHBondContact O-N 2.7Å; L195-R199 VanDerWaalsContact CD2-CZ 3.5Å; L195-R199 VanDerWaalsContact CG-CZ 3.46Å; L195-R199 VanDerWaalsContact O-CB 3.31Å; L195-R199 WeakPolarHBondContact O-CB 3.41Å; L195-R199 WeakPolarHBondContact O-CG 3.25Å; L195-R199 PolarHBondContact O-N 3.42Å; L195-E234 HydrophobicContact CD1-CB 4.1Å; L195-E234 WeakPolarHBondContact CD1-O 3.43Å; L195-E234 WeakPolarHBondContact CD2-OE2 3.25Å; L195-A238 HydrophobicContact CD1-CB 3.71Å |
| 196 | A | 84.8 | Confident | 82.5 | Confident | 7 Ų | 7 | 37.1 Ų | 37.1 | 6% | 0.058 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.9 | -42.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A157 I161 E192 M193 I194 R199 T200 | A157-A196 HydrophobicContact CB-CB 3.7Å; I161-A196 HydrophobicContact CD1-CB 4.46Å; E192-A196 WeakPolarHBondContact O-CB 3.34Å; E192-A196 PolarHBondContact O-N 2.94Å; M193-A196 PolarHBondContact O-N 2.85Å; I194-A196 PolarHBondContact O-N 3.44Å; A196-R199 PolarHBondContact O-N 2.96Å; A196-T200 WeakPolarHBondContact O-CB 3.38Å; A196-T200 PolarHBondContact O-N 2.87Å; A196-T200 PolarHBondContact O-OG1 3.48Å |
| 197 | A | 86.4 | Confident | 81.8 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.4 | -49 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L182 M185 V186 M193 I194 R199 T200 L201 | L182-A197 HydrophobicContact CB-CB 4.29Å; L182-A197 HydrophobicContact CD2-CB 4.11Å; M185-A197 HydrophobicContact CB-CB 4.15Å; V186-A197 HydrophobicContact CG2-CB 3.89Å; M193-A197 VanDerWaalsContact O-CB 3.25Å; M193-A197 WeakPolarHBondContact O-CB 3.42Å; M193-A197 PolarHBondContact O-N 3.45Å; I194-A197 PolarHBondContact O-N 2.88Å; A197-R199 PolarHBondContact O-N 3.01Å; A197-T200 WeakPolarHBondContact O-CB 3.42Å; A197-T200 PolarHBondContact O-N 3.34Å; A197-L201 VanDerWaalsContact O-CG 3.29Å; A197-L201 WeakPolarHBondContact O-CG 3.13Å; A197-L201 PolarHBondContact O-N 3.18Å |
| 198 | V | 87 | Confident | 81.6 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.5 | -39.3 | 179.5 | 175.9 | 0 | 0 | 0 | 0 | 111.7 | I194 L201 S202 I227 A238 L242 | I194-V198 HydrophobicContact CG2-CG2 4.21Å; I194-V198 WeakPolarHBondContact O-CB 3.46Å; I194-V198 VanDerWaalsContact O-CG2 3.23Å; I194-V198 WeakPolarHBondContact O-CG2 3.33Å; I194-V198 PolarHBondContact O-N 2.94Å; V198-L201 PolarHBondContact O-N 2.99Å; V198-S202 WeakPolarHBondContact O-CB 3.23Å; V198-S202 PolarHBondContact O-N 3.44Å; V198-I227 HydrophobicContact CG2-CG2 4.26Å; V198-A238 HydrophobicContact CB-CB 4.29Å; V198-A238 HydrophobicContact CG1-CB 3.82Å; V198-A238 WeakPolarHBondContact CG1-O 3.43Å; V198-L242 HydrophobicContact CG1-CB 4.06Å; V198-L242 HydrophobicContact CG1-CD2 4.16Å |
| 199 | R | 87.8 | Confident | 81.5 | Confident | 104 Ų | 104 | 33.8 Ų | 33.8 | 39% | 0.392 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -65.6 | -38.4 | 175.5 | -75.9 | 173.9 | 178.3 | 165.6 | 2.6 | 112.5 | I161 L195 A196 A197 S202 G203 A238 | I161-R199 HydrophobicContact CD1-CB 3.99Å; I161-R199 HydrophobicContact CG1-CB 4.02Å; I161-R199 HydrophobicContact CG2-CB 4.41Å; L195-R199 VanDerWaalsContact CD2-CZ 3.5Å; L195-R199 VanDerWaalsContact CG-CZ 3.46Å; L195-R199 VanDerWaalsContact O-CB 3.31Å; L195-R199 WeakPolarHBondContact O-CB 3.41Å; L195-R199 WeakPolarHBondContact O-CG 3.25Å; L195-R199 PolarHBondContact O-N 3.42Å; A196-R199 PolarHBondContact O-N 2.96Å; A197-R199 PolarHBondContact O-N 3.01Å; R199-S202 PolarHBondContact O-N 3.37Å; R199-G203 PolarHBondContact O-N 3.42Å; R199-A238 HydrophobicContact CG-CB 4.4Å |
| 200 | T | 87 | Confident | 81.8 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.6 | -49.1 | 174.2 | -61.2 | 0 | 0 | 0 | 0 | 111 | L160 L182 A196 A197 S202 G203 M204 | L160-T200 HydrophobicContact CD2-CG2 3.13Å; L160-T200 VanDerWaalsContact CD2-OG1 3.26Å; L160-T200 WeakPolarHBondContact CD2-OG1 3.38Å; L182-T200 HydrophobicContact CD1-CG2 3.6Å; L182-T200 HydrophobicContact CD2-CG2 4.01Å; L182-T200 HydrophobicContact CG-CG2 4.48Å; A196-T200 WeakPolarHBondContact O-CB 3.38Å; A196-T200 PolarHBondContact O-N 2.87Å; A196-T200 PolarHBondContact O-OG1 3.48Å; A197-T200 WeakPolarHBondContact O-CB 3.42Å; A197-T200 PolarHBondContact O-N 3.34Å; T200-S202 PolarHBondContact O-N 3.09Å; T200-G203 PolarHBondContact O-N 3.18Å; T200-G203 VanDerWaalsContact O-N 3.12Å; T200-M204 HydrophobicContact CG2-CG 4.46Å; T200-M204 HydrophobicContact CG2-SD 4.11Å; T200-M204 WeakPolarHBondContact O-CG 3.43Å; T200-M204 PolarHBondContact O-N 3.06Å |
| 201 | L | 87.3 | Confident | 81.8 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.5 | -40.6 | 176.8 | -71 | 166.2 | 0 | 0 | 0 | 111.1 | V179 L182 A197 V198 M204 C205 I215 M219 L242 | V179-L201 HydrophobicContact CG1-CD2 4.32Å; L182-L201 HydrophobicContact CB-CD1 4.44Å; L182-L201 HydrophobicContact CB-CD2 4.35Å; L182-L201 HydrophobicContact CB-CG 4.33Å; L182-L201 HydrophobicContact CD1-CD2 3.78Å; L182-L201 HydrophobicContact CD1-CG 3.97Å; A197-L201 VanDerWaalsContact O-CG 3.29Å; A197-L201 WeakPolarHBondContact O-CG 3.13Å; A197-L201 PolarHBondContact O-N 3.18Å; V198-L201 PolarHBondContact O-N 2.99Å; L201-M204 PolarHBondContact O-N 3.39Å; L201-C205 PolarHBondContact O-N 3.04Å; L201-C205 PolarHBondContact O-SG 3.32Å; L201-I215 HydrophobicContact CD2-CD1 4.47Å; L201-I215 HydrophobicContact CD2-CG2 4.35Å; L201-M219 HydrophobicContact CD1-CE 3.77Å; L201-M219 HydrophobicContact CD1-SD 3.65Å; L201-M219 HydrophobicContact CD2-SD 4.49Å; L201-L242 HydrophobicContact CB-CD1 3.94Å; L201-L242 HydrophobicContact CB-CD2 4.36Å |
| 202 | S | 86.5 | Confident | 81.8 | Confident | 18 Ų | 18 | 26.3 Ų | 26.3 | 13% | 0.126 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.6 | -45.4 | 175.5 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | V198 R199 T200 C205 T206 C245 | V198-S202 WeakPolarHBondContact O-CB 3.23Å; V198-S202 PolarHBondContact O-N 3.44Å; R199-S202 PolarHBondContact O-N 3.37Å; T200-S202 PolarHBondContact O-N 3.09Å; S202-C205 PolarHBondContact O-N 3.31Å; S202-T206 WeakPolarHBondContact O-CG2 3.4Å; S202-T206 PolarHBondContact O-N 3.29Å; S202-C245 PolarHBondContact OG-SG 2.98Å |
| 203 | G | 83.9 | Confident | 81.7 | Confident | 6 Ų | 6 | 23 Ų | 23 | 6% | 0.062 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59 | -46.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S164 R199 T200 C205 T206 | S164-G203 CarbonylContact O-C 3.57Å; S164-G203 WeakPolarHBondContact O-CA 3.25Å; R199-G203 PolarHBondContact O-N 3.42Å; T200-G203 PolarHBondContact O-N 3.18Å; T200-G203 VanDerWaalsContact O-N 3.12Å; G203-C205 PolarHBondContact O-N 2.87Å; G203-T206 WeakPolarHBondContact O-CB 3.44Å; G203-T206 PolarHBondContact O-N 2.93Å; G203-T206 PolarHBondContact O-OG1 3.46Å |
| 204 | M | 82.9 | Confident | 81.7 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.6 | -29.9 | 178.6 | -67.3 | 174.4 | 66.7 | 0 | 0 | 114.1 | A170 I173 F174 V179 L182 T200 L201 I215 | A170-M204 HydrophobicContact CB-CG 4.34Å; I173-M204 HydrophobicContact CB-CE 4.36Å; I173-M204 HydrophobicContact CB-SD 4.28Å; I173-M204 HydrophobicContact CG2-CE 3.88Å; I173-M204 HydrophobicContact CG2-CG 4.49Å; I173-M204 HydrophobicContact CG2-SD 3.52Å; I173-M204 VanDerWaalsContact CG2-SD 3.52Å; F174-M204 HydrophobicContact CB-CE 3.78Å; F174-M204 HydrophobicContact CD2-CE 3.9Å; F174-M204 HydrophobicContact CG-CE 4.36Å; V179-M204 HydrophobicContact CG2-CE 4.01Å; L182-M204 HydrophobicContact CD1-SD 4Å; T200-M204 HydrophobicContact CG2-CG 4.46Å; T200-M204 HydrophobicContact CG2-SD 4.11Å; T200-M204 WeakPolarHBondContact O-CG 3.43Å; T200-M204 PolarHBondContact O-N 3.06Å; L201-M204 PolarHBondContact O-N 3.39Å; M204-I215 HydrophobicContact CB-CD1 4.16Å |
| 205 | C | 80.1 | Confident | 81.6 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -75.3 | -22.5 | 176 | -70.9 | 0 | 0 | 0 | 0 | 112.8 | L201 S202 G203 G207 H208 A212 I215 C245 S249 | L201-C205 PolarHBondContact O-N 3.04Å; L201-C205 PolarHBondContact O-SG 3.32Å; S202-C205 PolarHBondContact O-N 3.31Å; G203-C205 PolarHBondContact O-N 2.87Å; C205-G207 PolarHBondContact O-N 3.32Å; C205-H208 PolarHBondContact O-N 3.3Å; C205-A212 HydrophobicContact CB-CB 4.4Å; C205-I215 WeakPolarHBondContact SG-CD1 3.43Å; C205-C245 HydrophobicContact CB-CB 4.07Å; C205-S249 PolarHBondContact O-OG 3.28Å |
| 206 | T | 78.8 | Confident | 81.5 | Confident | 32 Ų | 32 | 22 Ų | 22 | 20% | 0.196 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | 125.7 | -171.1 | 59.9 | 0 | 0 | 0 | 0 | 112.7 | S202 G203 H208 C245 | S202-T206 WeakPolarHBondContact O-CG2 3.4Å; S202-T206 PolarHBondContact O-N 3.29Å; G203-T206 WeakPolarHBondContact O-CB 3.44Å; G203-T206 PolarHBondContact O-N 2.93Å; G203-T206 PolarHBondContact O-OG1 3.46Å; T206-H208 VanDerWaalsContact C-N 3.29Å; T206-H208 PolarHBondContact O-N 3.01Å; T206-C245 HydrophobicContact CG2-CB 4.48Å |
| 207 | G | 67.3 | Low | 81.4 | Confident | 19 Ų | 19 | 27 Ų | 27 | 20% | 0.196 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 1.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | C205 D254 | C205-G207 PolarHBondContact O-N 3.32Å; G207-D254 PolarHBondContact N-OD2 3.36Å |
| 208 | H | 75 | Confident | 81.2 | Confident | 38 Ų | 38 | 32.3 Ų | 32.3 | 18% | 0.176 | 18% | 0.177 | C | C | . | . | trans | -134.5 | 107.3 | -169.7 | -80.5 | -101.4 | 0 | 0 | 0 | 114.7 | D167 C205 T206 R211 A212 Y258 | D167-H208 IonicContact OD1-CD2 3.98Å; D167-H208 PolarHBondContact OD1-CD2 3.19Å; D167-H208 IonicContact OD1-CE1 2.86Å; D167-H208 IonicContact OD1-NE2 3.61Å; D167-H208 PolarHBondContact OD1-NE2 3.32Å; D167-H208 IonicContact OD2-NE2 3.48Å; C205-H208 PolarHBondContact O-N 3.3Å; T206-H208 VanDerWaalsContact C-N 3.29Å; T206-H208 PolarHBondContact O-N 3.01Å; H208-R211 HydrophobicContact CB-CB 4.25Å; H208-R211 PolarHBondContact CD2-NH2 3.41Å; H208-R211 PolarHBondContact CE1-NH2 3.42Å; H208-R211 VanDerWaalsContact CE1-NH2 3.27Å; H208-R211 PolarHBondContact ND1-NH2 2.9Å; H208-R211 PolarHBondContact NE2-NH2 3.44Å; H208-A212 WeakPolarHBondContact O-CB 3.17Å; H208-A212 PolarHBondContact O-N 3.47Å; H208-A212 VanDerWaalsContact O-N 3.12Å; H208-Y258 AromaticContact CD2-CD2 3.95Å; H208-Y258 VanDerWaalsContact NE2-CB 3.28Å; H208-Y258 WeakPolarHBondContact NE2-CB 3.44Å; H208-Y258 AromaticContact NE2-CD1 3.95Å; H208-Y258 AromaticContact NE2-CD2 3.72Å; H208-Y258 AromaticContact NE2-CG 3.39Å | ||
| 209 | K | 75.6 | Confident | 80.9 | Confident | 90 Ų | 90 | 32.8 Ų | 32.8 | 39% | 0.391 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -60.7 | -46.9 | -178.3 | -73.5 | 178.5 | -178.6 | -176.9 | 0 | 113.8 | A212 M213 S249 V265 | K209-A212 PolarHBondContact O-N 3.04Å; K209-M213 WeakPolarHBondContact O-CB 3.38Å; K209-M213 PolarHBondContact O-N 3.28Å; K209-S249 VanDerWaalsContact CE-O 3.27Å; K209-S249 WeakPolarHBondContact CE-O 3.49Å; K209-S249 WeakPolarHBondContact CG-O 3.5Å; K209-V265 HydrophobicContact CB-CG2 4.05Å |
| 210 | A | 76.1 | Confident | 80.6 | Confident | 68 Ų | 68 | 29.2 Ų | 29.2 | 56% | 0.562 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -64.8 | -43.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | M213 A214 | A210-M213 PolarHBondContact O-N 3.49Å; A210-A214 WeakPolarHBondContact O-CB 3.48Å; A210-A214 PolarHBondContact O-N 3.26Å |
| 211 | R | 80.2 | Confident | 80.4 | Confident | 21 Ų | 21 | 30.1 Ų | 30.1 | 8% | 0.079 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.1 | -44.9 | 176.8 | -72.7 | -172.2 | -78.5 | -177.3 | -7.8 | 112 | D167 A170 F174 H208 M213 A214 I215 | D167-R211 IonicContact OD1-CZ 3.29Å; D167-R211 IonicContact OD1-NH2 3.51Å; D167-R211 PolarHBondContact OD1-NH2 3Å; A170-R211 PolarHBondContact O-NH1 3.35Å; F174-R211 HydrophobicContact CD2-CG 4.24Å; F174-R211 HydrophobicContact CE2-CG 4.41Å; F174-R211 HydrophobicContact CG-CG 4.3Å; H208-R211 HydrophobicContact CB-CB 4.25Å; H208-R211 PolarHBondContact CD2-NH2 3.41Å; H208-R211 PolarHBondContact CE1-NH2 3.42Å; H208-R211 VanDerWaalsContact CE1-NH2 3.27Å; H208-R211 PolarHBondContact ND1-NH2 2.9Å; H208-R211 PolarHBondContact NE2-NH2 3.44Å; R211-M213 VanDerWaalsContact C-N 3.31Å; R211-M213 PolarHBondContact O-N 3.31Å; R211-A214 PolarHBondContact O-N 2.95Å; R211-I215 WeakPolarHBondContact O-CB 3.46Å; R211-I215 VanDerWaalsContact O-CG1 3.27Å; R211-I215 WeakPolarHBondContact O-CG1 3.25Å; R211-I215 PolarHBondContact O-N 3.02Å |
| 212 | A | 80.7 | Confident | 80.2 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.4 | -44.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | C205 H208 K209 I215 V216 | C205-A212 HydrophobicContact CB-CB 4.4Å; H208-A212 WeakPolarHBondContact O-CB 3.17Å; H208-A212 PolarHBondContact O-N 3.47Å; H208-A212 VanDerWaalsContact O-N 3.12Å; K209-A212 PolarHBondContact O-N 3.04Å; A212-I215 PolarHBondContact O-N 3.2Å; A212-V216 VanDerWaalsContact O-CG2 3.29Å; A212-V216 WeakPolarHBondContact O-CG2 3.27Å; A212-V216 PolarHBondContact O-N 3.47Å |
| 213 | M | 79.1 | Confident | 80.1 | Confident | 24 Ų | 24 | 38.7 Ų | 38.7 | 12% | 0.118 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.5 | -43 | 177.4 | -171.6 | 176.4 | -73.3 | 0 | 0 | 112.4 | K209 A210 R211 I215 V216 N217 L250 V265 A268 | K209-M213 WeakPolarHBondContact O-CB 3.38Å; K209-M213 PolarHBondContact O-N 3.28Å; A210-M213 PolarHBondContact O-N 3.49Å; R211-M213 VanDerWaalsContact C-N 3.31Å; R211-M213 PolarHBondContact O-N 3.31Å; M213-I215 VanDerWaalsContact C-N 3.34Å; M213-I215 PolarHBondContact O-N 3.43Å; M213-V216 PolarHBondContact O-N 3.37Å; M213-N217 WeakPolarHBondContact O-CB 3.45Å; M213-N217 PolarHBondContact O-N 2.92Å; M213-N217 PolarHBondContact O-ND2 3.02Å; M213-L250 HydrophobicContact CE-CD2 4.36Å; M213-V265 HydrophobicContact CE-CG1 3.41Å; M213-V265 VanDerWaalsContact CE-CG1 3.41Å; M213-V265 HydrophobicContact SD-CG1 4.33Å; M213-A268 HydrophobicContact CE-CB 4.46Å |
| 214 | A | 80.4 | Confident | 80.1 | Confident | 24 Ų | 24 | 38.5 Ų | 38.5 | 20% | 0.198 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.8 | -42.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F174 A210 R211 N217 M218 | F174-A214 HydrophobicContact CE2-CB 3.96Å; F174-A214 HydrophobicContact CZ-CB 3.8Å; A210-A214 WeakPolarHBondContact O-CB 3.48Å; A210-A214 PolarHBondContact O-N 3.26Å; R211-A214 PolarHBondContact O-N 2.95Å; A214-N217 PolarHBondContact O-N 3.46Å; A214-M218 WeakPolarHBondContact O-CB 3.43Å; A214-M218 VanDerWaalsContact O-CG 3.29Å; A214-M218 WeakPolarHBondContact O-CG 3.4Å; A214-M218 PolarHBondContact O-N 2.65Å |
| 215 | I | 82.7 | Confident | 80.1 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.1 | -43.8 | 178.2 | -69.9 | 165.7 | 0 | 0 | 0 | 111 | V179 L201 M204 C205 R211 A212 M213 N217 M218 M219 | V179-I215 HydrophobicContact CG1-CG1 4.42Å; V179-I215 HydrophobicContact CG2-CG1 3.97Å; L201-I215 HydrophobicContact CD2-CD1 4.47Å; L201-I215 HydrophobicContact CD2-CG2 4.35Å; M204-I215 HydrophobicContact CB-CD1 4.16Å; C205-I215 WeakPolarHBondContact SG-CD1 3.43Å; R211-I215 WeakPolarHBondContact O-CB 3.46Å; R211-I215 VanDerWaalsContact O-CG1 3.27Å; R211-I215 WeakPolarHBondContact O-CG1 3.25Å; R211-I215 PolarHBondContact O-N 3.02Å; A212-I215 PolarHBondContact O-N 3.2Å; M213-I215 VanDerWaalsContact C-N 3.34Å; M213-I215 PolarHBondContact O-N 3.43Å; I215-N217 VanDerWaalsContact C-N 3.33Å; I215-N217 PolarHBondContact O-N 3.33Å; I215-M218 PolarHBondContact O-N 3.27Å; I215-M219 HydrophobicContact CG2-CG 4.17Å; I215-M219 HydrophobicContact CG2-SD 3.7Å; I215-M219 WeakPolarHBondContact O-CB 3.43Å; I215-M219 WeakPolarHBondContact O-CG 3.44Å; I215-M219 PolarHBondContact O-N 3.34Å |
| 216 | V | 82.5 | Confident | 80.3 | Confident | 8 Ų | 8 | 42.8 Ų | 42.8 | 5% | 0.048 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60 | -44 | 176.4 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | A212 M213 G220 I221 I246 | A212-V216 VanDerWaalsContact O-CG2 3.29Å; A212-V216 WeakPolarHBondContact O-CG2 3.27Å; A212-V216 PolarHBondContact O-N 3.47Å; M213-V216 PolarHBondContact O-N 3.37Å; V216-G220 WeakPolarHBondContact O-CA 3.35Å; V216-G220 PolarHBondContact O-N 3.15Å; V216-I221 HydrophobicContact CG1-CD1 4.42Å; V216-I221 HydrophobicContact CG1-CG1 4.02Å; V216-I246 HydrophobicContact CG2-CD1 3.87Å; V216-I246 HydrophobicContact CG2-CG1 4.19Å; V216-I246 HydrophobicContact CG2-CG2 3.54Å |
| 217 | N | 83 | Confident | 80.6 | Confident | 112 Ų | 112 | 41.7 Ų | 41.7 | 60% | 0.599 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -68.9 | -36.6 | 179.4 | -71.9 | -22.5 | 0 | 0 | 0 | 112.9 | M213 A214 I215 | M213-N217 WeakPolarHBondContact O-CB 3.45Å; M213-N217 PolarHBondContact O-N 2.92Å; M213-N217 PolarHBondContact O-ND2 3.02Å; A214-N217 PolarHBondContact O-N 3.46Å; I215-N217 VanDerWaalsContact C-N 3.33Å; I215-N217 PolarHBondContact O-N 3.33Å |
| 218 | M | 80.9 | Confident | 81.4 | Confident | 112 Ų | 112 | 40.8 Ų | 40.8 | 55% | 0.552 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -77.1 | -40.5 | 179.8 | -73.5 | 180 | 179.6 | 0 | 0 | 113.3 | V179 A214 I215 | V179-M218 HydrophobicContact CB-SD 4.17Å; V179-M218 HydrophobicContact CG1-CB 4.22Å; V179-M218 HydrophobicContact CG1-SD 3.99Å; A214-M218 WeakPolarHBondContact O-CB 3.43Å; A214-M218 VanDerWaalsContact O-CG 3.29Å; A214-M218 WeakPolarHBondContact O-CG 3.4Å; A214-M218 PolarHBondContact O-N 2.65Å; I215-M218 PolarHBondContact O-N 3.27Å |
| 219 | M | 80.9 | Confident | 81.9 | Confident | 10 Ų | 10 | 40.1 Ų | 40.1 | 5% | 0.049 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -81.5 | -35.5 | -179.3 | -66.3 | -173.2 | 73.7 | 0 | 0 | 112.8 | L183 L201 I215 K223 I224 I227 L242 | L183-M219 HydrophobicContact CD1-CG 4.26Å; L183-M219 HydrophobicContact CD2-CB 4.38Å; L183-M219 HydrophobicContact CD2-CE 3.86Å; L183-M219 HydrophobicContact CD2-CG 3.77Å; L183-M219 HydrophobicContact CD2-SD 4.49Å; L183-M219 HydrophobicContact CG-CG 4.25Å; L201-M219 HydrophobicContact CD1-CE 3.77Å; L201-M219 HydrophobicContact CD1-SD 3.65Å; L201-M219 HydrophobicContact CD2-SD 4.49Å; I215-M219 HydrophobicContact CG2-CG 4.17Å; I215-M219 HydrophobicContact CG2-SD 3.7Å; I215-M219 WeakPolarHBondContact O-CB 3.43Å; I215-M219 WeakPolarHBondContact O-CG 3.44Å; I215-M219 PolarHBondContact O-N 3.34Å; M219-K223 VanDerWaalsContact O-CB 3.25Å; M219-K223 WeakPolarHBondContact O-CB 3.49Å; M219-I224 HydrophobicContact CB-CD1 4.42Å; M219-I224 HydrophobicContact CB-CG1 4.27Å; M219-I224 HydrophobicContact CE-CG1 4.05Å; M219-I224 HydrophobicContact SD-CD1 4.37Å; M219-I224 HydrophobicContact SD-CG1 4.33Å; M219-I227 HydrophobicContact CE-CD1 4.24Å; M219-L242 HydrophobicContact CE-CD2 4.5Å; M219-L242 HydrophobicContact SD-CD2 4.42Å |
| 220 | G | 82.4 | Confident | 82.3 | Confident | 29 Ų | 29 | 39.5 Ų | 39.5 | 30% | 0.299 | 23% | 0.233 | S | C | . | . | trans | 74.9 | 139 | -167.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V216 D222 K223 I224 | V216-G220 WeakPolarHBondContact O-CA 3.35Å; V216-G220 PolarHBondContact O-N 3.15Å; G220-D222 VanDerWaalsContact C-N 3.28Å; G220-D222 PolarHBondContact O-N 3.37Å; G220-K223 PolarHBondContact O-N 2.95Å; G220-I224 PolarHBondContact O-N 3.15Å | ||
| 221 | I | 82.5 | Confident | 82.4 | Confident | 22 Ų | 22 | 42.5 Ų | 42.5 | 11% | 0.113 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.6 | -39.2 | -178.7 | -62.6 | 164.5 | 0 | 0 | 0 | 111 | V216 K223 I224 C225 F243 T274 I275 A278 | V216-I221 HydrophobicContact CG1-CD1 4.42Å; V216-I221 HydrophobicContact CG1-CG1 4.02Å; I221-K223 VanDerWaalsContact C-N 3.3Å; I221-K223 PolarHBondContact O-N 3.2Å; I221-I224 PolarHBondContact O-N 3.28Å; I221-C225 PolarHBondContact O-N 3.49Å; I221-C225 PolarHBondContact O-SG 3.11Å; I221-F243 HydrophobicContact CG2-CE1 4.37Å; I221-T274 HydrophobicContact CD1-CG2 3.7Å; I221-I275 HydrophobicContact CD1-CG1 3.61Å; I221-I275 HydrophobicContact CG1-CG1 4Å; I221-I275 HydrophobicContact CG2-CG1 4.34Å; I221-A278 HydrophobicContact CG2-CB 3.75Å |
| 222 | D | 82.9 | Confident | 82.5 | Confident | 125 Ų | 125 | 44.2 Ų | 44.2 | 67% | 0.668 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -62.9 | -34.7 | -178.6 | -62.7 | -33.8 | 0 | 0 | 0 | 113.1 | G220 C225 S226 | G220-D222 VanDerWaalsContact C-N 3.28Å; G220-D222 PolarHBondContact O-N 3.37Å; D222-C225 PolarHBondContact O-N 2.94Å; D222-S226 WeakPolarHBondContact O-CB 3.44Å; D222-S226 PolarHBondContact O-N 3.42Å; D222-S226 PolarHBondContact O-OG 3.31Å |
| 223 | K | 83.4 | Confident | 82.5 | Confident | 73 Ų | 73 | 48.3 Ų | 48.3 | 32% | 0.317 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -71.6 | -39.5 | 178.2 | -160.5 | 162.4 | -176.4 | 175.3 | 0 | 110.6 | E187 M219 G220 I221 S226 I227 | E187-K223 IonicContact OE1-NZ 2.91Å; E187-K223 PolarHBondContact OE1-NZ 2.98Å; M219-K223 VanDerWaalsContact O-CB 3.25Å; M219-K223 WeakPolarHBondContact O-CB 3.49Å; G220-K223 PolarHBondContact O-N 2.95Å; I221-K223 VanDerWaalsContact C-N 3.3Å; I221-K223 PolarHBondContact O-N 3.2Å; K223-S226 WeakPolarHBondContact O-CB 3.46Å; K223-S226 PolarHBondContact O-N 3.36Å; K223-I227 WeakPolarHBondContact O-CG1 3.36Å; K223-I227 PolarHBondContact O-N 3.32Å |
| 224 | I | 84.1 | Confident | 82.6 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 174.2 | -50.1 | 174.1 | 0 | 0 | 0 | 110.5 | M219 G220 I221 S226 I227 M228 L242 F243 I246 | M219-I224 HydrophobicContact CB-CD1 4.42Å; M219-I224 HydrophobicContact CB-CG1 4.27Å; M219-I224 HydrophobicContact CE-CG1 4.05Å; M219-I224 HydrophobicContact SD-CD1 4.37Å; M219-I224 HydrophobicContact SD-CG1 4.33Å; G220-I224 PolarHBondContact O-N 3.15Å; I221-I224 PolarHBondContact O-N 3.28Å; I224-S226 VanDerWaalsContact C-N 3.29Å; I224-S226 PolarHBondContact O-N 3.04Å; I224-I227 PolarHBondContact O-N 3.36Å; I224-M228 PolarHBondContact O-N 3.18Å; I224-L242 HydrophobicContact CD1-CD2 4.48Å; I224-L242 HydrophobicContact CG2-CD2 4.17Å; I224-F243 HydrophobicContact CB-CE1 4.29Å; I224-F243 HydrophobicContact CB-CE2 3.85Å; I224-F243 HydrophobicContact CB-CZ 3.57Å; I224-F243 HydrophobicContact CG2-CD2 3.72Å; I224-F243 HydrophobicContact CG2-CE1 4.08Å; I224-F243 HydrophobicContact CG2-CE2 3.18Å; I224-F243 HydrophobicContact CG2-CG 4.37Å; I224-F243 HydrophobicContact CG2-CZ 3.39Å; I224-I246 HydrophobicContact CD1-CD1 4.16Å |
| 225 | C | 83.7 | Confident | 82.8 | Confident | 14 Ų | 14 | 51.9 Ų | 51.9 | 10% | 0.095 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.3 | -37 | 172.2 | -72.2 | 0 | 0 | 0 | 0 | 112.4 | I221 D222 M228 A229 M282 | I221-C225 PolarHBondContact O-N 3.49Å; I221-C225 PolarHBondContact O-SG 3.11Å; D222-C225 PolarHBondContact O-N 2.94Å; C225-M228 PolarHBondContact O-N 2.79Å; C225-A229 WeakPolarHBondContact O-CB 3.33Å; C225-A229 PolarHBondContact O-N 3.01Å; C225-M282 HydrophobicContact CB-SD 4.18Å |
| 226 | S | 84.5 | Confident | 82.9 | Confident | 76 Ų | 76 | 51.9 Ų | 51.9 | 53% | 0.531 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.7 | -39.2 | 176.5 | -59.9 | 0 | 0 | 0 | 0 | 112.3 | D222 K223 I224 M228 A229 | D222-S226 WeakPolarHBondContact O-CB 3.44Å; D222-S226 PolarHBondContact O-N 3.42Å; D222-S226 PolarHBondContact O-OG 3.31Å; K223-S226 WeakPolarHBondContact O-CB 3.46Å; K223-S226 PolarHBondContact O-N 3.36Å; I224-S226 VanDerWaalsContact C-N 3.29Å; I224-S226 PolarHBondContact O-N 3.04Å; S226-M228 VanDerWaalsContact C-N 3.33Å; S226-A229 PolarHBondContact O-N 3.11Å |
| 227 | I | 84.6 | Confident | 82.9 | Confident | 9 Ų | 9 | 54.3 Ų | 54.3 | 5% | 0.046 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 173.5 | -63.4 | 164.2 | 0 | 0 | 0 | 110.3 | V186 I194 V198 M219 K223 I224 A229 L230 I235 A239 | V186-I227 HydrophobicContact CG1-CD1 3.79Å; V186-I227 HydrophobicContact CG1-CG1 4.03Å; I194-I227 HydrophobicContact CG2-CG2 4.13Å; V198-I227 HydrophobicContact CG2-CG2 4.26Å; M219-I227 HydrophobicContact CE-CD1 4.24Å; K223-I227 WeakPolarHBondContact O-CG1 3.36Å; K223-I227 PolarHBondContact O-N 3.32Å; I224-I227 PolarHBondContact O-N 3.36Å; I227-A229 VanDerWaalsContact C-N 3.27Å; I227-A229 PolarHBondContact O-N 3.21Å; I227-L230 WeakPolarHBondContact O-CB 3.35Å; I227-L230 WeakPolarHBondContact O-CG 3.46Å; I227-L230 PolarHBondContact O-N 3.16Å; I227-I235 HydrophobicContact CG2-CG2 3.65Å; I227-A239 HydrophobicContact CG2-CB 4.19Å |
| 228 | M | 84.5 | Confident | 83 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.4 | -25.9 | 177.3 | -175.2 | 162.8 | 56.8 | 0 | 0 | 112.9 | I224 C225 S226 L230 A239 F243 L279 M282 G292 Q295 L299 | I224-M228 PolarHBondContact O-N 3.18Å; C225-M228 PolarHBondContact O-N 2.79Å; S226-M228 VanDerWaalsContact C-N 3.33Å; M228-L230 VanDerWaalsContact C-N 3.27Å; M228-L230 PolarHBondContact O-N 2.82Å; M228-A239 HydrophobicContact CB-CB 3.97Å; M228-F243 HydrophobicContact CE-CD2 4.03Å; M228-F243 HydrophobicContact CE-CE2 3.71Å; M228-F243 HydrophobicContact SD-CD2 4.39Å; M228-L279 HydrophobicContact CE-CD2 3.58Å; M228-M282 HydrophobicContact CE-CE 3.15Å; M228-M282 HydrophobicContact CE-SD 3.66Å; M228-M282 HydrophobicContact CG-CE 4.17Å; M228-M282 HydrophobicContact SD-CE 4.08Å; M228-G292 WeakPolarHBondContact O-CA 3.43Å; M228-Q295 HydrophobicContact CG-CB 4.46Å; M228-Q295 HydrophobicContact SD-CB 4.01Å; M228-L299 HydrophobicContact CE-CD1 4.14Å; M228-L299 HydrophobicContact SD-CD1 4.02Å |
| 229 | A | 84.7 | Confident | 83.3 | Confident | 24 Ų | 24 | 44 Ų | 44 | 20% | 0.198 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -11.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | C225 S226 I227 V288 S289 | C225-A229 WeakPolarHBondContact O-CB 3.33Å; C225-A229 PolarHBondContact O-N 3.01Å; S226-A229 PolarHBondContact O-N 3.11Å; I227-A229 VanDerWaalsContact C-N 3.27Å; I227-A229 PolarHBondContact O-N 3.21Å; A229-V288 HydrophobicContact CB-CB 4.39Å; A229-V288 HydrophobicContact CB-CG1 4.14Å; A229-V288 HydrophobicContact CB-CG2 4.24Å; A229-S289 WeakPolarHBondContact O-CB 3.38Å; A229-S289 PolarHBondContact O-N 3.29Å; A229-S289 VanDerWaalsContact O-N 3.11Å; A229-S289 PolarHBondContact O-OG 3.02Å |
| 230 | L | 83.6 | Confident | 83.5 | Confident | 77 Ų | 77 | 43.6 Ų | 43.6 | 40% | 0.403 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -62.7 | 151.6 | 177.2 | -65.6 | 173.1 | 0 | 0 | 0 | 111.7 | I227 M228 N232 I235 S289 | I227-L230 WeakPolarHBondContact O-CB 3.35Å; I227-L230 WeakPolarHBondContact O-CG 3.46Å; I227-L230 PolarHBondContact O-N 3.16Å; M228-L230 VanDerWaalsContact C-N 3.27Å; M228-L230 PolarHBondContact O-N 2.82Å; L230-N232 VanDerWaalsContact C-N 3.26Å; L230-N232 PolarHBondContact O-N 2.85Å; L230-I235 HydrophobicContact CD1-CG2 4.27Å; L230-S289 PolarHBondContact O-OG 3.48Å |
| 231 | D | 78.4 | Confident | 83.6 | Confident | 132 Ų | 132 | 45.6 Ų | 45.6 | 71% | 0.706 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -86.4 | 62.8 | -179.6 | -161.2 | 27.1 | 0 | 0 | 0 | 111.5 | H291 | D231-H291 IonicContact OD1-CD2 3.8Š|
| 232 | N | 82.6 | Confident | 83.8 | Confident | 57 Ų | 57 | 44.6 Ų | 44.6 | 31% | 0.305 | 24% | 0.239 | S | C | . | . | trans | -148.3 | 121.7 | 174.1 | -173.3 | -35.5 | 0 | 0 | 0 | 110.4 | L230 E234 I235 A236 | L230-N232 VanDerWaalsContact C-N 3.26Å; L230-N232 PolarHBondContact O-N 2.85Å; N232-E234 PolarHBondContact O-N 3.44Å; N232-E234 PolarHBondContact OD1-N 3.28Å; N232-I235 HydrophobicContact CB-CB 4.15Å; N232-I235 HydrophobicContact CB-CD1 3.93Å; N232-I235 HydrophobicContact CB-CG1 4.08Å; N232-I235 PolarHBondContact O-N 2.86Å; N232-A236 WeakPolarHBondContact O-CB 3.35Å; N232-A236 PolarHBondContact O-N 3.18Å | ||
| 233 | E | 80.6 | Confident | 83.9 | Confident | 86 Ų | 86 | 39 Ų | 39 | 40% | 0.402 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.2 | -44.2 | -177.5 | -173.9 | 178.6 | 177.8 | 0 | 0 | 112.6 | L237 | E233-L237 WeakPolarHBondContact O-CB 3.33Å; E233-L237 PolarHBondContact O-N 3.31Å |
| 234 | E | 81.8 | Confident | 83.9 | Confident | 114 Ų | 114 | 36.9 Ų | 36.9 | 53% | 0.533 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -70.9 | -36.9 | -176.1 | -64.2 | -166.9 | 179 | 0 | 0 | 112.4 | L195 N232 A238 | L195-E234 HydrophobicContact CD1-CB 4.1Å; L195-E234 WeakPolarHBondContact CD1-O 3.43Å; L195-E234 WeakPolarHBondContact CD2-OE2 3.25Å; N232-E234 PolarHBondContact O-N 3.44Å; N232-E234 PolarHBondContact OD1-N 3.28Å; E234-A238 WeakPolarHBondContact O-CB 3.44Å; E234-A238 PolarHBondContact O-N 3.28Å |
| 235 | I | 84.8 | Confident | 83.8 | Confident | 8 Ų | 8 | 38 Ų | 38 | 4% | 0.041 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.1 | -45.2 | 177.6 | -62.3 | 178 | 0 | 0 | 0 | 109.9 | P191 I194 I227 L230 N232 L237 A238 A239 | P191-I235 HydrophobicContact CB-CD1 3.99Å; I194-I235 HydrophobicContact CB-CD1 4.43Å; I194-I235 HydrophobicContact CD1-CD1 4.46Å; I194-I235 HydrophobicContact CG2-CD1 4.26Å; I194-I235 HydrophobicContact CG2-CG1 4.42Å; I194-I235 HydrophobicContact CG2-CG2 3.8Å; I227-I235 HydrophobicContact CG2-CG2 3.65Å; L230-I235 HydrophobicContact CD1-CG2 4.27Å; N232-I235 HydrophobicContact CB-CB 4.15Å; N232-I235 HydrophobicContact CB-CD1 3.93Å; N232-I235 HydrophobicContact CB-CG1 4.08Å; N232-I235 PolarHBondContact O-N 2.86Å; I235-L237 VanDerWaalsContact C-N 3.3Å; I235-L237 PolarHBondContact O-N 3.13Å; I235-A238 PolarHBondContact O-N 3.44Å; I235-A239 WeakPolarHBondContact O-CB 3.46Å; I235-A239 PolarHBondContact O-N 2.76Å |
| 236 | A | 83.9 | Confident | 83.8 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.008 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.3 | -41.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | N232 A239 C240 Q295 | N232-A236 WeakPolarHBondContact O-CB 3.35Å; N232-A236 PolarHBondContact O-N 3.18Å; A236-A239 PolarHBondContact O-N 2.92Å; A236-C240 VanDerWaalsContact O-CB 3.26Å; A236-C240 WeakPolarHBondContact O-CB 3.37Å; A236-C240 PolarHBondContact O-N 3.48Å; A236-Q295 HydrophobicContact CB-CG 4.03Å |
| 237 | L | 83.8 | Confident | 83.6 | Confident | 59 Ų | 59 | 34.6 Ų | 34.6 | 31% | 0.309 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -66.9 | -41.1 | 175.8 | -174.1 | 68.3 | 0 | 0 | 0 | 112.4 | E233 I235 C240 N241 | E233-L237 WeakPolarHBondContact O-CB 3.33Å; E233-L237 PolarHBondContact O-N 3.31Å; I235-L237 VanDerWaalsContact C-N 3.3Å; I235-L237 PolarHBondContact O-N 3.13Å; L237-C240 WeakPolarHBondContact O-CB 3.07Å; L237-C240 PolarHBondContact O-N 2.99Å; L237-N241 PolarHBondContact O-N 3.3Å; L237-N241 PolarHBondContact O-ND2 3.35Å |
| 238 | A | 84.9 | Confident | 83.3 | Confident | 5 Ų | 5 | 35.9 Ų | 35.9 | 4% | 0.041 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.7 | -42.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L195 V198 R199 E234 I235 C240 N241 L242 | L195-A238 HydrophobicContact CD1-CB 3.71Å; V198-A238 HydrophobicContact CB-CB 4.29Å; V198-A238 HydrophobicContact CG1-CB 3.82Å; V198-A238 WeakPolarHBondContact CG1-O 3.43Å; R199-A238 HydrophobicContact CG-CB 4.4Å; E234-A238 WeakPolarHBondContact O-CB 3.44Å; E234-A238 PolarHBondContact O-N 3.28Å; I235-A238 PolarHBondContact O-N 3.44Å; A238-C240 VanDerWaalsContact C-N 3.33Å; A238-N241 PolarHBondContact O-N 3.42Å; A238-L242 PolarHBondContact O-N 3.45Å |
| 239 | A | 86.3 | Confident | 82.9 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.6 | -38.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I227 M228 I235 A236 L242 F243 | I227-A239 HydrophobicContact CG2-CB 4.19Å; M228-A239 HydrophobicContact CB-CB 3.97Å; I235-A239 WeakPolarHBondContact O-CB 3.46Å; I235-A239 PolarHBondContact O-N 2.76Å; A236-A239 PolarHBondContact O-N 2.92Å; A239-L242 WeakPolarHBondContact O-CB 3.29Å; A239-L242 PolarHBondContact O-N 3.24Å; A239-F243 WeakPolarHBondContact O-CD2 3.44Å; A239-F243 PolarHBondContact O-N 2.96Å |
| 240 | C | 84.8 | Confident | 82.5 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.7 | -46.8 | 171.8 | -179.1 | 0 | 0 | 0 | 0 | 111.7 | A236 L237 A238 L242 F243 Q244 Q295 L299 | A236-C240 VanDerWaalsContact O-CB 3.26Å; A236-C240 WeakPolarHBondContact O-CB 3.37Å; A236-C240 PolarHBondContact O-N 3.48Å; L237-C240 WeakPolarHBondContact O-CB 3.07Å; L237-C240 PolarHBondContact O-N 2.99Å; A238-C240 VanDerWaalsContact C-N 3.33Å; C240-L242 VanDerWaalsContact C-N 3.34Å; C240-L242 PolarHBondContact O-N 3.35Å; C240-F243 PolarHBondContact O-N 3.09Å; C240-Q244 PolarHBondContact O-N 3.08Å; C240-Q295 HydrophobicContact CB-CB 4.1Å; C240-Q295 HydrophobicContact CB-CG 4.37Å; C240-Q295 PolarHBondContact SG-OE1 3.1Å; C240-L299 VanDerWaalsContact SG-CG 3.59Å |
| 241 | N | 84.9 | Confident | 81.8 | Confident | 71 Ų | 71 | 34.4 Ų | 34.4 | 38% | 0.38 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.7 | -37.8 | 176.1 | -70.1 | -26.5 | 0 | 0 | 0 | 112.6 | L237 A238 Q244 C245 | L237-N241 PolarHBondContact O-N 3.3Å; L237-N241 PolarHBondContact O-ND2 3.35Å; A238-N241 PolarHBondContact O-N 3.42Å; N241-Q244 PolarHBondContact O-N 3.21Å; N241-C245 PolarHBondContact O-N 3.48Å; N241-C245 PolarHBondContact O-SG 2.76Å |
| 242 | L | 86.5 | Confident | 81.1 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.9 | -48.3 | 173.1 | 175.4 | 61.4 | 0 | 0 | 0 | 111.1 | V198 L201 M219 I224 A238 A239 C240 Q244 C245 I246 | V198-L242 HydrophobicContact CG1-CB 4.06Å; V198-L242 HydrophobicContact CG1-CD2 4.16Å; L201-L242 HydrophobicContact CB-CD1 3.94Å; L201-L242 HydrophobicContact CB-CD2 4.36Å; M219-L242 HydrophobicContact CE-CD2 4.5Å; M219-L242 HydrophobicContact SD-CD2 4.42Å; I224-L242 HydrophobicContact CD1-CD2 4.48Å; I224-L242 HydrophobicContact CG2-CD2 4.17Å; A238-L242 PolarHBondContact O-N 3.45Å; A239-L242 WeakPolarHBondContact O-CB 3.29Å; A239-L242 PolarHBondContact O-N 3.24Å; C240-L242 VanDerWaalsContact C-N 3.34Å; C240-L242 PolarHBondContact O-N 3.35Å; L242-Q244 VanDerWaalsContact C-N 3.3Å; L242-Q244 PolarHBondContact O-N 2.94Å; L242-C245 PolarHBondContact O-N 3.48Å; L242-I246 HydrophobicContact CD1-CD1 3.98Å; L242-I246 HydrophobicContact CD1-CG1 4.34Å; L242-I246 HydrophobicContact CG-CD1 3.93Å; L242-I246 WeakPolarHBondContact O-CD1 3.49Å; L242-I246 VanDerWaalsContact O-CG1 3.27Å; L242-I246 WeakPolarHBondContact O-CG1 3.43Å; L242-I246 PolarHBondContact O-N 3.11Å |
| 243 | F | 85.8 | Confident | 79.7 | Confident | 8 Ų | 8 | 29.5 Ų | 29.5 | 4% | 0.035 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.2 | -41 | 174.7 | -88.2 | -62.7 | 0 | 0 | 0 | 112.5 | I221 I224 M228 A239 C240 I246 N247 I275 L299 | I221-F243 HydrophobicContact CG2-CE1 4.37Å; I224-F243 HydrophobicContact CB-CE1 4.29Å; I224-F243 HydrophobicContact CB-CE2 3.85Å; I224-F243 HydrophobicContact CB-CZ 3.57Å; I224-F243 HydrophobicContact CG2-CD2 3.72Å; I224-F243 HydrophobicContact CG2-CE1 4.08Å; I224-F243 HydrophobicContact CG2-CE2 3.18Å; I224-F243 HydrophobicContact CG2-CG 4.37Å; I224-F243 HydrophobicContact CG2-CZ 3.39Å; M228-F243 HydrophobicContact CE-CD2 4.03Å; M228-F243 HydrophobicContact CE-CE2 3.71Å; M228-F243 HydrophobicContact SD-CD2 4.39Å; A239-F243 WeakPolarHBondContact O-CD2 3.44Å; A239-F243 PolarHBondContact O-N 2.96Å; C240-F243 PolarHBondContact O-N 3.09Å; F243-I246 PolarHBondContact O-N 3.36Å; F243-N247 WeakPolarHBondContact O-CB 3.17Å; F243-N247 PolarHBondContact O-N 3.42Å; F243-I275 HydrophobicContact CD1-CG2 4.19Å; F243-I275 HydrophobicContact CE1-CG2 4.21Å; F243-L299 HydrophobicContact CB-CD1 3.75Å; F243-L299 HydrophobicContact CB-CD2 3.94Å; F243-L299 HydrophobicContact CD2-CD1 3.95Å; F243-L299 HydrophobicContact CG-CD1 4.05Å |
| 244 | Q | 83.4 | Confident | 78.3 | Confident | 28 Ų | 28 | 27.4 Ų | 27.4 | 13% | 0.131 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.3 | -47.2 | 177.5 | -171.6 | 60.5 | 40.8 | 0 | 0 | 111.4 | C240 N241 L242 I246 N247 D248 L299 N303 | C240-Q244 PolarHBondContact O-N 3.08Å; N241-Q244 PolarHBondContact O-N 3.21Å; L242-Q244 VanDerWaalsContact C-N 3.3Å; L242-Q244 PolarHBondContact O-N 2.94Å; Q244-I246 VanDerWaalsContact C-N 3.33Å; Q244-I246 PolarHBondContact O-N 2.92Å; Q244-N247 PolarHBondContact O-N 3.13Å; Q244-D248 WeakPolarHBondContact CG-OD2 3.28Å; Q244-D248 PolarHBondContact NE2-OD1 2.65Å; Q244-D248 PolarHBondContact NE2-OD2 3.24Å; Q244-D248 WeakPolarHBondContact O-CB 3.35Å; Q244-D248 PolarHBondContact O-N 3.47Å; Q244-L299 HydrophobicContact CB-CD2 4.42Å; Q244-N303 PolarHBondContact NE2-OD1 3.37Å; Q244-N303 PolarHBondContact OE1-ND2 3.36Å; Q244-N303 PolarHBondContact OE1-OD1 3.4Å |
| 245 | C | 82.2 | Confident | 76.7 | Confident | 25 Ų | 25 | 28.6 Ų | 28.6 | 17% | 0.169 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.7 | -40.1 | 177.1 | -67.8 | 0 | 0 | 0 | 0 | 112.2 | S202 C205 T206 N241 L242 S249 | S202-C245 PolarHBondContact OG-SG 2.98Å; C205-C245 HydrophobicContact CB-CB 4.07Å; T206-C245 HydrophobicContact CG2-CB 4.48Å; N241-C245 PolarHBondContact O-N 3.48Å; N241-C245 PolarHBondContact O-SG 2.76Å; L242-C245 PolarHBondContact O-N 3.48Å; C245-S249 VanDerWaalsContact O-CB 3.26Å; C245-S249 WeakPolarHBondContact O-CB 3.23Å; C245-S249 PolarHBondContact O-N 3.4Å; C245-S249 PolarHBondContact O-OG 3.31Å |
| 246 | I | 83.3 | Confident | 75.1 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.3 | -49.5 | 174.1 | -69.9 | 163.3 | 0 | 0 | 0 | 109.7 | V216 I224 L242 F243 Q244 S249 L250 I275 | V216-I246 HydrophobicContact CG2-CD1 3.87Å; V216-I246 HydrophobicContact CG2-CG1 4.19Å; V216-I246 HydrophobicContact CG2-CG2 3.54Å; I224-I246 HydrophobicContact CD1-CD1 4.16Å; L242-I246 HydrophobicContact CD1-CD1 3.98Å; L242-I246 HydrophobicContact CD1-CG1 4.34Å; L242-I246 HydrophobicContact CG-CD1 3.93Å; L242-I246 WeakPolarHBondContact O-CD1 3.49Å; L242-I246 VanDerWaalsContact O-CG1 3.27Å; L242-I246 WeakPolarHBondContact O-CG1 3.43Å; L242-I246 PolarHBondContact O-N 3.11Å; F243-I246 PolarHBondContact O-N 3.36Å; Q244-I246 VanDerWaalsContact C-N 3.33Å; Q244-I246 PolarHBondContact O-N 2.92Å; I246-S249 PolarHBondContact O-N 3.03Å; I246-L250 HydrophobicContact CG2-CD1 3.71Å; I246-L250 HydrophobicContact CG2-CG 4.29Å; I246-L250 WeakPolarHBondContact O-CB 3.31Å; I246-L250 VanDerWaalsContact O-CG 3.24Å; I246-L250 WeakPolarHBondContact O-CG 3.41Å; I246-L250 PolarHBondContact O-N 2.87Å; I246-I275 HydrophobicContact CG2-CD1 4.29Å |
| 247 | N | 79.6 | Confident | 73.1 | Confident | 18 Ų | 18 | 42 Ų | 42 | 10% | 0.096 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.6 | -45.8 | -178.8 | -172.5 | 52.6 | 0 | 0 | 0 | 112.4 | F243 Q244 S249 L250 T251 L272 N303 | F243-N247 WeakPolarHBondContact O-CB 3.17Å; F243-N247 PolarHBondContact O-N 3.42Å; Q244-N247 PolarHBondContact O-N 3.13Å; N247-S249 VanDerWaalsContact C-N 3.28Å; N247-S249 PolarHBondContact O-N 3.09Å; N247-L250 PolarHBondContact O-N 3.17Å; N247-T251 WeakPolarHBondContact O-CB 3.33Å; N247-T251 VanDerWaalsContact O-CG2 3.23Å; N247-T251 WeakPolarHBondContact O-CG2 3.43Å; N247-T251 PolarHBondContact O-N 2.73Å; N247-T251 PolarHBondContact O-OG1 2.74Å; N247-L272 WeakPolarHBondContact OD1-CD2 3.43Å; N247-N303 VanDerWaalsContact ND2-CB 3.31Å; N247-N303 WeakPolarHBondContact ND2-CB 3.5Å; N247-N303 PolarHBondContact ND2-OD1 3.39Å |
| 248 | D | 78.8 | Confident | 71.4 | Confident | 35 Ų | 35 | 43 Ų | 43 | 19% | 0.187 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.7 | -37 | 178.4 | -73.7 | -39.8 | 0 | 0 | 0 | 111.4 | Q244 T251 G252 G253 K307 | Q244-D248 WeakPolarHBondContact CG-OD2 3.28Å; Q244-D248 PolarHBondContact NE2-OD1 2.65Å; Q244-D248 PolarHBondContact NE2-OD2 3.24Å; Q244-D248 WeakPolarHBondContact O-CB 3.35Å; Q244-D248 PolarHBondContact O-N 3.47Å; D248-T251 PolarHBondContact O-OG1 3.13Å; D248-G252 PolarHBondContact O-N 3.47Å; D248-G253 PolarHBondContact O-N 3.46Å; D248-K307 IonicContact OD1-NZ 3.38Å; D248-K307 PolarHBondContact OD1-NZ 3.16Å |
| 249 | S | 77 | Confident | 69.2 | Low | 5 Ų | 5 | 45.8 Ų | 45.8 | 4% | 0.035 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69 | -48.3 | 176.6 | -57.4 | 0 | 0 | 0 | 0 | 111.9 | C205 K209 C245 I246 N247 T251 G252 | C205-S249 PolarHBondContact O-OG 3.28Å; K209-S249 VanDerWaalsContact CE-O 3.27Å; K209-S249 WeakPolarHBondContact CE-O 3.49Å; K209-S249 WeakPolarHBondContact CG-O 3.5Å; C245-S249 VanDerWaalsContact O-CB 3.26Å; C245-S249 WeakPolarHBondContact O-CB 3.23Å; C245-S249 PolarHBondContact O-N 3.4Å; C245-S249 PolarHBondContact O-OG 3.31Å; I246-S249 PolarHBondContact O-N 3.03Å; N247-S249 VanDerWaalsContact C-N 3.28Å; N247-S249 PolarHBondContact O-N 3.09Å; S249-T251 VanDerWaalsContact C-N 3.31Å; S249-T251 PolarHBondContact O-N 2.88Å; S249-G252 PolarHBondContact O-N 3.36Å |
| 250 | L | 74.6 | Confident | 67.1 | Low | 13 Ų | 13 | 55.5 Ų | 55.5 | 7% | 0.068 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.6 | -34.5 | 179.1 | -68.6 | 176.6 | 0 | 0 | 0 | 112.6 | M213 I246 N247 A268 L272 | M213-L250 HydrophobicContact CE-CD2 4.36Å; I246-L250 HydrophobicContact CG2-CD1 3.71Å; I246-L250 HydrophobicContact CG2-CG 4.29Å; I246-L250 WeakPolarHBondContact O-CB 3.31Å; I246-L250 VanDerWaalsContact O-CG 3.24Å; I246-L250 WeakPolarHBondContact O-CG 3.41Å; I246-L250 PolarHBondContact O-N 2.87Å; N247-L250 PolarHBondContact O-N 3.17Å; L250-A268 HydrophobicContact CD2-CB 4.2Å; L250-L272 HydrophobicContact CB-CD1 4.5Å; L250-L272 HydrophobicContact CB-CD2 4.09Å; L250-L272 HydrophobicContact CB-CG 4.44Å; L250-L272 HydrophobicContact CD1-CD2 3.93Å; L250-L272 HydrophobicContact CD1-CG 4.37Å |
| 251 | T | 69.9 | Low | 65.1 | Low | 52 Ų | 52 | 64.1 Ų | 64.1 | 32% | 0.319 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -84.8 | -10.9 | 179.1 | 58.8 | 0 | 0 | 0 | 0 | 114.1 | N247 D248 S249 G253 L272 R316 | N247-T251 WeakPolarHBondContact O-CB 3.33Å; N247-T251 VanDerWaalsContact O-CG2 3.23Å; N247-T251 WeakPolarHBondContact O-CG2 3.43Å; N247-T251 PolarHBondContact O-N 2.73Å; N247-T251 PolarHBondContact O-OG1 2.74Å; D248-T251 PolarHBondContact O-OG1 3.13Å; S249-T251 VanDerWaalsContact C-N 3.31Å; S249-T251 PolarHBondContact O-N 2.88Å; T251-G253 VanDerWaalsContact C-N 3.32Å; T251-L272 HydrophobicContact CG2-CD1 3.87Å; T251-L272 HydrophobicContact CG2-CD2 4.41Å; T251-R316 VanDerWaalsContact CG2-NH2 3.3Å |
| 252 | G | 63.8 | Low | 63.2 | Low | 43 Ų | 43 | 64.5 Ų | 64.5 | 44% | 0.443 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 25.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D248 S249 D254 | D248-G252 PolarHBondContact O-N 3.47Å; S249-G252 PolarHBondContact O-N 3.36Å; G252-D254 VanDerWaalsContact C-N 3.26Å; G252-D254 PolarHBondContact O-N 2.69Å |
| 253 | G | 53.4 | Low | 61.2 | Low | 43 Ų | 43 | 69.3 Ų | 69.3 | 44% | 0.443 | 40% | 0.402 | S | S | . | . | trans | -76 | -8.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | D248 T251 | D248-G253 PolarHBondContact O-N 3.46Å; T251-G253 VanDerWaalsContact C-N 3.32Å | ||
| 254 | D | 51.1 | Low | 59.4 | Low | 43 Ų | 43 | 76.6 Ų | 76.6 | 23% | 0.23 | 44% | 0.441 | C | S | . | . | trans | -89.7 | 115.2 | 174.6 | -155.4 | -20.4 | 0 | 0 | 0 | 109.7 | G207 G252 R256 | G207-D254 PolarHBondContact N-OD2 3.36Å; G252-D254 VanDerWaalsContact C-N 3.26Å; G252-D254 PolarHBondContact O-N 2.69Å; D254-R256 PolarHBondContact O-N 3.18Å; D254-R256 WeakPolarHBondContact OD1-CG 3.4Å; D254-R256 IonicContact OD1-CZ 3.48Å; D254-R256 PolarHBondContact OD1-N 3.33Å; D254-R256 IonicContact OD1-NE 2.72Å; D254-R256 PolarHBondContact OD1-NE 2.88Å; D254-R256 IonicContact OD1-NH2 2.79Å; D254-R256 IonicContact OD2-CZ 3.56Å; D254-R256 IonicContact OD2-NE 3.63Å; D254-R256 PolarHBondContact OD2-NE 3Å; D254-R256 IonicContact OD2-NH2 3.41Å; D254-R256 PolarHBondContact OD2-NH2 2.95Å | ||
| 255 | T | 47.7 | Very low | 57.9 | Low | 139 Ų | 139 | 77.9 Ų | 77.9 | 85% | 0.853 | 45% | 0.451 | S | S | * | . | trans | -78.9 | 7.6 | -178.4 | 57.3 | 0 | 0 | 0 | 0 | 113.2 | D257 | T255-D257 PolarHBondContact O-N 3.33Š| ||
| 256 | R | 51.6 | Low | 56.7 | Low | 123 Ų | 123 | 83.7 Ų | 83.7 | 46% | 0.464 | 48% | 0.479 | S | S | . | . | trans | -84.6 | 100.7 | 178.4 | -69.1 | 179.5 | -81 | 179.4 | -0.2 | 109 | D254 Y258 | D254-R256 PolarHBondContact O-N 3.18Å; D254-R256 WeakPolarHBondContact OD1-CG 3.4Å; D254-R256 IonicContact OD1-CZ 3.48Å; D254-R256 PolarHBondContact OD1-N 3.33Å; D254-R256 IonicContact OD1-NE 2.72Å; D254-R256 PolarHBondContact OD1-NE 2.88Å; D254-R256 IonicContact OD1-NH2 2.79Å; D254-R256 IonicContact OD2-CZ 3.56Å; D254-R256 IonicContact OD2-NE 3.63Å; D254-R256 PolarHBondContact OD2-NE 3Å; D254-R256 IonicContact OD2-NH2 3.41Å; D254-R256 PolarHBondContact OD2-NH2 2.95Å; R256-Y258 HydrophobicContact CB-CD2 4.11Å; R256-Y258 HydrophobicContact CB-CE2 3.5Å; R256-Y258 VanDerWaalsContact CB-CE2 3.5Å; R256-Y258 VanDerWaalsContact O-CD2 3.31Å; R256-Y258 WeakPolarHBondContact O-CD2 3.08Å; R256-Y258 PolarHBondContact O-N 3.17Å | ||
| 257 | D | 40.7 | Very low | 55.5 | Low | 167 Ų | 167 | 89.6 Ų | 89.6 | 89% | 0.893 | 51% | 0.511 | S | S | * | . | trans | -69.7 | 106.6 | 174.6 | -99.7 | -24.6 | 0 | 0 | 0 | 110.4 | T255 | T255-D257 PolarHBondContact O-N 3.33Š| ||
| 258 | Y | 48.8 | Very low | 54.8 | Low | 81 Ų | 81 | 89.6 Ų | 89.6 | 32% | 0.318 | 51% | 0.513 | S | S | . | . | trans | -105.6 | 83.2 | 169.3 | -65.5 | -80.2 | 0 | 0 | 0 | 109.8 | D167 H208 R256 | D167-Y258 HydrophobicContact CB-CD1 4.08Å; D167-Y258 HydrophobicContact CB-CE1 3.79Å; D167-Y258 VanDerWaalsContact OD2-CD1 3.22Å; D167-Y258 WeakPolarHBondContact OD2-CD1 3.49Å; H208-Y258 AromaticContact CD2-CD2 3.95Å; H208-Y258 VanDerWaalsContact NE2-CB 3.28Å; H208-Y258 WeakPolarHBondContact NE2-CB 3.44Å; H208-Y258 AromaticContact NE2-CD1 3.95Å; H208-Y258 AromaticContact NE2-CD2 3.72Å; H208-Y258 AromaticContact NE2-CG 3.39Å; R256-Y258 HydrophobicContact CB-CD2 4.11Å; R256-Y258 HydrophobicContact CB-CE2 3.5Å; R256-Y258 VanDerWaalsContact CB-CE2 3.5Å; R256-Y258 VanDerWaalsContact O-CD2 3.31Å; R256-Y258 WeakPolarHBondContact O-CD2 3.08Å; R256-Y258 PolarHBondContact O-N 3.17Å | ||
| 259 | G | 39.7 | Very low | 54.3 | Low | 63 Ų | 63 | 90.6 Ų | 90.6 | 65% | 0.649 | 52% | 0.523 | S | S | * | . | trans | 64.8 | 171.5 | 160.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | E261 | G259-E261 VanDerWaalsContact C-N 3.3Å; G259-E261 PolarHBondContact O-N 3.22Å | ||
| 260 | K | 42.3 | Very low | 54.2 | Low | 205 Ų | 205 | 97.6 Ų | 97.6 | 89% | 0.891 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | 12.6 | -168.1 | -70 | -178.6 | 176.6 | 178.8 | 0 | 115.5 | A262 | K260-A262 VanDerWaalsContact C-N 3.31Å; K260-A262 PolarHBondContact O-N 3.37Å |
| 261 | E | 42.7 | Very low | 54.2 | Low | 183 Ų | 183 | 98.9 Ų | 98.9 | 86% | 0.855 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | 1.1 | -178 | -68.5 | -173.1 | 164.9 | 0 | 0 | 113.8 | G259 S263 | G259-E261 VanDerWaalsContact C-N 3.3Å; G259-E261 PolarHBondContact O-N 3.22Å; E261-S263 PolarHBondContact O-N 2.95Å |
| 262 | A | 44.9 | Very low | 54.5 | Low | 78 Ų | 78 | 97 Ų | 97 | 65% | 0.645 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | 3.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | K260 | K260-A262 VanDerWaalsContact C-N 3.31Å; K260-A262 PolarHBondContact O-N 3.37Å |
| 263 | S | 42.9 | Very low | 55.2 | Low | 103 Ų | 103 | 100.5 Ų | 100.5 | 72% | 0.72 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -1.3 | -166.5 | 53.9 | 0 | 0 | 0 | 0 | 116.2 | E261 | E261-S263 PolarHBondContact O-N 2.95Š|
| 264 | L | 49.4 | Very low | 56.6 | Low | 161 Ų | 161 | 101.4 Ų | 101.4 | 84% | 0.843 | 55% | 0.548 | S | S | * | . | trans | -125.7 | 77.3 | 177.2 | -84.4 | 155.1 | 0 | 0 | 0 | 110.7 | ||||
| 265 | V | 51 | Low | 58.2 | Low | 55 Ų | 55 | 100 Ų | 100 | 33% | 0.333 | 54% | 0.54 | S | S | . | . | trans | -131.2 | 121.2 | 172.1 | -172.7 | 0 | 0 | 0 | 0 | 110 | K209 M213 | K209-V265 HydrophobicContact CB-CG2 4.05Å; M213-V265 HydrophobicContact CE-CG1 3.41Å; M213-V265 VanDerWaalsContact CE-CG1 3.41Å; M213-V265 HydrophobicContact SD-CG1 4.33Å | ||
| 266 | L | 57.1 | Low | 59.9 | Low | 147 Ų | 147 | 94 Ų | 94 | 77% | 0.77 | 50% | 0.503 | S | S | * | . | trans | -60.4 | 163.7 | 170.1 | -82.1 | 146.8 | 0 | 0 | 0 | 111.6 | A268 | L266-A268 PolarHBondContact O-N 3.5Š| ||
| 267 | D | 59.3 | Low | 61.5 | Low | 125 Ų | 125 | 91.3 Ų | 91.3 | 67% | 0.668 | 50% | 0.497 | S | S | * | . | trans | -58.9 | 88.9 | -172.1 | -155.7 | -15.5 | 0 | 0 | 0 | 113.7 | S269 | D267-S269 PolarHBondContact O-N 3.44Å; D267-S269 PolarHBondContact OD1-OG 3.48Å | ||
| 268 | A | 64.7 | Low | 63.6 | Low | 17 Ų | 17 | 84 Ų | 84 | 14% | 0.14 | 46% | 0.46 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -8.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | M213 L250 L266 K270 L272 | M213-A268 HydrophobicContact CE-CB 4.46Å; L250-A268 HydrophobicContact CD2-CB 4.2Å; L266-A268 PolarHBondContact O-N 3.5Å; A268-K270 VanDerWaalsContact C-N 3.31Å; A268-K270 PolarHBondContact O-N 3.18Å; A268-L272 VanDerWaalsContact O-CG 3.29Å; A268-L272 WeakPolarHBondContact O-CG 3.4Å; A268-L272 PolarHBondContact O-N 3.35Å |
| 269 | S | 67.4 | Low | 65.4 | Low | 56 Ų | 56 | 80.4 Ų | 80.4 | 39% | 0.392 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.7 | -31.5 | -178.7 | 66.4 | 0 | 0 | 0 | 0 | 113.2 | D267 K273 | D267-S269 PolarHBondContact O-N 3.44Å; D267-S269 PolarHBondContact OD1-OG 3.48Å; S269-K273 WeakPolarHBondContact O-CG 3.5Å; S269-K273 PolarHBondContact O-N 3.45Å |
| 270 | K | 75.9 | Confident | 67.6 | Low | 153 Ų | 153 | 77.4 Ų | 77.4 | 67% | 0.665 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -70.6 | -47.4 | 179.4 | -171.2 | -179.6 | 178.7 | -175.2 | 0 | 111.5 | A268 L272 K273 T274 | A268-K270 VanDerWaalsContact C-N 3.31Å; A268-K270 PolarHBondContact O-N 3.18Å; K270-L272 VanDerWaalsContact C-N 3.32Å; K270-L272 PolarHBondContact O-N 2.89Å; K270-K273 PolarHBondContact O-N 3.19Å; K270-K273 VanDerWaalsContact O-N 3.17Å; K270-T274 PolarHBondContact O-N 3.46Å; K270-T274 PolarHBondContact O-OG1 3.49Å; K270-T274 VanDerWaalsContact O-OG1 3.05Å |
| 271 | D | 73.4 | Confident | 69.8 | Low | 40 Ų | 40 | 73.4 Ų | 73.4 | 21% | 0.214 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.9 | -38.4 | -178.9 | -59.8 | -35.2 | 0 | 0 | 0 | 111.4 | K273 T274 I275 | D271-K273 VanDerWaalsContact C-N 3.35Å; D271-K273 PolarHBondContact O-N 3.02Å; D271-T274 WeakPolarHBondContact O-CB 3.47Å; D271-T274 PolarHBondContact O-N 3.16Å; D271-I275 VanDerWaalsContact O-CG1 3.27Å; D271-I275 WeakPolarHBondContact O-CG1 3.17Å; D271-I275 PolarHBondContact O-N 3.03Å |
| 272 | L | 76.2 | Confident | 71.8 | Confident | 12 Ų | 12 | 65.1 Ų | 65.1 | 6% | 0.063 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.2 | -40 | 174 | -70.3 | 174.6 | 0 | 0 | 0 | 112.8 | N247 L250 T251 A268 K270 I275 L276 | N247-L272 WeakPolarHBondContact OD1-CD2 3.43Å; L250-L272 HydrophobicContact CB-CD1 4.5Å; L250-L272 HydrophobicContact CB-CD2 4.09Å; L250-L272 HydrophobicContact CB-CG 4.44Å; L250-L272 HydrophobicContact CD1-CD2 3.93Å; L250-L272 HydrophobicContact CD1-CG 4.37Å; T251-L272 HydrophobicContact CG2-CD1 3.87Å; T251-L272 HydrophobicContact CG2-CD2 4.41Å; A268-L272 VanDerWaalsContact O-CG 3.29Å; A268-L272 WeakPolarHBondContact O-CG 3.4Å; A268-L272 PolarHBondContact O-N 3.35Å; K270-L272 VanDerWaalsContact C-N 3.32Å; K270-L272 PolarHBondContact O-N 2.89Å; L272-I275 PolarHBondContact O-N 3.49Å; L272-L276 WeakPolarHBondContact O-CG 3.49Å; L272-L276 PolarHBondContact O-N 3.26Å |
| 273 | K | 79.9 | Confident | 73.7 | Confident | 116 Ų | 116 | 61.4 Ų | 61.4 | 50% | 0.504 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.8 | -40.1 | 174.7 | -73.8 | 177.3 | -179.5 | 177.2 | 0 | 111.7 | S269 K270 D271 L276 L277 | S269-K273 WeakPolarHBondContact O-CG 3.5Å; S269-K273 PolarHBondContact O-N 3.45Å; K270-K273 PolarHBondContact O-N 3.19Å; K270-K273 VanDerWaalsContact O-N 3.17Å; D271-K273 VanDerWaalsContact C-N 3.35Å; D271-K273 PolarHBondContact O-N 3.02Å; K273-L276 PolarHBondContact O-N 3.24Å; K273-L277 PolarHBondContact O-N 3.39Å |
| 274 | T | 82.5 | Confident | 75.7 | Confident | 63 Ų | 63 | 57.9 Ų | 57.9 | 39% | 0.387 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 175.6 | -49.7 | 0 | 0 | 0 | 0 | 111.4 | I221 K270 D271 L276 L277 A278 | I221-T274 HydrophobicContact CD1-CG2 3.7Å; K270-T274 PolarHBondContact O-N 3.46Å; K270-T274 PolarHBondContact O-OG1 3.49Å; K270-T274 VanDerWaalsContact O-OG1 3.05Å; D271-T274 WeakPolarHBondContact O-CB 3.47Å; D271-T274 PolarHBondContact O-N 3.16Å; T274-L276 PolarHBondContact O-N 2.93Å; T274-L277 PolarHBondContact O-N 2.94Å; T274-A278 WeakPolarHBondContact O-CB 3.44Å; T274-A278 PolarHBondContact O-N 3.41Å |
| 275 | I | 83.3 | Confident | 77.5 | Confident | 13 Ų | 13 | 53.9 Ų | 53.9 | 7% | 0.067 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.2 | -46 | 175.3 | -67.9 | 166.1 | 0 | 0 | 0 | 110.5 | I221 F243 I246 D271 L272 L277 A278 L279 | I221-I275 HydrophobicContact CD1-CG1 3.61Å; I221-I275 HydrophobicContact CG1-CG1 4Å; I221-I275 HydrophobicContact CG2-CG1 4.34Å; F243-I275 HydrophobicContact CD1-CG2 4.19Å; F243-I275 HydrophobicContact CE1-CG2 4.21Å; I246-I275 HydrophobicContact CG2-CD1 4.29Å; D271-I275 VanDerWaalsContact O-CG1 3.27Å; D271-I275 WeakPolarHBondContact O-CG1 3.17Å; D271-I275 PolarHBondContact O-N 3.03Å; L272-I275 PolarHBondContact O-N 3.49Å; I275-L277 PolarHBondContact O-N 3.35Å; I275-A278 PolarHBondContact O-N 3.44Å; I275-L279 HydrophobicContact CG2-CD1 4.06Å; I275-L279 HydrophobicContact CG2-CG 4.44Å; I275-L279 VanDerWaalsContact O-CG 3.32Å; I275-L279 WeakPolarHBondContact O-CG 3.42Å; I275-L279 PolarHBondContact O-N 3.27Å |
| 276 | L | 83.5 | Confident | 79 | Confident | 14 Ų | 14 | 57 Ų | 57 | 7% | 0.073 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 178.1 | -72.7 | 172 | 0 | 0 | 0 | 112.3 | L272 K273 T274 L279 L280 L300 V304 R316 F319 | L272-L276 WeakPolarHBondContact O-CG 3.49Å; L272-L276 PolarHBondContact O-N 3.26Å; K273-L276 PolarHBondContact O-N 3.24Å; T274-L276 PolarHBondContact O-N 2.93Å; L276-L279 PolarHBondContact O-N 3.33Å; L276-L280 WeakPolarHBondContact O-CB 3.46Å; L276-L280 VanDerWaalsContact O-CG 3.3Å; L276-L280 WeakPolarHBondContact O-CG 3.22Å; L276-L280 PolarHBondContact O-N 3.34Å; L276-L300 HydrophobicContact CD2-CD2 3.8Å; L276-V304 HydrophobicContact CD2-CG2 3.73Å; L276-R316 HydrophobicContact CD1-CB 4.32Å; L276-R316 HydrophobicContact CD1-CG 4.24Å; L276-F319 HydrophobicContact CB-CE1 4.48Å |
| 277 | L | 85.8 | Confident | 80.2 | Confident | 65 Ų | 65 | 58.9 Ų | 58.9 | 34% | 0.34 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.3 | -46.7 | 176 | -76.4 | 173.1 | 0 | 0 | 0 | 111.9 | K273 T274 I275 L279 L280 E281 F319 | K273-L277 PolarHBondContact O-N 3.39Å; T274-L277 PolarHBondContact O-N 2.94Å; I275-L277 PolarHBondContact O-N 3.35Å; L277-L279 VanDerWaalsContact C-N 3.34Å; L277-L279 PolarHBondContact O-N 2.91Å; L277-L280 PolarHBondContact O-N 3.42Å; L277-L280 VanDerWaalsContact O-N 3.16Å; L277-E281 WeakPolarHBondContact O-CG 3.44Å; L277-E281 PolarHBondContact O-N 3.29Å; L277-F319 HydrophobicContact CD1-CZ 4.05Å; L277-F319 HydrophobicContact CD2-CE1 3.85Å; L277-F319 HydrophobicContact CD2-CZ 3.61Å; L277-F319 HydrophobicContact CG-CE1 3.87Å; L277-F319 HydrophobicContact CG-CZ 3.7Å |
| 278 | A | 85.3 | Confident | 81.4 | Confident | 14 Ų | 14 | 53.2 Ų | 53.2 | 12% | 0.116 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.8 | -43.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I221 T274 I275 L280 E281 M282 | I221-A278 HydrophobicContact CG2-CB 3.75Å; T274-A278 WeakPolarHBondContact O-CB 3.44Å; T274-A278 PolarHBondContact O-N 3.41Å; I275-A278 PolarHBondContact O-N 3.44Å; A278-L280 PolarHBondContact O-N 3.46Å; A278-E281 PolarHBondContact O-N 3.25Å; A278-M282 WeakPolarHBondContact O-CB 3.41Å; A278-M282 PolarHBondContact O-N 3.47Å |
| 279 | L | 86.1 | Confident | 82.5 | Confident | 6 Ų | 6 | 52.9 Ų | 52.9 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 175 | -69.4 | 174.6 | 0 | 0 | 0 | 112 | M228 I275 L276 L277 M282 I283 L299 L300 | M228-L279 HydrophobicContact CE-CD2 3.58Å; I275-L279 HydrophobicContact CG2-CD1 4.06Å; I275-L279 HydrophobicContact CG2-CG 4.44Å; I275-L279 VanDerWaalsContact O-CG 3.32Å; I275-L279 WeakPolarHBondContact O-CG 3.42Å; I275-L279 PolarHBondContact O-N 3.27Å; L276-L279 PolarHBondContact O-N 3.33Å; L277-L279 VanDerWaalsContact C-N 3.34Å; L277-L279 PolarHBondContact O-N 2.91Å; L279-M282 WeakPolarHBondContact O-CB 3.32Å; L279-M282 PolarHBondContact O-N 2.96Å; L279-I283 WeakPolarHBondContact O-CG1 3.37Å; L279-I283 PolarHBondContact O-N 3.31Å; L279-L299 HydrophobicContact CD1-CB 4.13Å; L279-L299 HydrophobicContact CD1-CD1 4.36Å; L279-L299 HydrophobicContact CD2-CD1 3.88Å; L279-L300 HydrophobicContact CB-CD2 4.23Å; L279-L300 HydrophobicContact CB-CG 4.46Å; L279-L300 HydrophobicContact CD1-CD2 4.31Å |
| 280 | L | 86.6 | Confident | 83.2 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.4 | -34.9 | 177.7 | -74 | 174.6 | 0 | 0 | 0 | 113.2 | L276 L277 A278 I283 L300 T320 K327 I328 | L276-L280 WeakPolarHBondContact O-CB 3.46Å; L276-L280 VanDerWaalsContact O-CG 3.3Å; L276-L280 WeakPolarHBondContact O-CG 3.22Å; L276-L280 PolarHBondContact O-N 3.34Å; L277-L280 PolarHBondContact O-N 3.42Å; L277-L280 VanDerWaalsContact O-N 3.16Å; A278-L280 PolarHBondContact O-N 3.46Å; L280-I283 HydrophobicContact CD2-CD1 4.12Å; L280-L300 HydrophobicContact CD2-CD1 3.84Å; L280-T320 HydrophobicContact CD1-CG2 4.42Å; L280-T320 HydrophobicContact CD2-CG2 4.18Å; L280-K327 WeakPolarHBondContact O-CD 3.3Å; L280-I328 HydrophobicContact CD2-CD1 4.47Å |
| 281 | E | 87.4 | Confident | 83.6 | Confident | 120 Ų | 120 | 46.2 Ų | 46.2 | 56% | 0.561 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -69.4 | -38.7 | 173.8 | -72.8 | -175.3 | 175.6 | 0 | 0 | 112.1 | L277 A278 I283 S284 N285 | L277-E281 WeakPolarHBondContact O-CG 3.44Å; L277-E281 PolarHBondContact O-N 3.29Å; A278-E281 PolarHBondContact O-N 3.25Å; E281-I283 VanDerWaalsContact C-N 3.26Å; E281-I283 PolarHBondContact O-N 3.18Å; E281-S284 PolarHBondContact O-N 3.08Å; E281-N285 PolarHBondContact O-N 3.15Å |
| 282 | M | 85.2 | Confident | 84.1 | Confident | 10 Ų | 10 | 44.3 Ų | 44.3 | 5% | 0.049 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.6 | -35.7 | 179.3 | -159.1 | 179.3 | 69.6 | 0 | 0 | 112.5 | C225 M228 A278 L279 S284 N285 V288 G292 A296 | C225-M282 HydrophobicContact CB-SD 4.18Å; M228-M282 HydrophobicContact CE-CE 3.15Å; M228-M282 HydrophobicContact CE-SD 3.66Å; M228-M282 HydrophobicContact CG-CE 4.17Å; M228-M282 HydrophobicContact SD-CE 4.08Å; A278-M282 WeakPolarHBondContact O-CB 3.41Å; A278-M282 PolarHBondContact O-N 3.47Å; L279-M282 WeakPolarHBondContact O-CB 3.32Å; L279-M282 PolarHBondContact O-N 2.96Å; M282-S284 VanDerWaalsContact C-N 3.28Å; M282-S284 PolarHBondContact O-N 2.92Å; M282-N285 PolarHBondContact O-N 3.01Å; M282-V288 HydrophobicContact CE-CG1 4.47Å; M282-V288 HydrophobicContact CG-CB 4.3Å; M282-V288 HydrophobicContact CG-CG1 3.86Å; M282-V288 HydrophobicContact CG-CG2 3.44Å; M282-V288 VanDerWaalsContact CG-CG2 3.44Å; M282-V288 WeakPolarHBondContact O-CG2 3.34Å; M282-V288 HydrophobicContact SD-CG1 4.27Å; M282-G292 WeakPolarHBondContact CE-O 3.42Å; M282-A296 HydrophobicContact CE-CB 3.17Å |
| 283 | I | 85.6 | Confident | 84.7 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.7 | -38.9 | 178 | -69 | 162.5 | 0 | 0 | 0 | 112.2 | L279 L280 E281 A296 L297 L300 I328 V331 | L279-I283 WeakPolarHBondContact O-CG1 3.37Å; L279-I283 PolarHBondContact O-N 3.31Å; L280-I283 HydrophobicContact CD2-CD1 4.12Å; E281-I283 VanDerWaalsContact C-N 3.26Å; E281-I283 PolarHBondContact O-N 3.18Å; I283-A296 HydrophobicContact CG1-CB 4.12Å; I283-L297 HydrophobicContact CD1-CD2 3.89Å; I283-L297 HydrophobicContact CG1-CD2 4.18Å; I283-L297 HydrophobicContact CG2-CD2 4.44Å; I283-L300 HydrophobicContact CD1-CD1 3.34Å; I283-I328 HydrophobicContact CD1-CG1 4.46Å; I283-V331 HydrophobicContact CG2-CB 4.13Å; I283-V331 HydrophobicContact CG2-CG2 3.37Å; I283-V331 WeakPolarHBondContact O-CG2 3.49Å |
| 284 | S | 84.6 | Confident | 85 | Confident | 29 Ų | 29 | 38.6 Ų | 38.6 | 20% | 0.203 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -94.6 | -10 | -175.1 | -68.6 | 0 | 0 | 0 | 0 | 114.7 | E281 M282 K327 | E281-S284 PolarHBondContact O-N 3.08Å; M282-S284 VanDerWaalsContact C-N 3.28Å; M282-S284 PolarHBondContact O-N 2.92Å; S284-K327 WeakPolarHBondContact OG-CB 3.43Å; S284-K327 WeakPolarHBondContact OG-CG 3.34Å |
| 285 | N | 86.3 | Confident | 85.1 | Confident | 76 Ų | 76 | 36.2 Ų | 36.2 | 41% | 0.406 | 18% | 0.179 | S | C | . | . | trans | -78.5 | 132 | -174.9 | -174.5 | -14.5 | 0 | 0 | 0 | 110.9 | E281 M282 K287 V288 R293 | E281-N285 PolarHBondContact O-N 3.15Å; M282-N285 PolarHBondContact O-N 3.01Å; N285-K287 VanDerWaalsContact C-N 3.3Å; N285-K287 PolarHBondContact O-N 3.23Å; N285-K287 PolarHBondContact OD1-N 3.01Å; N285-V288 HydrophobicContact CB-CG2 4Å; N285-R293 PolarHBondContact O-NH2 2.9Å | ||
| 286 | K | 82.7 | Confident | 85.3 | Confident | 120 Ų | 120 | 35.6 Ų | 35.6 | 52% | 0.522 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -25.8 | 179.3 | -67.5 | -171.5 | 177.1 | -168.5 | 0 | 113.7 | V288 R293 D340 L342 | K286-V288 VanDerWaalsContact C-N 3.28Å; K286-V288 PolarHBondContact O-N 2.76Å; K286-R293 PolarHBondContact O-NH2 3.42Å; K286-D340 IonicContact NZ-OD1 2.81Å; K286-D340 PolarHBondContact NZ-OD1 3.03Å; K286-D340 IonicContact NZ-OD2 2.95Å; K286-L342 HydrophobicContact CB-CD2 4.36Å; K286-L342 HydrophobicContact CG-CD2 3.79Å |
| 287 | K | 82.5 | Confident | 85.4 | Confident | 187 Ų | 187 | 35 Ų | 35 | 81% | 0.813 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73 | -15.3 | -175 | -65.5 | -174.2 | 178.9 | -177.5 | 0 | 115 | N285 | N285-K287 VanDerWaalsContact C-N 3.3Å; N285-K287 PolarHBondContact O-N 3.23Å; N285-K287 PolarHBondContact OD1-N 3.01Å |
| 288 | V | 85 | Confident | 85.3 | Confident | 6 Ų | 6 | 32.1 Ų | 32.1 | 4% | 0.036 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -80.1 | 143 | -174.7 | -175 | 0 | 0 | 0 | 0 | 109.4 | A229 M282 N285 K286 R293 | A229-V288 HydrophobicContact CB-CB 4.39Å; A229-V288 HydrophobicContact CB-CG1 4.14Å; A229-V288 HydrophobicContact CB-CG2 4.24Å; M282-V288 HydrophobicContact CE-CG1 4.47Å; M282-V288 HydrophobicContact CG-CB 4.3Å; M282-V288 HydrophobicContact CG-CG1 3.86Å; M282-V288 HydrophobicContact CG-CG2 3.44Å; M282-V288 VanDerWaalsContact CG-CG2 3.44Å; M282-V288 WeakPolarHBondContact O-CG2 3.34Å; M282-V288 HydrophobicContact SD-CG1 4.27Å; N285-V288 HydrophobicContact CB-CG2 4Å; K286-V288 VanDerWaalsContact C-N 3.28Å; K286-V288 PolarHBondContact O-N 2.76Å; V288-R293 HydrophobicContact CB-CG 4.2Å; V288-R293 HydrophobicContact CG1-CG 3.81Å; V288-R293 PolarHBondContact O-NH1 2.97Å; V288-R293 PolarHBondContact O-NH2 2.91Å |
| 289 | S | 87.2 | Confident | 85.2 | Confident | 10 Ų | 10 | 31.5 Ų | 31.5 | 7% | 0.07 | 15% | 0.152 | C | C | . | . | trans | -67.7 | 161 | 171.3 | 67.5 | 0 | 0 | 0 | 0 | 111.8 | A229 L230 H291 G292 R293 | A229-S289 WeakPolarHBondContact O-CB 3.38Å; A229-S289 PolarHBondContact O-N 3.29Å; A229-S289 VanDerWaalsContact O-N 3.11Å; A229-S289 PolarHBondContact O-OG 3.02Å; L230-S289 PolarHBondContact O-OG 3.48Å; S289-H291 VanDerWaalsContact C-N 3.3Å; S289-H291 PolarHBondContact O-N 2.98Å; S289-G292 PolarHBondContact O-N 3.24Å; S289-G292 PolarHBondContact OG-N 3.18Å; S289-R293 PolarHBondContact O-N 3.18Å; S289-R293 VanDerWaalsContact O-N 3.12Å; S289-R293 PolarHBondContact O-NH1 3.27Å | ||
| 290 | G | 83.3 | Confident | 85.2 | Confident | 7 Ų | 7 | 31.2 Ų | 31.2 | 7% | 0.072 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.7 | -43.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | G292 R293 D294 P343 T345 | G290-G292 PolarHBondContact O-N 3.24Å; G290-R293 PolarHBondContact O-N 3.11Å; G290-D294 PolarHBondContact O-N 3.28Å; G290-P343 VanDerWaalsContact CA-O 3.29Å; G290-P343 WeakPolarHBondContact CA-O 3.21Å; G290-T345 VanDerWaalsContact C-CG2 3.49Å |
| 291 | H | 83.1 | Confident | 85 | Confident | 62 Ų | 62 | 31.4 Ų | 31.4 | 29% | 0.287 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -61.3 | -42.2 | 176.6 | -63 | -63.7 | 0 | 0 | 0 | 112.7 | D231 S289 R293 D294 Q295 | D231-H291 IonicContact OD1-CD2 3.8Å; S289-H291 VanDerWaalsContact C-N 3.3Å; S289-H291 PolarHBondContact O-N 2.98Å; H291-R293 VanDerWaalsContact C-N 3.34Å; H291-R293 PolarHBondContact O-N 3.5Å; H291-D294 PolarHBondContact O-N 3.48Å; H291-Q295 WeakPolarHBondContact O-CG 3.44Å; H291-Q295 PolarHBondContact O-N 3.03Å |
| 292 | G | 84.8 | Confident | 84.5 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.2 | -39.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | M228 M282 S289 G290 Q295 A296 | M228-G292 WeakPolarHBondContact O-CA 3.43Å; M282-G292 WeakPolarHBondContact CE-O 3.42Å; S289-G292 PolarHBondContact O-N 3.24Å; S289-G292 PolarHBondContact OG-N 3.18Å; G290-G292 PolarHBondContact O-N 3.24Å; G292-Q295 PolarHBondContact O-N 2.86Å; G292-A296 PolarHBondContact O-N 3.47Å |
| 293 | R | 88.3 | Confident | 84.1 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65 | -44.5 | 175.1 | -71.4 | -172.2 | -169.3 | 77.7 | 10.9 | 112.3 | N285 K286 V288 S289 G290 H291 Q295 A296 L297 P343 | N285-R293 PolarHBondContact O-NH2 2.9Å; K286-R293 PolarHBondContact O-NH2 3.42Å; V288-R293 HydrophobicContact CB-CG 4.2Å; V288-R293 HydrophobicContact CG1-CG 3.81Å; V288-R293 PolarHBondContact O-NH1 2.97Å; V288-R293 PolarHBondContact O-NH2 2.91Å; S289-R293 PolarHBondContact O-N 3.18Å; S289-R293 VanDerWaalsContact O-N 3.12Å; S289-R293 PolarHBondContact O-NH1 3.27Å; G290-R293 PolarHBondContact O-N 3.11Å; H291-R293 VanDerWaalsContact C-N 3.34Å; H291-R293 PolarHBondContact O-N 3.5Å; R293-Q295 VanDerWaalsContact C-N 3.3Å; R293-Q295 PolarHBondContact O-N 3.16Å; R293-A296 VanDerWaalsContact O-CB 3.25Å; R293-A296 WeakPolarHBondContact O-CB 3.36Å; R293-A296 PolarHBondContact O-N 2.95Å; R293-A296 VanDerWaalsContact O-N 3.16Å; R293-L297 WeakPolarHBondContact O-CG 3.2Å; R293-L297 PolarHBondContact O-N 2.78Å; R293-P343 VanDerWaalsContact NH1-CB 3.28Å; R293-P343 PolarHBondContact NH1-O 3.26Å |
| 294 | D | 85.4 | Confident | 83.5 | Confident | 8 Ų | 8 | 30 Ų | 30 | 4% | 0.043 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.3 | -45.1 | 177.3 | -70.3 | -13.4 | 0 | 0 | 0 | 111.1 | G290 H291 A296 L297 N298 T345 T348 I351 | G290-D294 PolarHBondContact O-N 3.28Å; H291-D294 PolarHBondContact O-N 3.48Å; D294-A296 VanDerWaalsContact C-N 3.34Å; D294-A296 PolarHBondContact O-N 2.97Å; D294-L297 PolarHBondContact O-N 3.49Å; D294-N298 WeakPolarHBondContact O-CB 3.28Å; D294-N298 PolarHBondContact O-N 3.15Å; D294-N298 PolarHBondContact O-ND2 3.35Å; D294-N298 PolarHBondContact O-OD1 3.1Å; D294-T345 PolarHBondContact OD1-OG1 3.39Å; D294-T345 WeakPolarHBondContact OD2-CB 3.45Å; D294-T345 WeakPolarHBondContact OD2-CG2 3.46Å; D294-T345 PolarHBondContact OD2-OG1 2.95Å; D294-T348 VanDerWaalsContact OD1-CA 3.27Å; D294-T348 WeakPolarHBondContact OD1-CA 3.38Å; D294-T348 WeakPolarHBondContact OD1-CB 3.08Å; D294-T348 WeakPolarHBondContact OD1-CG2 3.49Å; D294-T348 PolarHBondContact OD1-OG1 2.92Å; D294-I351 HydrophobicContact CB-CD1 3.77Å |
| 295 | Q | 85.6 | Confident | 82.7 | Confident | 14 Ų | 14 | 29.6 Ų | 29.6 | 7% | 0.065 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.1 | -34.5 | 177.5 | -63.5 | -54.3 | -23 | 0 | 0 | 112.7 | M228 A236 C240 H291 G292 R293 N298 L299 | M228-Q295 HydrophobicContact CG-CB 4.46Å; M228-Q295 HydrophobicContact SD-CB 4.01Å; A236-Q295 HydrophobicContact CB-CG 4.03Å; C240-Q295 HydrophobicContact CB-CB 4.1Å; C240-Q295 HydrophobicContact CB-CG 4.37Å; C240-Q295 PolarHBondContact SG-OE1 3.1Å; H291-Q295 WeakPolarHBondContact O-CG 3.44Å; H291-Q295 PolarHBondContact O-N 3.03Å; G292-Q295 PolarHBondContact O-N 2.86Å; R293-Q295 VanDerWaalsContact C-N 3.3Å; R293-Q295 PolarHBondContact O-N 3.16Å; Q295-N298 PolarHBondContact O-N 3.42Å; Q295-N298 PolarHBondContact OE1-ND2 3.33Å; Q295-L299 WeakPolarHBondContact O-CG 3.28Å; Q295-L299 PolarHBondContact O-N 3.4Å |
| 296 | A | 86.7 | Confident | 81.5 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.7 | -49 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112 | M282 I283 G292 R293 D294 N298 L299 L300 | M282-A296 HydrophobicContact CE-CB 3.17Å; I283-A296 HydrophobicContact CG1-CB 4.12Å; G292-A296 PolarHBondContact O-N 3.47Å; R293-A296 VanDerWaalsContact O-CB 3.25Å; R293-A296 WeakPolarHBondContact O-CB 3.36Å; R293-A296 PolarHBondContact O-N 2.95Å; R293-A296 VanDerWaalsContact O-N 3.16Å; D294-A296 VanDerWaalsContact C-N 3.34Å; D294-A296 PolarHBondContact O-N 2.97Å; A296-N298 VanDerWaalsContact C-N 3.33Å; A296-L299 PolarHBondContact O-N 2.89Å; A296-L300 WeakPolarHBondContact O-CG 3.44Å; A296-L300 PolarHBondContact O-N 3.26Å; A296-L300 VanDerWaalsContact O-N 3.1Å |
| 297 | L | 86.8 | Confident | 80.3 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.2 | -44.1 | 178.3 | -67.4 | 167.3 | 0 | 0 | 0 | 110 | I283 R293 D294 L299 L300 T301 V331 T348 I351 A352 L355 | I283-L297 HydrophobicContact CD1-CD2 3.89Å; I283-L297 HydrophobicContact CG1-CD2 4.18Å; I283-L297 HydrophobicContact CG2-CD2 4.44Å; R293-L297 WeakPolarHBondContact O-CG 3.2Å; R293-L297 PolarHBondContact O-N 2.78Å; D294-L297 PolarHBondContact O-N 3.49Å; L297-L299 VanDerWaalsContact C-N 3.35Å; L297-L299 PolarHBondContact O-N 3.2Å; L297-L300 WeakPolarHBondContact O-CB 3.43Å; L297-L300 PolarHBondContact O-N 3.34Å; L297-L300 VanDerWaalsContact O-N 3.16Å; L297-T301 PolarHBondContact O-N 3.3Å; L297-T301 PolarHBondContact O-OG1 2.89Å; L297-V331 HydrophobicContact CD1-CG1 4.39Å; L297-T348 HydrophobicContact CD1-CG2 3.89Å; L297-I351 HydrophobicContact CB-CG2 3.49Å; L297-I351 VanDerWaalsContact CB-CG2 3.49Å; L297-I351 HydrophobicContact CD1-CG2 4.16Å; L297-I351 HydrophobicContact CG-CG2 4.47Å; L297-A352 HydrophobicContact CD1-CB 4.18Å; L297-L355 HydrophobicContact CD2-CD2 3.73Å |
| 298 | N | 83.9 | Confident | 78.9 | Confident | 4 Ų | 4 | 25.5 Ų | 25.5 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.6 | -42.9 | 176.6 | -66.1 | -16.8 | 0 | 0 | 0 | 112.8 | D294 Q295 A296 L300 T301 K302 I351 A638 | D294-N298 WeakPolarHBondContact O-CB 3.28Å; D294-N298 PolarHBondContact O-N 3.15Å; D294-N298 PolarHBondContact O-ND2 3.35Å; D294-N298 PolarHBondContact O-OD1 3.1Å; Q295-N298 PolarHBondContact O-N 3.42Å; Q295-N298 PolarHBondContact OE1-ND2 3.33Å; A296-N298 VanDerWaalsContact C-N 3.33Å; N298-L300 VanDerWaalsContact C-N 3.34Å; N298-T301 WeakPolarHBondContact O-CB 3.34Å; N298-T301 PolarHBondContact O-N 2.72Å; N298-K302 WeakPolarHBondContact O-CG 3.08Å; N298-K302 PolarHBondContact O-N 2.69Å; N298-I351 WeakPolarHBondContact OD1-CG2 3.14Å; N298-A638 HydrophobicContact CB-CB 4.03Å; N298-A638 WeakPolarHBondContact OD1-CB 3.42Å |
| 299 | L | 82.9 | Confident | 77.3 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.5 | -43.9 | 176.2 | -78.6 | 172 | 0 | 0 | 0 | 111.3 | M228 C240 F243 Q244 L279 Q295 A296 L297 T301 K302 N303 | M228-L299 HydrophobicContact CE-CD1 4.14Å; M228-L299 HydrophobicContact SD-CD1 4.02Å; C240-L299 VanDerWaalsContact SG-CG 3.59Å; F243-L299 HydrophobicContact CB-CD1 3.75Å; F243-L299 HydrophobicContact CB-CD2 3.94Å; F243-L299 HydrophobicContact CD2-CD1 3.95Å; F243-L299 HydrophobicContact CG-CD1 4.05Å; Q244-L299 HydrophobicContact CB-CD2 4.42Å; L279-L299 HydrophobicContact CD1-CB 4.13Å; L279-L299 HydrophobicContact CD1-CD1 4.36Å; L279-L299 HydrophobicContact CD2-CD1 3.88Å; Q295-L299 WeakPolarHBondContact O-CG 3.28Å; Q295-L299 PolarHBondContact O-N 3.4Å; A296-L299 PolarHBondContact O-N 2.89Å; L297-L299 VanDerWaalsContact C-N 3.35Å; L297-L299 PolarHBondContact O-N 3.2Å; L299-T301 VanDerWaalsContact C-N 3.34Å; L299-K302 PolarHBondContact O-N 2.73Å; L299-N303 VanDerWaalsContact O-CB 3.24Å; L299-N303 WeakPolarHBondContact O-CB 3.33Å; L299-N303 PolarHBondContact O-N 3.42Å; L299-N303 PolarHBondContact O-ND2 3.45Å; L299-N303 VanDerWaalsContact O-ND2 3.14Å |
| 300 | L | 84.5 | Confident | 75.3 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.7 | -42.1 | 175.5 | -66.9 | 169.8 | 0 | 0 | 0 | 111 | L276 L279 L280 I283 A296 L297 N298 K302 N303 V304 P305 L355 | L276-L300 HydrophobicContact CD2-CD2 3.8Å; L279-L300 HydrophobicContact CB-CD2 4.23Å; L279-L300 HydrophobicContact CB-CG 4.46Å; L279-L300 HydrophobicContact CD1-CD2 4.31Å; L280-L300 HydrophobicContact CD2-CD1 3.84Å; I283-L300 HydrophobicContact CD1-CD1 3.34Å; A296-L300 WeakPolarHBondContact O-CG 3.44Å; A296-L300 PolarHBondContact O-N 3.26Å; A296-L300 VanDerWaalsContact O-N 3.1Å; L297-L300 WeakPolarHBondContact O-CB 3.43Å; L297-L300 PolarHBondContact O-N 3.34Å; L297-L300 VanDerWaalsContact O-N 3.16Å; N298-L300 VanDerWaalsContact C-N 3.34Å; L300-K302 VanDerWaalsContact C-N 3.26Å; L300-K302 PolarHBondContact O-N 3.05Å; L300-N303 PolarHBondContact O-N 3.44Å; L300-V304 HydrophobicContact CB-CG2 4.18Å; L300-V304 HydrophobicContact CD2-CG2 3.77Å; L300-V304 VanDerWaalsContact O-CB 3.23Å; L300-V304 WeakPolarHBondContact O-CB 3.34Å; L300-V304 VanDerWaalsContact O-CG2 3.31Å; L300-V304 WeakPolarHBondContact O-CG2 3.19Å; L300-V304 PolarHBondContact O-N 3.12Å; L300-P305 WeakPolarHBondContact O-CD 3.36Å; L300-L355 HydrophobicContact CB-CD1 3.97Å; L300-L355 HydrophobicContact CB-CD2 4.06Å; L300-L355 HydrophobicContact CD1-CD2 4.32Å |
| 301 | T | 83.4 | Confident | 73.7 | Confident | 4 Ų | 4 | 43 Ų | 43 | 3% | 0.025 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.5 | -33 | 178.8 | -56.5 | 0 | 0 | 0 | 0 | 112.7 | L297 N298 L299 P305 V354 L355 K358 | L297-T301 PolarHBondContact O-N 3.3Å; L297-T301 PolarHBondContact O-OG1 2.89Å; N298-T301 WeakPolarHBondContact O-CB 3.34Å; N298-T301 PolarHBondContact O-N 2.72Å; L299-T301 VanDerWaalsContact C-N 3.34Å; T301-P305 WeakPolarHBondContact O-CD 3.49Å; T301-V354 HydrophobicContact CG2-CG1 4.09Å; T301-L355 WeakPolarHBondContact OG1-CB 3.3Å; T301-K358 HydrophobicContact CG2-CD 3.59Å; T301-K358 HydrophobicContact CG2-CG 4.45Å |
| 302 | K | 77.8 | Confident | 72.1 | Confident | 78 Ų | 78 | 51.5 Ų | 51.5 | 34% | 0.339 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -86.3 | -35.8 | -179.9 | -72.1 | 179.3 | -178.8 | 179.4 | 0 | 113.5 | N298 L299 L300 S637 | N298-K302 WeakPolarHBondContact O-CG 3.08Å; N298-K302 PolarHBondContact O-N 2.69Å; L299-K302 PolarHBondContact O-N 2.73Å; L300-K302 VanDerWaalsContact C-N 3.26Å; L300-K302 PolarHBondContact O-N 3.05Å; K302-S637 WeakPolarHBondContact CE-OG 3.36Å; K302-S637 PolarHBondContact NZ-OG 3.4Å; K302-S637 VanDerWaalsContact NZ-OG 3.16Å |
| 303 | N | 76.4 | Confident | 70.9 | Confident | 18 Ų | 18 | 58.1 Ų | 58.1 | 10% | 0.096 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -105.3 | -19.4 | -165.5 | -66.2 | -40.2 | 0 | 0 | 0 | 114.9 | Q244 N247 L299 L300 | Q244-N303 PolarHBondContact NE2-OD1 3.37Å; Q244-N303 PolarHBondContact OE1-ND2 3.36Å; Q244-N303 PolarHBondContact OE1-OD1 3.4Å; N247-N303 VanDerWaalsContact ND2-CB 3.31Å; N247-N303 WeakPolarHBondContact ND2-CB 3.5Å; N247-N303 PolarHBondContact ND2-OD1 3.39Å; L299-N303 VanDerWaalsContact O-CB 3.24Å; L299-N303 WeakPolarHBondContact O-CB 3.33Å; L299-N303 PolarHBondContact O-N 3.42Å; L299-N303 PolarHBondContact O-ND2 3.45Å; L299-N303 VanDerWaalsContact O-ND2 3.14Å; L300-N303 PolarHBondContact O-N 3.44Å |
| 304 | V | 73 | Confident | 69.7 | Low | 5 Ų | 5 | 59.4 Ų | 59.4 | 3% | 0.03 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -83.9 | -52 | -179 | 179.5 | 0 | 0 | 0 | 0 | 112.1 | L276 L300 R316 T317 T320 L359 | L276-V304 HydrophobicContact CD2-CG2 3.73Å; L300-V304 HydrophobicContact CB-CG2 4.18Å; L300-V304 HydrophobicContact CD2-CG2 3.77Å; L300-V304 VanDerWaalsContact O-CB 3.23Å; L300-V304 WeakPolarHBondContact O-CB 3.34Å; L300-V304 VanDerWaalsContact O-CG2 3.31Å; L300-V304 WeakPolarHBondContact O-CG2 3.19Å; L300-V304 PolarHBondContact O-N 3.12Å; V304-R316 HydrophobicContact CG1-CB 4.48Å; V304-T317 PolarHBondContact O-OG1 3Å; V304-T320 HydrophobicContact CG1-CG2 4.34Å; V304-T320 WeakPolarHBondContact CG1-OG1 3.38Å; V304-L359 HydrophobicContact CB-CD2 4.36Å; V304-L359 HydrophobicContact CG1-CD2 3.64Å |
| 305 | P | 67.1 | Low | 68.9 | Low | 21 Ų | 21 | 62.7 Ų | 62.7 | 14% | 0.136 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -65.1 | 145.3 | -179.1 | -18.5 | 32.7 | 0 | 0 | 0 | 111.7 | L300 T301 K307 K358 D362 | L300-P305 WeakPolarHBondContact O-CD 3.36Å; T301-P305 WeakPolarHBondContact O-CD 3.49Å; P305-K307 PolarHBondContact O-N 2.93Å; P305-K358 HydrophobicContact CG-CB 3.86Å; P305-K358 HydrophobicContact CG-CD 4.37Å; P305-D362 HydrophobicContact CB-CB 4.4Å |
| 306 | S | 61.8 | Low | 68.2 | Low | 31 Ų | 31 | 65.9 Ų | 65.9 | 22% | 0.217 | 32% | 0.317 | C | S | . | . | trans | -65 | 126.9 | 178.1 | 66 | 0 | 0 | 0 | 0 | 111 | D308 D362 | S306-D308 PolarHBondContact O-N 2.93Å; S306-D308 PolarHBondContact OG-O 3.05Å; S306-D362 WeakPolarHBondContact CB-OD1 3.31Å; S306-D362 PolarHBondContact N-OD1 3.49Å; S306-D362 PolarHBondContact OG-OD1 3.05Å | ||
| 307 | K | 56.8 | Low | 67.6 | Low | 147 Ų | 147 | 66 Ų | 66 | 64% | 0.639 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -64.9 | -31 | 175.7 | -70.5 | -176.3 | -177.5 | 173.8 | 0 | 111.3 | D248 P305 | D248-K307 IonicContact OD1-NZ 3.38Å; D248-K307 PolarHBondContact OD1-NZ 3.16Å; P305-K307 PolarHBondContact O-N 2.93Å |
| 308 | D | 53 | Low | 67 | Low | 119 Ų | 119 | 68.8 Ų | 68.8 | 64% | 0.636 | 33% | 0.333 | S | S | * | . | trans | -110.4 | 111.1 | 173.9 | -86.8 | -41 | 0 | 0 | 0 | 111.2 | S306 K310 G311 | S306-D308 PolarHBondContact O-N 2.93Å; S306-D308 PolarHBondContact OG-O 3.05Å; D308-K310 PolarHBondContact O-N 3.01Å; D308-G311 PolarHBondContact O-N 3.5Å | ||
| 309 | K | 52.4 | Low | 66.8 | Low | 156 Ų | 156 | 70.8 Ų | 70.8 | 68% | 0.678 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -11.5 | 169.9 | -66.6 | -173.4 | 177 | -173.6 | 0 | 113 | K364 | K309-K364 WeakPolarHBondContact O-CE 3.43Å; K309-K364 PolarHBondContact O-NZ 3.06Å |
| 310 | K | 45 | Very low | 66.5 | Low | 203 Ų | 203 | 70.7 Ų | 70.7 | 88% | 0.883 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -17.7 | 174.6 | -70.3 | -177 | 178.3 | 178.4 | 0 | 114.6 | D308 | D308-K310 PolarHBondContact O-N 3.01Š|
| 311 | G | 49.9 | Very low | 66.2 | Low | 32 Ų | 32 | 71.1 Ų | 71.1 | 33% | 0.33 | 34% | 0.343 | S | S | . | . | trans | -66.7 | 148.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D308 H314 K364 | D308-G311 PolarHBondContact O-N 3.5Å; G311-H314 PolarHBondContact O-CE1 2.93Å; G311-H314 VanDerWaalsContact O-CE1 3.31Å; G311-K364 PolarHBondContact O-NZ 2.87Å | ||
| 312 | R | 48.7 | Very low | 66.1 | Low | 239 Ų | 239 | 75.8 Ų | 75.8 | 90% | 0.902 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -83.5 | -16.8 | -177.9 | -81.9 | -178 | 175.1 | 166.6 | -1.2 | 114.3 | H314 | R312-H314 PolarHBondContact O-N 3.29Å; R312-H314 PolarHBondContact O-ND1 3.27Å |
| 313 | D | 58.9 | Low | 66.2 | Low | 140 Ų | 140 | 76.8 Ų | 76.8 | 75% | 0.749 | 37% | 0.373 | S | S | * | . | trans | -92.6 | 94.8 | -168.6 | -68.9 | -12.1 | 0 | 0 | 0 | 113.6 | ||||
| 314 | H | 64.1 | Low | 66.5 | Low | 26 Ų | 26 | 75.9 Ų | 75.9 | 12% | 0.12 | 37% | 0.369 | C | S | . | . | trans | -101.7 | 16.5 | 172 | -50.2 | 76.5 | 0 | 0 | 0 | 112.2 | G311 R312 R316 T317 L318 D362 K364 | G311-H314 PolarHBondContact O-CE1 2.93Å; G311-H314 VanDerWaalsContact O-CE1 3.31Å; R312-H314 PolarHBondContact O-N 3.29Å; R312-H314 PolarHBondContact O-ND1 3.27Å; H314-R316 VanDerWaalsContact C-N 3.27Å; H314-R316 PolarHBondContact O-N 3.21Å; H314-T317 PolarHBondContact O-N 2.84Å; H314-L318 PolarHBondContact O-N 3.48Å; H314-D362 PolarHBondContact CD2-O 3.15Å; H314-D362 IonicContact CD2-OD1 3.8Å; H314-D362 IonicContact CD2-OD2 2.75Å; H314-K364 VanDerWaalsContact CE1-CD 3.44Å; H314-K364 WeakPolarHBondContact CE1-CD 2.92Å; H314-K364 VanDerWaalsContact CE1-CE 3.44Å; H314-K364 WeakPolarHBondContact CE1-CE 3.33Å; H314-K364 PolarHBondContact CE1-NZ 3.37Å; H314-K364 WeakPolarHBondContact NE2-CD 3.48Å; H314-K364 WeakPolarHBondContact NE2-CE 3.32Å; H314-K364 PolarHBondContact NE2-NZ 3.42Å | ||
| 315 | S | 68.6 | Low | 67.1 | Low | 77 Ų | 77 | 75.7 Ų | 75.7 | 54% | 0.538 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.8 | -32.7 | -173.3 | 58.3 | 0 | 0 | 0 | 0 | 113.1 | F319 | S315-F319 VanDerWaalsContact O-CB 3.27Å; S315-F319 WeakPolarHBondContact O-CB 3.37Å; S315-F319 PolarHBondContact O-N 2.93Å; S315-F319 VanDerWaalsContact O-N 3.08Å |
| 316 | R | 70.8 | Confident | 68.1 | Low | 81 Ų | 81 | 80.3 Ų | 80.3 | 31% | 0.306 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -71.6 | -40.3 | 176.6 | -63.6 | -176.6 | -174.3 | 157.8 | 8.3 | 112.4 | T251 L276 V304 H314 T320 | T251-R316 VanDerWaalsContact CG2-NH2 3.3Å; L276-R316 HydrophobicContact CD1-CB 4.32Å; L276-R316 HydrophobicContact CD1-CG 4.24Å; V304-R316 HydrophobicContact CG1-CB 4.48Å; H314-R316 VanDerWaalsContact C-N 3.27Å; H314-R316 PolarHBondContact O-N 3.21Å; R316-T320 WeakPolarHBondContact O-CB 3.32Å; R316-T320 PolarHBondContact O-N 2.86Å; R316-T320 PolarHBondContact O-OG1 3.24Å |
| 317 | T | 73.9 | Confident | 69.4 | Low | 2 Ų | 2 | 81.8 Ų | 81.8 | 1% | 0.012 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.3 | -49 | 177.8 | -56.2 | 0 | 0 | 0 | 0 | 110.4 | V304 H314 F319 T320 I321 L359 D362 L363 | V304-T317 PolarHBondContact O-OG1 3Å; H314-T317 PolarHBondContact O-N 2.84Å; T317-F319 PolarHBondContact O-N 2.9Å; T317-T320 PolarHBondContact O-N 3.24Å; T317-I321 HydrophobicContact CG2-CD1 3.99Å; T317-I321 VanDerWaalsContact O-CG1 3.29Å; T317-I321 WeakPolarHBondContact O-CG1 3.47Å; T317-I321 PolarHBondContact O-N 2.9Å; T317-L359 HydrophobicContact CG2-CD2 4.01Å; T317-D362 WeakPolarHBondContact CB-OD2 3.49Å; T317-D362 HydrophobicContact CG2-CB 4.23Å; T317-D362 PolarHBondContact OG1-OD2 3.49Å; T317-L363 HydrophobicContact CG2-CD2 4.34Å |
| 318 | L | 75.2 | Confident | 70.9 | Confident | 61 Ų | 61 | 74.8 Ų | 74.8 | 32% | 0.319 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.3 | -47.6 | 176.2 | -66.6 | 173.3 | 0 | 0 | 0 | 111.8 | H314 T320 I321 D322 E368 | H314-L318 PolarHBondContact O-N 3.48Å; L318-T320 VanDerWaalsContact C-N 3.28Å; L318-T320 PolarHBondContact O-N 3.31Å; L318-I321 PolarHBondContact O-N 3.02Å; L318-I321 VanDerWaalsContact O-N 3.11Å; L318-D322 PolarHBondContact O-N 3.19Å; L318-E368 HydrophobicContact CD2-CG 4.19Å |
| 319 | F | 77.9 | Confident | 72.6 | Confident | 45 Ų | 45 | 69.1 Ų | 69.1 | 20% | 0.197 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58 | -40.9 | 177.3 | -178.1 | -100.5 | 0 | 0 | 0 | 113 | L276 L277 S315 T317 H323 | L276-F319 HydrophobicContact CB-CE1 4.48Å; L277-F319 HydrophobicContact CD1-CZ 4.05Å; L277-F319 HydrophobicContact CD2-CE1 3.85Å; L277-F319 HydrophobicContact CD2-CZ 3.61Å; L277-F319 HydrophobicContact CG-CE1 3.87Å; L277-F319 HydrophobicContact CG-CZ 3.7Å; S315-F319 VanDerWaalsContact O-CB 3.27Å; S315-F319 WeakPolarHBondContact O-CB 3.37Å; S315-F319 PolarHBondContact O-N 2.93Å; S315-F319 VanDerWaalsContact O-N 3.08Å; T317-F319 PolarHBondContact O-N 2.9Å; F319-H323 AromaticContact CD2-CE1 3.79Å; F319-H323 AromaticContact CD2-ND1 3.67Å; F319-H323 AromaticContact CE2-CE1 3.64Å; F319-H323 AromaticContact CE2-ND1 3.67Å; F319-H323 PolarHBondContact O-N 3.05Å; F319-H323 VanDerWaalsContact O-N 3.16Å; F319-H323 PolarHBondContact O-ND1 3.12Å |
| 320 | T | 76.4 | Confident | 74.3 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -69.1 | -36 | 178.1 | -57.1 | 0 | 0 | 0 | 0 | 111.7 | L280 V304 R316 T317 L318 G324 L325 L359 | L280-T320 HydrophobicContact CD1-CG2 4.42Å; L280-T320 HydrophobicContact CD2-CG2 4.18Å; V304-T320 HydrophobicContact CG1-CG2 4.34Å; V304-T320 WeakPolarHBondContact CG1-OG1 3.38Å; R316-T320 WeakPolarHBondContact O-CB 3.32Å; R316-T320 PolarHBondContact O-N 2.86Å; R316-T320 PolarHBondContact O-OG1 3.24Å; T317-T320 PolarHBondContact O-N 3.24Å; L318-T320 VanDerWaalsContact C-N 3.28Å; L318-T320 PolarHBondContact O-N 3.31Å; T320-G324 CarbonylContact O-C 3.56Å; T320-G324 WeakPolarHBondContact O-CA 3.39Å; T320-G324 PolarHBondContact O-N 2.97Å; T320-L325 PolarHBondContact O-N 3.48Å; T320-L359 HydrophobicContact CG2-CD1 4.5Å; T320-L359 HydrophobicContact CG2-CD2 4.45Å |
| 321 | I | 79.9 | Confident | 76.3 | Confident | 8 Ų | 8 | 56.2 Ų | 56.2 | 4% | 0.041 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.2 | -50.1 | 175.6 | -69.1 | 167.1 | 0 | 0 | 0 | 109.6 | T317 L318 H323 L325 L363 F372 I375 | T317-I321 HydrophobicContact CG2-CD1 3.99Å; T317-I321 VanDerWaalsContact O-CG1 3.29Å; T317-I321 WeakPolarHBondContact O-CG1 3.47Å; T317-I321 PolarHBondContact O-N 2.9Å; L318-I321 PolarHBondContact O-N 3.02Å; L318-I321 VanDerWaalsContact O-N 3.11Å; I321-H323 PolarHBondContact O-N 3.32Å; I321-L325 HydrophobicContact CG2-CB 4.5Å; I321-L325 HydrophobicContact CG2-CD2 4Å; I321-L325 WeakPolarHBondContact O-CB 3.26Å; I321-L325 PolarHBondContact O-N 3.31Å; I321-L363 HydrophobicContact CD1-CD1 4.26Å; I321-L363 HydrophobicContact CD1-CD2 3.62Å; I321-L363 HydrophobicContact CD1-CG 4.29Å; I321-F372 HydrophobicContact CD1-CD2 4.16Å; I321-F372 HydrophobicContact CG1-CD2 4.31Å; I321-F372 HydrophobicContact CG2-CD2 4.44Å; I321-I375 HydrophobicContact CG2-CD1 4.04Å |
| 322 | D | 80 | Confident | 78 | Confident | 102 Ų | 102 | 54.7 Ų | 54.7 | 55% | 0.545 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.5 | -41.5 | -175.1 | -66.7 | -21.6 | 0 | 0 | 0 | 112.7 | L318 | L318-D322 PolarHBondContact O-N 3.19Å |
| 323 | H | 79.8 | Confident | 79.6 | Confident | 99 Ų | 99 | 43.4 Ų | 43.4 | 46% | 0.458 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -102 | -17.6 | -174.4 | -60 | 80.7 | 0 | 0 | 0 | 114 | F319 I321 | F319-H323 AromaticContact CD2-CE1 3.79Å; F319-H323 AromaticContact CD2-ND1 3.67Å; F319-H323 AromaticContact CE2-CE1 3.64Å; F319-H323 AromaticContact CE2-ND1 3.67Å; F319-H323 PolarHBondContact O-N 3.05Å; F319-H323 VanDerWaalsContact O-N 3.16Å; F319-H323 PolarHBondContact O-ND1 3.12Å; I321-H323 PolarHBondContact O-N 3.32Å |
| 324 | G | 82.9 | Confident | 80.8 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -121 | -25.8 | -165.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | T320 K326 K327 I328 | T320-G324 CarbonylContact O-C 3.56Å; T320-G324 WeakPolarHBondContact O-CA 3.39Å; T320-G324 PolarHBondContact O-N 2.97Å; G324-K326 PolarHBondContact O-N 2.91Å; G324-K327 WeakPolarHBondContact O-CA 3.41Å; G324-K327 WeakPolarHBondContact O-CB 3.5Å; G324-K327 PolarHBondContact O-N 3.48Å; G324-I328 WeakPolarHBondContact O-CG1 3.43Å; G324-I328 PolarHBondContact O-N 3.25Å |
| 325 | L | 86.5 | Confident | 81.5 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.2 | -44.6 | -171.1 | -176.7 | 55.6 | 0 | 0 | 0 | 112.9 | T320 I321 K327 I328 L329 L356 F372 I375 | T320-L325 PolarHBondContact O-N 3.48Å; I321-L325 HydrophobicContact CG2-CB 4.5Å; I321-L325 HydrophobicContact CG2-CD2 4Å; I321-L325 WeakPolarHBondContact O-CB 3.26Å; I321-L325 PolarHBondContact O-N 3.31Å; L325-K327 VanDerWaalsContact C-N 3.27Å; L325-K327 PolarHBondContact O-N 3.42Å; L325-I328 PolarHBondContact O-N 3.2Å; L325-L329 HydrophobicContact CD1-CD1 4.44Å; L325-L329 HydrophobicContact CD1-CG 4.31Å; L325-L329 HydrophobicContact CG-CD1 4.18Å; L325-L329 WeakPolarHBondContact O-CG 3.47Å; L325-L329 PolarHBondContact O-N 3.42Å; L325-L356 HydrophobicContact CD1-CD2 3.42Å; L325-L356 VanDerWaalsContact CD1-CD2 3.42Å; L325-F372 HydrophobicContact CD1-CD2 4.35Å; L325-F372 HydrophobicContact CD1-CE2 3.57Å; L325-F372 HydrophobicContact CD1-CZ 3.84Å; L325-F372 HydrophobicContact CD2-CD2 3.62Å; L325-F372 HydrophobicContact CD2-CE2 3.71Å; L325-F372 HydrophobicContact CD2-CG 4.15Å; L325-F372 HydrophobicContact CD2-CZ 4.29Å; L325-F372 HydrophobicContact CG-CE2 4.32Å; L325-I375 HydrophobicContact CB-CG2 4.39Å; L325-I375 HydrophobicContact CD2-CB 3.94Å; L325-I375 HydrophobicContact CD2-CD1 4.23Å; L325-I375 HydrophobicContact CD2-CG2 3.71Å; L325-I375 HydrophobicContact CG-CG2 4.09Å |
| 326 | K | 88.6 | Confident | 81.8 | Confident | 118 Ų | 118 | 37.1 Ų | 37.1 | 51% | 0.513 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62 | -33.1 | 176.5 | -65.6 | -178.4 | -178.4 | 177.6 | 0 | 112.9 | G324 K330 I375 Y379 | G324-K326 PolarHBondContact O-N 2.91Å; K326-K330 WeakPolarHBondContact O-CB 3.32Å; K326-K330 PolarHBondContact O-N 3.45Å; K326-K330 VanDerWaalsContact O-N 3.09Å; K326-I375 HydrophobicContact CG-CG2 4.05Å; K326-Y379 HydrophobicContact CB-CD2 4.36Å; K326-Y379 HydrophobicContact CG-CD2 4.39Å |
| 327 | K | 88.8 | Confident | 81.9 | Confident | 61 Ų | 61 | 38.4 Ų | 38.4 | 27% | 0.265 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -71.7 | -41.4 | 177.4 | -63.7 | -177.2 | -175.9 | 175.9 | 0 | 110.9 | L280 S284 G324 L325 K330 V331 | L280-K327 WeakPolarHBondContact O-CD 3.3Å; S284-K327 WeakPolarHBondContact OG-CB 3.43Å; S284-K327 WeakPolarHBondContact OG-CG 3.34Å; G324-K327 WeakPolarHBondContact O-CA 3.41Å; G324-K327 WeakPolarHBondContact O-CB 3.5Å; G324-K327 PolarHBondContact O-N 3.48Å; L325-K327 VanDerWaalsContact C-N 3.27Å; L325-K327 PolarHBondContact O-N 3.42Å; K327-K330 WeakPolarHBondContact O-CB 3.38Å; K327-K330 PolarHBondContact O-N 2.99Å; K327-V331 PolarHBondContact O-N 2.97Å |
| 328 | I | 88.3 | Confident | 81.9 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.8 | -45.3 | 176.5 | -61.6 | 163.5 | 0 | 0 | 0 | 110.4 | L280 I283 G324 L325 K330 V331 C332 A352 L355 L356 L359 | L280-I328 HydrophobicContact CD2-CD1 4.47Å; I283-I328 HydrophobicContact CD1-CG1 4.46Å; G324-I328 WeakPolarHBondContact O-CG1 3.43Å; G324-I328 PolarHBondContact O-N 3.25Å; L325-I328 PolarHBondContact O-N 3.2Å; I328-K330 VanDerWaalsContact C-N 3.28Å; I328-K330 PolarHBondContact O-N 3.34Å; I328-V331 PolarHBondContact O-N 3.46Å; I328-V331 VanDerWaalsContact O-N 3.17Å; I328-C332 WeakPolarHBondContact O-CB 3.49Å; I328-C332 PolarHBondContact O-N 3.48Å; I328-A352 HydrophobicContact CG2-CB 4.46Å; I328-L355 HydrophobicContact CD1-CD2 3.72Å; I328-L355 HydrophobicContact CD1-CG 4.38Å; I328-L355 HydrophobicContact CG1-CD2 4.13Å; I328-L355 HydrophobicContact CG2-CD2 4.18Å; I328-L356 HydrophobicContact CG2-CD1 4.39Å; I328-L356 HydrophobicContact CG2-CD2 3.84Å; I328-L356 HydrophobicContact CG2-CG 3.93Å; I328-L359 HydrophobicContact CD1-CD1 4.11Å |
| 329 | L | 87.9 | Confident | 81.2 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.6 | -38.5 | 175.3 | -70.3 | 172.6 | 0 | 0 | 0 | 112.1 | L325 V331 C332 G333 L356 Y379 T398 L402 | L325-L329 HydrophobicContact CD1-CD1 4.44Å; L325-L329 HydrophobicContact CD1-CG 4.31Å; L325-L329 HydrophobicContact CG-CD1 4.18Å; L325-L329 WeakPolarHBondContact O-CG 3.47Å; L325-L329 PolarHBondContact O-N 3.42Å; L329-V331 PolarHBondContact O-N 3.32Å; L329-C332 PolarHBondContact O-N 3.16Å; L329-G333 PolarHBondContact O-N 3.24Å; L329-L356 HydrophobicContact CD2-CD1 4.06Å; L329-L356 HydrophobicContact CD2-CD2 4.31Å; L329-Y379 HydrophobicContact CB-CD1 3.96Å; L329-Y379 HydrophobicContact CB-CD2 4.5Å; L329-Y379 HydrophobicContact CB-CE1 3.91Å; L329-Y379 HydrophobicContact CB-CE2 4.44Å; L329-Y379 HydrophobicContact CB-CG 4.27Å; L329-Y379 HydrophobicContact CD1-CD1 4.13Å; L329-Y379 HydrophobicContact CD1-CG 3.96Å; L329-T398 HydrophobicContact CB-CG2 4.28Å; L329-T398 HydrophobicContact CD2-CG2 3.86Å; L329-L402 HydrophobicContact CD2-CD1 4.3Å; L329-L402 HydrophobicContact CD2-CD2 4.04Å; L329-L402 HydrophobicContact CD2-CG 4.31Å |
| 330 | K | 87.9 | Confident | 80.5 | Confident | 86 Ų | 86 | 45.3 Ų | 45.3 | 37% | 0.374 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60 | -43 | 175.2 | -176.4 | -176.9 | 176.1 | -175.3 | 0 | 112.6 | K326 K327 I328 Q334 Y379 | K326-K330 WeakPolarHBondContact O-CB 3.32Å; K326-K330 PolarHBondContact O-N 3.45Å; K326-K330 VanDerWaalsContact O-N 3.09Å; K327-K330 WeakPolarHBondContact O-CB 3.38Å; K327-K330 PolarHBondContact O-N 2.99Å; I328-K330 VanDerWaalsContact C-N 3.28Å; I328-K330 PolarHBondContact O-N 3.34Å; K330-Q334 WeakPolarHBondContact O-CG 3.31Å; K330-Y379 WeakPolarHBondContact CA-OH 3.41Å; K330-Y379 WeakPolarHBondContact CB-OH 3.41Å |
| 331 | V | 86.7 | Confident | 80.2 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.012 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.5 | -39 | 178 | 170.4 | 0 | 0 | 0 | 0 | 111.3 | I283 L297 K327 I328 L329 G333 Q334 L342 L344 T348 | I283-V331 HydrophobicContact CG2-CB 4.13Å; I283-V331 HydrophobicContact CG2-CG2 3.37Å; I283-V331 WeakPolarHBondContact O-CG2 3.49Å; L297-V331 HydrophobicContact CD1-CG1 4.39Å; K327-V331 PolarHBondContact O-N 2.97Å; I328-V331 PolarHBondContact O-N 3.46Å; I328-V331 VanDerWaalsContact O-N 3.17Å; L329-V331 PolarHBondContact O-N 3.32Å; V331-G333 VanDerWaalsContact C-N 3.29Å; V331-G333 PolarHBondContact O-N 2.98Å; V331-Q334 PolarHBondContact O-N 3.35Å; V331-L342 HydrophobicContact CG2-CD1 3.86Å; V331-L344 HydrophobicContact CG1-CD2 3.96Å; V331-T348 HydrophobicContact CG1-CG2 3.52Å |
| 332 | C | 85.9 | Confident | 80.2 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.6 | -35.1 | 176.4 | -170.1 | 0 | 0 | 0 | 0 | 113.1 | I328 L329 Q349 A352 N397 | I328-C332 WeakPolarHBondContact O-CB 3.49Å; I328-C332 PolarHBondContact O-N 3.48Å; L329-C332 PolarHBondContact O-N 3.16Å; C332-Q349 PolarHBondContact O-NE2 3.29Å; C332-A352 HydrophobicContact CB-CB 4.11Å; C332-N397 PolarHBondContact O-ND2 2.94Å |
| 333 | G | 82.4 | Confident | 80.1 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -8.7 | -178 | 0 | 0 | 0 | 0 | 0 | 116.3 | L329 V331 H394 N397 T398 | L329-G333 PolarHBondContact O-N 3.24Å; V331-G333 VanDerWaalsContact C-N 3.29Å; V331-G333 PolarHBondContact O-N 2.98Å; G333-H394 WeakPolarHBondContact O-CA 3.41Å; G333-H394 PolarHBondContact O-ND1 3.48Å; G333-N397 PolarHBondContact O-ND2 2.94Å; G333-T398 WeakPolarHBondContact CA-OG1 3.37Å |
| 334 | Q | 85.1 | Confident | 80.1 | Confident | 23 Ų | 23 | 42.3 Ų | 42.3 | 11% | 0.107 | 22% | 0.222 | C | C | . | . | trans | -76.3 | 138.6 | -177.4 | -80.1 | -179.1 | -1.9 | 0 | 0 | 112.1 | K330 V331 L342 L344 N397 | K330-Q334 WeakPolarHBondContact O-CG 3.31Å; V331-Q334 PolarHBondContact O-N 3.35Å; Q334-L342 VanDerWaalsContact OE1-CD1 3.27Å; Q334-L344 HydrophobicContact CB-CD1 3.43Å; Q334-L344 VanDerWaalsContact CB-CD1 3.43Å; Q334-N397 PolarHBondContact O-ND2 3.47Å | ||
| 335 | V | 78.9 | Confident | 80 | Confident | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | trans | -115.4 | 108.5 | -173.9 | 176.1 | 0 | 0 | 0 | 0 | 108.2 | E337 L338 Q341 L393 N397 V433 V437 | V335-E337 VanDerWaalsContact CG1-OE2 3.25Å; V335-E337 WeakPolarHBondContact CG1-OE2 3.44Å; V335-E337 PolarHBondContact O-N 3.42Å; V335-L338 HydrophobicContact CB-CD1 3.97Å; V335-L338 HydrophobicContact CB-CG 4.27Å; V335-L338 HydrophobicContact CG1-CG 4.47Å; V335-L338 PolarHBondContact O-N 2.97Å; V335-L338 VanDerWaalsContact O-N 3.11Å; V335-Q341 VanDerWaalsContact C-CD 3.49Å; V335-Q341 PolarHBondContact O-NE2 2.7Å; V335-Q341 PolarHBondContact O-OE1 3.42Å; V335-L393 HydrophobicContact CG2-CG 4.42Å; V335-N397 HydrophobicContact CG2-CB 3.71Å; V335-N397 WeakPolarHBondContact CG2-ND2 3.45Å; V335-V433 HydrophobicContact CG1-CG1 4.07Å; V335-V437 HydrophobicContact CG1-CG2 4.08Å; V335-V437 HydrophobicContact CG2-CG2 4.17Å | ||
| 336 | P | 73.7 | Confident | 79.3 | Confident | 84 Ų | 84 | 47.5 Ų | 47.5 | 55% | 0.545 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49 | -23.4 | -170.4 | -30.5 | 34.9 | 0 | 0 | 0 | 116.8 | Q341 | P336-Q341 PolarHBondContact O-NE2 3.04Š|
| 337 | E | 72.3 | Confident | 78.7 | Confident | 109 Ų | 109 | 42.9 Ų | 42.9 | 51% | 0.509 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -4.2 | -178.5 | -59.4 | 97.6 | 178.2 | 0 | 0 | 116.2 | V335 V433 M436 | V335-E337 VanDerWaalsContact CG1-OE2 3.25Å; V335-E337 WeakPolarHBondContact CG1-OE2 3.44Å; V335-E337 PolarHBondContact O-N 3.42Å; E337-V433 HydrophobicContact CB-CG1 4.28Å; E337-V433 HydrophobicContact CB-CG2 4.1Å; E337-M436 VanDerWaalsContact OE1-CE 3.29Å; E337-M436 WeakPolarHBondContact OE1-CE 3.31Å; E337-M436 WeakPolarHBondContact OE2-CE 3.25Å |
| 338 | L | 75.4 | Confident | 78.5 | Confident | 14 Ų | 14 | 40 Ų | 40 | 7% | 0.073 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -90.6 | 153 | -178.4 | -63.9 | 173 | 0 | 0 | 0 | 114.9 | V335 Q341 L393 | V335-L338 HydrophobicContact CB-CD1 3.97Å; V335-L338 HydrophobicContact CB-CG 4.27Å; V335-L338 HydrophobicContact CG1-CG 4.47Å; V335-L338 PolarHBondContact O-N 2.97Å; V335-L338 VanDerWaalsContact O-N 3.11Å; L338-Q341 PolarHBondContact O-NE2 2.95Å; L338-L393 HydrophobicContact CD1-CD2 3.92Å; L338-L393 HydrophobicContact CD2-CD2 4.07Å; L338-L393 HydrophobicContact CG-CD2 4.31Å |
| 339 | P | 59.9 | Low | 78.3 | Confident | 111 Ų | 111 | 42 Ų | 42 | 72% | 0.721 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -70.6 | 143.5 | 170.7 | 27.1 | -30.5 | 0 | 0 | 0 | 112 | ||
| 340 | D | 64.3 | Low | 78 | Confident | 128 Ų | 128 | 44 Ų | 44 | 68% | 0.684 | 24% | 0.237 | S | C | * | . | S | Bend | trans | 70.8 | 64.5 | -177 | -164.1 | 34.8 | 0 | 0 | 0 | 117.3 | K286 | K286-D340 IonicContact NZ-OD1 2.81Å; K286-D340 PolarHBondContact NZ-OD1 3.03Å; K286-D340 IonicContact NZ-OD2 2.95Å |
| 341 | Q | 68.7 | Low | 77.8 | Confident | 37 Ų | 37 | 40 Ų | 40 | 17% | 0.173 | 22% | 0.22 | C | C | . | . | trans | -119.8 | 161.8 | -178.1 | -73.7 | -174.3 | 69.8 | 0 | 0 | 115.7 | V335 P336 L338 | V335-Q341 VanDerWaalsContact C-CD 3.49Å; V335-Q341 PolarHBondContact O-NE2 2.7Å; V335-Q341 PolarHBondContact O-OE1 3.42Å; P336-Q341 PolarHBondContact O-NE2 3.04Å; L338-Q341 PolarHBondContact O-NE2 2.95Å | ||
| 342 | L | 79.4 | Confident | 77.8 | Confident | 9 Ų | 9 | 40 Ų | 40 | 5% | 0.047 | 22% | 0.219 | C | C | . | . | trans | -72.2 | 148.2 | 164.8 | -58.4 | 167.5 | 0 | 0 | 0 | 108.7 | K286 V331 Q334 L344 | K286-L342 HydrophobicContact CB-CD2 4.36Å; K286-L342 HydrophobicContact CG-CD2 3.79Å; V331-L342 HydrophobicContact CG2-CD1 3.86Å; Q334-L342 VanDerWaalsContact OE1-CD1 3.27Å; L342-L344 HydrophobicContact CB-CD2 4.47Å; L342-L344 WeakPolarHBondContact O-CG 3.49Å; L342-L344 PolarHBondContact O-N 2.98Å; L342-L344 VanDerWaalsContact O-N 3.13Å | ||
| 343 | P | 78.8 | Confident | 77.8 | Confident | 59 Ų | 59 | 40 Ų | 40 | 38% | 0.383 | 22% | 0.219 | S | C | . | . | trans | -58.4 | 113.9 | 167.2 | -20.5 | 21.3 | 0 | 0 | 0 | 111.1 | G290 R293 | G290-P343 VanDerWaalsContact CA-O 3.29Å; G290-P343 WeakPolarHBondContact CA-O 3.21Å; R293-P343 VanDerWaalsContact NH1-CB 3.28Å; R293-P343 PolarHBondContact NH1-O 3.26Å | ||
| 344 | L | 80.6 | Confident | 77.9 | Confident | 41 Ų | 41 | 41 Ų | 41 | 22% | 0.215 | 23% | 0.225 | C | C | . | . | trans | -120.2 | 149.1 | -178.2 | -63.2 | 165.7 | 0 | 0 | 0 | 109.6 | V331 Q334 L342 T348 | V331-L344 HydrophobicContact CG1-CD2 3.96Å; Q334-L344 HydrophobicContact CB-CD1 3.43Å; Q334-L344 VanDerWaalsContact CB-CD1 3.43Å; L342-L344 HydrophobicContact CB-CD2 4.47Å; L342-L344 WeakPolarHBondContact O-CG 3.49Å; L342-L344 PolarHBondContact O-N 2.98Å; L342-L344 VanDerWaalsContact O-N 3.13Å; L344-T348 HydrophobicContact CD2-CG2 3.65Å | ||
| 345 | T | 79.2 | Confident | 77.9 | Confident | 27 Ų | 27 | 39.9 Ų | 39.9 | 17% | 0.166 | 22% | 0.22 | C | C | . | . | trans | -94.9 | 168.3 | 163.4 | 82.9 | 0 | 0 | 0 | 0 | 109 | G290 D294 N347 T348 | G290-T345 VanDerWaalsContact C-CG2 3.49Å; D294-T345 PolarHBondContact OD1-OG1 3.39Å; D294-T345 WeakPolarHBondContact OD2-CB 3.45Å; D294-T345 WeakPolarHBondContact OD2-CG2 3.46Å; D294-T345 PolarHBondContact OD2-OG1 2.95Å; T345-N347 PolarHBondContact O-N 3.16Å; T345-N347 PolarHBondContact OG1-N 3.43Å; T345-T348 PolarHBondContact N-OG1 3.39Å; T345-T348 PolarHBondContact O-N 3.16Å; T345-T348 PolarHBondContact O-OG1 3.13Å; T345-T348 PolarHBondContact OG1-N 3.48Å; T345-T348 PolarHBondContact OG1-OG1 3.44Å | ||
| 346 | E | 72.1 | Confident | 78.3 | Confident | 83 Ų | 83 | 39.8 Ų | 39.8 | 39% | 0.388 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -23.4 | 176.5 | -61.8 | 174.3 | 177.9 | 0 | 0 | 112.4 | K523 | E346-K523 VanDerWaalsContact OE1-CD 3.29Å; E346-K523 WeakPolarHBondContact OE1-CD 3.23Å; E346-K523 WeakPolarHBondContact OE1-CE 3.48Å; E346-K523 IonicContact OE1-NZ 2.64Å; E346-K523 PolarHBondContact OE1-NZ 3.06Å |
| 347 | N | 77.3 | Confident | 78.9 | Confident | 20 Ų | 20 | 37.9 Ų | 37.9 | 11% | 0.107 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -16.4 | -179.5 | -60.3 | -52.4 | 0 | 0 | 0 | 112.4 | T345 Q349 L350 I351 K564 T565 I639 | T345-N347 PolarHBondContact O-N 3.16Å; T345-N347 PolarHBondContact OG1-N 3.43Å; N347-Q349 VanDerWaalsContact C-N 3.31Å; N347-Q349 PolarHBondContact O-N 3.19Å; N347-L350 PolarHBondContact O-N 3.23Å; N347-L350 VanDerWaalsContact O-N 3.12Å; N347-I351 HydrophobicContact CB-CD1 3.92Å; N347-I351 HydrophobicContact CB-CG1 4.42Å; N347-I351 VanDerWaalsContact O-CG1 3.32Å; N347-I351 WeakPolarHBondContact O-CG1 3.38Å; N347-I351 PolarHBondContact O-N 3.5Å; N347-K564 PolarHBondContact OD1-N 3.32Å; N347-T565 WeakPolarHBondContact OD1-CG2 3.35Å; N347-I639 HydrophobicContact CB-CD1 4.13Å |
| 348 | T | 83.2 | Confident | 79.4 | Confident | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.6 | -40.8 | -169.8 | -51.5 | 0 | 0 | 0 | 0 | 112.6 | D294 L297 V331 L344 T345 I351 A352 | D294-T348 VanDerWaalsContact OD1-CA 3.27Å; D294-T348 WeakPolarHBondContact OD1-CA 3.38Å; D294-T348 WeakPolarHBondContact OD1-CB 3.08Å; D294-T348 WeakPolarHBondContact OD1-CG2 3.49Å; D294-T348 PolarHBondContact OD1-OG1 2.92Å; L297-T348 HydrophobicContact CD1-CG2 3.89Å; V331-T348 HydrophobicContact CG1-CG2 3.52Å; L344-T348 HydrophobicContact CD2-CG2 3.65Å; T345-T348 PolarHBondContact N-OG1 3.39Å; T345-T348 PolarHBondContact O-N 3.16Å; T345-T348 PolarHBondContact O-OG1 3.13Å; T345-T348 PolarHBondContact OG1-N 3.48Å; T345-T348 PolarHBondContact OG1-OG1 3.44Å; T348-I351 PolarHBondContact O-N 2.97Å; T348-A352 WeakPolarHBondContact O-CB 3.32Å; T348-A352 PolarHBondContact O-N 3.14Å |
| 349 | Q | 84.9 | Confident | 79.9 | Confident | 41 Ų | 41 | 35.3 Ų | 35.3 | 19% | 0.192 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63 | -48.3 | 177.5 | -176 | -179.7 | 47.9 | 0 | 0 | 111.4 | C332 N347 I351 A352 S353 N397 | C332-Q349 PolarHBondContact O-NE2 3.29Å; N347-Q349 VanDerWaalsContact C-N 3.31Å; N347-Q349 PolarHBondContact O-N 3.19Å; Q349-I351 VanDerWaalsContact C-N 3.35Å; Q349-I351 PolarHBondContact O-N 3.32Å; Q349-A352 PolarHBondContact O-N 2.87Å; Q349-S353 WeakPolarHBondContact O-CB 3.36Å; Q349-S353 PolarHBondContact O-N 3.41Å; Q349-S353 PolarHBondContact O-OG 2.79Å; Q349-N397 VanDerWaalsContact NE2-CG 3.3Å; Q349-N397 PolarHBondContact NE2-ND2 3.33Å; Q349-N397 PolarHBondContact NE2-O 2.94Å; Q349-N397 PolarHBondContact NE2-OD1 2.68Å |
| 350 | L | 82 | Confident | 81.1 | Confident | 44 Ų | 44 | 30.9 Ų | 30.9 | 23% | 0.23 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.8 | -44.9 | 179.2 | -179.6 | 65.9 | 0 | 0 | 0 | 111.1 | N347 A352 S353 V354 T565 I639 | N347-L350 PolarHBondContact O-N 3.23Å; N347-L350 VanDerWaalsContact O-N 3.12Å; L350-A352 VanDerWaalsContact C-N 3.34Å; L350-A352 PolarHBondContact O-N 3.24Å; L350-S353 WeakPolarHBondContact O-CB 3.1Å; L350-S353 PolarHBondContact O-N 3.11Å; L350-V354 VanDerWaalsContact O-CG2 3.32Å; L350-V354 WeakPolarHBondContact O-CG2 3.29Å; L350-V354 PolarHBondContact O-N 3.13Å; L350-T565 HydrophobicContact CB-CG2 4.48Å; L350-T565 HydrophobicContact CD2-CG2 4Å; L350-I639 HydrophobicContact CD2-CG2 4.09Å |
| 351 | I | 82.6 | Confident | 82 | Confident | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.8 | -43.6 | 178.2 | -64.7 | 167.5 | 0 | 0 | 0 | 110.5 | D294 L297 N298 N347 T348 Q349 V354 L355 I639 | D294-I351 HydrophobicContact CB-CD1 3.77Å; L297-I351 HydrophobicContact CB-CG2 3.49Å; L297-I351 VanDerWaalsContact CB-CG2 3.49Å; L297-I351 HydrophobicContact CD1-CG2 4.16Å; L297-I351 HydrophobicContact CG-CG2 4.47Å; N298-I351 WeakPolarHBondContact OD1-CG2 3.14Å; N347-I351 HydrophobicContact CB-CD1 3.92Å; N347-I351 HydrophobicContact CB-CG1 4.42Å; N347-I351 VanDerWaalsContact O-CG1 3.32Å; N347-I351 WeakPolarHBondContact O-CG1 3.38Å; N347-I351 PolarHBondContact O-N 3.5Å; T348-I351 PolarHBondContact O-N 2.97Å; Q349-I351 VanDerWaalsContact C-N 3.35Å; Q349-I351 PolarHBondContact O-N 3.32Å; I351-V354 PolarHBondContact O-N 3.12Å; I351-L355 PolarHBondContact O-N 3.13Å; I351-I639 HydrophobicContact CD1-CD1 4.37Å; I351-I639 HydrophobicContact CD1-CG1 4.19Å; I351-I639 HydrophobicContact CG1-CG1 4.02Å |
| 352 | A | 86.6 | Confident | 82.6 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.2 | -41.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L297 I328 C332 T348 Q349 L350 L355 L356 | L297-A352 HydrophobicContact CD1-CB 4.18Å; I328-A352 HydrophobicContact CG2-CB 4.46Å; C332-A352 HydrophobicContact CB-CB 4.11Å; T348-A352 WeakPolarHBondContact O-CB 3.32Å; T348-A352 PolarHBondContact O-N 3.14Å; Q349-A352 PolarHBondContact O-N 2.87Å; L350-A352 VanDerWaalsContact C-N 3.34Å; L350-A352 PolarHBondContact O-N 3.24Å; A352-L355 WeakPolarHBondContact O-CB 3.4Å; A352-L355 PolarHBondContact O-N 2.77Å; A352-L356 VanDerWaalsContact O-CG 3.28Å; A352-L356 WeakPolarHBondContact O-CG 3.2Å; A352-L356 PolarHBondContact O-N 3.24Å |
| 353 | S | 86.4 | Confident | 82.7 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.007 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.7 | -41.8 | 175 | -70.5 | 0 | 0 | 0 | 0 | 112.8 | Q349 L350 L356 N357 G401 G405 | Q349-S353 WeakPolarHBondContact O-CB 3.36Å; Q349-S353 PolarHBondContact O-N 3.41Å; Q349-S353 PolarHBondContact O-OG 2.79Å; L350-S353 WeakPolarHBondContact O-CB 3.1Å; L350-S353 PolarHBondContact O-N 3.11Å; S353-L356 PolarHBondContact O-N 3.11Å; S353-N357 PolarHBondContact O-N 3.34Å; S353-G401 WeakPolarHBondContact CB-O 3.32Å; S353-G401 VanDerWaalsContact OG-C 3.25Å; S353-G401 VanDerWaalsContact OG-CA 3.24Å; S353-G401 WeakPolarHBondContact OG-CA 3.28Å; S353-G401 PolarHBondContact OG-O 3.49Å; S353-G405 WeakPolarHBondContact O-CA 3.35Å |
| 354 | V | 83.9 | Confident | 82.7 | Confident | 23 Ų | 23 | 30 Ų | 30 | 14% | 0.139 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.4 | -42.5 | 175 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | T301 L350 I351 N357 K358 T641 | T301-V354 HydrophobicContact CG2-CG1 4.09Å; L350-V354 VanDerWaalsContact O-CG2 3.32Å; L350-V354 WeakPolarHBondContact O-CG2 3.29Å; L350-V354 PolarHBondContact O-N 3.13Å; I351-V354 PolarHBondContact O-N 3.12Å; V354-N357 PolarHBondContact O-N 2.93Å; V354-K358 PolarHBondContact O-N 3.4Å; V354-T641 HydrophobicContact CG2-CG2 4.36Å |
| 355 | L | 85.3 | Confident | 82.8 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.5 | -49.4 | 173.6 | 176.3 | 59 | 0 | 0 | 0 | 111.3 | L297 L300 T301 I328 I351 A352 N357 K358 L359 | L297-L355 HydrophobicContact CD2-CD2 3.73Å; L300-L355 HydrophobicContact CB-CD1 3.97Å; L300-L355 HydrophobicContact CB-CD2 4.06Å; L300-L355 HydrophobicContact CD1-CD2 4.32Å; T301-L355 WeakPolarHBondContact OG1-CB 3.3Å; I328-L355 HydrophobicContact CD1-CD2 3.72Å; I328-L355 HydrophobicContact CD1-CG 4.38Å; I328-L355 HydrophobicContact CG1-CD2 4.13Å; I328-L355 HydrophobicContact CG2-CD2 4.18Å; I351-L355 PolarHBondContact O-N 3.13Å; A352-L355 WeakPolarHBondContact O-CB 3.4Å; A352-L355 PolarHBondContact O-N 2.77Å; L355-N357 VanDerWaalsContact C-N 3.3Å; L355-N357 PolarHBondContact O-N 3.49Å; L355-K358 PolarHBondContact O-N 3.32Å; L355-L359 HydrophobicContact CD1-CD1 4.03Å; L355-L359 HydrophobicContact CD1-CD2 4.47Å; L355-L359 HydrophobicContact CD1-CG 4.02Å; L355-L359 HydrophobicContact CG-CD1 4Å; L355-L359 HydrophobicContact CG-CG 4.4Å; L355-L359 VanDerWaalsContact O-CG 3.29Å; L355-L359 WeakPolarHBondContact O-CG 3.49Å; L355-L359 PolarHBondContact O-N 2.95Å |
| 356 | L | 88 | Confident | 83 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.2 | -40.6 | 178.2 | -70.1 | 168 | 0 | 0 | 0 | 111.9 | L325 I328 L329 A352 S353 Y360 F372 L402 P406 | L325-L356 HydrophobicContact CD1-CD2 3.42Å; L325-L356 VanDerWaalsContact CD1-CD2 3.42Å; I328-L356 HydrophobicContact CG2-CD1 4.39Å; I328-L356 HydrophobicContact CG2-CD2 3.84Å; I328-L356 HydrophobicContact CG2-CG 3.93Å; L329-L356 HydrophobicContact CD2-CD1 4.06Å; L329-L356 HydrophobicContact CD2-CD2 4.31Å; A352-L356 VanDerWaalsContact O-CG 3.28Å; A352-L356 WeakPolarHBondContact O-CG 3.2Å; A352-L356 PolarHBondContact O-N 3.24Å; S353-L356 PolarHBondContact O-N 3.11Å; L356-Y360 WeakPolarHBondContact O-CB 3.05Å; L356-Y360 PolarHBondContact O-N 3.31Å; L356-F372 HydrophobicContact CD2-CZ 4.12Å; L356-L402 HydrophobicContact CD1-CD2 4.02Å; L356-P406 HydrophobicContact CB-CG 4.23Å |
| 357 | N | 86.5 | Confident | 83.6 | Confident | 45 Ų | 45 | 36.3 Ų | 36.3 | 24% | 0.241 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.8 | -46.7 | 176.9 | -170.2 | 56.9 | 0 | 0 | 0 | 111.8 | S353 V354 L355 L359 Y360 E361 G405 | S353-N357 PolarHBondContact O-N 3.34Å; V354-N357 PolarHBondContact O-N 2.93Å; L355-N357 VanDerWaalsContact C-N 3.3Å; L355-N357 PolarHBondContact O-N 3.49Å; N357-L359 VanDerWaalsContact C-N 3.35Å; N357-L359 PolarHBondContact O-N 3.33Å; N357-Y360 PolarHBondContact O-N 2.94Å; N357-E361 PolarHBondContact ND2-OE1 2.97Å; N357-E361 WeakPolarHBondContact O-CG 3.41Å; N357-E361 PolarHBondContact O-N 2.96Å; N357-G405 PolarHBondContact OD1-O 2.99Å |
| 358 | K | 82.8 | Confident | 83.9 | Confident | 69 Ų | 69 | 37.6 Ų | 37.6 | 30% | 0.3 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64 | -39.4 | 178.5 | -70.3 | -162.1 | -170.7 | -179.1 | 0 | 112.5 | T301 P305 V354 L355 Y360 E361 D362 | T301-K358 HydrophobicContact CG2-CD 3.59Å; T301-K358 HydrophobicContact CG2-CG 4.45Å; P305-K358 HydrophobicContact CG-CB 3.86Å; P305-K358 HydrophobicContact CG-CD 4.37Å; V354-K358 PolarHBondContact O-N 3.4Å; L355-K358 PolarHBondContact O-N 3.32Å; K358-Y360 VanDerWaalsContact C-N 3.32Å; K358-E361 PolarHBondContact O-N 3.33Å; K358-D362 WeakPolarHBondContact O-CB 3.33Å; K358-D362 PolarHBondContact O-N 3.28Å; K358-D362 VanDerWaalsContact O-N 3.09Å |
| 359 | L | 85.1 | Confident | 84.1 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.5 | -42.4 | 174.3 | -69.7 | 174.1 | 0 | 0 | 0 | 111 | V304 T317 T320 I328 L355 N357 L363 | V304-L359 HydrophobicContact CB-CD2 4.36Å; V304-L359 HydrophobicContact CG1-CD2 3.64Å; T317-L359 HydrophobicContact CG2-CD2 4.01Å; T320-L359 HydrophobicContact CG2-CD1 4.5Å; T320-L359 HydrophobicContact CG2-CD2 4.45Å; I328-L359 HydrophobicContact CD1-CD1 4.11Å; L355-L359 HydrophobicContact CD1-CD1 4.03Å; L355-L359 HydrophobicContact CD1-CD2 4.47Å; L355-L359 HydrophobicContact CD1-CG 4.02Å; L355-L359 HydrophobicContact CG-CD1 4Å; L355-L359 HydrophobicContact CG-CG 4.4Å; L355-L359 VanDerWaalsContact O-CG 3.29Å; L355-L359 WeakPolarHBondContact O-CG 3.49Å; L355-L359 PolarHBondContact O-N 2.95Å; N357-L359 VanDerWaalsContact C-N 3.35Å; N357-L359 PolarHBondContact O-N 3.33Å; L359-L363 WeakPolarHBondContact O-CG 3.29Å |
| 360 | Y | 85.1 | Confident | 84.2 | Confident | 17 Ų | 17 | 41.9 Ų | 41.9 | 7% | 0.067 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.5 | -39.6 | 178.5 | -175.1 | -100.6 | 0 | 0 | 0 | 113 | L356 N357 K358 D362 L363 R369 F372 K373 P406 E408 V409 | L356-Y360 WeakPolarHBondContact O-CB 3.05Å; L356-Y360 PolarHBondContact O-N 3.31Å; N357-Y360 PolarHBondContact O-N 2.94Å; K358-Y360 VanDerWaalsContact C-N 3.32Å; Y360-D362 VanDerWaalsContact C-N 3.3Å; Y360-D362 PolarHBondContact O-N 3.49Å; Y360-L363 HydrophobicContact CD2-CD1 4.32Å; Y360-L363 WeakPolarHBondContact O-CB 3.45Å; Y360-L363 PolarHBondContact O-N 3.38Å; Y360-R369 HydrophobicContact CE2-CB 4.25Å; Y360-R369 HydrophobicContact CE2-CG 4.22Å; Y360-F372 AromaticContact CD2-CD1 3.83Å; Y360-F372 HydrophobicContact CD2-CD1 3.83Å; Y360-F372 HydrophobicContact CD2-CE1 4.12Å; Y360-F372 HydrophobicContact CD2-CG 4.24Å; Y360-F372 HydrophobicContact CE2-CD1 4.42Å; Y360-K373 WeakPolarHBondContact OH-CE 3.33Å; Y360-P406 HydrophobicContact CD1-CB 4.1Å; Y360-P406 HydrophobicContact CG-CB 3.96Å; Y360-E408 PolarHBondContact OH-OE2 3.16Å; Y360-E408 VanDerWaalsContact OH-OE2 3.06Å; Y360-V409 HydrophobicContact CD2-CG2 3.88Å; Y360-V409 HydrophobicContact CE2-CG2 3.48Å; Y360-V409 VanDerWaalsContact CE2-CG2 3.48Å |
| 361 | E | 82.8 | Confident | 84.5 | Confident | 102 Ų | 102 | 42.8 Ų | 42.8 | 48% | 0.477 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66.9 | -29 | 176.6 | -76.8 | -173.5 | -161.9 | 0 | 0 | 113.4 | N357 K358 L363 | N357-E361 PolarHBondContact ND2-OE1 2.97Å; N357-E361 WeakPolarHBondContact O-CG 3.41Å; N357-E361 PolarHBondContact O-N 2.96Å; K358-E361 PolarHBondContact O-N 3.33Å; E361-L363 VanDerWaalsContact C-N 3.28Å |
| 362 | D | 81.7 | Confident | 84.8 | Confident | 13 Ų | 13 | 42.7 Ų | 42.7 | 7% | 0.07 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -75.1 | -17.4 | 176.9 | -163.8 | 60.7 | 0 | 0 | 0 | 112.4 | P305 S306 H314 T317 K358 Y360 K364 | P305-D362 HydrophobicContact CB-CB 4.4Å; S306-D362 WeakPolarHBondContact CB-OD1 3.31Å; S306-D362 PolarHBondContact N-OD1 3.49Å; S306-D362 PolarHBondContact OG-OD1 3.05Å; H314-D362 PolarHBondContact CD2-O 3.15Å; H314-D362 IonicContact CD2-OD1 3.8Å; H314-D362 IonicContact CD2-OD2 2.75Å; T317-D362 WeakPolarHBondContact CB-OD2 3.49Å; T317-D362 HydrophobicContact CG2-CB 4.23Å; T317-D362 PolarHBondContact OG1-OD2 3.49Å; K358-D362 WeakPolarHBondContact O-CB 3.33Å; K358-D362 PolarHBondContact O-N 3.28Å; K358-D362 VanDerWaalsContact O-N 3.09Å; Y360-D362 VanDerWaalsContact C-N 3.3Å; Y360-D362 PolarHBondContact O-N 3.49Å; D362-K364 PolarHBondContact O-N 3.18Å |
| 363 | L | 82.8 | Confident | 84.8 | Confident | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | trans | -70.6 | 121 | 174.3 | -62.5 | 178.8 | 0 | 0 | 0 | 110.9 | T317 I321 L359 Y360 E361 E368 R369 F372 | T317-L363 HydrophobicContact CG2-CD2 4.34Å; I321-L363 HydrophobicContact CD1-CD1 4.26Å; I321-L363 HydrophobicContact CD1-CD2 3.62Å; I321-L363 HydrophobicContact CD1-CG 4.29Å; L359-L363 WeakPolarHBondContact O-CG 3.29Å; Y360-L363 HydrophobicContact CD2-CD1 4.32Å; Y360-L363 WeakPolarHBondContact O-CB 3.45Å; Y360-L363 PolarHBondContact O-N 3.38Å; E361-L363 VanDerWaalsContact C-N 3.28Å; L363-E368 HydrophobicContact CD2-CB 3.97Å; L363-R369 HydrophobicContact CB-CG 3.75Å; L363-R369 HydrophobicContact CD1-CG 4.13Å; L363-R369 PolarHBondContact O-NE 3.42Å; L363-R369 PolarHBondContact O-NH2 2.92Å; L363-F372 HydrophobicContact CD1-CB 3.83Å; L363-F372 HydrophobicContact CD1-CD2 4.19Å; L363-F372 HydrophobicContact CD1-CG 4.19Å | ||
| 364 | K | 78.5 | Confident | 84.9 | Confident | 95 Ų | 95 | 51.3 Ų | 51.3 | 41% | 0.413 | 27% | 0.265 | S | S | . | . | trans | -96.3 | -33.6 | -177 | -70.2 | -176.3 | 175.5 | 164.1 | 0 | 112.8 | K309 G311 H314 D362 E368 | K309-K364 WeakPolarHBondContact O-CE 3.43Å; K309-K364 PolarHBondContact O-NZ 3.06Å; G311-K364 PolarHBondContact O-NZ 2.87Å; H314-K364 VanDerWaalsContact CE1-CD 3.44Å; H314-K364 WeakPolarHBondContact CE1-CD 2.92Å; H314-K364 VanDerWaalsContact CE1-CE 3.44Å; H314-K364 WeakPolarHBondContact CE1-CE 3.33Å; H314-K364 PolarHBondContact CE1-NZ 3.37Å; H314-K364 WeakPolarHBondContact NE2-CD 3.48Å; H314-K364 WeakPolarHBondContact NE2-CE 3.32Å; H314-K364 PolarHBondContact NE2-NZ 3.42Å; D362-K364 PolarHBondContact O-N 3.18Å; K364-E368 PolarHBondContact N-OE2 3.08Å | ||
| 365 | C | 81.6 | Confident | 85.2 | Confident | 60 Ų | 60 | 51.2 Ų | 51.2 | 41% | 0.405 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -98 | 143.1 | -173.1 | -51.9 | 0 | 0 | 0 | 0 | 112 | E368 R369 | C365-E368 HydrophobicContact CB-CB 4.44Å; C365-E368 HydrophobicContact CB-CG 3.91Å; C365-E368 PolarHBondContact N-OE2 2.91Å; C365-E368 VanDerWaalsContact N-OE2 3.14Å; C365-E368 WeakPolarHBondContact O-CB 3.37Å; C365-E368 PolarHBondContact O-N 2.86Å; C365-R369 PolarHBondContact O-N 3.44Å; C365-R369 VanDerWaalsContact O-N 3.15Å |
| 366 | D | 84.4 | Confident | 85.3 | Confident | 125 Ų | 125 | 51.2 Ų | 51.2 | 67% | 0.668 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -59.6 | -40.2 | 176.1 | -68.9 | -35.1 | 0 | 0 | 0 | 113.7 | E368 R369 A370 | D366-E368 VanDerWaalsContact C-N 3.32Å; D366-E368 PolarHBondContact O-N 3.33Å; D366-R369 PolarHBondContact O-N 3.32Å; D366-A370 WeakPolarHBondContact O-CB 3.42Å; D366-A370 PolarHBondContact O-N 3.18Å |
| 367 | P | 84.6 | Confident | 85.3 | Confident | 99 Ų | 99 | 52.6 Ų | 52.6 | 64% | 0.643 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -61.6 | -36 | 174.7 | -25.1 | 35.4 | 0 | 0 | 0 | 113.7 | A370 N371 | P367-A370 WeakPolarHBondContact O-CB 3.17Å; P367-A370 PolarHBondContact O-N 3.18Å; P367-N371 PolarHBondContact O-N 3.09Å |
| 368 | E | 83.6 | Confident | 85.4 | Confident | 48 Ų | 48 | 54.9 Ų | 54.9 | 22% | 0.224 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.5 | -42.5 | 177.4 | -61.9 | 165.8 | 173.8 | 0 | 0 | 110.7 | L318 L363 K364 C365 D366 A370 N371 F372 | L318-E368 HydrophobicContact CD2-CG 4.19Å; L363-E368 HydrophobicContact CD2-CB 3.97Å; K364-E368 PolarHBondContact N-OE2 3.08Å; C365-E368 HydrophobicContact CB-CB 4.44Å; C365-E368 HydrophobicContact CB-CG 3.91Å; C365-E368 PolarHBondContact N-OE2 2.91Å; C365-E368 VanDerWaalsContact N-OE2 3.14Å; C365-E368 WeakPolarHBondContact O-CB 3.37Å; C365-E368 PolarHBondContact O-N 2.86Å; D366-E368 VanDerWaalsContact C-N 3.32Å; D366-E368 PolarHBondContact O-N 3.33Å; E368-A370 VanDerWaalsContact C-N 3.29Å; E368-A370 PolarHBondContact O-N 2.78Å; E368-N371 PolarHBondContact O-N 3.43Å; E368-F372 PolarHBondContact O-N 3.36Å |
| 369 | R | 86 | Confident | 85.7 | Confident | 79 Ų | 79 | 52.8 Ų | 52.8 | 30% | 0.298 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.7 | -35 | 174.5 | -68 | 179.3 | 178.5 | -174 | -1.9 | 111.9 | Y360 L363 C365 D366 K373 | Y360-R369 HydrophobicContact CE2-CB 4.25Å; Y360-R369 HydrophobicContact CE2-CG 4.22Å; L363-R369 HydrophobicContact CB-CG 3.75Å; L363-R369 HydrophobicContact CD1-CG 4.13Å; L363-R369 PolarHBondContact O-NE 3.42Å; L363-R369 PolarHBondContact O-NH2 2.92Å; C365-R369 PolarHBondContact O-N 3.44Å; C365-R369 VanDerWaalsContact O-N 3.15Å; D366-R369 PolarHBondContact O-N 3.32Å; R369-K373 VanDerWaalsContact O-CG 3.31Å; R369-K373 WeakPolarHBondContact O-CG 3.39Å; R369-K373 PolarHBondContact O-N 3.05Å; R369-K373 VanDerWaalsContact O-N 3.12Å |
| 370 | A | 86.9 | Confident | 85.7 | Confident | 53 Ų | 53 | 52.8 Ų | 52.8 | 44% | 0.438 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.9 | -46.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | D366 P367 E368 F372 K373 E374 | D366-A370 WeakPolarHBondContact O-CB 3.42Å; D366-A370 PolarHBondContact O-N 3.18Å; P367-A370 WeakPolarHBondContact O-CB 3.17Å; P367-A370 PolarHBondContact O-N 3.18Å; E368-A370 VanDerWaalsContact C-N 3.29Å; E368-A370 PolarHBondContact O-N 2.78Å; A370-F372 VanDerWaalsContact C-N 3.34Å; A370-F372 PolarHBondContact O-N 3.09Å; A370-K373 WeakPolarHBondContact O-CB 3.48Å; A370-K373 PolarHBondContact O-N 3.02Å; A370-K373 VanDerWaalsContact O-N 3.16Å; A370-E374 WeakPolarHBondContact O-CB 3.38Å; A370-E374 PolarHBondContact O-N 3.16Å |
| 371 | N | 88.6 | Confident | 85.7 | Confident | 64 Ų | 64 | 57.7 Ų | 57.7 | 34% | 0.342 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.4 | -44.6 | 175.4 | -177.2 | 40.7 | 0 | 0 | 0 | 111.8 | P367 E368 K373 E374 I375 | P367-N371 PolarHBondContact O-N 3.09Å; E368-N371 PolarHBondContact O-N 3.43Å; N371-K373 VanDerWaalsContact C-N 3.33Å; N371-K373 PolarHBondContact O-N 3.41Å; N371-E374 PolarHBondContact O-N 2.97Å; N371-I375 WeakPolarHBondContact O-CG1 3.42Å; N371-I375 PolarHBondContact O-N 2.86Å |
| 372 | F | 88.7 | Confident | 85.9 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.9 | -45.3 | 175.5 | -174.1 | -80.9 | 0 | 0 | 0 | 112.1 | I321 L325 L356 Y360 L363 E368 A370 C376 P406 V409 | I321-F372 HydrophobicContact CD1-CD2 4.16Å; I321-F372 HydrophobicContact CG1-CD2 4.31Å; I321-F372 HydrophobicContact CG2-CD2 4.44Å; L325-F372 HydrophobicContact CD1-CD2 4.35Å; L325-F372 HydrophobicContact CD1-CE2 3.57Å; L325-F372 HydrophobicContact CD1-CZ 3.84Å; L325-F372 HydrophobicContact CD2-CD2 3.62Å; L325-F372 HydrophobicContact CD2-CE2 3.71Å; L325-F372 HydrophobicContact CD2-CG 4.15Å; L325-F372 HydrophobicContact CD2-CZ 4.29Å; L325-F372 HydrophobicContact CG-CE2 4.32Å; L356-F372 HydrophobicContact CD2-CZ 4.12Å; Y360-F372 AromaticContact CD2-CD1 3.83Å; Y360-F372 HydrophobicContact CD2-CD1 3.83Å; Y360-F372 HydrophobicContact CD2-CE1 4.12Å; Y360-F372 HydrophobicContact CD2-CG 4.24Å; Y360-F372 HydrophobicContact CE2-CD1 4.42Å; L363-F372 HydrophobicContact CD1-CB 3.83Å; L363-F372 HydrophobicContact CD1-CD2 4.19Å; L363-F372 HydrophobicContact CD1-CG 4.19Å; E368-F372 PolarHBondContact O-N 3.36Å; A370-F372 VanDerWaalsContact C-N 3.34Å; A370-F372 PolarHBondContact O-N 3.09Å; F372-C376 PolarHBondContact O-N 3.3Å; F372-C376 VanDerWaalsContact O-N 3.15Å; F372-C376 PolarHBondContact O-SG 3.43Å; F372-P406 HydrophobicContact CE1-CG 4.41Å; F372-V409 HydrophobicContact CD1-CG2 4.24Å; F372-V409 HydrophobicContact CE1-CG2 4.3Å |
| 373 | K | 87.8 | Confident | 85.9 | Confident | 75 Ų | 75 | 59.4 Ų | 59.4 | 33% | 0.326 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 176.6 | -74.9 | 171.8 | -177.4 | 177.6 | 0 | 111.5 | Y360 R369 A370 N371 C376 D377 V409 | Y360-K373 WeakPolarHBondContact OH-CE 3.33Å; R369-K373 VanDerWaalsContact O-CG 3.31Å; R369-K373 WeakPolarHBondContact O-CG 3.39Å; R369-K373 PolarHBondContact O-N 3.05Å; R369-K373 VanDerWaalsContact O-N 3.12Å; A370-K373 WeakPolarHBondContact O-CB 3.48Å; A370-K373 PolarHBondContact O-N 3.02Å; A370-K373 VanDerWaalsContact O-N 3.16Å; N371-K373 VanDerWaalsContact C-N 3.33Å; N371-K373 PolarHBondContact O-N 3.41Å; K373-C376 PolarHBondContact O-N 2.84Å; K373-D377 WeakPolarHBondContact O-CB 3.4Å; K373-D377 PolarHBondContact O-N 3.43Å; K373-V409 HydrophobicContact CG-CB 4.48Å; K373-V409 HydrophobicContact CG-CG1 4.11Å; K373-V409 HydrophobicContact CG-CG2 3.85Å |
| 374 | E | 89.1 | Confident | 85.8 | Confident | 107 Ų | 107 | 61.6 Ų | 61.6 | 50% | 0.5 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.3 | -43 | 179.8 | -170 | 176.6 | 173.9 | 0 | 0 | 112 | A370 N371 C376 D377 Q378 | A370-E374 WeakPolarHBondContact O-CB 3.38Å; A370-E374 PolarHBondContact O-N 3.16Å; N371-E374 PolarHBondContact O-N 2.97Å; E374-C376 VanDerWaalsContact C-N 3.32Å; E374-C376 PolarHBondContact O-N 3.37Å; E374-D377 PolarHBondContact O-N 3.16Å; E374-Q378 HydrophobicContact CG-CG 4.43Å; E374-Q378 WeakPolarHBondContact O-CB 3.48Å; E374-Q378 VanDerWaalsContact O-CG 3.29Å; E374-Q378 WeakPolarHBondContact O-CG 3.36Å; E374-Q378 PolarHBondContact O-N 2.99Å; E374-Q378 PolarHBondContact OE1-NE2 3.4Å |
| 375 | I | 88.5 | Confident | 85.8 | Confident | 20 Ų | 20 | 59 Ų | 59 | 10% | 0.103 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62 | -41.6 | 175.7 | -65.2 | 164.6 | 0 | 0 | 0 | 110.9 | I321 L325 K326 N371 Y379 | I321-I375 HydrophobicContact CG2-CD1 4.04Å; L325-I375 HydrophobicContact CB-CG2 4.39Å; L325-I375 HydrophobicContact CD2-CB 3.94Å; L325-I375 HydrophobicContact CD2-CD1 4.23Å; L325-I375 HydrophobicContact CD2-CG2 3.71Å; L325-I375 HydrophobicContact CG-CG2 4.09Å; K326-I375 HydrophobicContact CG-CG2 4.05Å; N371-I375 WeakPolarHBondContact O-CG1 3.42Å; N371-I375 PolarHBondContact O-N 2.86Å; I375-Y379 WeakPolarHBondContact O-CB 3.5Å; I375-Y379 PolarHBondContact O-N 3.03Å |
| 376 | C | 88.8 | Confident | 85.3 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 176.5 | -66.4 | 0 | 0 | 0 | 0 | 111.7 | F372 K373 E374 Y379 I380 V409 L413 | F372-C376 PolarHBondContact O-N 3.3Å; F372-C376 VanDerWaalsContact O-N 3.15Å; F372-C376 PolarHBondContact O-SG 3.43Å; K373-C376 PolarHBondContact O-N 2.84Å; E374-C376 VanDerWaalsContact C-N 3.32Å; E374-C376 PolarHBondContact O-N 3.37Å; C376-Y379 PolarHBondContact O-N 3.07Å; C376-I380 WeakPolarHBondContact O-CG1 3.43Å; C376-I380 PolarHBondContact O-N 2.98Å; C376-V409 HydrophobicContact CB-CG1 4.23Å; C376-L413 HydrophobicContact CB-CD1 4.27Å |
| 377 | D | 87.6 | Confident | 84.8 | Confident | 29 Ų | 29 | 63 Ų | 63 | 16% | 0.155 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.4 | -50.5 | 177.6 | -179.1 | 49.2 | 0 | 0 | 0 | 111.8 | K373 E374 Y379 I380 K381 L413 Q416 | K373-D377 WeakPolarHBondContact O-CB 3.4Å; K373-D377 PolarHBondContact O-N 3.43Å; E374-D377 PolarHBondContact O-N 3.16Å; D377-Y379 VanDerWaalsContact C-N 3.26Å; D377-Y379 PolarHBondContact O-N 3.18Å; D377-I380 PolarHBondContact O-N 3.04Å; D377-K381 WeakPolarHBondContact O-CB 3.37Å; D377-K381 WeakPolarHBondContact O-CG 3.29Å; D377-K381 PolarHBondContact O-N 3.02Å; D377-K381 WeakPolarHBondContact OD1-CE 3.39Å; D377-K381 IonicContact OD1-NZ 3.17Å; D377-K381 PolarHBondContact OD1-NZ 3.36Å; D377-K381 WeakPolarHBondContact OD2-CE 3.34Å; D377-K381 IonicContact OD2-NZ 2.73Å; D377-K381 PolarHBondContact OD2-NZ 3.48Å; D377-L413 HydrophobicContact CB-CD2 4.02Å; D377-Q416 PolarHBondContact OD1-NE2 3.39Å; D377-Q416 PolarHBondContact OD1-OE1 2.87Å |
| 378 | Q | 88.4 | Confident | 84.5 | Confident | 93 Ų | 93 | 61 Ų | 61 | 44% | 0.435 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.1 | -39.9 | 175.5 | -71.3 | 178 | 7.9 | 0 | 0 | 111.7 | E374 S382 | E374-Q378 HydrophobicContact CG-CG 4.43Å; E374-Q378 WeakPolarHBondContact O-CB 3.48Å; E374-Q378 VanDerWaalsContact O-CG 3.29Å; E374-Q378 WeakPolarHBondContact O-CG 3.36Å; E374-Q378 PolarHBondContact O-N 2.99Å; E374-Q378 PolarHBondContact OE1-NE2 3.4Å; Q378-S382 WeakPolarHBondContact O-CB 3.41Å; Q378-S382 PolarHBondContact O-N 3.31Å |
| 379 | Y | 88.6 | Confident | 84.2 | Confident | 25 Ų | 25 | 62.3 Ų | 62.3 | 10% | 0.098 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.8 | -49.7 | 177.6 | -175.4 | -92.5 | 0 | 0 | 0 | 111.8 | K326 L329 K330 I375 C376 D377 S382 K383 T398 | K326-Y379 HydrophobicContact CB-CD2 4.36Å; K326-Y379 HydrophobicContact CG-CD2 4.39Å; L329-Y379 HydrophobicContact CB-CD1 3.96Å; L329-Y379 HydrophobicContact CB-CD2 4.5Å; L329-Y379 HydrophobicContact CB-CE1 3.91Å; L329-Y379 HydrophobicContact CB-CE2 4.44Å; L329-Y379 HydrophobicContact CB-CG 4.27Å; L329-Y379 HydrophobicContact CD1-CD1 4.13Å; L329-Y379 HydrophobicContact CD1-CG 3.96Å; K330-Y379 WeakPolarHBondContact CA-OH 3.41Å; K330-Y379 WeakPolarHBondContact CB-OH 3.41Å; I375-Y379 WeakPolarHBondContact O-CB 3.5Å; I375-Y379 PolarHBondContact O-N 3.03Å; C376-Y379 PolarHBondContact O-N 3.07Å; D377-Y379 VanDerWaalsContact C-N 3.26Å; D377-Y379 PolarHBondContact O-N 3.18Å; Y379-S382 PolarHBondContact O-N 3.46Å; Y379-S382 PolarHBondContact O-OG 2.84Å; Y379-K383 HydrophobicContact CD1-CG 4.42Å; Y379-K383 HydrophobicContact CE1-CG 3.98Å; Y379-K383 WeakPolarHBondContact O-CG 3.46Å; Y379-K383 PolarHBondContact O-N 3.33Å; Y379-K383 WeakPolarHBondContact OH-CE 3.25Å; Y379-T398 HydrophobicContact CD1-CG2 4.39Å; Y379-T398 HydrophobicContact CE1-CG2 4.27Å |
| 380 | I | 86.3 | Confident | 83.9 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.9 | -45.3 | -179.2 | -70.9 | 165.5 | 0 | 0 | 0 | 110.7 | C376 D377 S382 K383 I384 M399 L402 L413 | C376-I380 WeakPolarHBondContact O-CG1 3.43Å; C376-I380 PolarHBondContact O-N 2.98Å; D377-I380 PolarHBondContact O-N 3.04Å; I380-S382 VanDerWaalsContact C-N 3.25Å; I380-S382 PolarHBondContact O-N 2.95Å; I380-K383 PolarHBondContact O-N 3.44Å; I380-I384 HydrophobicContact CG2-CD1 3.62Å; I380-I384 HydrophobicContact CG2-CG1 4.21Å; I380-I384 WeakPolarHBondContact O-CG1 3.42Å; I380-I384 PolarHBondContact O-N 2.74Å; I380-M399 HydrophobicContact CD1-CG 3.75Å; I380-M399 HydrophobicContact CG1-CG 4.47Å; I380-M399 HydrophobicContact CG2-SD 4.43Å; I380-L402 HydrophobicContact CD1-CD1 4.03Å; I380-L413 HydrophobicContact CD1-CB 4.32Å; I380-L413 HydrophobicContact CD1-CD1 3.49Å; I380-L413 VanDerWaalsContact CD1-CD1 3.49Å; I380-L413 HydrophobicContact CD1-CD2 4Å; I380-L413 HydrophobicContact CD1-CG 4.13Å |
| 381 | K | 85.3 | Confident | 83.7 | Confident | 120 Ų | 120 | 62.6 Ų | 62.6 | 52% | 0.522 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -57.4 | -37.5 | 175 | -74.7 | 173.4 | 176.4 | 165.9 | 0 | 112.6 | D377 K383 | D377-K381 WeakPolarHBondContact O-CB 3.37Å; D377-K381 WeakPolarHBondContact O-CG 3.29Å; D377-K381 PolarHBondContact O-N 3.02Å; D377-K381 WeakPolarHBondContact OD1-CE 3.39Å; D377-K381 IonicContact OD1-NZ 3.17Å; D377-K381 PolarHBondContact OD1-NZ 3.36Å; D377-K381 WeakPolarHBondContact OD2-CE 3.34Å; D377-K381 IonicContact OD2-NZ 2.73Å; D377-K381 PolarHBondContact OD2-NZ 3.48Å; K381-K383 PolarHBondContact O-N 3.05Å |
| 382 | S | 85.9 | Confident | 83.4 | Confident | 82 Ų | 82 | 59.8 Ų | 59.8 | 57% | 0.573 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -69.3 | -17.6 | 176.5 | 79.7 | 0 | 0 | 0 | 0 | 114.3 | Q378 Y379 I380 | Q378-S382 WeakPolarHBondContact O-CB 3.41Å; Q378-S382 PolarHBondContact O-N 3.31Å; Y379-S382 PolarHBondContact O-N 3.46Å; Y379-S382 PolarHBondContact O-OG 2.84Å; I380-S382 VanDerWaalsContact C-N 3.25Å; I380-S382 PolarHBondContact O-N 2.95Å |
| 383 | K | 82.7 | Confident | 83.2 | Confident | 69 Ų | 69 | 59.8 Ų | 59.8 | 30% | 0.3 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -102.6 | -21.7 | -177.9 | -66.3 | -59.6 | -177.1 | -175.6 | 0 | 113.4 | Y379 I380 K381 D385 K391 A395 | Y379-K383 HydrophobicContact CD1-CG 4.42Å; Y379-K383 HydrophobicContact CE1-CG 3.98Å; Y379-K383 WeakPolarHBondContact O-CG 3.46Å; Y379-K383 PolarHBondContact O-N 3.33Å; Y379-K383 WeakPolarHBondContact OH-CE 3.25Å; I380-K383 PolarHBondContact O-N 3.44Å; K381-K383 PolarHBondContact O-N 3.05Å; K383-D385 PolarHBondContact O-N 3.15Å; K383-K391 CarbonylContact O-C 3.53Å; K383-K391 VanDerWaalsContact O-C 3.3Å; K383-K391 VanDerWaalsContact O-CB 3.26Å; K383-K391 WeakPolarHBondContact O-CB 3.04Å; K383-A395 HydrophobicContact CB-CB 3.91Å |
| 384 | I | 81.1 | Confident | 83.1 | Confident | 50 Ų | 50 | 58.4 Ų | 58.4 | 26% | 0.256 | 30% | 0.3 | S | S | . | . | trans | -71.7 | 116.6 | 173.3 | -66.3 | 163.7 | 0 | 0 | 0 | 108.4 | I380 A395 M422 | I380-I384 HydrophobicContact CG2-CD1 3.62Å; I380-I384 HydrophobicContact CG2-CG1 4.21Å; I380-I384 WeakPolarHBondContact O-CG1 3.42Å; I380-I384 PolarHBondContact O-N 2.74Å; I384-A395 HydrophobicContact CG1-CB 4.01Å; I384-M422 HydrophobicContact CD1-CE 3.86Å; I384-M422 HydrophobicContact CG1-CE 4.11Å; I384-M422 HydrophobicContact CG1-SD 4.46Å; I384-M422 HydrophobicContact CG2-CE 4.11Å; I384-M422 HydrophobicContact CG2-SD 3.67Å | ||
| 385 | D | 78.3 | Confident | 83 | Confident | 39 Ų | 39 | 53.3 Ų | 53.3 | 21% | 0.209 | 28% | 0.277 | C | S | . | . | trans | -139.9 | 109.7 | 179.9 | -172.7 | -13.6 | 0 | 0 | 0 | 108.2 | K383 N387 N388 K391 T392 | K383-D385 PolarHBondContact O-N 3.15Å; D385-N387 PolarHBondContact O-N 3.18Å; D385-N387 VanDerWaalsContact O-N 3.12Å; D385-N387 PolarHBondContact OD1-N 3.37Å; D385-N387 VanDerWaalsContact OD1-N 3.14Å; D385-N388 HydrophobicContact CB-CB 4.18Å; D385-N388 CarbonylContact O-C 3.21Å; D385-N388 PolarHBondContact O-N 3.1Å; D385-N388 VanDerWaalsContact O-N 3.08Å; D385-K391 HydrophobicContact CB-CB 4.46Å; D385-K391 HydrophobicContact CB-CD 4.06Å; D385-K391 IonicContact OD2-NZ 2.85Å; D385-K391 PolarHBondContact OD2-NZ 2.91Å; D385-T392 PolarHBondContact N-OG1 3.26Å; D385-T392 PolarHBondContact O-OG1 2.92Å | ||
| 386 | P | 71.1 | Confident | 82.9 | Confident | 112 Ų | 112 | 52.4 Ų | 52.4 | 73% | 0.727 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -24.2 | -179.3 | -23.4 | 33 | 0 | 0 | 0 | 113.5 | ||
| 387 | N | 73 | Confident | 82.9 | Confident | 157 Ų | 157 | 52.8 Ų | 52.8 | 84% | 0.84 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -12.2 | -178.4 | -64.1 | -31.5 | 0 | 0 | 0 | 112.9 | D385 | D385-N387 PolarHBondContact O-N 3.18Å; D385-N387 VanDerWaalsContact O-N 3.12Å; D385-N387 PolarHBondContact OD1-N 3.37Å; D385-N387 VanDerWaalsContact OD1-N 3.14Å |
| 388 | N | 79.4 | Confident | 82.9 | Confident | 58 Ų | 58 | 51.4 Ų | 51.4 | 31% | 0.31 | 27% | 0.267 | S | S | . | . | trans | -129.7 | 95.1 | -178.9 | -170 | -39.8 | 0 | 0 | 0 | 110.8 | D385 D390 K391 T392 | D385-N388 HydrophobicContact CB-CB 4.18Å; D385-N388 CarbonylContact O-C 3.21Å; D385-N388 PolarHBondContact O-N 3.1Å; D385-N388 VanDerWaalsContact O-N 3.08Å; N388-D390 PolarHBondContact O-N 3.27Å; N388-D390 PolarHBondContact OD1-N 2.88Å; N388-D390 VanDerWaalsContact OD1-N 3.13Å; N388-K391 HydrophobicContact CB-CB 4.4Å; N388-K391 HydrophobicContact CB-CD 4.14Å; N388-K391 HydrophobicContact CB-CG 4.19Å; N388-K391 PolarHBondContact O-N 3.33Å; N388-K391 PolarHBondContact OD1-N 2.93Å; N388-K391 VanDerWaalsContact OD1-N 3.1Å; N388-T392 PolarHBondContact O-N 3.46Å; N388-T392 PolarHBondContact O-OG1 3.03Å | ||
| 389 | M | 75.5 | Confident | 82.9 | Confident | 76 Ų | 76 | 47.2 Ų | 47.2 | 37% | 0.374 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.8 | -32.6 | -179.6 | -67.5 | -59.5 | -71 | 0 | 0 | 113 | T392 L393 L426 | M389-T392 PolarHBondContact O-N 3.31Å; M389-L393 WeakPolarHBondContact O-CB 3.32Å; M389-L393 PolarHBondContact O-N 2.99Å; M389-L426 HydrophobicContact CE-CD2 3.44Å; M389-L426 VanDerWaalsContact CE-CD2 3.44Å; M389-L426 HydrophobicContact CE-CG 4.32Å |
| 390 | D | 81.3 | Confident | 82.7 | Confident | 53 Ų | 53 | 46 Ų | 46 | 28% | 0.283 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -70.7 | -36.2 | -178.8 | -60.4 | -25.3 | 0 | 0 | 0 | 111.7 | N388 L393 H394 R431 | N388-D390 PolarHBondContact O-N 3.27Å; N388-D390 PolarHBondContact OD1-N 2.88Å; N388-D390 VanDerWaalsContact OD1-N 3.13Å; D390-L393 WeakPolarHBondContact O-CB 3.13Å; D390-L393 PolarHBondContact O-N 3.37Å; D390-H394 PolarHBondContact O-CD2 3.33Å; D390-H394 PolarHBondContact O-N 3.26Å; D390-H394 VanDerWaalsContact O-N 3.1Å; D390-R431 IonicContact OD1-CZ 3.55Å; D390-R431 IonicContact OD1-NH1 3.82Å; D390-R431 PolarHBondContact OD1-NH1 3.06Å; D390-R431 IonicContact OD1-NH2 3.14Å; D390-R431 PolarHBondContact OD1-NH2 3.32Å; D390-R431 VanDerWaalsContact OD1-NH2 3.14Å |
| 391 | K | 81.4 | Confident | 82.7 | Confident | 84 Ų | 84 | 46 Ų | 46 | 37% | 0.365 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67 | -40.6 | 171.9 | -67.5 | -177.1 | -167.7 | 163.2 | 0 | 112 | K383 D385 N388 L393 H394 A395 | K383-K391 CarbonylContact O-C 3.53Å; K383-K391 VanDerWaalsContact O-C 3.3Å; K383-K391 VanDerWaalsContact O-CB 3.26Å; K383-K391 WeakPolarHBondContact O-CB 3.04Å; D385-K391 HydrophobicContact CB-CB 4.46Å; D385-K391 HydrophobicContact CB-CD 4.06Å; D385-K391 IonicContact OD2-NZ 2.85Å; D385-K391 PolarHBondContact OD2-NZ 2.91Å; N388-K391 HydrophobicContact CB-CB 4.4Å; N388-K391 HydrophobicContact CB-CD 4.14Å; N388-K391 HydrophobicContact CB-CG 4.19Å; N388-K391 PolarHBondContact O-N 3.33Å; N388-K391 PolarHBondContact OD1-N 2.93Å; N388-K391 VanDerWaalsContact OD1-N 3.1Å; K391-L393 VanDerWaalsContact C-N 3.28Å; K391-L393 PolarHBondContact O-N 3.15Å; K391-H394 WeakPolarHBondContact O-CB 3.43Å; K391-H394 PolarHBondContact O-N 3.47Å; K391-A395 PolarHBondContact O-N 3.02Å |
| 392 | T | 82.9 | Confident | 82.8 | Confident | 6 Ų | 6 | 40.2 Ų | 40.2 | 4% | 0.037 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.8 | -37.1 | 176.2 | -63.1 | 0 | 0 | 0 | 0 | 111.1 | D385 N388 M389 A395 I396 M422 | D385-T392 PolarHBondContact N-OG1 3.26Å; D385-T392 PolarHBondContact O-OG1 2.92Å; N388-T392 PolarHBondContact O-N 3.46Å; N388-T392 PolarHBondContact O-OG1 3.03Å; M389-T392 PolarHBondContact O-N 3.31Å; T392-A395 WeakPolarHBondContact O-CB 3.3Å; T392-A395 PolarHBondContact O-N 2.82Å; T392-I396 HydrophobicContact CG2-CD1 4.2Å; T392-I396 PolarHBondContact O-N 3.13Å; T392-M422 HydrophobicContact CG2-SD 3.8Å |
| 393 | L | 85.2 | Confident | 82.8 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.4 | -43.6 | 173.5 | -165.5 | 68.1 | 0 | 0 | 0 | 111.7 | V335 L338 M389 D390 K391 A395 I396 N397 V433 V437 | V335-L393 HydrophobicContact CG2-CG 4.42Å; L338-L393 HydrophobicContact CD1-CD2 3.92Å; L338-L393 HydrophobicContact CD2-CD2 4.07Å; L338-L393 HydrophobicContact CG-CD2 4.31Å; M389-L393 WeakPolarHBondContact O-CB 3.32Å; M389-L393 PolarHBondContact O-N 2.99Å; D390-L393 WeakPolarHBondContact O-CB 3.13Å; D390-L393 PolarHBondContact O-N 3.37Å; K391-L393 VanDerWaalsContact C-N 3.28Å; K391-L393 PolarHBondContact O-N 3.15Å; L393-A395 VanDerWaalsContact C-N 3.32Å; L393-A395 PolarHBondContact O-N 2.95Å; L393-I396 PolarHBondContact O-N 3.02Å; L393-N397 WeakPolarHBondContact O-CB 3.47Å; L393-N397 PolarHBondContact O-N 3.48Å; L393-V433 HydrophobicContact CD2-CG1 3.93Å; L393-V437 HydrophobicContact CD1-CB 3.58Å; L393-V437 HydrophobicContact CD1-CG1 3.77Å; L393-V437 HydrophobicContact CD1-CG2 3.81Å; L393-V437 HydrophobicContact CD2-CG2 4.47Å; L393-V437 HydrophobicContact CG-CB 4.39Å; L393-V437 HydrophobicContact CG-CG1 4.36Å; L393-V437 HydrophobicContact CG-CG2 4.17Å |
| 394 | H | 86.1 | Confident | 82.8 | Confident | 45 Ų | 45 | 37 Ų | 37 | 21% | 0.208 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.6 | -37.7 | 173.2 | -71.3 | -53 | 0 | 0 | 0 | 113 | G333 D390 K391 T398 | G333-H394 WeakPolarHBondContact O-CA 3.41Å; G333-H394 PolarHBondContact O-ND1 3.48Å; D390-H394 PolarHBondContact O-CD2 3.33Å; D390-H394 PolarHBondContact O-N 3.26Å; D390-H394 VanDerWaalsContact O-N 3.1Å; K391-H394 WeakPolarHBondContact O-CB 3.43Å; K391-H394 PolarHBondContact O-N 3.47Å; H394-T398 WeakPolarHBondContact O-CB 3.46Å; H394-T398 PolarHBondContact O-N 2.96Å; H394-T398 PolarHBondContact O-OG1 3.37Å |
| 395 | A | 86.4 | Confident | 82.9 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.3 | -44 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | K383 I384 K391 T392 L393 T398 M399 | K383-A395 HydrophobicContact CB-CB 3.91Å; I384-A395 HydrophobicContact CG1-CB 4.01Å; K391-A395 PolarHBondContact O-N 3.02Å; T392-A395 WeakPolarHBondContact O-CB 3.3Å; T392-A395 PolarHBondContact O-N 2.82Å; L393-A395 VanDerWaalsContact C-N 3.32Å; L393-A395 PolarHBondContact O-N 2.95Å; A395-T398 WeakPolarHBondContact O-CB 3.46Å; A395-T398 PolarHBondContact O-N 2.93Å; A395-M399 WeakPolarHBondContact O-CG 3.28Å; A395-M399 PolarHBondContact O-N 3.44Å |
| 396 | I | 86.6 | Confident | 83.2 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -70 | -38.8 | 179.3 | -69.5 | 164.3 | 0 | 0 | 0 | 111.9 | T392 L393 T398 M399 S400 M422 L426 V437 A441 | T392-I396 HydrophobicContact CG2-CD1 4.2Å; T392-I396 PolarHBondContact O-N 3.13Å; L393-I396 PolarHBondContact O-N 3.02Å; I396-T398 VanDerWaalsContact C-N 3.29Å; I396-T398 PolarHBondContact O-N 3.05Å; I396-M399 HydrophobicContact CB-CE 4.08Å; I396-M399 HydrophobicContact CG1-CE 3.43Å; I396-M399 VanDerWaalsContact CG1-CE 3.43Å; I396-M399 WeakPolarHBondContact O-CB 3.31Å; I396-M399 PolarHBondContact O-N 3.36Å; I396-S400 WeakPolarHBondContact O-CB 3.3Å; I396-S400 PolarHBondContact O-N 3.03Å; I396-M422 HydrophobicContact CD1-CB 4.47Å; I396-L426 HydrophobicContact CD1-CD1 3Å; I396-L426 HydrophobicContact CD1-CG 4.45Å; I396-L426 HydrophobicContact CG1-CD1 4.41Å; I396-V437 HydrophobicContact CG2-CG1 4.03Å; I396-A441 HydrophobicContact CG2-CB 3.78Å |
| 397 | N | 87.6 | Confident | 83.8 | Confident | 8 Ų | 8 | 29.2 Ų | 29.2 | 4% | 0.043 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.7 | -34.4 | 173.6 | -163 | 42 | 0 | 0 | 0 | 112.1 | C332 G333 Q334 V335 Q349 L393 S400 G401 V437 | C332-N397 PolarHBondContact O-ND2 2.94Å; G333-N397 PolarHBondContact O-ND2 2.94Å; Q334-N397 PolarHBondContact O-ND2 3.47Å; V335-N397 HydrophobicContact CG2-CB 3.71Å; V335-N397 WeakPolarHBondContact CG2-ND2 3.45Å; Q349-N397 VanDerWaalsContact NE2-CG 3.3Å; Q349-N397 PolarHBondContact NE2-ND2 3.33Å; Q349-N397 PolarHBondContact NE2-O 2.94Å; Q349-N397 PolarHBondContact NE2-OD1 2.68Å; L393-N397 WeakPolarHBondContact O-CB 3.47Å; L393-N397 PolarHBondContact O-N 3.48Å; N397-S400 VanDerWaalsContact O-CB 3.32Å; N397-S400 WeakPolarHBondContact O-CB 3.46Å; N397-S400 PolarHBondContact O-N 3.12Å; N397-G401 PolarHBondContact O-N 3.28Å; N397-V437 HydrophobicContact CB-CG1 4.09Å |
| 398 | T | 88.3 | Confident | 84.3 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.7 | -43 | 171.9 | -52 | 0 | 0 | 0 | 0 | 111.1 | L329 G333 Y379 H394 A395 I396 S400 G401 L402 | L329-T398 HydrophobicContact CB-CG2 4.28Å; L329-T398 HydrophobicContact CD2-CG2 3.86Å; G333-T398 WeakPolarHBondContact CA-OG1 3.37Å; Y379-T398 HydrophobicContact CD1-CG2 4.39Å; Y379-T398 HydrophobicContact CE1-CG2 4.27Å; H394-T398 WeakPolarHBondContact O-CB 3.46Å; H394-T398 PolarHBondContact O-N 2.96Å; H394-T398 PolarHBondContact O-OG1 3.37Å; A395-T398 WeakPolarHBondContact O-CB 3.46Å; A395-T398 PolarHBondContact O-N 2.93Å; I396-T398 VanDerWaalsContact C-N 3.29Å; I396-T398 PolarHBondContact O-N 3.05Å; T398-S400 VanDerWaalsContact C-N 3.35Å; T398-G401 PolarHBondContact O-N 3.42Å; T398-L402 HydrophobicContact CG2-CD1 4.39Å; T398-L402 WeakPolarHBondContact O-CG 3.49Å; T398-L402 PolarHBondContact O-N 3.27Å |
| 399 | M | 87.3 | Confident | 84.6 | Confident | 4 Ų | 4 | 23.5 Ų | 23.5 | 2% | 0.02 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.9 | -41.8 | 175 | -72.1 | -173 | -67.7 | 0 | 0 | 111.9 | I380 A395 I396 G401 L402 L403 V419 | I380-M399 HydrophobicContact CD1-CG 3.75Å; I380-M399 HydrophobicContact CG1-CG 4.47Å; I380-M399 HydrophobicContact CG2-SD 4.43Å; A395-M399 WeakPolarHBondContact O-CG 3.28Å; A395-M399 PolarHBondContact O-N 3.44Å; I396-M399 HydrophobicContact CB-CE 4.08Å; I396-M399 HydrophobicContact CG1-CE 3.43Å; I396-M399 VanDerWaalsContact CG1-CE 3.43Å; I396-M399 WeakPolarHBondContact O-CB 3.31Å; I396-M399 PolarHBondContact O-N 3.36Å; M399-G401 VanDerWaalsContact C-N 3.33Å; M399-G401 PolarHBondContact O-N 3.22Å; M399-L402 PolarHBondContact O-N 2.88Å; M399-L402 VanDerWaalsContact O-N 3.17Å; M399-L403 WeakPolarHBondContact O-CG 3.44Å; M399-L403 PolarHBondContact O-N 3.41Å; M399-V419 HydrophobicContact CE-CG1 3.69Å; M399-V419 HydrophobicContact SD-CG1 3.83Å; M399-V419 HydrophobicContact SD-CG2 4.37Å |
| 400 | S | 85.6 | Confident | 85 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -54.8 | -48.2 | 173.9 | -172.4 | 0 | 0 | 0 | 0 | 111.2 | I396 N397 T398 L403 Q404 H444 | I396-S400 WeakPolarHBondContact O-CB 3.3Å; I396-S400 PolarHBondContact O-N 3.03Å; N397-S400 VanDerWaalsContact O-CB 3.32Å; N397-S400 WeakPolarHBondContact O-CB 3.46Å; N397-S400 PolarHBondContact O-N 3.12Å; T398-S400 VanDerWaalsContact C-N 3.35Å; S400-L403 PolarHBondContact O-N 3.43Å; S400-Q404 PolarHBondContact O-N 2.88Å; S400-H444 PolarHBondContact OG-CE1 3.06Å; S400-H444 VanDerWaalsContact OG-CE1 3.3Å; S400-H444 PolarHBondContact OG-ND1 3.19Å |
| 401 | G | 85.9 | Confident | 85 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -66.3 | -36 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114 | S353 N397 T398 M399 Q404 G405 | S353-G401 WeakPolarHBondContact CB-O 3.32Å; S353-G401 VanDerWaalsContact OG-C 3.25Å; S353-G401 VanDerWaalsContact OG-CA 3.24Å; S353-G401 WeakPolarHBondContact OG-CA 3.28Å; S353-G401 PolarHBondContact OG-O 3.49Å; N397-G401 PolarHBondContact O-N 3.28Å; T398-G401 PolarHBondContact O-N 3.42Å; M399-G401 VanDerWaalsContact C-N 3.33Å; M399-G401 PolarHBondContact O-N 3.22Å; G401-Q404 PolarHBondContact O-N 3.22Å; G401-G405 PolarHBondContact O-N 3.36Å |
| 402 | L | 88.2 | Confident | 85 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -67 | -35.3 | 174.4 | -74.7 | 169.4 | 0 | 0 | 0 | 112.6 | L329 L356 I380 T398 M399 Q404 G405 P406 L413 | L329-L402 HydrophobicContact CD2-CD1 4.3Å; L329-L402 HydrophobicContact CD2-CD2 4.04Å; L329-L402 HydrophobicContact CD2-CG 4.31Å; L356-L402 HydrophobicContact CD1-CD2 4.02Å; I380-L402 HydrophobicContact CD1-CD1 4.03Å; T398-L402 HydrophobicContact CG2-CD1 4.39Å; T398-L402 WeakPolarHBondContact O-CG 3.49Å; T398-L402 PolarHBondContact O-N 3.27Å; M399-L402 PolarHBondContact O-N 2.88Å; M399-L402 VanDerWaalsContact O-N 3.17Å; L402-Q404 VanDerWaalsContact C-N 3.34Å; L402-G405 CarbonylContact O-C 3.3Å; L402-G405 PolarHBondContact O-N 3.29Å; L402-P406 HydrophobicContact CD2-CG 3.72Å; L402-P406 CarbonylContact O-C 3.5Å; L402-P406 WeakPolarHBondContact O-CD 3.3Å; L402-L413 HydrophobicContact CD1-CD1 3.63Å |
| 403 | L | 85.3 | Confident | 85 | Confident | 7 Ų | 7 | 18.4 Ų | 18.4 | 4% | 0.037 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.2 | -35.4 | 173.9 | -72.5 | 165.4 | 0 | 0 | 0 | 112 | M399 S400 F407 V414 H444 A445 | M399-L403 WeakPolarHBondContact O-CG 3.44Å; M399-L403 PolarHBondContact O-N 3.41Å; S400-L403 PolarHBondContact O-N 3.43Å; L403-F407 HydrophobicContact CD2-CD2 4.33Å; L403-F407 HydrophobicContact CD2-CE2 4.19Å; L403-F407 WeakPolarHBondContact O-CD2 3.48Å; L403-V414 HydrophobicContact CD1-CG2 4.05Å; L403-V414 HydrophobicContact CD2-CG2 4.33Å; L403-V414 HydrophobicContact CG-CG2 4.44Å; L403-H444 HydrophobicContact CB-CB 3.81Å; L403-H444 HydrophobicContact CD1-CB 4.16Å; L403-A445 HydrophobicContact CD1-CB 4.09Å |
| 404 | Q | 81.7 | Confident | 84.6 | Confident | 76 Ų | 76 | 18.9 Ų | 18.9 | 36% | 0.355 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -72.5 | -34 | 173.3 | -70.5 | -174.4 | -5.2 | 0 | 0 | 113.2 | S400 G401 L402 H444 | S400-Q404 PolarHBondContact O-N 2.88Å; G401-Q404 PolarHBondContact O-N 3.22Å; L402-Q404 VanDerWaalsContact C-N 3.34Å; Q404-H444 HydrophobicContact CG-CB 4.41Å; Q404-H444 PolarHBondContact NE2-CE1 2.88Å; Q404-H444 PolarHBondContact NE2-ND1 3.24Å; Q404-H444 PolarHBondContact NE2-NE2 3.14Å |
| 405 | G | 83.8 | Confident | 84 | Confident | 8 Ų | 8 | 20 Ų | 20 | 8% | 0.082 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -91.3 | -108.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | S353 N357 G401 L402 F407 | S353-G405 WeakPolarHBondContact O-CA 3.35Å; N357-G405 PolarHBondContact OD1-O 2.99Å; G401-G405 PolarHBondContact O-N 3.36Å; L402-G405 CarbonylContact O-C 3.3Å; L402-G405 PolarHBondContact O-N 3.29Å; G405-F407 VanDerWaalsContact C-N 3.27Å; G405-F407 PolarHBondContact O-N 3.02Å |
| 406 | P | 85.4 | Confident | 83.5 | Confident | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -73.5 | 79.2 | 177.4 | 32.4 | -35.4 | 0 | 0 | 0 | 111.4 | L356 Y360 F372 L402 E408 V409 G410 | L356-P406 HydrophobicContact CB-CG 4.23Å; Y360-P406 HydrophobicContact CD1-CB 4.1Å; Y360-P406 HydrophobicContact CG-CB 3.96Å; F372-P406 HydrophobicContact CE1-CG 4.41Å; L402-P406 HydrophobicContact CD2-CG 3.72Å; L402-P406 CarbonylContact O-C 3.5Å; L402-P406 WeakPolarHBondContact O-CD 3.3Å; P406-E408 PolarHBondContact O-N 3.4Å; P406-E408 VanDerWaalsContact O-N 3.07Å; P406-V409 HydrophobicContact CB-CB 4.32Å; P406-V409 HydrophobicContact CB-CG2 4.1Å; P406-V409 HydrophobicContact CG-CB 4.43Å; P406-V409 WeakPolarHBondContact O-CB 3.33Å; P406-V409 PolarHBondContact O-N 3.48Å; P406-G410 PolarHBondContact O-N 3.01Å; P406-G410 VanDerWaalsContact O-N 3.15Å |
| 407 | F | 83.6 | Confident | 82.6 | Confident | 29 Ų | 29 | 32.3 Ų | 32.3 | 13% | 0.127 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -51.5 | -37.4 | -174 | -178.9 | -90.3 | 0 | 0 | 0 | 113.6 | L403 G405 V409 G410 N411 K448 | L403-F407 HydrophobicContact CD2-CD2 4.33Å; L403-F407 HydrophobicContact CD2-CE2 4.19Å; L403-F407 WeakPolarHBondContact O-CD2 3.48Å; G405-F407 VanDerWaalsContact C-N 3.27Å; G405-F407 PolarHBondContact O-N 3.02Å; F407-V409 VanDerWaalsContact C-N 3.33Å; F407-V409 PolarHBondContact O-N 3.43Å; F407-G410 PolarHBondContact O-N 3.12Å; F407-N411 HydrophobicContact CD1-CB 4.44Å; F407-N411 HydrophobicContact CE1-CB 4.09Å; F407-N411 HydrophobicContact CZ-CB 4.42Å; F407-N411 VanDerWaalsContact O-CB 3.22Å; F407-N411 WeakPolarHBondContact O-CB 3.11Å; F407-N411 PolarHBondContact O-N 3.33Å; F407-K448 HydrophobicContact CD1-CD 3.99Å; F407-K448 HydrophobicContact CD1-CG 4.5Å; F407-K448 HydrophobicContact CE1-CB 3.8Å; F407-K448 HydrophobicContact CE1-CD 3.81Å; F407-K448 HydrophobicContact CE1-CG 4.01Å; F407-K448 HydrophobicContact CZ-CB 3.79Å; F407-K448 HydrophobicContact CZ-CD 4.5Å; F407-K448 HydrophobicContact CZ-CG 4.21Å |
| 408 | E | 82.8 | Confident | 82 | Confident | 94 Ų | 94 | 33.1 Ų | 33.1 | 44% | 0.439 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.4 | -39.3 | 178.9 | -64.5 | -172.3 | 160.3 | 0 | 0 | 113 | Y360 P406 S412 | Y360-E408 PolarHBondContact OH-OE2 3.16Å; Y360-E408 VanDerWaalsContact OH-OE2 3.06Å; P406-E408 PolarHBondContact O-N 3.4Å; P406-E408 VanDerWaalsContact O-N 3.07Å; E408-S412 PolarHBondContact O-N 3.3Å; E408-S412 VanDerWaalsContact O-N 3.16Å |
| 409 | V | 85.4 | Confident | 81.5 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -70.6 | -49.2 | 178.3 | -178.2 | 0 | 0 | 0 | 0 | 109 | Y360 F372 K373 C376 P406 F407 N411 S412 L413 | Y360-V409 HydrophobicContact CD2-CG2 3.88Å; Y360-V409 HydrophobicContact CE2-CG2 3.48Å; Y360-V409 VanDerWaalsContact CE2-CG2 3.48Å; F372-V409 HydrophobicContact CD1-CG2 4.24Å; F372-V409 HydrophobicContact CE1-CG2 4.3Å; K373-V409 HydrophobicContact CG-CB 4.48Å; K373-V409 HydrophobicContact CG-CG1 4.11Å; K373-V409 HydrophobicContact CG-CG2 3.85Å; C376-V409 HydrophobicContact CB-CG1 4.23Å; P406-V409 HydrophobicContact CB-CB 4.32Å; P406-V409 HydrophobicContact CB-CG2 4.1Å; P406-V409 HydrophobicContact CG-CB 4.43Å; P406-V409 WeakPolarHBondContact O-CB 3.33Å; P406-V409 PolarHBondContact O-N 3.48Å; F407-V409 VanDerWaalsContact C-N 3.33Å; F407-V409 PolarHBondContact O-N 3.43Å; V409-N411 VanDerWaalsContact C-N 3.33Å; V409-N411 PolarHBondContact O-N 2.85Å; V409-S412 WeakPolarHBondContact O-CB 3.49Å; V409-S412 PolarHBondContact O-N 3.28Å; V409-L413 HydrophobicContact CG1-CD1 3.85Å; V409-L413 WeakPolarHBondContact O-CD1 2.81Å; V409-L413 VanDerWaalsContact O-CG 3.28Å; V409-L413 WeakPolarHBondContact O-CG 3.12Å; V409-L413 PolarHBondContact O-N 3.24Å; V409-L413 VanDerWaalsContact O-N 3.08Å |
| 410 | G | 84.3 | Confident | 81 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.1 | -45 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P406 F407 S412 L413 V414 | P406-G410 PolarHBondContact O-N 3.01Å; P406-G410 VanDerWaalsContact O-N 3.15Å; F407-G410 PolarHBondContact O-N 3.12Å; G410-S412 PolarHBondContact O-N 3.19Å; G410-L413 PolarHBondContact O-N 3.11Å; G410-V414 WeakPolarHBondContact O-CG2 3.41Å; G410-V414 PolarHBondContact O-N 3.45Å |
| 411 | N | 81.3 | Confident | 80.7 | Confident | 34 Ų | 34 | 41.1 Ų | 41.1 | 18% | 0.182 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.4 | -37 | 179.3 | -171 | 74.7 | 0 | 0 | 0 | 112.6 | F407 V409 L413 G415 | F407-N411 HydrophobicContact CD1-CB 4.44Å; F407-N411 HydrophobicContact CE1-CB 4.09Å; F407-N411 HydrophobicContact CZ-CB 4.42Å; F407-N411 VanDerWaalsContact O-CB 3.22Å; F407-N411 WeakPolarHBondContact O-CB 3.11Å; F407-N411 PolarHBondContact O-N 3.33Å; V409-N411 VanDerWaalsContact C-N 3.33Å; V409-N411 PolarHBondContact O-N 2.85Å; N411-L413 VanDerWaalsContact C-N 3.3Å; N411-L413 PolarHBondContact O-N 3.42Å; N411-G415 PolarHBondContact O-N 3.33Å |
| 412 | S | 81.9 | Confident | 80.3 | Confident | 73 Ų | 73 | 42.9 Ų | 42.9 | 51% | 0.51 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.4 | -34.9 | 174.5 | -170.9 | 0 | 0 | 0 | 0 | 112.4 | E408 V409 G410 | E408-S412 PolarHBondContact O-N 3.3Å; E408-S412 VanDerWaalsContact O-N 3.16Å; V409-S412 WeakPolarHBondContact O-CB 3.49Å; V409-S412 PolarHBondContact O-N 3.28Å; G410-S412 PolarHBondContact O-N 3.19Å |
| 413 | L | 81.7 | Confident | 79.9 | Confident | 5 Ų | 5 | 43.1 Ų | 43.1 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -75.8 | -39.7 | -179.6 | -67.5 | 161.7 | 0 | 0 | 0 | 111.6 | C376 D377 I380 L402 V409 G410 N411 G415 Q416 | C376-L413 HydrophobicContact CB-CD1 4.27Å; D377-L413 HydrophobicContact CB-CD2 4.02Å; I380-L413 HydrophobicContact CD1-CB 4.32Å; I380-L413 HydrophobicContact CD1-CD1 3.49Å; I380-L413 VanDerWaalsContact CD1-CD1 3.49Å; I380-L413 HydrophobicContact CD1-CD2 4Å; I380-L413 HydrophobicContact CD1-CG 4.13Å; L402-L413 HydrophobicContact CD1-CD1 3.63Å; V409-L413 HydrophobicContact CG1-CD1 3.85Å; V409-L413 WeakPolarHBondContact O-CD1 2.81Å; V409-L413 VanDerWaalsContact O-CG 3.28Å; V409-L413 WeakPolarHBondContact O-CG 3.12Å; V409-L413 PolarHBondContact O-N 3.24Å; V409-L413 VanDerWaalsContact O-N 3.08Å; G410-L413 PolarHBondContact O-N 3.11Å; N411-L413 VanDerWaalsContact C-N 3.3Å; N411-L413 PolarHBondContact O-N 3.42Å; L413-G415 PolarHBondContact O-N 3.23Å; L413-Q416 WeakPolarHBondContact O-CB 3.22Å; L413-Q416 WeakPolarHBondContact O-CG 3.39Å; L413-Q416 PolarHBondContact O-N 3.13Å |
| 414 | V | 77.6 | Confident | 79.6 | Confident | 10 Ų | 10 | 45.5 Ų | 45.5 | 6% | 0.061 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.2 | -29.8 | 175.7 | 172.3 | 0 | 0 | 0 | 0 | 112.3 | L403 G410 Q416 F455 | L403-V414 HydrophobicContact CD1-CG2 4.05Å; L403-V414 HydrophobicContact CD2-CG2 4.33Å; L403-V414 HydrophobicContact CG-CG2 4.44Å; G410-V414 WeakPolarHBondContact O-CG2 3.41Å; G410-V414 PolarHBondContact O-N 3.45Å; V414-Q416 PolarHBondContact O-N 3.34Å; V414-F455 HydrophobicContact CG1-CD2 3.78Å; V414-F455 HydrophobicContact CG1-CE1 4.08Å; V414-F455 HydrophobicContact CG1-CE2 3.21Å; V414-F455 HydrophobicContact CG1-CG 4.41Å; V414-F455 HydrophobicContact CG1-CZ 3.38Å |
| 415 | G | 73.9 | Confident | 79.6 | Confident | 68 Ų | 68 | 44.6 Ų | 44.6 | 70% | 0.701 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -3.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | N411 L413 | N411-G415 PolarHBondContact O-N 3.33Å; L413-G415 PolarHBondContact O-N 3.23Å |
| 416 | Q | 75.6 | Confident | 79.6 | Confident | 57 Ų | 57 | 44.3 Ų | 44.3 | 27% | 0.266 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -73.1 | 148.3 | 178.3 | -65.4 | -176.6 | -8.4 | 0 | 0 | 112.2 | D377 L413 V414 G418 V419 | D377-Q416 PolarHBondContact OD1-NE2 3.39Å; D377-Q416 PolarHBondContact OD1-OE1 2.87Å; L413-Q416 WeakPolarHBondContact O-CB 3.22Å; L413-Q416 WeakPolarHBondContact O-CG 3.39Å; L413-Q416 PolarHBondContact O-N 3.13Å; V414-Q416 PolarHBondContact O-N 3.34Å; Q416-G418 PolarHBondContact O-N 2.83Å; Q416-V419 HydrophobicContact CB-CG2 4.26Å; Q416-V419 PolarHBondContact O-N 2.92Å |
| 417 | Q | 68.6 | Low | 79.3 | Confident | 204 Ų | 204 | 44.6 Ų | 44.6 | 95% | 0.953 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 137.3 | 175.2 | -81.2 | 179.9 | -26.4 | 0 | 0 | 111.1 | ||
| 418 | G | 74.7 | Confident | 79.2 | Confident | 25 Ų | 25 | 47.3 Ų | 47.3 | 26% | 0.258 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.7 | -23.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q416 E421 M422 | Q416-G418 PolarHBondContact O-N 2.83Å; G418-E421 PolarHBondContact O-N 3.3Å; G418-M422 WeakPolarHBondContact O-CG 3.25Å; G418-M422 PolarHBondContact O-N 2.84Å; G418-M422 VanDerWaalsContact O-N 3.08Å |
| 419 | V | 78.1 | Confident | 79.2 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.5 | -44.2 | -177.6 | 176 | 0 | 0 | 0 | 0 | 112.6 | M399 Q416 M422 M423 | M399-V419 HydrophobicContact CE-CG1 3.69Å; M399-V419 HydrophobicContact SD-CG1 3.83Å; M399-V419 HydrophobicContact SD-CG2 4.37Å; Q416-V419 HydrophobicContact CB-CG2 4.26Å; Q416-V419 PolarHBondContact O-N 2.92Å; V419-M422 HydrophobicContact CB-CE 4.36Å; V419-M422 HydrophobicContact CG2-CE 4.08Å; V419-M422 PolarHBondContact O-N 3.01Å; V419-M423 HydrophobicContact CG1-SD 4.42Å; V419-M423 WeakPolarHBondContact O-CG 3.34Å; V419-M423 PolarHBondContact O-N 3.39Å |
| 420 | M | 76.1 | Confident | 79 | Confident | 23 Ų | 23 | 53.1 Ų | 53.1 | 11% | 0.113 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.2 | -40.7 | 176.8 | -175.5 | 61.5 | -118.8 | 0 | 0 | 111.7 | M422 M423 V424 F455 L462 | M420-M422 VanDerWaalsContact C-N 3.3Å; M420-M422 PolarHBondContact O-N 2.84Å; M420-M423 HydrophobicContact CE-CB 3.89Å; M420-M423 WeakPolarHBondContact O-CB 3.36Å; M420-M423 PolarHBondContact O-N 3.25Å; M420-M423 VanDerWaalsContact O-N 3.07Å; M420-V424 HydrophobicContact CE-CB 4.45Å; M420-V424 HydrophobicContact CE-CG2 3.32Å; M420-V424 WeakPolarHBondContact O-CG2 3.34Å; M420-V424 PolarHBondContact O-N 3.2Å; M420-F455 HydrophobicContact CB-CE2 3.92Å; M420-F455 HydrophobicContact CB-CZ 3.98Å; M420-F455 HydrophobicContact CE-CE1 4.38Å; M420-F455 HydrophobicContact CG-CE2 4.19Å; M420-F455 HydrophobicContact CG-CZ 4.14Å; M420-F455 HydrophobicContact SD-CD1 3.83Å; M420-F455 HydrophobicContact SD-CD2 4.16Å; M420-F455 HydrophobicContact SD-CE1 3.26Å; M420-F455 WeakPolarHBondContact SD-CE1 3.31Å; M420-F455 HydrophobicContact SD-CE2 3.64Å; M420-F455 HydrophobicContact SD-CG 4.25Å; M420-F455 HydrophobicContact SD-CZ 3.16Å; M420-F455 WeakPolarHBondContact SD-CZ 3.31Å; M420-L462 HydrophobicContact CE-CD1 3.73Å |
| 421 | E | 78.7 | Confident | 78.9 | Confident | 147 Ų | 147 | 58 Ų | 58 | 69% | 0.687 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -60.4 | -42.1 | 178.2 | -67.3 | 165.5 | -173 | 0 | 0 | 111.1 | G418 V424 A425 | G418-E421 PolarHBondContact O-N 3.3Å; E421-V424 PolarHBondContact O-N 3.04Å; E421-A425 WeakPolarHBondContact O-CB 3.44Å; E421-A425 PolarHBondContact O-N 3.31Å |
| 422 | M | 78.4 | Confident | 79 | Confident | 38 Ų | 38 | 60.2 Ų | 60.2 | 19% | 0.187 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.3 | -41.3 | 172.5 | -68.7 | -174 | -65.7 | 0 | 0 | 112.4 | I384 T392 I396 G418 V419 M420 A425 L426 | I384-M422 HydrophobicContact CD1-CE 3.86Å; I384-M422 HydrophobicContact CG1-CE 4.11Å; I384-M422 HydrophobicContact CG1-SD 4.46Å; I384-M422 HydrophobicContact CG2-CE 4.11Å; I384-M422 HydrophobicContact CG2-SD 3.67Å; T392-M422 HydrophobicContact CG2-SD 3.8Å; I396-M422 HydrophobicContact CD1-CB 4.47Å; G418-M422 WeakPolarHBondContact O-CG 3.25Å; G418-M422 PolarHBondContact O-N 2.84Å; G418-M422 VanDerWaalsContact O-N 3.08Å; V419-M422 HydrophobicContact CB-CE 4.36Å; V419-M422 HydrophobicContact CG2-CE 4.08Å; V419-M422 PolarHBondContact O-N 3.01Å; M420-M422 VanDerWaalsContact C-N 3.3Å; M420-M422 PolarHBondContact O-N 2.84Å; M422-A425 PolarHBondContact O-N 3.26Å; M422-L426 WeakPolarHBondContact O-CG 3.45Å; M422-L426 PolarHBondContact O-N 2.98Å |
| 423 | M | 78.5 | Confident | 79.1 | Confident | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.02 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.6 | -38.5 | 176.5 | -71.6 | -177.3 | 72.2 | 0 | 0 | 112.4 | V419 M420 C427 A441 L442 F455 | V419-M423 HydrophobicContact CG1-SD 4.42Å; V419-M423 WeakPolarHBondContact O-CG 3.34Å; V419-M423 PolarHBondContact O-N 3.39Å; M420-M423 HydrophobicContact CE-CB 3.89Å; M420-M423 WeakPolarHBondContact O-CB 3.36Å; M420-M423 PolarHBondContact O-N 3.25Å; M420-M423 VanDerWaalsContact O-N 3.07Å; M423-C427 WeakPolarHBondContact O-CB 3.48Å; M423-C427 PolarHBondContact O-N 3.08Å; M423-C427 PolarHBondContact O-SG 3.1Å; M423-A441 HydrophobicContact CE-CB 3.73Å; M423-L442 HydrophobicContact CE-CB 4.45Å; M423-L442 HydrophobicContact CE-CD2 3.54Å; M423-L442 HydrophobicContact CE-CG 3.61Å; M423-F455 HydrophobicContact CE-CE1 3.88Å; M423-F455 HydrophobicContact SD-CE1 3.56Å; M423-F455 VanDerWaalsContact SD-CE1 3.56Å; M423-F455 HydrophobicContact SD-CZ 3.58Å; M423-F455 VanDerWaalsContact SD-CZ 3.58Å |
| 424 | V | 79.8 | Confident | 79.3 | Confident | 58 Ų | 58 | 58.1 Ų | 58.1 | 35% | 0.352 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 172.6 | 178.3 | 0 | 0 | 0 | 0 | 110.8 | M420 E421 L426 C427 S428 L462 | M420-V424 HydrophobicContact CE-CB 4.45Å; M420-V424 HydrophobicContact CE-CG2 3.32Å; M420-V424 WeakPolarHBondContact O-CG2 3.34Å; M420-V424 PolarHBondContact O-N 3.2Å; E421-V424 PolarHBondContact O-N 3.04Å; V424-L426 VanDerWaalsContact C-N 3.34Å; V424-L426 PolarHBondContact O-N 3.19Å; V424-C427 PolarHBondContact O-N 3.39Å; V424-S428 PolarHBondContact O-N 2.99Å; V424-S428 VanDerWaalsContact O-N 3.09Å; V424-S428 PolarHBondContact O-OG 3.43Å; V424-L462 HydrophobicContact CG1-CD2 4.42Å; V424-L462 HydrophobicContact CG2-CD1 4.1Å |
| 425 | A | 82 | Confident | 79.7 | Confident | 57 Ų | 57 | 58.9 Ų | 58.9 | 47% | 0.471 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E421 M422 S428 S429 | E421-A425 WeakPolarHBondContact O-CB 3.44Å; E421-A425 PolarHBondContact O-N 3.31Å; M422-A425 PolarHBondContact O-N 3.26Å; A425-S428 CarbonylContact O-C 3.56Å; A425-S428 PolarHBondContact O-N 3.35Å; A425-S429 PolarHBondContact O-N 3.3Å; A425-S429 VanDerWaalsContact O-N 3.11Å |
| 426 | L | 82.4 | Confident | 80.2 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.4 | -36.8 | 177.8 | -69.7 | 165.3 | 0 | 0 | 0 | 113.3 | M389 I396 M422 V424 S428 S429 D434 A438 | M389-L426 HydrophobicContact CE-CD2 3.44Å; M389-L426 VanDerWaalsContact CE-CD2 3.44Å; M389-L426 HydrophobicContact CE-CG 4.32Å; I396-L426 HydrophobicContact CD1-CD1 3Å; I396-L426 HydrophobicContact CD1-CG 4.45Å; I396-L426 HydrophobicContact CG1-CD1 4.41Å; M422-L426 WeakPolarHBondContact O-CG 3.45Å; M422-L426 PolarHBondContact O-N 2.98Å; V424-L426 VanDerWaalsContact C-N 3.34Å; V424-L426 PolarHBondContact O-N 3.19Å; L426-S428 PolarHBondContact O-N 2.96Å; L426-S429 VanDerWaalsContact O-CB 3.32Å; L426-S429 WeakPolarHBondContact O-CB 3.45Å; L426-S429 PolarHBondContact O-N 3.33Å; L426-D434 HydrophobicContact CD2-CB 3.77Å; L426-A438 HydrophobicContact CB-CB 3.85Å |
| 427 | C | 80 | Confident | 80.6 | Confident | 8 Ų | 8 | 54 Ų | 54 | 5% | 0.054 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.9 | -26.7 | 172.3 | -72.6 | 0 | 0 | 0 | 0 | 112.5 | M423 V424 I466 | M423-C427 WeakPolarHBondContact O-CB 3.48Å; M423-C427 PolarHBondContact O-N 3.08Å; M423-C427 PolarHBondContact O-SG 3.1Å; V424-C427 PolarHBondContact O-N 3.39Å; C427-I466 HydrophobicContact CB-CD1 4.02Å |
| 428 | S | 81.1 | Confident | 81.4 | Confident | 86 Ų | 86 | 44.3 Ų | 44.3 | 60% | 0.601 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96 | -2.4 | 179.8 | -51 | 0 | 0 | 0 | 0 | 113.5 | V424 A425 L426 | V424-S428 PolarHBondContact O-N 2.99Å; V424-S428 VanDerWaalsContact O-N 3.09Å; V424-S428 PolarHBondContact O-OG 3.43Å; A425-S428 CarbonylContact O-C 3.56Å; A425-S428 PolarHBondContact O-N 3.35Å; L426-S428 PolarHBondContact O-N 2.96Å |
| 429 | S | 83.6 | Confident | 81.9 | Confident | 26 Ų | 26 | 43.1 Ų | 43.1 | 18% | 0.182 | 23% | 0.23 | C | C | . | . | trans | -66.8 | 150.3 | 178.8 | -177.1 | 0 | 0 | 0 | 0 | 111.2 | A425 L426 R431 D434 Q435 | A425-S429 PolarHBondContact O-N 3.3Å; A425-S429 VanDerWaalsContact O-N 3.11Å; L426-S429 VanDerWaalsContact O-CB 3.32Å; L426-S429 WeakPolarHBondContact O-CB 3.45Å; L426-S429 PolarHBondContact O-N 3.33Å; S429-R431 VanDerWaalsContact C-N 3.3Å; S429-R431 PolarHBondContact OG-N 3.35Å; S429-D434 PolarHBondContact OG-OD2 2.94Å; S429-Q435 PolarHBondContact O-NE2 2.83Å | ||
| 430 | E | 80.3 | Confident | 82.2 | Confident | 190 Ų | 190 | 44.2 Ų | 44.2 | 89% | 0.888 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -77.9 | -16 | 173.8 | -63.7 | -172.7 | 167.5 | 0 | 0 | 112.8 | ||
| 431 | R | 83.4 | Confident | 82.5 | Confident | 103 Ų | 103 | 43.3 Ų | 43.3 | 39% | 0.389 | 23% | 0.231 | S | C | . | . | trans | -79 | 123.5 | 179.6 | -66.8 | 174.3 | 67.8 | -171 | 4.3 | 110.6 | D390 S429 V433 D434 Q435 | D390-R431 IonicContact OD1-CZ 3.55Å; D390-R431 IonicContact OD1-NH1 3.82Å; D390-R431 PolarHBondContact OD1-NH1 3.06Å; D390-R431 IonicContact OD1-NH2 3.14Å; D390-R431 PolarHBondContact OD1-NH2 3.32Å; D390-R431 VanDerWaalsContact OD1-NH2 3.14Å; S429-R431 VanDerWaalsContact C-N 3.3Å; S429-R431 PolarHBondContact OG-N 3.35Å; R431-V433 VanDerWaalsContact C-N 3.26Å; R431-V433 PolarHBondContact O-N 3.41Å; R431-D434 HydrophobicContact CB-CB 4.18Å; R431-D434 WeakPolarHBondContact CB-OD2 3.42Å; R431-D434 WeakPolarHBondContact CD-OD2 3.29Å; R431-D434 IonicContact CZ-OD1 3.8Å; R431-D434 IonicContact NE-OD1 3.85Å; R431-D434 IonicContact NH1-OD1 3.92Å; R431-D434 PolarHBondContact O-N 2.96Å; R431-Q435 PolarHBondContact O-N 3.27Å | ||
| 432 | D | 83.4 | Confident | 82.7 | Confident | 80 Ų | 80 | 36.8 Ų | 36.8 | 43% | 0.428 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -56.9 | -36.2 | 177.8 | -78.6 | 1.3 | 0 | 0 | 0 | 113.5 | M436 N472 I475 | D432-M436 VanDerWaalsContact O-CB 3.3Å; D432-M436 WeakPolarHBondContact O-CB 3.5Å; D432-M436 PolarHBondContact O-N 2.9Å; D432-N472 PolarHBondContact OD2-ND2 3.47Å; D432-I475 HydrophobicContact CB-CD1 4.12Å |
| 433 | V | 84.2 | Confident | 82.8 | Confident | 33 Ų | 33 | 35 Ų | 35 | 20% | 0.2 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.1 | -41 | -179.3 | -175.5 | 0 | 0 | 0 | 0 | 111.1 | V335 E337 L393 R431 M436 V437 | V335-V433 HydrophobicContact CG1-CG1 4.07Å; E337-V433 HydrophobicContact CB-CG1 4.28Å; E337-V433 HydrophobicContact CB-CG2 4.1Å; L393-V433 HydrophobicContact CD2-CG1 3.93Å; R431-V433 VanDerWaalsContact C-N 3.26Å; R431-V433 PolarHBondContact O-N 3.41Å; V433-M436 PolarHBondContact O-N 3.39Å; V433-V437 WeakPolarHBondContact O-CG2 3.48Å; V433-V437 PolarHBondContact O-N 2.97Å |
| 434 | D | 85.1 | Confident | 82.9 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.011 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.5 | -47.3 | 178.9 | -63.8 | -4.1 | 0 | 0 | 0 | 110.7 | L426 S429 R431 M436 A438 | L426-D434 HydrophobicContact CD2-CB 3.77Å; S429-D434 PolarHBondContact OG-OD2 2.94Å; R431-D434 HydrophobicContact CB-CB 4.18Å; R431-D434 WeakPolarHBondContact CB-OD2 3.42Å; R431-D434 WeakPolarHBondContact CD-OD2 3.29Å; R431-D434 IonicContact CZ-OD1 3.8Å; R431-D434 IonicContact NE-OD1 3.85Å; R431-D434 IonicContact NH1-OD1 3.92Å; R431-D434 PolarHBondContact O-N 2.96Å; D434-M436 VanDerWaalsContact C-N 3.32Å; D434-M436 PolarHBondContact O-N 3.22Å; D434-A438 VanDerWaalsContact O-CB 3.31Å; D434-A438 WeakPolarHBondContact O-CB 3.29Å; D434-A438 PolarHBondContact O-N 2.73Å |
| 435 | Q | 85.6 | Confident | 82.8 | Confident | 26 Ų | 26 | 32.9 Ų | 32.9 | 12% | 0.121 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.1 | -42 | 176.2 | -68.1 | -172.3 | 4.7 | 0 | 0 | 111.3 | S429 R431 A438 V439 I475 | S429-Q435 PolarHBondContact O-NE2 2.83Å; R431-Q435 PolarHBondContact O-N 3.27Å; Q435-A438 PolarHBondContact O-N 2.93Å; Q435-V439 WeakPolarHBondContact O-CB 3.36Å; Q435-V439 VanDerWaalsContact O-CG2 3.24Å; Q435-V439 WeakPolarHBondContact O-CG2 3.41Å; Q435-V439 PolarHBondContact O-N 3.11Å; Q435-I475 HydrophobicContact CB-CD1 4.07Å |
| 436 | M | 84.6 | Confident | 82.4 | Confident | 18 Ų | 18 | 30.9 Ų | 30.9 | 9% | 0.089 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.9 | -50.5 | -178.2 | -175 | 170.8 | 69.8 | 0 | 0 | 112.1 | E337 D432 V433 D434 A438 V439 E440 R478 | E337-M436 VanDerWaalsContact OE1-CE 3.29Å; E337-M436 WeakPolarHBondContact OE1-CE 3.31Å; E337-M436 WeakPolarHBondContact OE2-CE 3.25Å; D432-M436 VanDerWaalsContact O-CB 3.3Å; D432-M436 WeakPolarHBondContact O-CB 3.5Å; D432-M436 PolarHBondContact O-N 2.9Å; V433-M436 PolarHBondContact O-N 3.39Å; D434-M436 VanDerWaalsContact C-N 3.32Å; D434-M436 PolarHBondContact O-N 3.22Å; M436-A438 VanDerWaalsContact C-N 3.32Å; M436-A438 PolarHBondContact O-N 2.87Å; M436-V439 PolarHBondContact O-N 3.41Å; M436-E440 WeakPolarHBondContact O-CG 3.46Å; M436-E440 PolarHBondContact O-N 2.9Å; M436-R478 PolarHBondContact SD-NH2 2.98Å |
| 437 | V | 84.6 | Confident | 81.8 | Confident | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.024 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.3 | -38.5 | 178.9 | 175.2 | 0 | 0 | 0 | 0 | 111 | V335 L393 I396 N397 V433 E440 A441 | V335-V437 HydrophobicContact CG1-CG2 4.08Å; V335-V437 HydrophobicContact CG2-CG2 4.17Å; L393-V437 HydrophobicContact CD1-CB 3.58Å; L393-V437 HydrophobicContact CD1-CG1 3.77Å; L393-V437 HydrophobicContact CD1-CG2 3.81Å; L393-V437 HydrophobicContact CD2-CG2 4.47Å; L393-V437 HydrophobicContact CG-CB 4.39Å; L393-V437 HydrophobicContact CG-CG1 4.36Å; L393-V437 HydrophobicContact CG-CG2 4.17Å; I396-V437 HydrophobicContact CG2-CG1 4.03Å; N397-V437 HydrophobicContact CB-CG1 4.09Å; V433-V437 WeakPolarHBondContact O-CG2 3.48Å; V433-V437 PolarHBondContact O-N 2.97Å; V437-E440 PolarHBondContact O-N 2.92Å; V437-A441 WeakPolarHBondContact O-CB 3.27Å; V437-A441 PolarHBondContact O-N 2.98Å |
| 438 | A | 85.1 | Confident | 81.1 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.6 | -43.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L426 D434 Q435 M436 A441 L442 | L426-A438 HydrophobicContact CB-CB 3.85Å; D434-A438 VanDerWaalsContact O-CB 3.31Å; D434-A438 WeakPolarHBondContact O-CB 3.29Å; D434-A438 PolarHBondContact O-N 2.73Å; Q435-A438 PolarHBondContact O-N 2.93Å; M436-A438 VanDerWaalsContact C-N 3.32Å; M436-A438 PolarHBondContact O-N 2.87Å; A438-A441 PolarHBondContact O-N 3.34Å; A438-L442 WeakPolarHBondContact O-CG 3.47Å; A438-L442 PolarHBondContact O-N 2.78Å |
| 439 | V | 85.9 | Confident | 79.8 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.7 | -43.9 | 176.3 | 171 | 0 | 0 | 0 | 0 | 110.9 | Q435 M436 A441 L442 I443 L463 I466 R478 | Q435-V439 WeakPolarHBondContact O-CB 3.36Å; Q435-V439 VanDerWaalsContact O-CG2 3.24Å; Q435-V439 WeakPolarHBondContact O-CG2 3.41Å; Q435-V439 PolarHBondContact O-N 3.11Å; M436-V439 PolarHBondContact O-N 3.41Å; V439-A441 PolarHBondContact O-N 3.15Å; V439-L442 WeakPolarHBondContact O-CB 3.28Å; V439-L442 PolarHBondContact O-N 3.21Å; V439-I443 HydrophobicContact CG1-CD1 4.01Å; V439-I443 HydrophobicContact CG1-CG1 4.49Å; V439-I443 VanDerWaalsContact O-CG1 3.29Å; V439-I443 WeakPolarHBondContact O-CG1 3.26Å; V439-I443 PolarHBondContact O-N 3.35Å; V439-L463 HydrophobicContact CG1-CD2 3.94Å; V439-L463 HydrophobicContact CG2-CD2 4.3Å; V439-I466 HydrophobicContact CG2-CD1 3.68Å; V439-I466 HydrophobicContact CG2-CG2 4.43Å; V439-R478 HydrophobicContact CG1-CB 3.71Å |
| 440 | E | 83.8 | Confident | 78.5 | Confident | 25 Ų | 25 | 44.6 Ų | 44.6 | 12% | 0.117 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.9 | -42.5 | 177.3 | -70.9 | -177.7 | -175.5 | 0 | 0 | 112 | M436 V437 L442 I443 H444 R478 W527 | M436-E440 WeakPolarHBondContact O-CG 3.46Å; M436-E440 PolarHBondContact O-N 2.9Å; V437-E440 PolarHBondContact O-N 2.92Å; E440-L442 VanDerWaalsContact C-N 3.33Å; E440-L442 PolarHBondContact O-N 2.89Å; E440-I443 WeakPolarHBondContact O-CB 3.23Å; E440-I443 PolarHBondContact O-N 3.18Å; E440-H444 PolarHBondContact O-N 3.14Å; E440-H444 PolarHBondContact O-ND1 3.16Å; E440-R478 IonicContact OE1-CZ 2.91Å; E440-R478 VanDerWaalsContact OE1-CZ 3.31Å; E440-R478 IonicContact OE1-NE 2.67Å; E440-R478 PolarHBondContact OE1-NE 3.14Å; E440-R478 IonicContact OE1-NH2 3.57Å; E440-R478 PolarHBondContact OE1-NH2 3.15Å; E440-W527 HydrophobicContact CG-CH2 3.87Å; E440-W527 HydrophobicContact CG-CZ2 3.78Å; E440-W527 WeakPolarHBondContact OE1-CZ2 3.34Å |
| 441 | A | 82.7 | Confident | 77.2 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 3% | 0.025 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.4 | -39.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I396 M423 V437 A438 V439 H444 A445 | I396-A441 HydrophobicContact CG2-CB 3.78Å; M423-A441 HydrophobicContact CE-CB 3.73Å; V437-A441 WeakPolarHBondContact O-CB 3.27Å; V437-A441 PolarHBondContact O-N 2.98Å; A438-A441 PolarHBondContact O-N 3.34Å; V439-A441 PolarHBondContact O-N 3.15Å; A441-H444 PolarHBondContact O-N 3.44Å; A441-A445 WeakPolarHBondContact O-CB 3.24Å; A441-A445 PolarHBondContact O-N 3.22Å |
| 442 | L | 81.4 | Confident | 75.7 | Confident | 11 Ų | 11 | 39.7 Ų | 39.7 | 6% | 0.058 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63 | -41.7 | 173.6 | -73 | 172.4 | 0 | 0 | 0 | 112.1 | M423 A438 V439 E440 H444 A445 S446 F455 L463 | M423-L442 HydrophobicContact CE-CB 4.45Å; M423-L442 HydrophobicContact CE-CD2 3.54Å; M423-L442 HydrophobicContact CE-CG 3.61Å; A438-L442 WeakPolarHBondContact O-CG 3.47Å; A438-L442 PolarHBondContact O-N 2.78Å; V439-L442 WeakPolarHBondContact O-CB 3.28Å; V439-L442 PolarHBondContact O-N 3.21Å; E440-L442 VanDerWaalsContact C-N 3.33Å; E440-L442 PolarHBondContact O-N 2.89Å; L442-H444 VanDerWaalsContact C-N 3.33Å; L442-H444 PolarHBondContact O-N 2.98Å; L442-A445 PolarHBondContact O-N 3.21Å; L442-S446 PolarHBondContact O-N 3.45Å; L442-F455 HydrophobicContact CD2-CD1 3.9Å; L442-F455 HydrophobicContact CD2-CE1 3.81Å; L442-L463 HydrophobicContact CD1-CD2 4.19Å; L442-L463 HydrophobicContact CD1-CG 4.32Å |
| 443 | I | 81.4 | Confident | 74.5 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.4 | -42.9 | 177.4 | -65.1 | 165.5 | 0 | 0 | 0 | 110.4 | V439 E440 S446 R478 V481 K485 W527 | V439-I443 HydrophobicContact CG1-CD1 4.01Å; V439-I443 HydrophobicContact CG1-CG1 4.49Å; V439-I443 VanDerWaalsContact O-CG1 3.29Å; V439-I443 WeakPolarHBondContact O-CG1 3.26Å; V439-I443 PolarHBondContact O-N 3.35Å; E440-I443 WeakPolarHBondContact O-CB 3.23Å; E440-I443 PolarHBondContact O-N 3.18Å; I443-S446 PolarHBondContact O-N 3.42Å; I443-S446 PolarHBondContact O-OG 2.99Å; I443-R478 HydrophobicContact CD1-CB 4.33Å; I443-R478 WeakPolarHBondContact CD1-O 3.47Å; I443-V481 HydrophobicContact CD1-CB 4.41Å; I443-V481 HydrophobicContact CG2-CG1 4.48Å; I443-K485 HydrophobicContact CG2-CD 4.1Å; I443-K485 PolarHBondContact O-NZ 3.05Å; I443-W527 HydrophobicContact CD1-CE3 4.37Å; I443-W527 HydrophobicContact CD1-CH2 4.4Å; I443-W527 HydrophobicContact CD1-CZ3 3.84Å; I443-W527 HydrophobicContact CG2-CZ3 4.47Å |
| 444 | H | 80.9 | Confident | 73.4 | Confident | 10 Ų | 10 | 45 Ų | 45 | 5% | 0.046 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -72.3 | -33.1 | 179.3 | -57.6 | 149 | 0 | 0 | 0 | 112.9 | S400 L403 Q404 E440 A441 L442 S446 T447 | S400-H444 PolarHBondContact OG-CE1 3.06Å; S400-H444 VanDerWaalsContact OG-CE1 3.3Å; S400-H444 PolarHBondContact OG-ND1 3.19Å; L403-H444 HydrophobicContact CB-CB 3.81Å; L403-H444 HydrophobicContact CD1-CB 4.16Å; Q404-H444 HydrophobicContact CG-CB 4.41Å; Q404-H444 PolarHBondContact NE2-CE1 2.88Å; Q404-H444 PolarHBondContact NE2-ND1 3.24Å; Q404-H444 PolarHBondContact NE2-NE2 3.14Å; E440-H444 PolarHBondContact O-N 3.14Å; E440-H444 PolarHBondContact O-ND1 3.16Å; A441-H444 PolarHBondContact O-N 3.44Å; L442-H444 VanDerWaalsContact C-N 3.33Å; L442-H444 PolarHBondContact O-N 2.98Å; H444-S446 PolarHBondContact O-N 2.99Å; H444-T447 PolarHBondContact O-N 3.36Å; H444-T447 PolarHBondContact O-OG1 3.44Å |
| 445 | A | 77.8 | Confident | 72.4 | Confident | 7 Ų | 7 | 46 Ų | 46 | 6% | 0.058 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.4 | -29.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L403 A441 L442 T447 F455 | L403-A445 HydrophobicContact CD1-CB 4.09Å; A441-A445 WeakPolarHBondContact O-CB 3.24Å; A441-A445 PolarHBondContact O-N 3.22Å; L442-A445 PolarHBondContact O-N 3.21Å; A445-T447 PolarHBondContact O-N 3.34Å; A445-T447 VanDerWaalsContact O-N 3.13Å; A445-F455 HydrophobicContact CB-CD1 4.44Å |
| 446 | S | 73.9 | Confident | 71.4 | Confident | 16 Ų | 16 | 46.8 Ų | 46.8 | 11% | 0.112 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | 4.3 | -177.5 | 70.8 | 0 | 0 | 0 | 0 | 116.2 | L442 I443 H444 K448 K485 L486 | L442-S446 PolarHBondContact O-N 3.45Å; I443-S446 PolarHBondContact O-N 3.42Å; I443-S446 PolarHBondContact O-OG 2.99Å; H444-S446 PolarHBondContact O-N 2.99Å; S446-K448 PolarHBondContact O-N 3.4Å; S446-K485 VanDerWaalsContact OG-CD 3.3Å; S446-K485 WeakPolarHBondContact OG-CD 3.19Å; S446-K485 WeakPolarHBondContact OG-CE 3.5Å; S446-L486 VanDerWaalsContact CB-CD2 3.48Å |
| 447 | T | 68.5 | Low | 70.6 | Confident | 75 Ų | 75 | 50.7 Ų | 50.7 | 46% | 0.46 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -28.2 | -167.9 | -50.2 | 0 | 0 | 0 | 0 | 114.8 | H444 A445 K485 | H444-T447 PolarHBondContact O-N 3.36Å; H444-T447 PolarHBondContact O-OG1 3.44Å; A445-T447 PolarHBondContact O-N 3.34Å; A445-T447 VanDerWaalsContact O-N 3.13Å; T447-K485 PolarHBondContact OG1-NZ 2.93Å |
| 448 | K | 65.1 | Low | 70 | Confident | 117 Ų | 117 | 53.5 Ų | 53.5 | 51% | 0.509 | 28% | 0.282 | S | S | . | . | trans | -129.2 | 120.7 | 175.2 | -73.9 | -174 | 178.4 | 175.4 | 0 | 111.9 | F407 S446 S450 | F407-K448 HydrophobicContact CD1-CD 3.99Å; F407-K448 HydrophobicContact CD1-CG 4.5Å; F407-K448 HydrophobicContact CE1-CB 3.8Å; F407-K448 HydrophobicContact CE1-CD 3.81Å; F407-K448 HydrophobicContact CE1-CG 4.01Å; F407-K448 HydrophobicContact CZ-CB 3.79Å; F407-K448 HydrophobicContact CZ-CD 4.5Å; F407-K448 HydrophobicContact CZ-CG 4.21Å; S446-K448 PolarHBondContact O-N 3.4Å; K448-S450 PolarHBondContact O-N 2.9Å | ||
| 449 | M | 55 | Low | 69.4 | Low | 107 Ų | 107 | 53.7 Ų | 53.7 | 53% | 0.527 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -65.1 | -34.9 | -176.8 | -72 | 175.7 | 67.9 | 0 | 0 | 114.7 | R451 A489 | M449-R451 PolarHBondContact O-N 3.4Å; M449-R451 VanDerWaalsContact O-N 3.09Å; M449-A489 HydrophobicContact CE-CB 4.17Å; M449-A489 HydrophobicContact CG-CB 3.95Å; M449-A489 HydrophobicContact SD-CB 3.44Å; M449-A489 WeakPolarHBondContact SD-CB 3.48Å |
| 450 | S | 54.9 | Low | 68.9 | Low | 110 Ų | 110 | 55.4 Ų | 55.4 | 77% | 0.769 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -68.6 | -14.3 | -164.8 | 59.4 | 0 | 0 | 0 | 0 | 115 | K448 | K448-S450 PolarHBondContact O-N 2.9Š|
| 451 | R | 53 | Low | 68.7 | Low | 181 Ų | 181 | 57 Ų | 57 | 68% | 0.683 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -129 | 5 | -176.1 | -64.2 | -172 | 178.9 | 176.7 | 0.7 | 114.8 | M449 | M449-R451 PolarHBondContact O-N 3.4Å; M449-R451 VanDerWaalsContact O-N 3.09Å |
| 452 | A | 52 | Low | 68.6 | Low | 8 Ų | 8 | 58.3 Ų | 58.3 | 7% | 0.066 | 31% | 0.314 | C | S | . | . | trans | -126.6 | 18.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | F454 F455 I456 | A452-F454 PolarHBondContact O-N 2.92Å; A452-F454 VanDerWaalsContact O-N 3.17Å; A452-F455 PolarHBondContact O-N 3.46Å; A452-F455 VanDerWaalsContact O-N 3.09Å; A452-I456 HydrophobicContact CB-CD1 4.11Å; A452-I456 HydrophobicContact CB-CG1 4.32Å; A452-I456 WeakPolarHBondContact O-CB 3.45Å; A452-I456 WeakPolarHBondContact O-CG1 3.41Å; A452-I456 PolarHBondContact O-N 3.04Å | ||
| 453 | S | 59.3 | Low | 68.7 | Low | 86 Ų | 86 | 57.8 Ų | 57.8 | 60% | 0.601 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -53.7 | -38.4 | -177.4 | 56.9 | 0 | 0 | 0 | 0 | 113.7 | T457 | S453-T457 PolarHBondContact O-N 3.3Å; S453-T457 PolarHBondContact O-OG1 3.17Å |
| 454 | F | 61 | Low | 68.8 | Low | 138 Ų | 138 | 63 Ų | 63 | 61% | 0.605 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -65.3 | -45.8 | 177.4 | -178 | -100.7 | 0 | 0 | 0 | 112.5 | A452 N458 | A452-F454 PolarHBondContact O-N 2.92Å; A452-F454 VanDerWaalsContact O-N 3.17Å; F454-N458 PolarHBondContact O-N 3.43Å |
| 455 | F | 63.5 | Low | 68.9 | Low | 24 Ų | 24 | 66.1 Ų | 66.1 | 11% | 0.105 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -70.4 | -34.8 | 178 | -117.6 | -89.7 | 0 | 0 | 0 | 112.2 | V414 M420 M423 L442 A445 A452 G459 | V414-F455 HydrophobicContact CG1-CD2 3.78Å; V414-F455 HydrophobicContact CG1-CE1 4.08Å; V414-F455 HydrophobicContact CG1-CE2 3.21Å; V414-F455 HydrophobicContact CG1-CG 4.41Å; V414-F455 HydrophobicContact CG1-CZ 3.38Å; M420-F455 HydrophobicContact CB-CE2 3.92Å; M420-F455 HydrophobicContact CB-CZ 3.98Å; M420-F455 HydrophobicContact CE-CE1 4.38Å; M420-F455 HydrophobicContact CG-CE2 4.19Å; M420-F455 HydrophobicContact CG-CZ 4.14Å; M420-F455 HydrophobicContact SD-CD1 3.83Å; M420-F455 HydrophobicContact SD-CD2 4.16Å; M420-F455 HydrophobicContact SD-CE1 3.26Å; M420-F455 WeakPolarHBondContact SD-CE1 3.31Å; M420-F455 HydrophobicContact SD-CE2 3.64Å; M420-F455 HydrophobicContact SD-CG 4.25Å; M420-F455 HydrophobicContact SD-CZ 3.16Å; M420-F455 WeakPolarHBondContact SD-CZ 3.31Å; M423-F455 HydrophobicContact CE-CE1 3.88Å; M423-F455 HydrophobicContact SD-CE1 3.56Å; M423-F455 VanDerWaalsContact SD-CE1 3.56Å; M423-F455 HydrophobicContact SD-CZ 3.58Å; M423-F455 VanDerWaalsContact SD-CZ 3.58Å; L442-F455 HydrophobicContact CD2-CD1 3.9Å; L442-F455 HydrophobicContact CD2-CE1 3.81Å; A445-F455 HydrophobicContact CB-CD1 4.44Å; A452-F455 PolarHBondContact O-N 3.46Å; A452-F455 VanDerWaalsContact O-N 3.09Å; F455-G459 VanDerWaalsContact O-CA 3.25Å; F455-G459 WeakPolarHBondContact O-CA 3.25Å; F455-G459 PolarHBondContact O-N 3.31Å |
| 456 | I | 64.2 | Low | 69.2 | Low | 42 Ų | 42 | 66.2 Ų | 66.2 | 22% | 0.215 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.3 | -46.8 | 176.7 | -70.3 | 166 | 0 | 0 | 0 | 110.3 | A452 N458 G459 V460 L486 | A452-I456 HydrophobicContact CB-CD1 4.11Å; A452-I456 HydrophobicContact CB-CG1 4.32Å; A452-I456 WeakPolarHBondContact O-CB 3.45Å; A452-I456 WeakPolarHBondContact O-CG1 3.41Å; A452-I456 PolarHBondContact O-N 3.04Å; I456-N458 PolarHBondContact O-N 3.46Å; I456-G459 PolarHBondContact O-N 2.88Å; I456-V460 VanDerWaalsContact O-CG2 3.25Å; I456-V460 WeakPolarHBondContact O-CG2 3.26Å; I456-V460 PolarHBondContact O-N 3.06Å; I456-L486 HydrophobicContact CB-CD2 4.28Å; I456-L486 HydrophobicContact CG1-CD2 3.77Å; I456-L486 HydrophobicContact CG2-CD2 3.92Å |
| 457 | T | 68.1 | Low | 69.7 | Low | 100 Ų | 100 | 68.2 Ų | 68.2 | 61% | 0.613 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -63.5 | -46.6 | -176.5 | -52.3 | 0 | 0 | 0 | 0 | 111.6 | S453 | S453-T457 PolarHBondContact O-N 3.3Å; S453-T457 PolarHBondContact O-OG1 3.17Å |
| 458 | N | 72.4 | Confident | 70.4 | Confident | 64 Ų | 64 | 72.5 Ų | 72.5 | 34% | 0.342 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -78.6 | -30.2 | 178.6 | -65.4 | -20.3 | 0 | 0 | 0 | 112.5 | F454 I456 S461 L462 | F454-N458 PolarHBondContact O-N 3.43Å; I456-N458 PolarHBondContact O-N 3.46Å; N458-S461 PolarHBondContact O-OG 3.29Å; N458-L462 WeakPolarHBondContact O-CD1 3.29Å; N458-L462 VanDerWaalsContact O-CG 3.3Å; N458-L462 WeakPolarHBondContact O-CG 3.38Å; N458-L462 PolarHBondContact O-N 3.44Å |
| 459 | G | 72.9 | Confident | 71.2 | Confident | 3 Ų | 3 | 74.6 Ų | 74.6 | 3% | 0.031 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -68.9 | -36.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | F455 I456 S461 L462 L463 | F455-G459 VanDerWaalsContact O-CA 3.25Å; F455-G459 WeakPolarHBondContact O-CA 3.25Å; F455-G459 PolarHBondContact O-N 3.31Å; I456-G459 PolarHBondContact O-N 2.88Å; G459-S461 PolarHBondContact O-N 2.95Å; G459-L462 PolarHBondContact O-N 3.24Å; G459-L463 WeakPolarHBondContact O-CB 3.36Å; G459-L463 VanDerWaalsContact O-CG 3.25Å; G459-L463 WeakPolarHBondContact O-CG 3.45Å; G459-L463 PolarHBondContact O-N 2.98Å |
| 460 | V | 75.5 | Confident | 72.5 | Confident | 37 Ų | 37 | 70.5 Ų | 70.5 | 22% | 0.224 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.1 | -42 | 177.7 | 170.5 | 0 | 0 | 0 | 0 | 111.7 | I456 K464 L483 L486 | I456-V460 VanDerWaalsContact O-CG2 3.25Å; I456-V460 WeakPolarHBondContact O-CG2 3.26Å; I456-V460 PolarHBondContact O-N 3.06Å; V460-K464 HydrophobicContact CG1-CD 4.03Å; V460-K464 HydrophobicContact CG1-CG 4.49Å; V460-K464 WeakPolarHBondContact O-CB 3.49Å; V460-K464 VanDerWaalsContact O-CG 3.29Å; V460-K464 WeakPolarHBondContact O-CG 3.27Å; V460-K464 PolarHBondContact O-N 3.37Å; V460-L483 HydrophobicContact CG1-CD2 4.41Å; V460-L486 HydrophobicContact CG2-CB 4.47Å; V460-L486 HydrophobicContact CG2-CD1 3.69Å |
| 461 | S | 79.5 | Confident | 73.6 | Confident | 59 Ų | 59 | 75 Ų | 75 | 41% | 0.413 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66 | -45.4 | 178.4 | 55.3 | 0 | 0 | 0 | 0 | 111.1 | N458 G459 L463 K464 D465 | N458-S461 PolarHBondContact O-OG 3.29Å; G459-S461 PolarHBondContact O-N 2.95Å; S461-L463 PolarHBondContact O-N 3.48Å; S461-K464 PolarHBondContact O-N 3.27Å; S461-D465 PolarHBondContact O-N 2.88Å |
| 462 | L | 80.2 | Confident | 75 | Confident | 29 Ų | 29 | 68.7 Ų | 68.7 | 15% | 0.152 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.3 | -47.8 | 176.6 | -67.2 | 167.6 | 0 | 0 | 0 | 112.2 | M420 V424 N458 G459 K464 D465 I466 | M420-L462 HydrophobicContact CE-CD1 3.73Å; V424-L462 HydrophobicContact CG1-CD2 4.42Å; V424-L462 HydrophobicContact CG2-CD1 4.1Å; N458-L462 WeakPolarHBondContact O-CD1 3.29Å; N458-L462 VanDerWaalsContact O-CG 3.3Å; N458-L462 WeakPolarHBondContact O-CG 3.38Å; N458-L462 PolarHBondContact O-N 3.44Å; G459-L462 PolarHBondContact O-N 3.24Å; L462-K464 PolarHBondContact O-N 3Å; L462-D465 PolarHBondContact O-N 3.11Å; L462-I466 VanDerWaalsContact O-CG1 3.31Å; L462-I466 WeakPolarHBondContact O-CG1 3.43Å; L462-I466 PolarHBondContact O-N 2.93Å |
| 463 | L | 82.9 | Confident | 76.5 | Confident | 1 Ų | 1 | 72.5 Ų | 72.5 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.8 | -38.2 | 179 | -70.1 | 170.6 | 0 | 0 | 0 | 112.3 | V439 L442 G459 S461 D465 Y467 A479 L483 L486 | V439-L463 HydrophobicContact CG1-CD2 3.94Å; V439-L463 HydrophobicContact CG2-CD2 4.3Å; L442-L463 HydrophobicContact CD1-CD2 4.19Å; L442-L463 HydrophobicContact CD1-CG 4.32Å; G459-L463 WeakPolarHBondContact O-CB 3.36Å; G459-L463 VanDerWaalsContact O-CG 3.25Å; G459-L463 WeakPolarHBondContact O-CG 3.45Å; G459-L463 PolarHBondContact O-N 2.98Å; S461-L463 PolarHBondContact O-N 3.48Å; L463-D465 VanDerWaalsContact C-N 3.35Å; L463-Y467 VanDerWaalsContact O-CB 3.25Å; L463-Y467 WeakPolarHBondContact O-CB 3.41Å; L463-Y467 PolarHBondContact O-N 3.37Å; L463-A479 HydrophobicContact CD2-CB 4.39Å; L463-L483 HydrophobicContact CB-CD2 3.87Å; L463-L483 HydrophobicContact CB-CG 4.07Å; L463-L486 HydrophobicContact CD1-CD1 3.84Å |
| 464 | K | 83.1 | Confident | 77.6 | Confident | 108 Ų | 108 | 72.9 Ų | 72.9 | 47% | 0.47 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.1 | -40.6 | 174.4 | -79.1 | 176.8 | -178.6 | 174.4 | 0 | 111.7 | V460 S461 L462 Y467 K468 L483 | V460-K464 HydrophobicContact CG1-CD 4.03Å; V460-K464 HydrophobicContact CG1-CG 4.49Å; V460-K464 WeakPolarHBondContact O-CB 3.49Å; V460-K464 VanDerWaalsContact O-CG 3.29Å; V460-K464 WeakPolarHBondContact O-CG 3.27Å; V460-K464 PolarHBondContact O-N 3.37Å; S461-K464 PolarHBondContact O-N 3.27Å; L462-K464 PolarHBondContact O-N 3Å; K464-Y467 PolarHBondContact O-N 3.1Å; K464-K468 WeakPolarHBondContact O-CG 3.49Å; K464-K468 PolarHBondContact O-N 3.38Å; K464-K468 VanDerWaalsContact O-N 3.15Å; K464-L483 HydrophobicContact CG-CD1 4.29Å; K464-L483 HydrophobicContact CG-CD2 3.86Å |
| 465 | D | 83.2 | Confident | 78.8 | Confident | 76 Ų | 76 | 66.4 Ų | 66.4 | 41% | 0.406 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.3 | -45.3 | 179 | -78.9 | -3.3 | 0 | 0 | 0 | 111.4 | S461 L462 L463 Y467 K468 K469 | S461-D465 PolarHBondContact O-N 2.88Å; L462-D465 PolarHBondContact O-N 3.11Å; L463-D465 VanDerWaalsContact C-N 3.35Å; D465-Y467 PolarHBondContact O-N 3.01Å; D465-K468 PolarHBondContact O-N 3.21Å; D465-K469 WeakPolarHBondContact O-CB 3.35Å; D465-K469 WeakPolarHBondContact O-CG 3.29Å; D465-K469 PolarHBondContact O-N 3.04Å |
| 466 | I | 84.1 | Confident | 79.9 | Confident | 10 Ų | 10 | 68.4 Ų | 68.4 | 5% | 0.051 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.2 | -46.5 | 174.5 | -67.3 | 169.4 | 0 | 0 | 0 | 110.5 | C427 V439 L462 K468 K469 T470 I475 A479 | C427-I466 HydrophobicContact CB-CD1 4.02Å; V439-I466 HydrophobicContact CG2-CD1 3.68Å; V439-I466 HydrophobicContact CG2-CG2 4.43Å; L462-I466 VanDerWaalsContact O-CG1 3.31Å; L462-I466 WeakPolarHBondContact O-CG1 3.43Å; L462-I466 PolarHBondContact O-N 2.93Å; I466-K468 PolarHBondContact O-N 3.05Å; I466-K469 PolarHBondContact O-N 3.42Å; I466-T470 VanDerWaalsContact O-CB 3.27Å; I466-T470 WeakPolarHBondContact O-CB 3.49Å; I466-T470 PolarHBondContact O-N 3.32Å; I466-T470 PolarHBondContact O-OG1 3.21Å; I466-I475 HydrophobicContact CG2-CG2 3.47Å; I466-I475 VanDerWaalsContact CG2-CG2 3.47Å; I466-A479 HydrophobicContact CG2-CB 4.05Å |
| 467 | Y | 84.8 | Confident | 81 | Confident | 57 Ų | 57 | 66.5 Ų | 66.5 | 22% | 0.224 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.9 | -33.5 | -179.8 | -178.6 | -98.1 | 0 | 0 | 0 | 113.3 | L463 K464 D465 K476 L480 W514 | L463-Y467 VanDerWaalsContact O-CB 3.25Å; L463-Y467 WeakPolarHBondContact O-CB 3.41Å; L463-Y467 PolarHBondContact O-N 3.37Å; K464-Y467 PolarHBondContact O-N 3.1Å; D465-Y467 PolarHBondContact O-N 3.01Å; Y467-K476 HydrophobicContact CD2-CG 3.71Å; Y467-K476 HydrophobicContact CE2-CD 4.47Å; Y467-K476 HydrophobicContact CE2-CG 3.74Å; Y467-L480 HydrophobicContact CD2-CB 4.17Å; Y467-L480 HydrophobicContact CE2-CB 3.93Å; Y467-L480 HydrophobicContact CE2-CD1 4.2Å; Y467-L480 HydrophobicContact CE2-CG 4.47Å; Y467-W514 HydrophobicContact CE2-CH2 4.27Å |
| 468 | K | 84.6 | Confident | 81.8 | Confident | 166 Ų | 166 | 62.7 Ų | 62.7 | 72% | 0.722 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -83.3 | -41 | 179 | -72.5 | 177.3 | -178.1 | 179.4 | 0 | 113.2 | K464 D465 I466 | K464-K468 WeakPolarHBondContact O-CG 3.49Å; K464-K468 PolarHBondContact O-N 3.38Å; K464-K468 VanDerWaalsContact O-N 3.15Å; D465-K468 PolarHBondContact O-N 3.21Å; I466-K468 PolarHBondContact O-N 3.05Å |
| 469 | K | 81.9 | Confident | 82.5 | Confident | 161 Ų | 161 | 59.7 Ų | 59.7 | 70% | 0.7 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -82.2 | -35 | -172.7 | -69.9 | 176.6 | -178.8 | 173.1 | 0 | 112.7 | D465 I466 | D465-K469 WeakPolarHBondContact O-CB 3.35Å; D465-K469 WeakPolarHBondContact O-CG 3.29Å; D465-K469 PolarHBondContact O-N 3.04Å; I466-K469 PolarHBondContact O-N 3.42Å |
| 470 | T | 80.6 | Confident | 83.1 | Confident | 21 Ų | 21 | 59.7 Ų | 59.7 | 13% | 0.129 | 28% | 0.279 | C | S | . | . | trans | -82 | 130.5 | -170.1 | -56.1 | 0 | 0 | 0 | 0 | 112.2 | I466 N472 I475 | I466-T470 VanDerWaalsContact O-CB 3.27Å; I466-T470 WeakPolarHBondContact O-CB 3.49Å; I466-T470 PolarHBondContact O-N 3.32Å; I466-T470 PolarHBondContact O-OG1 3.21Å; T470-N472 HydrophobicContact CG2-CB 3.84Å; T470-I475 HydrophobicContact CG2-CB 3.94Å; T470-I475 HydrophobicContact CG2-CD1 4.19Å; T470-I475 HydrophobicContact CG2-CG2 4.09Å | ||
| 471 | K | 78.1 | Confident | 83.5 | Confident | 203 Ų | 203 | 58 Ų | 58 | 88% | 0.883 | 27% | 0.269 | S | S | * | . | trans | -87.7 | -22.1 | 173.4 | -63.4 | -175.6 | -177.9 | 177.1 | 0 | 113 | E473 | K471-E473 PolarHBondContact O-N 3.27Š| ||
| 472 | N | 83.5 | Confident | 83.5 | Confident | 49 Ų | 49 | 55.2 Ų | 55.2 | 26% | 0.262 | 25% | 0.249 | S | C | . | . | trans | -68.2 | 117.1 | 178.6 | -171.5 | -21.8 | 0 | 0 | 0 | 110.7 | D432 T470 K474 I475 K476 | D432-N472 PolarHBondContact OD2-ND2 3.47Å; T470-N472 HydrophobicContact CG2-CB 3.84Å; N472-K474 PolarHBondContact O-N 3.45Å; N472-K474 WeakPolarHBondContact OD1-CB 3.48Å; N472-K474 PolarHBondContact OD1-N 2.86Å; N472-I475 HydrophobicContact CB-CD1 4.36Å; N472-I475 PolarHBondContact O-N 3.49Å; N472-K476 WeakPolarHBondContact O-CB 3.41Å; N472-K476 PolarHBondContact O-N 3.01Å; N472-K476 VanDerWaalsContact O-N 3.1Å | ||
| 473 | E | 82.2 | Confident | 83.5 | Confident | 88 Ų | 88 | 55 Ų | 55 | 41% | 0.411 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.6 | -31.8 | -179.1 | -62.6 | -165.1 | 143.4 | 0 | 0 | 112.5 | K471 I475 K476 I477 I520 | K471-E473 PolarHBondContact O-N 3.27Å; E473-I475 PolarHBondContact O-N 3.14Å; E473-K476 PolarHBondContact O-N 2.98Å; E473-I477 WeakPolarHBondContact O-CB 3.26Å; E473-I477 VanDerWaalsContact O-CG1 3.23Å; E473-I477 WeakPolarHBondContact O-CG1 3.27Å; E473-I477 PolarHBondContact O-N 3.38Å; E473-I520 WeakPolarHBondContact OE2-CD1 3.32Å; E473-I520 WeakPolarHBondContact OE2-CG1 3.3Å |
| 474 | K | 83.4 | Confident | 83.3 | Confident | 95 Ų | 95 | 55 Ų | 55 | 41% | 0.413 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.2 | -41.1 | -178.8 | -65.2 | -173.2 | 177.1 | -179.4 | 0 | 113.1 | N472 R478 T524 | N472-K474 PolarHBondContact O-N 3.45Å; N472-K474 WeakPolarHBondContact OD1-CB 3.48Å; N472-K474 PolarHBondContact OD1-N 2.86Å; K474-R478 WeakPolarHBondContact O-CG 3.47Å; K474-R478 PolarHBondContact O-NH1 3.04Å; K474-T524 HydrophobicContact CB-CG2 4.44Å; K474-T524 HydrophobicContact CG-CG2 4.18Å |
| 475 | I | 85.3 | Confident | 83.1 | Confident | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -81.2 | -39 | -180 | -62.1 | 169.3 | 0 | 0 | 0 | 109.2 | D432 Q435 I466 T470 N472 E473 I477 R478 A479 | D432-I475 HydrophobicContact CB-CD1 4.12Å; Q435-I475 HydrophobicContact CB-CD1 4.07Å; I466-I475 HydrophobicContact CG2-CG2 3.47Å; I466-I475 VanDerWaalsContact CG2-CG2 3.47Å; T470-I475 HydrophobicContact CG2-CB 3.94Å; T470-I475 HydrophobicContact CG2-CD1 4.19Å; T470-I475 HydrophobicContact CG2-CG2 4.09Å; N472-I475 HydrophobicContact CB-CD1 4.36Å; N472-I475 PolarHBondContact O-N 3.49Å; E473-I475 PolarHBondContact O-N 3.14Å; I475-I477 PolarHBondContact O-N 2.82Å; I475-R478 PolarHBondContact O-N 3.35Å; I475-A479 WeakPolarHBondContact O-CB 3.48Å; I475-A479 PolarHBondContact O-N 3.49Å |
| 476 | K | 87.1 | Confident | 82.7 | Confident | 65 Ų | 65 | 48.4 Ų | 48.4 | 28% | 0.283 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61 | -42.2 | 179.3 | -168.7 | 171.9 | -173.9 | 170.6 | 0 | 112.9 | Y467 N472 E473 L480 W514 | Y467-K476 HydrophobicContact CD2-CG 3.71Å; Y467-K476 HydrophobicContact CE2-CD 4.47Å; Y467-K476 HydrophobicContact CE2-CG 3.74Å; N472-K476 WeakPolarHBondContact O-CB 3.41Å; N472-K476 PolarHBondContact O-N 3.01Å; N472-K476 VanDerWaalsContact O-N 3.1Å; E473-K476 PolarHBondContact O-N 2.98Å; K476-L480 PolarHBondContact O-N 3.34Å; K476-L480 VanDerWaalsContact O-N 3.07Å; K476-W514 HydrophobicContact CD-CZ2 4.39Å; K476-W514 HydrophobicContact CG-CH2 4.33Å; K476-W514 HydrophobicContact CG-CZ2 4.43Å |
| 477 | I | 87.2 | Confident | 81.9 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.2 | -47.8 | 177.7 | -67.3 | 166.9 | 0 | 0 | 0 | 110.1 | E473 I475 A479 L480 V481 W514 I520 T524 W527 A528 | E473-I477 WeakPolarHBondContact O-CB 3.26Å; E473-I477 VanDerWaalsContact O-CG1 3.23Å; E473-I477 WeakPolarHBondContact O-CG1 3.27Å; E473-I477 PolarHBondContact O-N 3.38Å; I475-I477 PolarHBondContact O-N 2.82Å; I477-A479 PolarHBondContact O-N 3.47Å; I477-L480 WeakPolarHBondContact O-CB 3.27Å; I477-L480 PolarHBondContact O-N 3.28Å; I477-L480 VanDerWaalsContact O-N 3.15Å; I477-V481 WeakPolarHBondContact O-CG2 3.28Å; I477-V481 PolarHBondContact O-N 2.82Å; I477-W514 HydrophobicContact CB-CE3 4.47Å; I477-W514 HydrophobicContact CB-CZ3 4.34Å; I477-W514 HydrophobicContact CD1-CB 4.21Å; I477-W514 HydrophobicContact CD1-CD2 3.92Å; I477-W514 HydrophobicContact CD1-CE3 4.2Å; I477-W514 HydrophobicContact CD1-CG 3.95Å; I477-W514 HydrophobicContact CG1-CD2 3.66Å; I477-W514 HydrophobicContact CG1-CE3 3.55Å; I477-W514 HydrophobicContact CG1-CG 4.24Å; I477-W514 HydrophobicContact CG1-CH2 3.95Å; I477-W514 HydrophobicContact CG1-CZ2 4.09Å; I477-W514 HydrophobicContact CG1-CZ3 3.66Å; I477-W514 HydrophobicContact CG2-CE3 4.46Å; I477-I520 HydrophobicContact CD1-CD1 4.31Å; I477-T524 HydrophobicContact CB-CG2 4.45Å; I477-T524 HydrophobicContact CD1-CG2 3.51Å; I477-T524 HydrophobicContact CG1-CG2 4.49Å; I477-W527 HydrophobicContact CG2-CB 3.58Å; I477-A528 HydrophobicContact CG2-CB 4.41Å |
| 478 | R | 86.3 | Confident | 81.1 | Confident | 21 Ų | 21 | 47.6 Ų | 47.6 | 8% | 0.079 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60 | -44.6 | 176.8 | -71.3 | 173.8 | 170.3 | 94.9 | -12.2 | 112.7 | M436 V439 E440 I443 K474 I475 L480 V481 G482 W527 | M436-R478 PolarHBondContact SD-NH2 2.98Å; V439-R478 HydrophobicContact CG1-CB 3.71Å; E440-R478 IonicContact OE1-CZ 2.91Å; E440-R478 VanDerWaalsContact OE1-CZ 3.31Å; E440-R478 IonicContact OE1-NE 2.67Å; E440-R478 PolarHBondContact OE1-NE 3.14Å; E440-R478 IonicContact OE1-NH2 3.57Å; E440-R478 PolarHBondContact OE1-NH2 3.15Å; I443-R478 HydrophobicContact CD1-CB 4.33Å; I443-R478 WeakPolarHBondContact CD1-O 3.47Å; K474-R478 WeakPolarHBondContact O-CG 3.47Å; K474-R478 PolarHBondContact O-NH1 3.04Å; I475-R478 PolarHBondContact O-N 3.35Å; R478-L480 PolarHBondContact O-N 2.98Å; R478-V481 WeakPolarHBondContact O-CB 3.29Å; R478-V481 PolarHBondContact O-N 2.77Å; R478-V481 VanDerWaalsContact O-N 3.08Å; R478-G482 PolarHBondContact O-N 3.28Å; R478-W527 HydrophobicContact CG-CD2 3.76Å; R478-W527 HydrophobicContact CG-CE3 4.31Å; R478-W527 HydrophobicContact CG-CG 3.85Å; R478-W527 HydrophobicContact CG-CZ2 4.42Å |
| 479 | A | 86.2 | Confident | 79.9 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.5 | -39 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L463 I466 I475 I477 G482 L483 | L463-A479 HydrophobicContact CD2-CB 4.39Å; I466-A479 HydrophobicContact CG2-CB 4.05Å; I475-A479 WeakPolarHBondContact O-CB 3.48Å; I475-A479 PolarHBondContact O-N 3.49Å; I477-A479 PolarHBondContact O-N 3.47Å; A479-G482 PolarHBondContact O-N 3.05Å; A479-L483 WeakPolarHBondContact O-CG 3.49Å; A479-L483 PolarHBondContact O-N 2.75Å; A479-L483 VanDerWaalsContact O-N 3.17Å |
| 480 | L | 86.1 | Confident | 78.7 | Confident | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.016 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.6 | -43.8 | 173.8 | -177.5 | 65.7 | 0 | 0 | 0 | 112.1 | Y467 K476 I477 R478 G482 L483 C484 L507 W514 | Y467-L480 HydrophobicContact CD2-CB 4.17Å; Y467-L480 HydrophobicContact CE2-CB 3.93Å; Y467-L480 HydrophobicContact CE2-CD1 4.2Å; Y467-L480 HydrophobicContact CE2-CG 4.47Å; K476-L480 PolarHBondContact O-N 3.34Å; K476-L480 VanDerWaalsContact O-N 3.07Å; I477-L480 WeakPolarHBondContact O-CB 3.27Å; I477-L480 PolarHBondContact O-N 3.28Å; I477-L480 VanDerWaalsContact O-N 3.15Å; R478-L480 PolarHBondContact O-N 2.98Å; L480-G482 VanDerWaalsContact C-N 3.29Å; L480-G482 PolarHBondContact O-N 3.39Å; L480-L483 CarbonylContact O-C 3.55Å; L480-L483 WeakPolarHBondContact O-CA 3.33Å; L480-L483 WeakPolarHBondContact O-CB 3.4Å; L480-L483 PolarHBondContact O-N 3.46Å; L480-C484 PolarHBondContact O-N 2.89Å; L480-C484 PolarHBondContact O-SG 3.35Å; L480-L507 HydrophobicContact CD1-CD1 4.19Å; L480-L507 HydrophobicContact CD1-CD2 3.59Å; L480-L507 HydrophobicContact CD1-CG 4.31Å; L480-W514 HydrophobicContact CB-CZ3 4.41Å; L480-W514 HydrophobicContact CD2-CE3 4.45Å; L480-W514 HydrophobicContact CD2-CH2 4.14Å; L480-W514 HydrophobicContact CD2-CZ3 3.49Å; L480-W514 VanDerWaalsContact CD2-CZ3 3.49Å |
| 481 | V | 82.9 | Confident | 77.7 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.3 | -44.8 | 177.4 | 177.9 | 0 | 0 | 0 | 0 | 111.2 | I443 I477 R478 L483 C484 K485 W527 E530 Y534 | I443-V481 HydrophobicContact CD1-CB 4.41Å; I443-V481 HydrophobicContact CG2-CG1 4.48Å; I477-V481 WeakPolarHBondContact O-CG2 3.28Å; I477-V481 PolarHBondContact O-N 2.82Å; R478-V481 WeakPolarHBondContact O-CB 3.29Å; R478-V481 PolarHBondContact O-N 2.77Å; R478-V481 VanDerWaalsContact O-N 3.08Å; V481-L483 VanDerWaalsContact C-N 3.3Å; V481-L483 PolarHBondContact O-N 2.89Å; V481-C484 PolarHBondContact O-N 3.01Å; V481-K485 WeakPolarHBondContact O-CB 3.34Å; V481-K485 PolarHBondContact O-N 2.92Å; V481-W527 HydrophobicContact CB-CE3 4.38Å; V481-W527 HydrophobicContact CG1-CE3 4.24Å; V481-W527 HydrophobicContact CG2-CB 4.04Å; V481-W527 HydrophobicContact CG2-CE3 4.24Å; V481-W527 WeakPolarHBondContact CG2-O 3.3Å; V481-E530 HydrophobicContact CG1-CB 4.24Å; V481-E530 HydrophobicContact CG1-CG 3.93Å; V481-Y534 HydrophobicContact CG1-CE2 4.39Å |
| 482 | G | 79.7 | Confident | 76.6 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.5 | -42.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | R478 A479 L480 L486 | R478-G482 PolarHBondContact O-N 3.28Å; A479-G482 PolarHBondContact O-N 3.05Å; L480-G482 VanDerWaalsContact C-N 3.29Å; L480-G482 PolarHBondContact O-N 3.39Å; G482-L486 WeakPolarHBondContact O-CB 3.45Å; G482-L486 WeakPolarHBondContact O-CD1 3.49Å; G482-L486 WeakPolarHBondContact O-CG 3.29Å; G482-L486 PolarHBondContact O-N 3.37Å |
| 483 | L | 79.7 | Confident | 75.5 | Confident | 24 Ų | 24 | 29.4 Ų | 29.4 | 13% | 0.126 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.7 | -43.5 | 175.4 | -65.8 | 171.2 | 0 | 0 | 0 | 112.4 | V460 L463 K464 A479 L480 V481 L486 G487 | V460-L483 HydrophobicContact CG1-CD2 4.41Å; L463-L483 HydrophobicContact CB-CD2 3.87Å; L463-L483 HydrophobicContact CB-CG 4.07Å; K464-L483 HydrophobicContact CG-CD1 4.29Å; K464-L483 HydrophobicContact CG-CD2 3.86Å; A479-L483 WeakPolarHBondContact O-CG 3.49Å; A479-L483 PolarHBondContact O-N 2.75Å; A479-L483 VanDerWaalsContact O-N 3.17Å; L480-L483 CarbonylContact O-C 3.55Å; L480-L483 WeakPolarHBondContact O-CA 3.33Å; L480-L483 WeakPolarHBondContact O-CB 3.4Å; L480-L483 PolarHBondContact O-N 3.46Å; V481-L483 VanDerWaalsContact C-N 3.3Å; V481-L483 PolarHBondContact O-N 2.89Å; L483-L486 PolarHBondContact O-N 2.93Å; L483-G487 PolarHBondContact O-N 3.32Å |
| 484 | C | 80.6 | Confident | 74.4 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.007 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.4 | -45.4 | 178.1 | -68.5 | 0 | 0 | 0 | 0 | 111.7 | L480 V481 G487 S488 L535 | L480-C484 PolarHBondContact O-N 2.89Å; L480-C484 PolarHBondContact O-SG 3.35Å; V481-C484 PolarHBondContact O-N 3.01Å; C484-G487 PolarHBondContact O-N 3.5Å; C484-S488 WeakPolarHBondContact O-CB 3.37Å; C484-S488 PolarHBondContact O-N 2.89Å; C484-L535 HydrophobicContact CB-CD2 4.28Å; C484-L535 HydrophobicContact CB-CG 4.26Å |
| 485 | K | 78.5 | Confident | 73 | Confident | 23 Ų | 23 | 27.2 Ų | 27.2 | 10% | 0.1 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.5 | -44.6 | 177.8 | -174.1 | 171.7 | 177.8 | -176.7 | 0 | 111.5 | I443 S446 T447 V481 G487 S488 Y534 | I443-K485 HydrophobicContact CG2-CD 4.1Å; I443-K485 PolarHBondContact O-NZ 3.05Å; S446-K485 VanDerWaalsContact OG-CD 3.3Å; S446-K485 WeakPolarHBondContact OG-CD 3.19Å; S446-K485 WeakPolarHBondContact OG-CE 3.5Å; T447-K485 PolarHBondContact OG1-NZ 2.93Å; V481-K485 WeakPolarHBondContact O-CB 3.34Å; V481-K485 PolarHBondContact O-N 2.92Å; K485-G487 VanDerWaalsContact C-N 3.33Å; K485-G487 PolarHBondContact O-N 3.41Å; K485-S488 PolarHBondContact O-N 3.5Å; K485-Y534 HydrophobicContact CB-CD1 4.46Å; K485-Y534 HydrophobicContact CB-CD2 3.87Å; K485-Y534 HydrophobicContact CB-CE1 4.42Å; K485-Y534 HydrophobicContact CB-CE2 3.8Å; K485-Y534 HydrophobicContact CB-CG 4.21Å; K485-Y534 HydrophobicContact CD-CE1 4.26Å; K485-Y534 HydrophobicContact CD-CE2 3.87Å; K485-Y534 WeakPolarHBondContact CD-OH 3.25Å; K485-Y534 WeakPolarHBondContact CE-OH 3.16Å; K485-Y534 HydrophobicContact CG-CD1 4.28Å; K485-Y534 HydrophobicContact CG-CD2 4.32Å; K485-Y534 HydrophobicContact CG-CE1 3.87Å; K485-Y534 HydrophobicContact CG-CE2 3.89Å |
| 486 | L | 73.4 | Confident | 71.6 | Confident | 24 Ų | 24 | 31.7 Ų | 31.7 | 13% | 0.126 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.5 | -32.7 | 178.3 | -74.9 | 168.6 | 0 | 0 | 0 | 113.4 | S446 I456 V460 L463 G482 L483 A489 Q498 | S446-L486 VanDerWaalsContact CB-CD2 3.48Å; I456-L486 HydrophobicContact CB-CD2 4.28Å; I456-L486 HydrophobicContact CG1-CD2 3.77Å; I456-L486 HydrophobicContact CG2-CD2 3.92Å; V460-L486 HydrophobicContact CG2-CB 4.47Å; V460-L486 HydrophobicContact CG2-CD1 3.69Å; L463-L486 HydrophobicContact CD1-CD1 3.84Å; G482-L486 WeakPolarHBondContact O-CB 3.45Å; G482-L486 WeakPolarHBondContact O-CD1 3.49Å; G482-L486 WeakPolarHBondContact O-CG 3.29Å; G482-L486 PolarHBondContact O-N 3.37Å; L483-L486 PolarHBondContact O-N 2.93Å; L486-A489 WeakPolarHBondContact O-CB 3.35Å; L486-Q498 PolarHBondContact O-OE1 2.82Å; L486-Q498 VanDerWaalsContact O-OE1 3.06Å |
| 487 | G | 67.8 | Low | 70.2 | Confident | 13 Ų | 13 | 32.4 Ų | 32.4 | 13% | 0.134 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -90.9 | -5.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L483 C484 K485 A489 Q498 F499 | L483-G487 PolarHBondContact O-N 3.32Å; C484-G487 PolarHBondContact O-N 3.5Å; K485-G487 VanDerWaalsContact C-N 3.33Å; K485-G487 PolarHBondContact O-N 3.41Å; G487-A489 PolarHBondContact O-N 3.17Å; G487-Q498 VanDerWaalsContact CA-OE1 3.22Å; G487-Q498 WeakPolarHBondContact O-CB 3.47Å; G487-Q498 PolarHBondContact O-OE1 3.01Å; G487-Q498 VanDerWaalsContact O-OE1 3.08Å; G487-F499 VanDerWaalsContact C-CE2 3.45Å; G487-F499 VanDerWaalsContact CA-CZ 3.44Å |
| 488 | S | 68 | Low | 68.8 | Low | 36 Ų | 36 | 36.7 Ų | 36.7 | 25% | 0.252 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 3.2 | 168.7 | -176.2 | 0 | 0 | 0 | 0 | 112.5 | C484 K485 G490 G491 | C484-S488 WeakPolarHBondContact O-CB 3.37Å; C484-S488 PolarHBondContact O-N 2.89Å; K485-S488 PolarHBondContact O-N 3.5Å; S488-G490 PolarHBondContact O-N 2.97Å; S488-G491 PolarHBondContact O-N 3.3Å |
| 489 | A | 60.6 | Low | 67.6 | Low | 36 Ų | 36 | 38.5 Ų | 38.5 | 30% | 0.298 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -6.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | M449 L486 G487 G491 Q498 | M449-A489 HydrophobicContact CE-CB 4.17Å; M449-A489 HydrophobicContact CG-CB 3.95Å; M449-A489 HydrophobicContact SD-CB 3.44Å; M449-A489 WeakPolarHBondContact SD-CB 3.48Å; L486-A489 WeakPolarHBondContact O-CB 3.35Å; G487-A489 PolarHBondContact O-N 3.17Å; A489-G491 VanDerWaalsContact C-N 3.33Å; A489-Q498 VanDerWaalsContact CB-NE2 3.33Å |
| 490 | G | 55 | Low | 66.3 | Low | 22 Ų | 22 | 42.2 Ų | 42.2 | 23% | 0.227 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -9.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115 | S488 Q498 | S488-G490 PolarHBondContact O-N 2.97Å; G490-Q498 VanDerWaalsContact N-CD 3.29Å |
| 491 | G | 61.4 | Low | 64.9 | Low | 43 Ų | 43 | 49.9 Ų | 49.9 | 44% | 0.443 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | -155.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S488 A489 D493 N537 | S488-G491 PolarHBondContact O-N 3.3Å; A489-G491 VanDerWaalsContact C-N 3.33Å; G491-D493 VanDerWaalsContact C-N 3.3Å; G491-N537 VanDerWaalsContact C-ND2 3.34Å; G491-N537 PolarHBondContact O-ND2 3.43Å; G491-N537 VanDerWaalsContact O-ND2 3.11Å |
| 492 | D | 54.5 | Low | 64.1 | Low | 95 Ų | 95 | 51.1 Ų | 51.1 | 51% | 0.508 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 0.4 | -172.5 | -52.6 | -7.8 | 0 | 0 | 0 | 113 | Y494 N537 Y581 | D492-Y494 PolarHBondContact O-N 3.3Å; D492-N537 PolarHBondContact OD1-ND2 2.82Å; D492-N537 PolarHBondContact OD1-OD1 3Å; D492-N537 VanDerWaalsContact OD1-OD1 3.07Å; D492-Y581 WeakPolarHBondContact OD2-CE2 3.36Å |
| 493 | D | 58.8 | Low | 63.9 | Low | 23 Ų | 23 | 52.9 Ų | 52.9 | 12% | 0.123 | 32% | 0.317 | C | S | . | . | trans | -79.7 | 112.9 | -174.5 | -166.8 | -26.9 | 0 | 0 | 0 | 110.1 | G491 G495 L496 H600 | G491-D493 VanDerWaalsContact C-N 3.3Å; D493-G495 PolarHBondContact O-N 3.04Å; D493-G495 VanDerWaalsContact O-N 3.15Å; D493-G495 PolarHBondContact OD1-N 2.86Å; D493-L496 HydrophobicContact CB-CB 4.18Å; D493-L496 HydrophobicContact CB-CD1 4.05Å; D493-L496 HydrophobicContact CB-CG 4.43Å; D493-L496 PolarHBondContact O-N 2.68Å; D493-H600 IonicContact OD1-CD2 2.93Å; D493-H600 IonicContact OD1-CE1 3.38Å; D493-H600 IonicContact OD1-NE2 2.66Å; D493-H600 PolarHBondContact OD1-NE2 3.44Å; D493-H600 IonicContact OD2-CD2 3.35Å; D493-H600 PolarHBondContact OD2-CD2 2.94Å; D493-H600 IonicContact OD2-NE2 2.69Å; D493-H600 PolarHBondContact OD2-NE2 3.43Å | ||
| 494 | Y | 59.5 | Low | 63.7 | Low | 87 Ų | 87 | 52.7 Ų | 52.7 | 34% | 0.341 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -55.6 | -31.7 | 179.2 | -175.3 | -102.4 | 0 | 0 | 0 | 112.4 | D492 L496 R497 H605 | D492-Y494 PolarHBondContact O-N 3.3Å; Y494-L496 VanDerWaalsContact C-N 3.33Å; Y494-L496 PolarHBondContact O-N 3.02Å; Y494-R497 VanDerWaalsContact CE2-NH1 3.34Å; Y494-R497 PolarHBondContact OH-NH1 3.36Å; Y494-H605 AromaticContact CD2-CD2 3.68Å; Y494-H605 AromaticContact CE2-CD2 3.44Å; Y494-H605 VanDerWaalsContact CE2-CD2 3.44Å; Y494-H605 WeakPolarHBondContact CE2-CD2 3.42Å; Y494-H605 AromaticContact CE2-NE2 3.98Å |
| 495 | G | 54 | Low | 63.7 | Low | 49 Ų | 49 | 55.4 Ų | 55.4 | 51% | 0.505 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -76 | -15 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | D493 | D493-G495 PolarHBondContact O-N 3.04Å; D493-G495 VanDerWaalsContact O-N 3.15Å; D493-G495 PolarHBondContact OD1-N 2.86Å |
| 496 | L | 56.2 | Low | 64 | Low | 97 Ų | 97 | 61.7 Ų | 61.7 | 51% | 0.508 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -110.7 | 29.4 | -175.7 | -72.5 | 165.3 | 0 | 0 | 0 | 113 | D493 Y494 Q498 | D493-L496 HydrophobicContact CB-CB 4.18Å; D493-L496 HydrophobicContact CB-CD1 4.05Å; D493-L496 HydrophobicContact CB-CG 4.43Å; D493-L496 PolarHBondContact O-N 2.68Å; Y494-L496 VanDerWaalsContact C-N 3.33Å; Y494-L496 PolarHBondContact O-N 3.02Å; L496-Q498 PolarHBondContact O-N 3.07Å; L496-Q498 VanDerWaalsContact O-N 3.13Å |
| 497 | R | 58.7 | Low | 64.5 | Low | 79 Ų | 79 | 62.3 Ų | 62.3 | 30% | 0.298 | 36% | 0.359 | S | S | . | . | trans | -55.5 | 117.7 | 174.7 | -79.6 | 177 | 162.2 | 176.4 | -4.9 | 110.7 | Y494 F499 D538 D540 | Y494-R497 VanDerWaalsContact CE2-NH1 3.34Å; Y494-R497 PolarHBondContact OH-NH1 3.36Å; R497-F499 VanDerWaalsContact C-N 3.34Å; R497-D538 IonicContact CZ-OD2 3.69Å; R497-D538 IonicContact NE-OD2 3.91Å; R497-D538 PolarHBondContact NE-OD2 2.92Å; R497-D538 IonicContact NH2-OD1 3.81Å; R497-D538 IonicContact NH2-OD2 3.01Å; R497-D538 PolarHBondContact NH2-OD2 2.83Å; R497-D540 IonicContact NH2-OD2 3.28Å; R497-D540 PolarHBondContact NH2-OD2 3.26Å | ||
| 498 | Q | 57.4 | Low | 65.3 | Low | 92 Ų | 92 | 61.8 Ų | 61.8 | 43% | 0.43 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -81.1 | -16.5 | 177.7 | -63.8 | -175.1 | -22 | 0 | 0 | 113.3 | L486 G487 A489 G490 L496 | L486-Q498 PolarHBondContact O-OE1 2.82Å; L486-Q498 VanDerWaalsContact O-OE1 3.06Å; G487-Q498 VanDerWaalsContact CA-OE1 3.22Å; G487-Q498 WeakPolarHBondContact O-CB 3.47Å; G487-Q498 PolarHBondContact O-OE1 3.01Å; G487-Q498 VanDerWaalsContact O-OE1 3.08Å; A489-Q498 VanDerWaalsContact CB-NE2 3.33Å; G490-Q498 VanDerWaalsContact N-CD 3.29Å; L496-Q498 PolarHBondContact O-N 3.07Å; L496-Q498 VanDerWaalsContact O-N 3.13Å |
| 499 | F | 61.8 | Low | 66.3 | Low | 59 Ų | 59 | 65.1 Ų | 65.1 | 26% | 0.259 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -103.9 | 144.3 | 177.2 | -72 | -63 | 0 | 0 | 0 | 110.8 | G487 R497 S503 T504 | G487-F499 VanDerWaalsContact C-CE2 3.45Å; G487-F499 VanDerWaalsContact CA-CZ 3.44Å; R497-F499 VanDerWaalsContact C-N 3.34Å; F499-S503 WeakPolarHBondContact CB-OG 3.45Å; F499-T504 HydrophobicContact CB-CG2 3.81Å; F499-T504 HydrophobicContact CD2-CG2 3.71Å; F499-T504 HydrophobicContact CG-CG2 4.06Å |
| 500 | A | 58.3 | Low | 67.6 | Low | 78 Ų | 78 | 66.4 Ų | 66.4 | 65% | 0.645 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 146.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | G502 S503 | A500-G502 PolarHBondContact O-N 3.11Å; A500-S503 WeakPolarHBondContact O-CB 3.38Å; A500-S503 PolarHBondContact O-N 3.47Å; A500-S503 VanDerWaalsContact O-N 3.11Å; A500-S503 PolarHBondContact O-OG 3.17Å |
| 501 | E | 56.4 | Low | 69.1 | Low | 165 Ų | 165 | 65.4 Ų | 65.4 | 77% | 0.771 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | 131.7 | -177.9 | -147.9 | 169.9 | -167.1 | 0 | 0 | 111.9 | S503 | E501-S503 VanDerWaalsContact C-N 3.28Å; E501-S503 PolarHBondContact O-N 3.28Å |
| 502 | G | 65.4 | Low | 70.5 | Confident | 28 Ų | 28 | 64.5 Ų | 64.5 | 29% | 0.289 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76 | -4.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | A500 | A500-G502 PolarHBondContact O-N 3.11Š|
| 503 | S | 75 | Confident | 72.1 | Confident | 37 Ų | 37 | 67 Ų | 67 | 26% | 0.259 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -75.9 | -34.6 | 174.8 | 65.2 | 0 | 0 | 0 | 0 | 112.8 | F499 A500 E501 K506 L507 | F499-S503 WeakPolarHBondContact CB-OG 3.45Å; A500-S503 WeakPolarHBondContact O-CB 3.38Å; A500-S503 PolarHBondContact O-N 3.47Å; A500-S503 VanDerWaalsContact O-N 3.11Å; A500-S503 PolarHBondContact O-OG 3.17Å; E501-S503 VanDerWaalsContact C-N 3.28Å; E501-S503 PolarHBondContact O-N 3.28Å; S503-K506 PolarHBondContact O-N 3.39Å; S503-L507 WeakPolarHBondContact O-CG 3.28Å; S503-L507 PolarHBondContact O-N 3.27Å; S503-L507 VanDerWaalsContact O-N 3.14Å |
| 504 | T | 76.6 | Confident | 73.6 | Confident | 20 Ų | 20 | 66.5 Ų | 66.5 | 12% | 0.123 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60 | -44.6 | 175.1 | 47.3 | 0 | 0 | 0 | 0 | 112.1 | F499 K506 L507 A508 | F499-T504 HydrophobicContact CB-CG2 3.81Å; F499-T504 HydrophobicContact CD2-CG2 3.71Å; F499-T504 HydrophobicContact CG-CG2 4.06Å; T504-K506 PolarHBondContact O-N 3.39Å; T504-L507 PolarHBondContact O-N 3.03Å; T504-A508 WeakPolarHBondContact O-CB 3.44Å; T504-A508 PolarHBondContact O-N 3.28Å |
| 505 | E | 80.4 | Confident | 74.9 | Confident | 57 Ų | 57 | 62.3 Ų | 62.3 | 27% | 0.266 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 176.6 | -68.1 | -177.3 | -171.3 | 0 | 0 | 112.8 | A508 K509 | E505-A508 PolarHBondContact O-N 3.05Å; E505-K509 WeakPolarHBondContact O-CB 3.38Å; E505-K509 VanDerWaalsContact O-CG 3.32Å; E505-K509 WeakPolarHBondContact O-CG 3.49Å; E505-K509 PolarHBondContact O-N 3.18Å |
| 506 | K | 83.9 | Confident | 76.5 | Confident | 156 Ų | 156 | 62.4 Ų | 62.4 | 68% | 0.678 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -64.2 | -43.1 | 177.8 | -71.1 | 177.1 | -176.3 | 175.3 | 0 | 111.1 | S503 T504 K509 Q510 | S503-K506 PolarHBondContact O-N 3.39Å; T504-K506 PolarHBondContact O-N 3.39Å; K506-K509 PolarHBondContact O-N 2.92Å; K506-Q510 PolarHBondContact O-N 3.49Å; K506-Q510 VanDerWaalsContact O-N 3.09Å |
| 507 | L | 83.9 | Confident | 77.9 | Confident | 37 Ų | 37 | 60 Ų | 60 | 19% | 0.194 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 175.6 | -63.5 | -176.8 | 0 | 0 | 0 | 111 | L480 S503 T504 K509 Q510 C511 L535 | L480-L507 HydrophobicContact CD1-CD1 4.19Å; L480-L507 HydrophobicContact CD1-CD2 3.59Å; L480-L507 HydrophobicContact CD1-CG 4.31Å; S503-L507 WeakPolarHBondContact O-CG 3.28Å; S503-L507 PolarHBondContact O-N 3.27Å; S503-L507 VanDerWaalsContact O-N 3.14Å; T504-L507 PolarHBondContact O-N 3.03Å; L507-K509 PolarHBondContact O-N 2.92Å; L507-Q510 WeakPolarHBondContact O-CB 3.36Å; L507-Q510 PolarHBondContact O-N 3.33Å; L507-C511 PolarHBondContact O-N 3.48Å; L507-C511 PolarHBondContact O-SG 3.5Å; L507-L535 HydrophobicContact CB-CD1 3.93Å; L507-L535 HydrophobicContact CB-CD2 4.43Å |
| 508 | A | 85.6 | Confident | 78.9 | Confident | 2 Ų | 2 | 60.9 Ų | 60.9 | 2% | 0.017 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.6 | -42 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T504 E505 Q510 C511 R512 L532 L535 V541 | T504-A508 WeakPolarHBondContact O-CB 3.44Å; T504-A508 PolarHBondContact O-N 3.28Å; E505-A508 PolarHBondContact O-N 3.05Å; A508-Q510 VanDerWaalsContact C-N 3.29Å; A508-Q510 PolarHBondContact O-N 2.95Å; A508-C511 PolarHBondContact O-N 3.47Å; A508-R512 WeakPolarHBondContact O-CG 3.44Å; A508-R512 PolarHBondContact O-N 3.43Å; A508-L532 HydrophobicContact CB-CD2 4.25Å; A508-L535 HydrophobicContact CB-CD1 4.07Å; A508-V541 HydrophobicContact CB-CG1 3.7Å; A508-V541 HydrophobicContact CB-CG2 4.28Å |
| 509 | K | 88.6 | Confident | 80 | Confident | 105 Ų | 105 | 64.5 Ų | 64.5 | 46% | 0.457 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.7 | -40.7 | 173.1 | -77.1 | 170.1 | -179 | 163.4 | 0 | 111.7 | E505 K506 L507 R512 K513 | E505-K509 WeakPolarHBondContact O-CB 3.38Å; E505-K509 VanDerWaalsContact O-CG 3.32Å; E505-K509 WeakPolarHBondContact O-CG 3.49Å; E505-K509 PolarHBondContact O-N 3.18Å; K506-K509 PolarHBondContact O-N 2.92Å; L507-K509 PolarHBondContact O-N 2.92Å; K509-R512 VanDerWaalsContact CG-NH2 3.27Å; K509-R512 PolarHBondContact O-N 3.46Å; K509-K513 PolarHBondContact O-N 3.47Å |
| 510 | Q | 87.9 | Confident | 80.9 | Confident | 63 Ų | 63 | 62 Ų | 62 | 29% | 0.294 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.4 | -43.6 | 176.4 | -170.8 | 62.5 | 27 | 0 | 0 | 112.1 | K506 L507 A508 R512 K513 W514 | K506-Q510 PolarHBondContact O-N 3.49Å; K506-Q510 VanDerWaalsContact O-N 3.09Å; L507-Q510 WeakPolarHBondContact O-CB 3.36Å; L507-Q510 PolarHBondContact O-N 3.33Å; A508-Q510 VanDerWaalsContact C-N 3.29Å; A508-Q510 PolarHBondContact O-N 2.95Å; Q510-R512 PolarHBondContact O-N 3.33Å; Q510-K513 PolarHBondContact O-N 3.46Å; Q510-W514 HydrophobicContact CG-CD2 4.14Å; Q510-W514 HydrophobicContact CG-CE3 4.01Å; Q510-W514 HydrophobicContact CG-CH2 3.73Å; Q510-W514 HydrophobicContact CG-CZ2 3.82Å; Q510-W514 HydrophobicContact CG-CZ3 3.84Å; Q510-W514 VanDerWaalsContact NE2-CZ2 3.29Å; Q510-W514 PolarHBondContact O-N 3.27Å; Q510-W514 VanDerWaalsContact O-N 3.1Å |
| 511 | C | 88 | Confident | 81.8 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.007 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.1 | -43 | 175.3 | -66.8 | 0 | 0 | 0 | 0 | 112.1 | L507 A508 K513 W514 L515 L532 | L507-C511 PolarHBondContact O-N 3.48Å; L507-C511 PolarHBondContact O-SG 3.5Å; A508-C511 PolarHBondContact O-N 3.47Å; C511-K513 PolarHBondContact O-N 3.22Å; C511-W514 PolarHBondContact O-N 2.92Å; C511-L515 WeakPolarHBondContact O-CB 3.37Å; C511-L515 PolarHBondContact O-N 3.11Å; C511-L532 HydrophobicContact CB-CD1 4.27Å; C511-L532 HydrophobicContact CB-CD2 3.77Å; C511-L532 HydrophobicContact CB-CG 3.7Å |
| 512 | R | 89.7 | Confident | 82.8 | Confident | 25 Ų | 25 | 55.7 Ų | 55.7 | 9% | 0.094 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.4 | -44.1 | 174.4 | -73.4 | -173.2 | -74.8 | -179.2 | -14.5 | 112.1 | A508 K509 Q510 W514 L515 C516 L532 D544 D548 A551 | A508-R512 WeakPolarHBondContact O-CG 3.44Å; A508-R512 PolarHBondContact O-N 3.43Å; K509-R512 VanDerWaalsContact CG-NH2 3.27Å; K509-R512 PolarHBondContact O-N 3.46Å; Q510-R512 PolarHBondContact O-N 3.33Å; R512-W514 VanDerWaalsContact C-N 3.31Å; R512-W514 PolarHBondContact O-N 3.16Å; R512-L515 WeakPolarHBondContact O-CB 3.28Å; R512-L515 PolarHBondContact O-N 3.01Å; R512-C516 PolarHBondContact O-N 2.77Å; R512-C516 PolarHBondContact O-SG 2.85Å; R512-C516 VanDerWaalsContact O-SG 3.38Å; R512-L532 HydrophobicContact CG-CD2 4.42Å; R512-D544 PolarHBondContact NH1-O 3.2Å; R512-D544 IonicContact NH2-OD2 2.71Å; R512-D544 PolarHBondContact NH2-OD2 2.94Å; R512-D548 IonicContact NH1-OD2 3.34Å; R512-A551 HydrophobicContact CB-CB 4.44Å; R512-A551 HydrophobicContact CG-CB 4.09Å |
| 513 | K | 88.9 | Confident | 83.3 | Confident | 147 Ų | 147 | 59.2 Ų | 59.2 | 64% | 0.639 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -60.6 | -40.5 | 177.6 | -171.6 | 176.4 | -179.3 | 177.6 | 0 | 112.3 | K509 Q510 C511 N517 | K509-K513 PolarHBondContact O-N 3.47Å; Q510-K513 PolarHBondContact O-N 3.46Å; C511-K513 PolarHBondContact O-N 3.22Å; K513-N517 WeakPolarHBondContact O-CB 3.27Å; K513-N517 PolarHBondContact O-N 2.94Å |
| 514 | W | 88.9 | Confident | 83.6 | Confident | 12 Ų | 12 | 57.7 Ų | 57.7 | 5% | 0.045 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.9 | -36.5 | 175.6 | -70.2 | -39.3 | 0 | 0 | 0 | 113 | Y467 K476 I477 L480 Q510 C511 R512 N517 I520 A528 | Y467-W514 HydrophobicContact CE2-CH2 4.27Å; K476-W514 HydrophobicContact CD-CZ2 4.39Å; K476-W514 HydrophobicContact CG-CH2 4.33Å; K476-W514 HydrophobicContact CG-CZ2 4.43Å; I477-W514 HydrophobicContact CB-CE3 4.47Å; I477-W514 HydrophobicContact CB-CZ3 4.34Å; I477-W514 HydrophobicContact CD1-CB 4.21Å; I477-W514 HydrophobicContact CD1-CD2 3.92Å; I477-W514 HydrophobicContact CD1-CE3 4.2Å; I477-W514 HydrophobicContact CD1-CG 3.95Å; I477-W514 HydrophobicContact CG1-CD2 3.66Å; I477-W514 HydrophobicContact CG1-CE3 3.55Å; I477-W514 HydrophobicContact CG1-CG 4.24Å; I477-W514 HydrophobicContact CG1-CH2 3.95Å; I477-W514 HydrophobicContact CG1-CZ2 4.09Å; I477-W514 HydrophobicContact CG1-CZ3 3.66Å; I477-W514 HydrophobicContact CG2-CE3 4.46Å; L480-W514 HydrophobicContact CB-CZ3 4.41Å; L480-W514 HydrophobicContact CD2-CE3 4.45Å; L480-W514 HydrophobicContact CD2-CH2 4.14Å; L480-W514 HydrophobicContact CD2-CZ3 3.49Å; L480-W514 VanDerWaalsContact CD2-CZ3 3.49Å; Q510-W514 HydrophobicContact CG-CD2 4.14Å; Q510-W514 HydrophobicContact CG-CE3 4.01Å; Q510-W514 HydrophobicContact CG-CH2 3.73Å; Q510-W514 HydrophobicContact CG-CZ2 3.82Å; Q510-W514 HydrophobicContact CG-CZ3 3.84Å; Q510-W514 VanDerWaalsContact NE2-CZ2 3.29Å; Q510-W514 PolarHBondContact O-N 3.27Å; Q510-W514 VanDerWaalsContact O-N 3.1Å; C511-W514 PolarHBondContact O-N 2.92Å; R512-W514 VanDerWaalsContact C-N 3.31Å; R512-W514 PolarHBondContact O-N 3.16Å; W514-N517 PolarHBondContact O-N 3.35Å; W514-I520 HydrophobicContact CB-CD1 4Å; W514-I520 HydrophobicContact CG-CD1 4.08Å; W514-A528 HydrophobicContact CB-CB 4.28Å |
| 515 | L | 87 | Confident | 84 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 176.2 | -177 | 63.5 | 0 | 0 | 0 | 112.1 | C511 R512 N517 R525 I529 L532 A551 A554 M555 L558 | C511-L515 WeakPolarHBondContact O-CB 3.37Å; C511-L515 PolarHBondContact O-N 3.11Å; R512-L515 WeakPolarHBondContact O-CB 3.28Å; R512-L515 PolarHBondContact O-N 3.01Å; L515-N517 VanDerWaalsContact C-N 3.31Å; L515-N517 PolarHBondContact O-N 3.12Å; L515-R525 WeakPolarHBondContact O-CD 3.49Å; L515-I529 HydrophobicContact CD1-CD1 3.9Å; L515-I529 HydrophobicContact CD1-CG1 3.6Å; L515-L532 HydrophobicContact CD2-CD1 4.14Å; L515-A551 HydrophobicContact CD2-CB 4.37Å; L515-A551 WeakPolarHBondContact CD2-O 3.37Å; L515-A554 HydrophobicContact CG-CB 4.04Å; L515-M555 HydrophobicContact CD2-CB 4.25Å; L515-L558 HydrophobicContact CD1-CD1 3.43Å; L515-L558 VanDerWaalsContact CD1-CD1 3.43Å |
| 516 | C | 87.6 | Confident | 84.3 | Confident | 50 Ų | 50 | 58.1 Ų | 58.1 | 34% | 0.338 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -8.4 | -179.7 | -63.1 | 0 | 0 | 0 | 0 | 113.8 | R512 P518 | R512-C516 PolarHBondContact O-N 2.77Å; R512-C516 PolarHBondContact O-SG 2.85Å; R512-C516 VanDerWaalsContact O-SG 3.38Å; C516-P518 VanDerWaalsContact O-CD 3.23Å; C516-P518 WeakPolarHBondContact O-CD 3.3Å |
| 517 | N | 87 | Confident | 84.3 | Confident | 48 Ų | 48 | 51.1 Ų | 51.1 | 26% | 0.257 | 25% | 0.252 | S | S | . | . | trans | -81.5 | 113 | -175.9 | -173.8 | -3.4 | 0 | 0 | 0 | 111.4 | K513 W514 L515 Q519 I520 R525 | K513-N517 WeakPolarHBondContact O-CB 3.27Å; K513-N517 PolarHBondContact O-N 2.94Å; W514-N517 PolarHBondContact O-N 3.35Å; L515-N517 VanDerWaalsContact C-N 3.31Å; L515-N517 PolarHBondContact O-N 3.12Å; N517-Q519 PolarHBondContact O-N 3.29Å; N517-Q519 WeakPolarHBondContact OD1-CB 3.48Å; N517-Q519 PolarHBondContact OD1-N 3.08Å; N517-I520 HydrophobicContact CB-CD1 4.02Å; N517-I520 HydrophobicContact CB-CG1 4.17Å; N517-I520 PolarHBondContact O-N 2.72Å; N517-R525 PolarHBondContact O-NE 2.9Å; N517-R525 VanDerWaalsContact O-NE 3.08Å; N517-R525 PolarHBondContact O-NH2 2.93Å | ||
| 518 | P | 79.1 | Confident | 84.6 | Confident | 97 Ų | 97 | 49.3 Ų | 49.3 | 63% | 0.63 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -21.1 | -179.1 | 27.6 | -34.8 | 0 | 0 | 0 | 113.7 | C516 I520 R525 | C516-P518 VanDerWaalsContact O-CD 3.23Å; C516-P518 WeakPolarHBondContact O-CD 3.3Å; P518-I520 VanDerWaalsContact C-N 3.3Å; P518-I520 PolarHBondContact O-N 3.38Å; P518-R525 VanDerWaalsContact C-NH2 3.25Å; P518-R525 PolarHBondContact O-NH2 2.96Å |
| 519 | Q | 80.3 | Confident | 84.7 | Confident | 167 Ų | 167 | 49.2 Ų | 49.2 | 78% | 0.78 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -21.4 | -178.3 | -62.2 | -62.4 | -33.5 | 0 | 0 | 113.2 | N517 | N517-Q519 PolarHBondContact O-N 3.29Å; N517-Q519 WeakPolarHBondContact OD1-CB 3.48Å; N517-Q519 PolarHBondContact OD1-N 3.08Å |
| 520 | I | 80.1 | Confident | 84.6 | Confident | 8 Ų | 8 | 46 Ų | 46 | 4% | 0.041 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -82.4 | 131.9 | 179.2 | -61.9 | 179.5 | 0 | 0 | 0 | 108.4 | E473 I477 W514 N517 P518 T524 R525 | E473-I520 WeakPolarHBondContact OE2-CD1 3.32Å; E473-I520 WeakPolarHBondContact OE2-CG1 3.3Å; I477-I520 HydrophobicContact CD1-CD1 4.31Å; W514-I520 HydrophobicContact CB-CD1 4Å; W514-I520 HydrophobicContact CG-CD1 4.08Å; N517-I520 HydrophobicContact CB-CD1 4.02Å; N517-I520 HydrophobicContact CB-CG1 4.17Å; N517-I520 PolarHBondContact O-N 2.72Å; P518-I520 VanDerWaalsContact C-N 3.3Å; P518-I520 PolarHBondContact O-N 3.38Å; I520-T524 HydrophobicContact CG2-CG2 3.83Å; I520-R525 HydrophobicContact CB-CG 4.16Å; I520-R525 HydrophobicContact CG2-CG 3.82Å; I520-R525 VanDerWaalsContact O-CZ 3.24Å; I520-R525 PolarHBondContact O-NE 3.33Å; I520-R525 PolarHBondContact O-NH2 3.49Å |
| 521 | D | 78.7 | Confident | 84.5 | Confident | 71 Ų | 71 | 43 Ų | 43 | 38% | 0.38 | 21% | 0.214 | S | C | . | . | trans | -57.1 | 142.5 | 175.3 | -173.8 | -6.4 | 0 | 0 | 0 | 111.1 | K523 T524 R525 | D521-K523 PolarHBondContact O-N 3.31Å; D521-K523 VanDerWaalsContact O-N 3.12Å; D521-K523 PolarHBondContact OD1-N 2.86Å; D521-T524 PolarHBondContact O-N 3.19Å; D521-R525 PolarHBondContact O-N 3.45Å; D521-R525 VanDerWaalsContact O-N 3.09Å | ||
| 522 | S | 76.1 | Confident | 84.5 | Confident | 39 Ų | 39 | 43 Ų | 43 | 27% | 0.273 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -42.9 | -44 | 171.3 | 177.7 | 0 | 0 | 0 | 0 | 112.1 | T524 R525 K526 | S522-T524 PolarHBondContact O-N 3.47Å; S522-R525 PolarHBondContact O-N 2.82Å; S522-K526 PolarHBondContact O-N 2.9Å |
| 523 | K | 76.4 | Confident | 84.4 | Confident | 101 Ų | 101 | 42 Ų | 42 | 44% | 0.439 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.3 | -30 | 179.9 | -54.8 | -174.8 | -162.5 | -146.3 | 0 | 113.7 | E346 D521 | E346-K523 VanDerWaalsContact OE1-CD 3.29Å; E346-K523 WeakPolarHBondContact OE1-CD 3.23Å; E346-K523 WeakPolarHBondContact OE1-CE 3.48Å; E346-K523 IonicContact OE1-NZ 2.64Å; E346-K523 PolarHBondContact OE1-NZ 3.06Å; D521-K523 PolarHBondContact O-N 3.31Å; D521-K523 VanDerWaalsContact O-N 3.12Å; D521-K523 PolarHBondContact OD1-N 2.86Å |
| 524 | T | 81.4 | Confident | 84.2 | Confident | 5 Ų | 5 | 37.1 Ų | 37.1 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -91.6 | -33 | -177.8 | -51.6 | 0 | 0 | 0 | 0 | 110.8 | K474 I477 I520 D521 S522 K526 W527 | K474-T524 HydrophobicContact CB-CG2 4.44Å; K474-T524 HydrophobicContact CG-CG2 4.18Å; I477-T524 HydrophobicContact CB-CG2 4.45Å; I477-T524 HydrophobicContact CD1-CG2 3.51Å; I477-T524 HydrophobicContact CG1-CG2 4.49Å; I520-T524 HydrophobicContact CG2-CG2 3.83Å; D521-T524 PolarHBondContact O-N 3.19Å; S522-T524 PolarHBondContact O-N 3.47Å; T524-K526 VanDerWaalsContact C-N 3.27Å; T524-K526 PolarHBondContact O-N 3.37Å; T524-W527 PolarHBondContact O-N 3.35Å |
| 525 | R | 85.6 | Confident | 84 | Confident | 45 Ų | 45 | 36.8 Ų | 36.8 | 17% | 0.17 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.4 | -30.6 | 174.9 | -61.2 | -171.1 | -154.1 | 169.3 | 16.3 | 113.1 | L515 N517 P518 I520 D521 S522 W527 A528 I529 L558 | L515-R525 WeakPolarHBondContact O-CD 3.49Å; N517-R525 PolarHBondContact O-NE 2.9Å; N517-R525 VanDerWaalsContact O-NE 3.08Å; N517-R525 PolarHBondContact O-NH2 2.93Å; P518-R525 VanDerWaalsContact C-NH2 3.25Å; P518-R525 PolarHBondContact O-NH2 2.96Å; I520-R525 HydrophobicContact CB-CG 4.16Å; I520-R525 HydrophobicContact CG2-CG 3.82Å; I520-R525 VanDerWaalsContact O-CZ 3.24Å; I520-R525 PolarHBondContact O-NE 3.33Å; I520-R525 PolarHBondContact O-NH2 3.49Å; D521-R525 PolarHBondContact O-N 3.45Å; D521-R525 VanDerWaalsContact O-N 3.09Å; S522-R525 PolarHBondContact O-N 2.82Å; R525-W527 PolarHBondContact O-N 3.32Å; R525-A528 WeakPolarHBondContact O-CA 3.28Å; R525-A528 VanDerWaalsContact O-CB 3.31Å; R525-A528 WeakPolarHBondContact O-CB 3.32Å; R525-A528 PolarHBondContact O-N 2.99Å; R525-I529 PolarHBondContact O-N 3.19Å; R525-L558 HydrophobicContact CB-CD1 3.7Å; R525-L558 HydrophobicContact CB-CD2 4.49Å |
| 526 | K | 84.9 | Confident | 84 | Confident | 41 Ų | 41 | 36.8 Ų | 36.8 | 18% | 0.178 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -41 | -51.1 | 167.7 | 146 | 176.7 | 169.8 | 168 | 0 | 112.7 | S522 T524 A528 I529 E530 T565 I566 | S522-K526 PolarHBondContact O-N 2.9Å; T524-K526 VanDerWaalsContact C-N 3.27Å; T524-K526 PolarHBondContact O-N 3.37Å; K526-A528 VanDerWaalsContact C-N 3.31Å; K526-A528 PolarHBondContact O-N 3.17Å; K526-I529 WeakPolarHBondContact O-CB 3.44Å; K526-I529 PolarHBondContact O-N 3.42Å; K526-I529 VanDerWaalsContact O-N 3.16Å; K526-E530 PolarHBondContact O-N 2.74Å; K526-T565 PolarHBondContact NZ-OG1 3.15Å; K526-I566 HydrophobicContact CB-CD1 3.82Å; K526-I566 HydrophobicContact CB-CG1 3.82Å; K526-I566 HydrophobicContact CD-CG1 4.29Å; K526-I566 HydrophobicContact CG-CG1 4.11Å |
| 527 | W | 85.9 | Confident | 83.6 | Confident | 9 Ų | 9 | 35.9 Ų | 35.9 | 3% | 0.034 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -70 | -30.7 | -176.7 | -68.2 | 101.4 | 0 | 0 | 0 | 111.6 | E440 I443 I477 R478 V481 T524 R525 I529 E530 G531 | E440-W527 HydrophobicContact CG-CH2 3.87Å; E440-W527 HydrophobicContact CG-CZ2 3.78Å; E440-W527 WeakPolarHBondContact OE1-CZ2 3.34Å; I443-W527 HydrophobicContact CD1-CE3 4.37Å; I443-W527 HydrophobicContact CD1-CH2 4.4Å; I443-W527 HydrophobicContact CD1-CZ3 3.84Å; I443-W527 HydrophobicContact CG2-CZ3 4.47Å; I477-W527 HydrophobicContact CG2-CB 3.58Å; R478-W527 HydrophobicContact CG-CD2 3.76Å; R478-W527 HydrophobicContact CG-CE3 4.31Å; R478-W527 HydrophobicContact CG-CG 3.85Å; R478-W527 HydrophobicContact CG-CZ2 4.42Å; V481-W527 HydrophobicContact CB-CE3 4.38Å; V481-W527 HydrophobicContact CG1-CE3 4.24Å; V481-W527 HydrophobicContact CG2-CB 4.04Å; V481-W527 HydrophobicContact CG2-CE3 4.24Å; V481-W527 WeakPolarHBondContact CG2-O 3.3Å; T524-W527 PolarHBondContact O-N 3.35Å; R525-W527 PolarHBondContact O-N 3.32Å; W527-I529 VanDerWaalsContact C-N 3.31Å; W527-I529 PolarHBondContact O-N 3.3Å; W527-E530 VanDerWaalsContact CE3-OE2 3.27Å; W527-E530 VanDerWaalsContact CZ3-OE2 3.28Å; W527-E530 WeakPolarHBondContact CZ3-OE2 3.48Å; W527-E530 PolarHBondContact O-N 2.85Å; W527-G531 PolarHBondContact O-N 3.34Å |
| 528 | A | 88.3 | Confident | 83.3 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.2 | -38 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | I477 W514 R525 K526 G531 L532 | I477-A528 HydrophobicContact CG2-CB 4.41Å; W514-A528 HydrophobicContact CB-CB 4.28Å; R525-A528 WeakPolarHBondContact O-CA 3.28Å; R525-A528 VanDerWaalsContact O-CB 3.31Å; R525-A528 WeakPolarHBondContact O-CB 3.32Å; R525-A528 PolarHBondContact O-N 2.99Å; K526-A528 VanDerWaalsContact C-N 3.31Å; K526-A528 PolarHBondContact O-N 3.17Å; A528-G531 PolarHBondContact O-N 3.45Å; A528-L532 WeakPolarHBondContact O-CG 3.43Å; A528-L532 PolarHBondContact O-N 2.87Å |
| 529 | I | 87.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.9 | -42.1 | 174.2 | -59 | 170.9 | 0 | 0 | 0 | 110.6 | L515 R525 K526 W527 G531 L532 A533 M555 L558 I566 A569 V570 | L515-I529 HydrophobicContact CD1-CD1 3.9Å; L515-I529 HydrophobicContact CD1-CG1 3.6Å; R525-I529 PolarHBondContact O-N 3.19Å; K526-I529 WeakPolarHBondContact O-CB 3.44Å; K526-I529 PolarHBondContact O-N 3.42Å; K526-I529 VanDerWaalsContact O-N 3.16Å; W527-I529 VanDerWaalsContact C-N 3.31Å; W527-I529 PolarHBondContact O-N 3.3Å; I529-G531 VanDerWaalsContact C-N 3.3Å; I529-G531 PolarHBondContact O-N 3.07Å; I529-L532 CarbonylContact O-C 3.07Å; I529-L532 WeakPolarHBondContact O-CA 3.5Å; I529-L532 WeakPolarHBondContact O-CB 3.22Å; I529-L532 PolarHBondContact O-N 3.25Å; I529-L532 VanDerWaalsContact O-N 3.08Å; I529-A533 PolarHBondContact O-N 3.4Å; I529-M555 HydrophobicContact CD1-CG 4.06Å; I529-M555 HydrophobicContact CG1-CG 4.41Å; I529-M555 HydrophobicContact CG2-CG 4.36Å; I529-M555 HydrophobicContact CG2-SD 4.34Å; I529-L558 HydrophobicContact CD1-CB 4.08Å; I529-L558 HydrophobicContact CD1-CD1 3.71Å; I529-I566 HydrophobicContact CD1-CG2 3.78Å; I529-A569 HydrophobicContact CG2-CB 4.02Å; I529-V570 HydrophobicContact CD1-CG2 4.36Å; I529-V570 HydrophobicContact CG2-CG2 3.86Å |
| 530 | E | 86.8 | Confident | 83.5 | Confident | 36 Ų | 36 | 23.6 Ų | 23.6 | 17% | 0.168 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61 | -40.2 | 176.7 | -168.3 | 173.1 | 166.4 | 0 | 0 | 112 | V481 K526 W527 A533 Y534 A569 | V481-E530 HydrophobicContact CG1-CB 4.24Å; V481-E530 HydrophobicContact CG1-CG 3.93Å; K526-E530 PolarHBondContact O-N 2.74Å; W527-E530 VanDerWaalsContact CE3-OE2 3.27Å; W527-E530 VanDerWaalsContact CZ3-OE2 3.28Å; W527-E530 WeakPolarHBondContact CZ3-OE2 3.48Å; W527-E530 PolarHBondContact O-N 2.85Å; E530-A533 WeakPolarHBondContact O-CB 3.5Å; E530-A533 PolarHBondContact O-N 2.72Å; E530-Y534 HydrophobicContact CG-CE2 3.96Å; E530-Y534 WeakPolarHBondContact O-CD2 3.33Å; E530-A569 HydrophobicContact CB-CB 4.17Å; E530-A569 HydrophobicContact CG-CB 4.49Å |
| 531 | G | 86.2 | Confident | 83.8 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.7 | -43.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | W527 A528 I529 A533 Y534 L535 | W527-G531 PolarHBondContact O-N 3.34Å; A528-G531 PolarHBondContact O-N 3.45Å; I529-G531 VanDerWaalsContact C-N 3.3Å; I529-G531 PolarHBondContact O-N 3.07Å; G531-A533 VanDerWaalsContact C-N 3.31Å; G531-A533 PolarHBondContact O-N 3.01Å; G531-Y534 PolarHBondContact O-N 3.25Å; G531-L535 WeakPolarHBondContact O-CG 3.42Å; G531-L535 PolarHBondContact O-N 3.46Å; G531-L535 VanDerWaalsContact O-N 3.13Å |
| 532 | L | 87.3 | Confident | 84.2 | Confident | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.1 | -35 | 175.7 | -73.1 | 170.3 | 0 | 0 | 0 | 112.6 | A508 C511 R512 L515 A528 I529 Y534 L535 T536 F545 | A508-L532 HydrophobicContact CB-CD2 4.25Å; C511-L532 HydrophobicContact CB-CD1 4.27Å; C511-L532 HydrophobicContact CB-CD2 3.77Å; C511-L532 HydrophobicContact CB-CG 3.7Å; R512-L532 HydrophobicContact CG-CD2 4.42Å; L515-L532 HydrophobicContact CD2-CD1 4.14Å; A528-L532 WeakPolarHBondContact O-CG 3.43Å; A528-L532 PolarHBondContact O-N 2.87Å; I529-L532 CarbonylContact O-C 3.07Å; I529-L532 WeakPolarHBondContact O-CA 3.5Å; I529-L532 WeakPolarHBondContact O-CB 3.22Å; I529-L532 PolarHBondContact O-N 3.25Å; I529-L532 VanDerWaalsContact O-N 3.08Å; L532-Y534 PolarHBondContact O-N 3.41Å; L532-L535 PolarHBondContact O-N 3.28Å; L532-T536 VanDerWaalsContact O-CB 3.32Å; L532-T536 WeakPolarHBondContact O-CB 3.46Å; L532-T536 WeakPolarHBondContact O-CG2 3.5Å; L532-T536 PolarHBondContact O-N 3.31Å; L532-T536 PolarHBondContact O-OG1 3.22Å; L532-F545 HydrophobicContact CD1-CE2 4.25Å |
| 533 | A | 87.8 | Confident | 84.7 | Confident | 4 Ų | 4 | 19 Ų | 19 | 3% | 0.033 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58.2 | -37.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I529 E530 G531 T536 A569 C572 T573 N576 | I529-A533 PolarHBondContact O-N 3.4Å; E530-A533 WeakPolarHBondContact O-CB 3.5Å; E530-A533 PolarHBondContact O-N 2.72Å; G531-A533 VanDerWaalsContact C-N 3.31Å; G531-A533 PolarHBondContact O-N 3.01Å; A533-T536 PolarHBondContact O-OG1 3.19Å; A533-A569 HydrophobicContact CB-CB 4.4Å; A533-A569 WeakPolarHBondContact CB-O 3.26Å; A533-C572 HydrophobicContact CB-CB 4.06Å; A533-T573 VanDerWaalsContact CA-OG1 3.31Å; A533-T573 WeakPolarHBondContact CA-OG1 3.47Å; A533-T573 PolarHBondContact N-OG1 3.01Å; A533-N576 PolarHBondContact O-ND2 2.91Å |
| 534 | Y | 84.5 | Confident | 85.2 | Confident | 46 Ų | 46 | 16 Ų | 16 | 18% | 0.18 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -78.9 | -37 | 175.7 | -62.1 | -63.4 | 0 | 0 | 0 | 112.9 | V481 K485 E530 G531 L532 | V481-Y534 HydrophobicContact CG1-CE2 4.39Å; K485-Y534 HydrophobicContact CB-CD1 4.46Å; K485-Y534 HydrophobicContact CB-CD2 3.87Å; K485-Y534 HydrophobicContact CB-CE1 4.42Å; K485-Y534 HydrophobicContact CB-CE2 3.8Å; K485-Y534 HydrophobicContact CB-CG 4.21Å; K485-Y534 HydrophobicContact CD-CE1 4.26Å; K485-Y534 HydrophobicContact CD-CE2 3.87Å; K485-Y534 WeakPolarHBondContact CD-OH 3.25Å; K485-Y534 WeakPolarHBondContact CE-OH 3.16Å; K485-Y534 HydrophobicContact CG-CD1 4.28Å; K485-Y534 HydrophobicContact CG-CD2 4.32Å; K485-Y534 HydrophobicContact CG-CE1 3.87Å; K485-Y534 HydrophobicContact CG-CE2 3.89Å; E530-Y534 HydrophobicContact CG-CE2 3.96Å; E530-Y534 WeakPolarHBondContact O-CD2 3.33Å; G531-Y534 PolarHBondContact O-N 3.25Å; L532-Y534 PolarHBondContact O-N 3.41Å |
| 535 | L | 85.1 | Confident | 85.6 | Confident | 5 Ų | 5 | 15.8 Ų | 15.8 | 3% | 0.026 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -73.5 | -27.5 | -179.1 | -66.6 | 174.1 | 0 | 0 | 0 | 113.2 | C484 L507 A508 G531 L532 N537 D538 V541 | C484-L535 HydrophobicContact CB-CD2 4.28Å; C484-L535 HydrophobicContact CB-CG 4.26Å; L507-L535 HydrophobicContact CB-CD1 3.93Å; L507-L535 HydrophobicContact CB-CD2 4.43Å; A508-L535 HydrophobicContact CB-CD1 4.07Å; G531-L535 WeakPolarHBondContact O-CG 3.42Å; G531-L535 PolarHBondContact O-N 3.46Å; G531-L535 VanDerWaalsContact O-N 3.13Å; L532-L535 PolarHBondContact O-N 3.28Å; L535-N537 PolarHBondContact O-N 3.3Å; L535-D538 PolarHBondContact O-N 2.92Å; L535-V541 HydrophobicContact CB-CG1 4.33Å |
| 536 | T | 86.6 | Confident | 85.7 | Confident | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | 2 | -179.8 | 49.2 | 0 | 0 | 0 | 0 | 113.8 | L532 A533 V541 K542 T573 N576 | L532-T536 VanDerWaalsContact O-CB 3.32Å; L532-T536 WeakPolarHBondContact O-CB 3.46Å; L532-T536 WeakPolarHBondContact O-CG2 3.5Å; L532-T536 PolarHBondContact O-N 3.31Å; L532-T536 PolarHBondContact O-OG1 3.22Å; A533-T536 PolarHBondContact O-OG1 3.19Å; T536-V541 HydrophobicContact CG2-CG1 4.03Å; T536-K542 WeakPolarHBondContact O-CE 3.48Å; T536-K542 WeakPolarHBondContact O-CG 3.47Å; T536-T573 HydrophobicContact CG2-CG2 4.15Å; T536-N576 WeakPolarHBondContact O-CB 3.39Å; T536-N576 PolarHBondContact OG1-ND2 3.05Å |
| 537 | N | 80.4 | Confident | 85.9 | Confident | 30 Ų | 30 | 17.2 Ų | 17.2 | 16% | 0.16 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -30.7 | 165.8 | -153.9 | 27.8 | 0 | 0 | 0 | 111.7 | G491 D492 L535 K542 | G491-N537 VanDerWaalsContact C-ND2 3.34Å; G491-N537 PolarHBondContact O-ND2 3.43Å; G491-N537 VanDerWaalsContact O-ND2 3.11Å; D492-N537 PolarHBondContact OD1-ND2 2.82Å; D492-N537 PolarHBondContact OD1-OD1 3Å; D492-N537 VanDerWaalsContact OD1-OD1 3.07Å; L535-N537 PolarHBondContact O-N 3.3Å; N537-K542 VanDerWaalsContact O-CE 3.28Å; N537-K542 WeakPolarHBondContact O-CE 3.38Å |
| 538 | D | 80 | Confident | 86.2 | Confident | 22 Ų | 22 | 18.8 Ų | 18.8 | 12% | 0.118 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -74.3 | 128.8 | 176.2 | -169.6 | -67.3 | 0 | 0 | 0 | 111.2 | R497 L535 D540 V541 K542 | R497-D538 IonicContact CZ-OD2 3.69Å; R497-D538 IonicContact NE-OD2 3.91Å; R497-D538 PolarHBondContact NE-OD2 2.92Å; R497-D538 IonicContact NH2-OD1 3.81Å; R497-D538 IonicContact NH2-OD2 3.01Å; R497-D538 PolarHBondContact NH2-OD2 2.83Å; L535-D538 PolarHBondContact O-N 2.92Å; D538-D540 VanDerWaalsContact C-N 3.3Å; D538-D540 PolarHBondContact O-N 3.26Å; D538-D540 WeakPolarHBondContact OD1-CB 3.02Å; D538-D540 PolarHBondContact OD1-N 3.09Å; D538-V541 HydrophobicContact CB-CB 4.36Å; D538-V541 HydrophobicContact CB-CG2 4.03Å; D538-V541 PolarHBondContact O-N 3.45Å; D538-K542 WeakPolarHBondContact O-CG 3.38Å; D538-K542 PolarHBondContact O-N 3.05Å; D538-K542 VanDerWaalsContact O-N 3.14Å |
| 539 | A | 80.6 | Confident | 86.2 | Confident | 5 Ų | 5 | 24.1 Ų | 24.1 | 4% | 0.041 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.6 | -28.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | K542 H605 K607 | A539-K542 PolarHBondContact O-N 3.05Å; A539-H605 HydrophobicContact CB-CB 3.73Å; A539-H605 VanDerWaalsContact CB-ND1 3.28Å; A539-H605 WeakPolarHBondContact CB-ND1 3.38Å; A539-K607 HydrophobicContact CB-CB 4.23Å |
| 540 | D | 82.9 | Confident | 86.3 | Confident | 28 Ų | 28 | 30.1 Ų | 30.1 | 15% | 0.15 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -69.7 | -40.7 | 175.9 | -64.7 | -49.8 | 0 | 0 | 0 | 110.6 | R497 D538 K542 D543 D544 H605 K607 | R497-D540 IonicContact NH2-OD2 3.28Å; R497-D540 PolarHBondContact NH2-OD2 3.26Å; D538-D540 VanDerWaalsContact C-N 3.3Å; D538-D540 PolarHBondContact O-N 3.26Å; D538-D540 WeakPolarHBondContact OD1-CB 3.02Å; D538-D540 PolarHBondContact OD1-N 3.09Å; D540-K542 VanDerWaalsContact C-N 3.32Å; D540-K542 PolarHBondContact O-N 3.39Å; D540-D543 PolarHBondContact O-N 3.02Å; D540-D544 WeakPolarHBondContact O-CB 3.5Å; D540-D544 PolarHBondContact O-N 3.22Å; D540-D544 VanDerWaalsContact O-N 3.11Å; D540-H605 IonicContact OD1-CE1 2.75Å; D540-H605 IonicContact OD2-NE2 2.73Å; D540-K607 WeakPolarHBondContact OD1-CD 3.27Å; D540-K607 WeakPolarHBondContact OD1-CE 3.49Å; D540-K607 IonicContact OD1-NZ 2.95Å; D540-K607 PolarHBondContact OD1-NZ 2.91Å |
| 541 | V | 86.1 | Confident | 86.5 | Confident | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.012 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66 | -34 | 177.2 | -179.5 | 0 | 0 | 0 | 0 | 111.7 | A508 L535 T536 D538 F545 | A508-V541 HydrophobicContact CB-CG1 3.7Å; A508-V541 HydrophobicContact CB-CG2 4.28Å; L535-V541 HydrophobicContact CB-CG1 4.33Å; T536-V541 HydrophobicContact CG2-CG1 4.03Å; D538-V541 HydrophobicContact CB-CB 4.36Å; D538-V541 HydrophobicContact CB-CG2 4.03Å; D538-V541 PolarHBondContact O-N 3.45Å; V541-F545 VanDerWaalsContact O-CB 3.29Å; V541-F545 WeakPolarHBondContact O-CB 3.36Å; V541-F545 PolarHBondContact O-N 3.27Å |
| 542 | K | 87.9 | Confident | 86.7 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.9 | -51.2 | 176.8 | -65.5 | 172.8 | -162.1 | 177.2 | 0 | 111.4 | T536 N537 D538 A539 D540 F545 V546 N576 N579 Y581 D608 R616 | T536-K542 WeakPolarHBondContact O-CE 3.48Å; T536-K542 WeakPolarHBondContact O-CG 3.47Å; N537-K542 VanDerWaalsContact O-CE 3.28Å; N537-K542 WeakPolarHBondContact O-CE 3.38Å; D538-K542 WeakPolarHBondContact O-CG 3.38Å; D538-K542 PolarHBondContact O-N 3.05Å; D538-K542 VanDerWaalsContact O-N 3.14Å; A539-K542 PolarHBondContact O-N 3.05Å; D540-K542 VanDerWaalsContact C-N 3.32Å; D540-K542 PolarHBondContact O-N 3.39Å; K542-F545 PolarHBondContact O-N 3.43Å; K542-V546 VanDerWaalsContact O-CG2 3.29Å; K542-V546 WeakPolarHBondContact O-CG2 3.43Å; K542-V546 PolarHBondContact O-N 2.65Å; K542-V546 VanDerWaalsContact O-N 3.15Å; K542-N576 WeakPolarHBondContact CD-O 3.41Å; K542-N576 WeakPolarHBondContact CE-O 3.45Å; K542-N579 PolarHBondContact NZ-OD1 2.97Å; K542-Y581 PolarHBondContact NZ-OH 3.35Å; K542-D608 IonicContact NZ-OD1 2.69Å; K542-D608 PolarHBondContact NZ-OD1 3.3Å; K542-D608 VanDerWaalsContact NZ-OD1 3.14Å; K542-D608 IonicContact NZ-OD2 3.58Å; K542-D608 PolarHBondContact NZ-OD2 3.14Å; K542-R616 VanDerWaalsContact CD-NH1 3.29Å |
| 543 | D | 85.4 | Confident | 86.8 | Confident | 19 Ų | 19 | 32.9 Ų | 32.9 | 10% | 0.102 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.3 | -44.8 | -179.9 | -81.6 | -11.4 | 0 | 0 | 0 | 111 | D540 F545 V546 E547 K607 R616 | D540-D543 PolarHBondContact O-N 3.02Å; D543-F545 VanDerWaalsContact C-N 3.27Å; D543-F545 PolarHBondContact O-N 2.89Å; D543-V546 PolarHBondContact O-N 2.91Å; D543-E547 WeakPolarHBondContact O-CG 3.47Å; D543-E547 PolarHBondContact O-N 3.01Å; D543-K607 WeakPolarHBondContact OD2-CD 3.39Å; D543-R616 VanDerWaalsContact OD1-CD 3.25Å; D543-R616 WeakPolarHBondContact OD1-CD 3.33Å; D543-R616 WeakPolarHBondContact OD1-CG 3.1Å; D543-R616 IonicContact OD1-NE 3.52Å; D543-R616 PolarHBondContact OD1-NE 3.43Å |
| 544 | D | 87.8 | Confident | 86.9 | Confident | 37 Ų | 37 | 33.2 Ų | 33.2 | 20% | 0.198 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -55.9 | -40.6 | 177.2 | -107.5 | 38.6 | 0 | 0 | 0 | 112.7 | R512 D540 | R512-D544 PolarHBondContact NH1-O 3.2Å; R512-D544 IonicContact NH2-OD2 2.71Å; R512-D544 PolarHBondContact NH2-OD2 2.94Å; D540-D544 WeakPolarHBondContact O-CB 3.5Å; D540-D544 PolarHBondContact O-N 3.22Å; D540-D544 VanDerWaalsContact O-N 3.11Å |
| 545 | F | 89.6 | Confident | 87.2 | Confident | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.009 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -71.2 | -43.4 | 179.1 | 175.4 | -106.3 | 0 | 0 | 0 | 111.8 | L532 V541 K542 D543 E547 D548 A551 M552 M555 T573 | L532-F545 HydrophobicContact CD1-CE2 4.25Å; V541-F545 VanDerWaalsContact O-CB 3.29Å; V541-F545 WeakPolarHBondContact O-CB 3.36Å; V541-F545 PolarHBondContact O-N 3.27Å; K542-F545 PolarHBondContact O-N 3.43Å; D543-F545 VanDerWaalsContact C-N 3.27Å; D543-F545 PolarHBondContact O-N 2.89Å; F545-E547 PolarHBondContact O-N 3.19Å; F545-D548 PolarHBondContact O-N 3.43Å; F545-D548 VanDerWaalsContact O-N 3.15Å; F545-A551 HydrophobicContact CD2-CB 4.43Å; F545-A551 HydrophobicContact CE2-CB 4.13Å; F545-M552 HydrophobicContact CE1-CG 4.01Å; F545-M552 HydrophobicContact CZ-CG 4.06Å; F545-M555 HydrophobicContact CE1-CE 4.01Å; F545-M555 HydrophobicContact CE1-SD 4.37Å; F545-M555 HydrophobicContact CZ-CE 3.74Å; F545-M555 HydrophobicContact CZ-SD 3.73Å; F545-T573 HydrophobicContact CD1-CG2 4.44Å; F545-T573 HydrophobicContact CE1-CG2 3.96Å; F545-T573 HydrophobicContact CZ-CG2 4.28Å |
| 546 | V | 87.8 | Confident | 87.4 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -72.9 | -17.7 | -179.3 | 179.1 | 0 | 0 | 0 | 0 | 112.2 | K542 D543 M552 C577 R616 R619 L620 | K542-V546 VanDerWaalsContact O-CG2 3.29Å; K542-V546 WeakPolarHBondContact O-CG2 3.43Å; K542-V546 PolarHBondContact O-N 2.65Å; K542-V546 VanDerWaalsContact O-N 3.15Å; D543-V546 PolarHBondContact O-N 2.91Å; V546-M552 HydrophobicContact CB-SD 4.45Å; V546-M552 HydrophobicContact CG1-SD 4.25Å; V546-M552 WeakPolarHBondContact O-CE 3.48Å; V546-C577 HydrophobicContact CG2-CB 4.32Å; V546-R616 HydrophobicContact CB-CG 4.33Å; V546-R616 HydrophobicContact CG1-CB 4.29Å; V546-R616 HydrophobicContact CG1-CG 4.27Å; V546-R616 HydrophobicContact CG2-CB 4.48Å; V546-R616 HydrophobicContact CG2-CG 4.27Å; V546-R619 HydrophobicContact CG1-CB 3.47Å; V546-R619 VanDerWaalsContact CG1-CB 3.47Å; V546-R619 HydrophobicContact CG1-CG 4.28Å; V546-L620 HydrophobicContact CG1-CG 4.47Å; V546-L620 HydrophobicContact CG2-CD2 4.4Å; V546-L620 HydrophobicContact CG2-CG 4.46Å |
| 547 | E | 89.5 | Confident | 87.5 | Confident | 114 Ų | 114 | 37.7 Ų | 37.7 | 53% | 0.533 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -75.6 | -27.2 | 169.3 | -77.5 | -175.6 | 172.7 | 0 | 0 | 113.7 | D543 F545 E549 R619 | D543-E547 WeakPolarHBondContact O-CG 3.47Å; D543-E547 PolarHBondContact O-N 3.01Å; F545-E547 PolarHBondContact O-N 3.19Å; E547-E549 PolarHBondContact O-N 3.11Å; E547-R619 IonicContact OE1-CZ 2.65Å; E547-R619 IonicContact OE1-NH1 3.8Å; E547-R619 PolarHBondContact OE1-NH1 2.62Å; E547-R619 IonicContact OE1-NH2 3.45Å |
| 548 | D | 91.4 | Very high | 87.6 | Confident | 43 Ų | 43 | 36.9 Ų | 36.9 | 23% | 0.23 | 18% | 0.183 | C | C | . | . | trans | -87.9 | 88 | -179.9 | -170.1 | -16 | 0 | 0 | 0 | 111.1 | R512 F545 L550 A551 M552 | R512-D548 IonicContact NH1-OD2 3.34Å; F545-D548 PolarHBondContact O-N 3.43Å; F545-D548 VanDerWaalsContact O-N 3.15Å; D548-L550 PolarHBondContact O-N 3.22Å; D548-L550 PolarHBondContact OD1-N 3.15Å; D548-A551 HydrophobicContact CB-CB 3.97Å; D548-A551 VanDerWaalsContact CG-CB 3.49Å; D548-A551 PolarHBondContact O-N 3.22Å; D548-A551 PolarHBondContact OD1-N 3.12Å; D548-M552 PolarHBondContact O-N 2.85Å; D548-M552 VanDerWaalsContact O-N 3.11Å | ||
| 549 | E | 89.7 | Confident | 87.8 | Confident | 111 Ų | 111 | 36.1 Ų | 36.1 | 52% | 0.519 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -58.8 | -31.1 | 178.4 | -70.7 | -166.1 | -175.5 | 0 | 0 | 113.7 | E547 M552 K553 | E547-E549 PolarHBondContact O-N 3.11Å; E549-M552 HydrophobicContact CB-CE 4.47Å; E549-M552 HydrophobicContact CG-CE 4.15Å; E549-K553 WeakPolarHBondContact O-CB 3.31Å; E549-K553 VanDerWaalsContact O-CG 3.32Å; E549-K553 WeakPolarHBondContact O-CG 3.45Å; E549-K553 PolarHBondContact O-N 3.11Å; E549-K553 IonicContact OE2-NZ 3.02Å; E549-K553 PolarHBondContact OE2-NZ 3.28Å |
| 550 | L | 89.9 | Confident | 87.9 | Confident | 127 Ų | 127 | 40.5 Ų | 40.5 | 67% | 0.665 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -70.3 | -44.4 | -179.7 | -64.5 | 176.4 | 0 | 0 | 0 | 110.4 | D548 M552 K553 A554 | D548-L550 PolarHBondContact O-N 3.22Å; D548-L550 PolarHBondContact OD1-N 3.15Å; L550-M552 PolarHBondContact O-N 2.93Å; L550-K553 PolarHBondContact O-N 3.45Å; L550-A554 WeakPolarHBondContact O-CB 3.48Å; L550-A554 PolarHBondContact O-N 3.46Å |
| 551 | A | 89.9 | Confident | 87.8 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.4 | -41.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R512 L515 F545 D548 A554 M555 | R512-A551 HydrophobicContact CB-CB 4.44Å; R512-A551 HydrophobicContact CG-CB 4.09Å; L515-A551 HydrophobicContact CD2-CB 4.37Å; L515-A551 WeakPolarHBondContact CD2-O 3.37Å; F545-A551 HydrophobicContact CD2-CB 4.43Å; F545-A551 HydrophobicContact CE2-CB 4.13Å; D548-A551 HydrophobicContact CB-CB 3.97Å; D548-A551 VanDerWaalsContact CG-CB 3.49Å; D548-A551 PolarHBondContact O-N 3.22Å; D548-A551 PolarHBondContact OD1-N 3.12Å; A551-A554 PolarHBondContact O-N 2.99Å; A551-M555 WeakPolarHBondContact O-CB 3.46Å; A551-M555 PolarHBondContact O-N 3.48Å |
| 552 | M | 90.6 | Very high | 87 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.6 | -47.3 | 176.1 | -71.7 | -169.3 | -71.8 | 0 | 0 | 112.2 | F545 V546 D548 E549 L550 A554 M555 F556 L620 A623 | F545-M552 HydrophobicContact CE1-CG 4.01Å; F545-M552 HydrophobicContact CZ-CG 4.06Å; V546-M552 HydrophobicContact CB-SD 4.45Å; V546-M552 HydrophobicContact CG1-SD 4.25Å; V546-M552 WeakPolarHBondContact O-CE 3.48Å; D548-M552 PolarHBondContact O-N 2.85Å; D548-M552 VanDerWaalsContact O-N 3.11Å; E549-M552 HydrophobicContact CB-CE 4.47Å; E549-M552 HydrophobicContact CG-CE 4.15Å; L550-M552 PolarHBondContact O-N 2.93Å; M552-A554 PolarHBondContact O-N 3.45Å; M552-M555 WeakPolarHBondContact O-CB 3.4Å; M552-M555 PolarHBondContact O-N 2.81Å; M552-F556 HydrophobicContact CB-CE2 4.26Å; M552-F556 HydrophobicContact CB-CZ 4.49Å; M552-F556 WeakPolarHBondContact O-CD2 3.14Å; M552-F556 VanDerWaalsContact O-CG 3.23Å; M552-F556 WeakPolarHBondContact O-CG 3.4Å; M552-F556 PolarHBondContact O-N 3.36Å; M552-L620 HydrophobicContact SD-CD2 3.75Å; M552-A623 HydrophobicContact CB-CB 4.37Å; M552-A623 HydrophobicContact CE-CB 4.05Å; M552-A623 HydrophobicContact SD-CB 4.26Å |
| 553 | K | 90.3 | Very high | 86.1 | Confident | 93 Ų | 93 | 52 Ų | 52 | 40% | 0.404 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.4 | -43.3 | 178.5 | -74 | 172 | -174.7 | 163.2 | 0 | 111.5 | E549 L550 M555 F556 E557 | E549-K553 WeakPolarHBondContact O-CB 3.31Å; E549-K553 VanDerWaalsContact O-CG 3.32Å; E549-K553 WeakPolarHBondContact O-CG 3.45Å; E549-K553 PolarHBondContact O-N 3.11Å; E549-K553 IonicContact OE2-NZ 3.02Å; E549-K553 PolarHBondContact OE2-NZ 3.28Å; L550-K553 PolarHBondContact O-N 3.45Å; K553-M555 VanDerWaalsContact C-N 3.33Å; K553-M555 PolarHBondContact O-N 3.33Å; K553-F556 PolarHBondContact O-N 2.92Å; K553-F556 VanDerWaalsContact O-N 3.15Å; K553-E557 WeakPolarHBondContact O-CG 3.28Å; K553-E557 PolarHBondContact O-N 2.71Å |
| 554 | A | 89.3 | Confident | 85.4 | Confident | 12 Ų | 12 | 53 Ų | 53 | 10% | 0.099 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.9 | -40.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L515 L550 A551 M552 E557 L558 | L515-A554 HydrophobicContact CG-CB 4.04Å; L550-A554 WeakPolarHBondContact O-CB 3.48Å; L550-A554 PolarHBondContact O-N 3.46Å; A551-A554 PolarHBondContact O-N 2.99Å; M552-A554 PolarHBondContact O-N 3.45Å; A554-E557 PolarHBondContact O-N 3.03Å; A554-L558 WeakPolarHBondContact O-CG 3.39Å; A554-L558 PolarHBondContact O-N 3.31Å; A554-L558 VanDerWaalsContact O-N 3.1Å |
| 555 | M | 90.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.8 | -43.1 | 173.8 | -173.7 | -179 | 68.7 | 0 | 0 | 111.7 | L515 I529 F545 A551 M552 K553 L558 A559 V570 T573 L574 | L515-M555 HydrophobicContact CD2-CB 4.25Å; I529-M555 HydrophobicContact CD1-CG 4.06Å; I529-M555 HydrophobicContact CG1-CG 4.41Å; I529-M555 HydrophobicContact CG2-CG 4.36Å; I529-M555 HydrophobicContact CG2-SD 4.34Å; F545-M555 HydrophobicContact CE1-CE 4.01Å; F545-M555 HydrophobicContact CE1-SD 4.37Å; F545-M555 HydrophobicContact CZ-CE 3.74Å; F545-M555 HydrophobicContact CZ-SD 3.73Å; A551-M555 WeakPolarHBondContact O-CB 3.46Å; A551-M555 PolarHBondContact O-N 3.48Å; M552-M555 WeakPolarHBondContact O-CB 3.4Å; M552-M555 PolarHBondContact O-N 2.81Å; K553-M555 VanDerWaalsContact C-N 3.33Å; K553-M555 PolarHBondContact O-N 3.33Å; M555-L558 PolarHBondContact O-N 2.91Å; M555-A559 PolarHBondContact O-N 3.18Å; M555-V570 HydrophobicContact CE-CG1 4.38Å; M555-V570 HydrophobicContact CG-CG1 4.4Å; M555-V570 HydrophobicContact CG-CG2 3.96Å; M555-V570 HydrophobicContact SD-CG1 4.32Å; M555-V570 HydrophobicContact SD-CG2 4.39Å; M555-T573 HydrophobicContact SD-CG2 3.98Å; M555-L574 HydrophobicContact CE-CD2 3.99Å; M555-L574 HydrophobicContact CE-CG 4.34Å |
| 556 | F | 89.9 | Confident | 84.3 | Confident | 7 Ų | 7 | 52.6 Ų | 52.6 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.7 | -33.4 | 179.3 | -63.2 | -23.9 | 0 | 0 | 0 | 113.2 | M552 K553 K560 L574 L620 A623 V625 A628 | M552-F556 HydrophobicContact CB-CE2 4.26Å; M552-F556 HydrophobicContact CB-CZ 4.49Å; M552-F556 WeakPolarHBondContact O-CD2 3.14Å; M552-F556 VanDerWaalsContact O-CG 3.23Å; M552-F556 WeakPolarHBondContact O-CG 3.4Å; M552-F556 PolarHBondContact O-N 3.36Å; K553-F556 PolarHBondContact O-N 2.92Å; K553-F556 VanDerWaalsContact O-N 3.15Å; F556-K560 WeakPolarHBondContact O-CG 3.37Å; F556-K560 PolarHBondContact O-N 3.33Å; F556-L574 HydrophobicContact CE1-CD2 4.26Å; F556-L620 HydrophobicContact CZ-CD2 4.34Å; F556-A623 WeakPolarHBondContact CD2-O 3.28Å; F556-A623 HydrophobicContact CE2-CB 3.78Å; F556-V625 HydrophobicContact CE1-CB 4.13Å; F556-V625 HydrophobicContact CE1-CG2 3.85Å; F556-V625 HydrophobicContact CE2-CB 4.12Å; F556-V625 HydrophobicContact CZ-CB 3.61Å; F556-V625 HydrophobicContact CZ-CG2 3.79Å; F556-A628 HydrophobicContact CB-CB 3.94Å; F556-A628 HydrophobicContact CD1-CB 3.85Å; F556-A628 HydrophobicContact CG-CB 4.02Å |
| 557 | E | 86.9 | Confident | 84.1 | Confident | 138 Ų | 138 | 52.9 Ų | 52.9 | 65% | 0.645 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -66 | -43 | 172.4 | -74.6 | 177.1 | 179.9 | 0 | 0 | 111.5 | K553 A554 A559 K560 S561 | K553-E557 WeakPolarHBondContact O-CG 3.28Å; K553-E557 PolarHBondContact O-N 2.71Å; A554-E557 PolarHBondContact O-N 3.03Å; E557-A559 VanDerWaalsContact C-N 3.34Å; E557-A559 PolarHBondContact O-N 2.98Å; E557-K560 WeakPolarHBondContact O-CB 3.42Å; E557-K560 PolarHBondContact O-N 3.07Å; E557-K560 VanDerWaalsContact O-N 3.09Å; E557-S561 PolarHBondContact O-N 2.71Å |
| 558 | L | 84.6 | Confident | 83.9 | Confident | 13 Ų | 13 | 52.6 Ų | 52.6 | 7% | 0.068 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.1 | -35.8 | 176.2 | -71.7 | 169.2 | 0 | 0 | 0 | 112.5 | L515 R525 I529 A554 M555 K560 S561 | L515-L558 HydrophobicContact CD1-CD1 3.43Å; L515-L558 VanDerWaalsContact CD1-CD1 3.43Å; R525-L558 HydrophobicContact CB-CD1 3.7Å; R525-L558 HydrophobicContact CB-CD2 4.49Å; I529-L558 HydrophobicContact CD1-CB 4.08Å; I529-L558 HydrophobicContact CD1-CD1 3.71Å; A554-L558 WeakPolarHBondContact O-CG 3.39Å; A554-L558 PolarHBondContact O-N 3.31Å; A554-L558 VanDerWaalsContact O-N 3.1Å; M555-L558 PolarHBondContact O-N 2.91Å; L558-K560 PolarHBondContact O-N 3.46Å; L558-S561 VanDerWaalsContact O-CB 3.22Å; L558-S561 WeakPolarHBondContact O-CB 3.43Å; L558-S561 PolarHBondContact O-N 3.38Å; L558-S561 PolarHBondContact O-OG 3.39Å |
| 559 | A | 83.4 | Confident | 83.6 | Confident | 5 Ų | 5 | 50.9 Ų | 50.9 | 4% | 0.041 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.7 | -19.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | M555 E557 V570 A628 M632 | M555-A559 PolarHBondContact O-N 3.18Å; E557-A559 VanDerWaalsContact C-N 3.34Å; E557-A559 PolarHBondContact O-N 2.98Å; A559-V570 HydrophobicContact CB-CG1 4.37Å; A559-V570 HydrophobicContact CB-CG2 4.39Å; A559-A628 HydrophobicContact CB-CB 4.45Å; A559-M632 HydrophobicContact CB-CG 4.23Å; A559-M632 HydrophobicContact CB-SD 4.24Å |
| 560 | K | 83.2 | Confident | 83.6 | Confident | 98 Ų | 98 | 45.6 Ų | 45.6 | 43% | 0.426 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -4.1 | 174.6 | -66.7 | 171.2 | -176.7 | 175.9 | 0 | 113 | F556 E557 L558 S627 V631 | F556-K560 WeakPolarHBondContact O-CG 3.37Å; F556-K560 PolarHBondContact O-N 3.33Å; E557-K560 WeakPolarHBondContact O-CB 3.42Å; E557-K560 PolarHBondContact O-N 3.07Å; E557-K560 VanDerWaalsContact O-N 3.09Å; L558-K560 PolarHBondContact O-N 3.46Å; K560-S627 PolarHBondContact NZ-OG 2.98Å; K560-V631 HydrophobicContact CB-CG1 4.46Å; K560-V631 HydrophobicContact CG-CB 4.25Å; K560-V631 HydrophobicContact CG-CG1 4.29Å; K560-V631 HydrophobicContact CG-CG2 4.2Å |
| 561 | S | 80.1 | Confident | 83.5 | Confident | 38 Ų | 38 | 39.5 Ų | 39.5 | 27% | 0.266 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -71.5 | 170.6 | 179.4 | 79 | 0 | 0 | 0 | 0 | 112.1 | E557 L558 D563 | E557-S561 PolarHBondContact O-N 2.71Å; L558-S561 VanDerWaalsContact O-CB 3.22Å; L558-S561 WeakPolarHBondContact O-CB 3.43Å; L558-S561 PolarHBondContact O-N 3.38Å; L558-S561 PolarHBondContact O-OG 3.39Å; S561-D563 VanDerWaalsContact C-N 3.26Å; S561-D563 PolarHBondContact O-N 3.22Å |
| 562 | R | 68.9 | Low | 83.5 | Confident | 221 Ų | 221 | 40.3 Ų | 40.3 | 83% | 0.834 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -70.1 | -22.7 | 179.5 | -63.9 | -175.4 | -178.3 | -175.6 | -0.8 | 113 | K564 | R562-K564 PolarHBondContact O-N 3.31Š|
| 563 | D | 69.4 | Low | 83.4 | Confident | 11 Ų | 11 | 40.3 Ų | 40.3 | 6% | 0.059 | 19% | 0.185 | C | C | . | . | trans | -78.8 | 109.4 | 178 | -177.4 | 4.3 | 0 | 0 | 0 | 109.8 | S561 T565 I566 | S561-D563 VanDerWaalsContact C-N 3.26Å; S561-D563 PolarHBondContact O-N 3.22Å; D563-T565 VanDerWaalsContact CG-OG1 3.25Å; D563-T565 VanDerWaalsContact OD1-CB 3.3Å; D563-T565 WeakPolarHBondContact OD1-CB 3.4Å; D563-T565 WeakPolarHBondContact OD1-CG2 3.17Å; D563-T565 PolarHBondContact OD1-N 3.29Å; D563-T565 PolarHBondContact OD1-OG1 2.92Å; D563-T565 PolarHBondContact OD2-OG1 3.46Å; D563-T565 VanDerWaalsContact OD2-OG1 3.11Å; D563-I566 HydrophobicContact CB-CD1 4.38Å | ||
| 564 | K | 71.7 | Confident | 83.5 | Confident | 40 Ų | 40 | 36 Ų | 36 | 17% | 0.174 | 17% | 0.166 | C | C | . | . | trans | -92.7 | -1.8 | -178.1 | -66.7 | 168.4 | -178.2 | 175.1 | 0 | 111.5 | N347 R562 I566 L567 A635 D636 I639 | N347-K564 PolarHBondContact OD1-N 3.32Å; R562-K564 PolarHBondContact O-N 3.31Å; K564-I566 PolarHBondContact O-N 3.4Å; K564-L567 HydrophobicContact CB-CD1 3.85Å; K564-L567 HydrophobicContact CB-CG 4.34Å; K564-L567 HydrophobicContact CG-CD1 4.26Å; K564-L567 WeakPolarHBondContact O-CB 3.35Å; K564-L567 WeakPolarHBondContact O-CD1 3.24Å; K564-L567 WeakPolarHBondContact O-CG 3.48Å; K564-L567 PolarHBondContact O-N 3.21Å; K564-A635 HydrophobicContact CD-CB 3.83Å; K564-A635 HydrophobicContact CG-CB 4.2Å; K564-D636 IonicContact NZ-OD2 3.68Å; K564-D636 PolarHBondContact NZ-OD2 2.89Å; K564-I639 HydrophobicContact CB-CB 4.28Å; K564-I639 HydrophobicContact CB-CD1 3.87Å; K564-I639 HydrophobicContact CB-CG2 3.54Å; K564-I639 HydrophobicContact CD-CD1 3.61Å; K564-I639 HydrophobicContact CG-CD1 4.35Å; K564-I639 WeakPolarHBondContact O-CG2 3.26Å | ||
| 565 | T | 72.7 | Confident | 83.5 | Confident | 29 Ų | 29 | 35.6 Ų | 35.6 | 18% | 0.178 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -21.9 | 175.3 | 66 | 0 | 0 | 0 | 0 | 112.9 | N347 L350 K526 D563 L567 | N347-T565 WeakPolarHBondContact OD1-CG2 3.35Å; L350-T565 HydrophobicContact CB-CG2 4.48Å; L350-T565 HydrophobicContact CD2-CG2 4Å; K526-T565 PolarHBondContact NZ-OG1 3.15Å; D563-T565 VanDerWaalsContact CG-OG1 3.25Å; D563-T565 VanDerWaalsContact OD1-CB 3.3Å; D563-T565 WeakPolarHBondContact OD1-CB 3.4Å; D563-T565 WeakPolarHBondContact OD1-CG2 3.17Å; D563-T565 PolarHBondContact OD1-N 3.29Å; D563-T565 PolarHBondContact OD1-OG1 2.92Å; D563-T565 PolarHBondContact OD2-OG1 3.46Å; D563-T565 VanDerWaalsContact OD2-OG1 3.11Å; T565-L567 VanDerWaalsContact C-N 3.29Å; T565-L567 PolarHBondContact O-N 2.78Å |
| 566 | I | 80.9 | Confident | 83.4 | Confident | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.015 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -18.4 | -177.6 | -49.5 | 177.8 | 0 | 0 | 0 | 112.2 | K526 I529 D563 K564 Y568 A569 V570 | K526-I566 HydrophobicContact CB-CD1 3.82Å; K526-I566 HydrophobicContact CB-CG1 3.82Å; K526-I566 HydrophobicContact CD-CG1 4.29Å; K526-I566 HydrophobicContact CG-CG1 4.11Å; I529-I566 HydrophobicContact CD1-CG2 3.78Å; D563-I566 HydrophobicContact CB-CD1 4.38Å; K564-I566 PolarHBondContact O-N 3.4Å; I566-Y568 VanDerWaalsContact C-N 3.31Å; I566-Y568 PolarHBondContact O-N 3.17Å; I566-A569 PolarHBondContact O-N 3.46Å; I566-A569 VanDerWaalsContact O-N 3.08Å; I566-V570 HydrophobicContact CG2-CG2 3.82Å; I566-V570 PolarHBondContact O-N 3.41Å; I566-V570 VanDerWaalsContact O-N 3.09Å |
| 567 | L | 83.4 | Confident | 83.3 | Confident | 7 Ų | 7 | 36.1 Ų | 36.1 | 4% | 0.037 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.7 | -39.6 | -168.2 | -64.4 | 177.8 | 0 | 0 | 0 | 113.4 | K564 T565 A571 M632 A635 L640 | K564-L567 HydrophobicContact CB-CD1 3.85Å; K564-L567 HydrophobicContact CB-CG 4.34Å; K564-L567 HydrophobicContact CG-CD1 4.26Å; K564-L567 WeakPolarHBondContact O-CB 3.35Å; K564-L567 WeakPolarHBondContact O-CD1 3.24Å; K564-L567 WeakPolarHBondContact O-CG 3.48Å; K564-L567 PolarHBondContact O-N 3.21Å; T565-L567 VanDerWaalsContact C-N 3.29Å; T565-L567 PolarHBondContact O-N 2.78Å; L567-A571 VanDerWaalsContact O-CB 3.28Å; L567-A571 WeakPolarHBondContact O-CB 3.12Å; L567-A571 PolarHBondContact O-N 3.19Å; L567-M632 HydrophobicContact CB-CE 4.02Å; L567-M632 HydrophobicContact CD2-CB 3.75Å; L567-M632 HydrophobicContact CD2-CE 3.64Å; L567-M632 HydrophobicContact CD2-CG 3.44Å; L567-M632 VanDerWaalsContact CD2-CG 3.44Å; L567-M632 HydrophobicContact CD2-SD 4.3Å; L567-M632 HydrophobicContact CG-CE 4.45Å; L567-M632 VanDerWaalsContact O-CE 3.28Å; L567-M632 WeakPolarHBondContact O-CE 3.44Å; L567-A635 HydrophobicContact CD1-CB 3.54Å; L567-L640 HydrophobicContact CD1-CD1 4.34Å |
| 568 | Y | 84.4 | Confident | 83.4 | Confident | 107 Ų | 107 | 29.8 Ų | 29.8 | 42% | 0.42 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -63.9 | -44.8 | 177.7 | 177.8 | -97.7 | 0 | 0 | 0 | 111.9 | I566 V570 A571 C572 M647 | I566-Y568 VanDerWaalsContact C-N 3.31Å; I566-Y568 PolarHBondContact O-N 3.17Å; Y568-V570 PolarHBondContact O-N 2.95Å; Y568-A571 PolarHBondContact O-N 3.4Å; Y568-C572 VanDerWaalsContact O-CB 3.3Å; Y568-C572 WeakPolarHBondContact O-CB 3.42Å; Y568-C572 PolarHBondContact O-N 3.01Å; Y568-M647 HydrophobicContact CD2-SD 4.28Å; Y568-M647 HydrophobicContact CE2-SD 3.89Å |
| 569 | A | 85.8 | Confident | 83.5 | Confident | 7 Ų | 7 | 29.8 Ų | 29.8 | 6% | 0.058 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.6 | -41.3 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | I529 E530 A533 I566 C572 T573 | I529-A569 HydrophobicContact CG2-CB 4.02Å; E530-A569 HydrophobicContact CB-CB 4.17Å; E530-A569 HydrophobicContact CG-CB 4.49Å; A533-A569 HydrophobicContact CB-CB 4.4Å; A533-A569 WeakPolarHBondContact CB-O 3.26Å; I566-A569 PolarHBondContact O-N 3.46Å; I566-A569 VanDerWaalsContact O-N 3.08Å; A569-C572 PolarHBondContact O-N 3.36Å; A569-T573 WeakPolarHBondContact O-CB 3.5Å; A569-T573 PolarHBondContact O-N 2.96Å; A569-T573 PolarHBondContact O-OG1 3.32Å |
| 570 | V | 89.3 | Confident | 83.4 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.7 | -46 | 175.3 | 174.3 | 0 | 0 | 0 | 0 | 110.5 | I529 M555 A559 I566 Y568 C572 T573 L574 M632 | I529-V570 HydrophobicContact CD1-CG2 4.36Å; I529-V570 HydrophobicContact CG2-CG2 3.86Å; M555-V570 HydrophobicContact CE-CG1 4.38Å; M555-V570 HydrophobicContact CG-CG1 4.4Å; M555-V570 HydrophobicContact CG-CG2 3.96Å; M555-V570 HydrophobicContact SD-CG1 4.32Å; M555-V570 HydrophobicContact SD-CG2 4.39Å; A559-V570 HydrophobicContact CB-CG1 4.37Å; A559-V570 HydrophobicContact CB-CG2 4.39Å; I566-V570 HydrophobicContact CG2-CG2 3.82Å; I566-V570 PolarHBondContact O-N 3.41Å; I566-V570 VanDerWaalsContact O-N 3.09Å; Y568-V570 PolarHBondContact O-N 2.95Å; V570-C572 VanDerWaalsContact C-N 3.32Å; V570-C572 PolarHBondContact O-N 3.43Å; V570-T573 PolarHBondContact O-N 3.29Å; V570-L574 HydrophobicContact CG1-CD1 3.96Å; V570-L574 HydrophobicContact CG1-CG 4.4Å; V570-L574 WeakPolarHBondContact O-CB 3.1Å; V570-L574 VanDerWaalsContact O-CG 3.3Å; V570-L574 WeakPolarHBondContact O-CG 3.44Å; V570-L574 PolarHBondContact O-N 3.11Å; V570-M632 HydrophobicContact CB-CE 3.94Å; V570-M632 HydrophobicContact CG1-CE 3.88Å; V570-M632 HydrophobicContact CG1-SD 3.87Å |
| 571 | A | 89.2 | Confident | 83.3 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.4 | -42.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L567 Y568 L574 V575 M632 T644 M647 L648 | L567-A571 VanDerWaalsContact O-CB 3.28Å; L567-A571 WeakPolarHBondContact O-CB 3.12Å; L567-A571 PolarHBondContact O-N 3.19Å; Y568-A571 PolarHBondContact O-N 3.4Å; A571-L574 PolarHBondContact O-N 3.23Å; A571-V575 WeakPolarHBondContact O-CB 3.23Å; A571-V575 VanDerWaalsContact O-CG2 3.3Å; A571-V575 WeakPolarHBondContact O-CG2 3.33Å; A571-V575 PolarHBondContact O-N 3.44Å; A571-M632 HydrophobicContact CB-CE 4.44Å; A571-T644 HydrophobicContact CB-CG2 4.07Å; A571-M647 HydrophobicContact CB-CB 4.01Å; A571-L648 HydrophobicContact CB-CD2 3.97Å; A571-L648 HydrophobicContact CB-CG 4.46Å |
| 572 | C | 88.6 | Confident | 82.8 | Confident | 17 Ų | 17 | 30.6 Ų | 30.6 | 12% | 0.115 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.8 | -48.2 | 175.9 | -171.6 | 0 | 0 | 0 | 0 | 112.5 | A533 Y568 A569 V570 L574 V575 N576 M647 | A533-C572 HydrophobicContact CB-CB 4.06Å; Y568-C572 VanDerWaalsContact O-CB 3.3Å; Y568-C572 WeakPolarHBondContact O-CB 3.42Å; Y568-C572 PolarHBondContact O-N 3.01Å; A569-C572 PolarHBondContact O-N 3.36Å; V570-C572 VanDerWaalsContact C-N 3.32Å; V570-C572 PolarHBondContact O-N 3.43Å; C572-L574 VanDerWaalsContact C-N 3.28Å; C572-L574 PolarHBondContact O-N 3.24Å; C572-V575 PolarHBondContact O-N 3.44Å; C572-N576 WeakPolarHBondContact O-CB 3.49Å; C572-N576 PolarHBondContact O-N 3.12Å; C572-N576 PolarHBondContact O-ND2 3.28Å; C572-N576 PolarHBondContact O-OD1 3.08Å; C572-M647 VanDerWaalsContact CA-CE 3.4Å; C572-M647 HydrophobicContact CB-CE 3.76Å |
| 573 | T | 89.7 | Confident | 82.7 | Confident | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -55.5 | -44.7 | 174.5 | -59.1 | 0 | 0 | 0 | 0 | 111.4 | A533 T536 F545 M555 A569 V570 N576 C577 | A533-T573 VanDerWaalsContact CA-OG1 3.31Å; A533-T573 WeakPolarHBondContact CA-OG1 3.47Å; A533-T573 PolarHBondContact N-OG1 3.01Å; T536-T573 HydrophobicContact CG2-CG2 4.15Å; F545-T573 HydrophobicContact CD1-CG2 4.44Å; F545-T573 HydrophobicContact CE1-CG2 3.96Å; F545-T573 HydrophobicContact CZ-CG2 4.28Å; M555-T573 HydrophobicContact SD-CG2 3.98Å; A569-T573 WeakPolarHBondContact O-CB 3.5Å; A569-T573 PolarHBondContact O-N 2.96Å; A569-T573 PolarHBondContact O-OG1 3.32Å; V570-T573 PolarHBondContact O-N 3.29Å; T573-N576 PolarHBondContact O-N 3.42Å; T573-C577 WeakPolarHBondContact O-CB 3.29Å; T573-C577 PolarHBondContact O-N 3.19Å; T573-C577 PolarHBondContact O-SG 3.2Å |
| 574 | L | 91.3 | Very high | 82.3 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.8 | -44.3 | 179.5 | -70.2 | 175.9 | 0 | 0 | 0 | 112.6 | M555 F556 V570 A571 C572 N576 C577 T578 L620 V625 L629 V651 | M555-L574 HydrophobicContact CE-CD2 3.99Å; M555-L574 HydrophobicContact CE-CG 4.34Å; F556-L574 HydrophobicContact CE1-CD2 4.26Å; V570-L574 HydrophobicContact CG1-CD1 3.96Å; V570-L574 HydrophobicContact CG1-CG 4.4Å; V570-L574 WeakPolarHBondContact O-CB 3.1Å; V570-L574 VanDerWaalsContact O-CG 3.3Å; V570-L574 WeakPolarHBondContact O-CG 3.44Å; V570-L574 PolarHBondContact O-N 3.11Å; A571-L574 PolarHBondContact O-N 3.23Å; C572-L574 VanDerWaalsContact C-N 3.28Å; C572-L574 PolarHBondContact O-N 3.24Å; L574-N576 VanDerWaalsContact C-N 3.26Å; L574-N576 PolarHBondContact O-N 3.37Å; L574-C577 PolarHBondContact O-N 3.21Å; L574-C577 VanDerWaalsContact O-N 3.13Å; L574-T578 PolarHBondContact O-N 3.07Å; L574-T578 PolarHBondContact O-OG1 3.21Å; L574-L620 HydrophobicContact CD2-CD2 4.08Å; L574-V625 HydrophobicContact CD1-CG2 3.95Å; L574-V625 HydrophobicContact CD2-CG2 3.96Å; L574-L629 HydrophobicContact CD1-CD2 3.81Å; L574-V651 HydrophobicContact CB-CG1 4.26Å; L574-V651 HydrophobicContact CB-CG2 3.83Å |
| 575 | V | 90.2 | Very high | 81.7 | Confident | 5 Ų | 5 | 40.2 Ų | 40.2 | 3% | 0.03 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.2 | -41.1 | 176 | 166 | 0 | 0 | 0 | 0 | 111 | A571 C572 T578 N579 S580 Y581 M647 V651 | A571-V575 WeakPolarHBondContact O-CB 3.23Å; A571-V575 VanDerWaalsContact O-CG2 3.3Å; A571-V575 WeakPolarHBondContact O-CG2 3.33Å; A571-V575 PolarHBondContact O-N 3.44Å; C572-V575 PolarHBondContact O-N 3.44Å; V575-T578 PolarHBondContact O-N 3.39Å; V575-T578 PolarHBondContact O-OG1 2.85Å; V575-N579 WeakPolarHBondContact O-CA 3.45Å; V575-N579 PolarHBondContact O-N 2.91Å; V575-S580 PolarHBondContact O-N 3.33Å; V575-Y581 HydrophobicContact CG1-CD1 4.31Å; V575-M647 HydrophobicContact CB-CE 4.04Å; V575-M647 HydrophobicContact CG1-CE 4.35Å; V575-M647 HydrophobicContact CG2-CB 3.75Å; V575-M647 HydrophobicContact CG2-CE 3.92Å; V575-M647 HydrophobicContact CG2-CG 4.18Å; V575-M647 WeakPolarHBondContact CG2-O 3.42Å; V575-V651 HydrophobicContact CB-CG2 4.4Å; V575-V651 HydrophobicContact CG2-CG2 3.6Å |
| 576 | N | 88.4 | Confident | 81 | Confident | 17 Ų | 17 | 43 Ų | 43 | 9% | 0.091 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.6 | -43.4 | 176.3 | -65.9 | -13.2 | 0 | 0 | 0 | 110.9 | A533 T536 K542 C572 T573 L574 T578 N579 | A533-N576 PolarHBondContact O-ND2 2.91Å; T536-N576 WeakPolarHBondContact O-CB 3.39Å; T536-N576 PolarHBondContact OG1-ND2 3.05Å; K542-N576 WeakPolarHBondContact CD-O 3.41Å; K542-N576 WeakPolarHBondContact CE-O 3.45Å; C572-N576 WeakPolarHBondContact O-CB 3.49Å; C572-N576 PolarHBondContact O-N 3.12Å; C572-N576 PolarHBondContact O-ND2 3.28Å; C572-N576 PolarHBondContact O-OD1 3.08Å; T573-N576 PolarHBondContact O-N 3.42Å; L574-N576 VanDerWaalsContact C-N 3.26Å; L574-N576 PolarHBondContact O-N 3.37Å; N576-T578 VanDerWaalsContact C-N 3.31Å; N576-T578 PolarHBondContact O-N 3.47Å; N576-N579 PolarHBondContact O-N 2.99Å; N576-N579 PolarHBondContact O-OD1 2.81Å |
| 577 | C | 88.3 | Confident | 80.5 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.5 | -28.9 | 177.8 | -68.2 | 0 | 0 | 0 | 0 | 113.6 | V546 T573 L574 R616 L620 | V546-C577 HydrophobicContact CG2-CB 4.32Å; T573-C577 WeakPolarHBondContact O-CB 3.29Å; T573-C577 PolarHBondContact O-N 3.19Å; T573-C577 PolarHBondContact O-SG 3.2Å; L574-C577 PolarHBondContact O-N 3.21Å; L574-C577 VanDerWaalsContact O-N 3.13Å; C577-R616 PolarHBondContact O-NH1 3.01Å; C577-L620 HydrophobicContact CB-CD1 4.27Å |
| 578 | T | 87.2 | Confident | 79.8 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 2.1 | 177.4 | 59.7 | 0 | 0 | 0 | 0 | 113.3 | L574 V575 N576 S580 V617 L620 A654 | L574-T578 PolarHBondContact O-N 3.07Å; L574-T578 PolarHBondContact O-OG1 3.21Å; V575-T578 PolarHBondContact O-N 3.39Å; V575-T578 PolarHBondContact O-OG1 2.85Å; N576-T578 VanDerWaalsContact C-N 3.31Å; N576-T578 PolarHBondContact O-N 3.47Å; T578-S580 VanDerWaalsContact CB-OG 3.3Å; T578-S580 WeakPolarHBondContact CB-OG 3.27Å; T578-S580 PolarHBondContact O-N 3.43Å; T578-S580 PolarHBondContact O-OG 3.18Å; T578-S580 PolarHBondContact OG1-OG 2.82Å; T578-V617 HydrophobicContact CG2-CG2 4.2Å; T578-L620 HydrophobicContact CG2-CD1 3.93Å; T578-A654 HydrophobicContact CG2-CB 4.45Å |
| 579 | N | 87.4 | Confident | 79.1 | Confident | 14 Ų | 14 | 53 Ų | 53 | 8% | 0.075 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.8 | 39.3 | -175.5 | -71.5 | 1.3 | 0 | 0 | 0 | 113.9 | K542 V575 N576 Y581 D608 I613 R616 | K542-N579 PolarHBondContact NZ-OD1 2.97Å; V575-N579 WeakPolarHBondContact O-CA 3.45Å; V575-N579 PolarHBondContact O-N 2.91Å; N576-N579 PolarHBondContact O-N 2.99Å; N576-N579 PolarHBondContact O-OD1 2.81Å; N579-Y581 VanDerWaalsContact C-N 3.34Å; N579-Y581 HydrophobicContact CB-CE1 4.2Å; N579-Y581 PolarHBondContact O-N 3.08Å; N579-D608 WeakPolarHBondContact ND2-CB 3.29Å; N579-D608 PolarHBondContact ND2-OD1 3.47Å; N579-D608 PolarHBondContact OD1-OD1 3.29Å; N579-I613 HydrophobicContact CB-CD1 3.89Å; N579-I613 HydrophobicContact CB-CG1 4.3Å; N579-R616 PolarHBondContact ND2-NH2 3.44Å; N579-R616 PolarHBondContact OD1-NH1 3.37Å |
| 580 | S | 82.7 | Confident | 78.1 | Confident | 22 Ų | 22 | 57.4 Ų | 57.4 | 15% | 0.154 | 29% | 0.286 | C | S | . | . | trans | -95.1 | 19.7 | -171.8 | -45.9 | 0 | 0 | 0 | 0 | 114.2 | V575 T578 R650 A654 | V575-S580 PolarHBondContact O-N 3.33Å; T578-S580 VanDerWaalsContact CB-OG 3.3Å; T578-S580 WeakPolarHBondContact CB-OG 3.27Å; T578-S580 PolarHBondContact O-N 3.43Å; T578-S580 PolarHBondContact O-OG 3.18Å; T578-S580 PolarHBondContact OG1-OG 2.82Å; S580-R650 WeakPolarHBondContact O-CD 3.47Å; S580-R650 PolarHBondContact O-NH1 3.24Å; S580-A654 VanDerWaalsContact OG-CB 3.29Å; S580-A654 WeakPolarHBondContact OG-CB 3.41Å | ||
| 581 | Y | 80.4 | Confident | 76.9 | Confident | 44 Ų | 44 | 58.9 Ų | 58.9 | 17% | 0.173 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -82.8 | 157 | 174.6 | 45.9 | -91.1 | 0 | 0 | 0 | 111.8 | D492 K542 V575 N579 K583 | D492-Y581 WeakPolarHBondContact OD2-CE2 3.36Å; K542-Y581 PolarHBondContact NZ-OH 3.35Å; V575-Y581 HydrophobicContact CG1-CD1 4.31Å; N579-Y581 VanDerWaalsContact C-N 3.34Å; N579-Y581 HydrophobicContact CB-CE1 4.2Å; N579-Y581 PolarHBondContact O-N 3.08Å; Y581-K583 HydrophobicContact CD2-CG 4.45Å; Y581-K583 HydrophobicContact CE2-CG 4.41Å; Y581-K583 PolarHBondContact O-N 3.47Å; Y581-K583 VanDerWaalsContact O-N 3.08Å |
| 582 | D | 69.2 | Low | 75.9 | Confident | 92 Ų | 92 | 65.6 Ų | 65.6 | 49% | 0.492 | 33% | 0.326 | S | S | . | . | trans | -69.5 | 106.4 | -179.2 | -73.9 | -4.7 | 0 | 0 | 0 | 109.6 | R650 K684 | D582-R650 VanDerWaalsContact N-NH1 3.16Å; D582-R650 IonicContact OD1-CZ 2.73Å; D582-R650 IonicContact OD1-NH1 3.03Å; D582-R650 PolarHBondContact OD1-NH1 3.45Å; D582-R650 IonicContact OD1-NH2 3.64Å; D582-R650 PolarHBondContact OD1-NH2 3.06Å; D582-R650 IonicContact OD2-NH2 3.82Å; D582-R650 PolarHBondContact OD2-NH2 3.17Å; D582-K684 IonicContact OD2-NZ 2.73Å; D582-K684 PolarHBondContact OD2-NZ 2.97Å | ||
| 583 | K | 67.9 | Low | 75 | Confident | 98 Ų | 98 | 70 Ų | 70 | 43% | 0.426 | 35% | 0.348 | S | S | . | . | trans | -77.8 | 124.1 | 168.8 | -65 | -175.8 | -179.3 | -176.2 | 0 | 108 | Y581 E585 | Y581-K583 HydrophobicContact CD2-CG 4.45Å; Y581-K583 HydrophobicContact CE2-CG 4.41Å; Y581-K583 PolarHBondContact O-N 3.47Å; Y581-K583 VanDerWaalsContact O-N 3.08Å; K583-E585 PolarHBondContact O-N 3.28Å | ||
| 584 | K | 60.7 | Low | 73.8 | Confident | 191 Ų | 191 | 70.7 Ų | 70.7 | 83% | 0.83 | 35% | 0.354 | S | S | * | . | trans | -64.3 | 117.3 | 165.5 | -70.1 | -178.2 | -179.6 | 177.3 | 0 | 107.1 | I586 | K584-I586 WeakPolarHBondContact O-CG1 3.03Å; K584-I586 PolarHBondContact O-N 3.07Å | ||
| 585 | E | 57.5 | Low | 72.8 | Confident | 185 Ų | 185 | 77.5 Ų | 77.5 | 86% | 0.864 | 38% | 0.383 | S | S | * | . | trans | -59.8 | 111.7 | 173 | -71.3 | -172.2 | 160.2 | 0 | 0 | 108.3 | K583 I587 | K583-E585 PolarHBondContact O-N 3.28Å; E585-I587 PolarHBondContact O-N 3.46Å | ||
| 586 | I | 59.7 | Low | 72 | Confident | 87 Ų | 87 | 86.2 Ų | 86.2 | 45% | 0.446 | 42% | 0.422 | S | S | . | . | trans | -81.6 | 104.8 | 179.5 | -43.3 | 178.9 | 0 | 0 | 0 | 106.1 | K584 V591 | K584-I586 WeakPolarHBondContact O-CG1 3.03Å; K584-I586 PolarHBondContact O-N 3.07Å; I586-V591 HydrophobicContact CB-CG2 4.17Å; I586-V591 HydrophobicContact CG2-CG2 3.27Å | ||
| 587 | I | 70.3 | Confident | 71.2 | Confident | 90 Ų | 90 | 88.6 Ų | 88.6 | 46% | 0.462 | 44% | 0.439 | S | S | . | . | trans | -57.9 | 126.5 | 176.6 | -55.7 | 173.5 | 0 | 0 | 0 | 107.4 | E585 E589 L590 V591 | E585-I587 PolarHBondContact O-N 3.46Å; I587-E589 HydrophobicContact CG2-CB 4.17Å; I587-E589 HydrophobicContact CG2-CG 4.44Å; I587-E589 PolarHBondContact O-N 3.01Å; I587-E589 VanDerWaalsContact O-N 3.08Å; I587-L590 HydrophobicContact CB-CB 4.45Å; I587-L590 HydrophobicContact CB-CD1 4.03Å; I587-L590 HydrophobicContact CB-CG 4.18Å; I587-L590 HydrophobicContact CD1-CD1 4.01Å; I587-L590 HydrophobicContact CG1-CD1 4.24Å; I587-L590 WeakPolarHBondContact O-CB 3.43Å; I587-L590 PolarHBondContact O-N 3.08Å; I587-V591 PolarHBondContact O-N 3.18Å | ||
| 588 | P | 68 | Low | 70.5 | Confident | 95 Ų | 95 | 98 Ų | 98 | 62% | 0.617 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -54.1 | -33.5 | -175.9 | -27.4 | 34 | 0 | 0 | 0 | 113.7 | V591 Q592 | P588-V591 WeakPolarHBondContact O-CB 3.45Å; P588-V591 PolarHBondContact O-N 2.9Å; P588-Q592 PolarHBondContact O-N 2.68Å; P588-Q592 VanDerWaalsContact O-N 3.15Å |
| 589 | E | 70.6 | Confident | 69.6 | Low | 141 Ų | 141 | 104.1 Ų | 104.1 | 66% | 0.659 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.7 | -40.3 | 176.9 | -60.8 | 176 | 175.8 | 0 | 0 | 112.3 | I587 V591 Q592 L593 | I587-E589 HydrophobicContact CG2-CB 4.17Å; I587-E589 HydrophobicContact CG2-CG 4.44Å; I587-E589 PolarHBondContact O-N 3.01Å; I587-E589 VanDerWaalsContact O-N 3.08Å; E589-V591 VanDerWaalsContact C-N 3.31Å; E589-V591 PolarHBondContact O-N 2.91Å; E589-Q592 PolarHBondContact O-N 3.03Å; E589-L593 WeakPolarHBondContact O-CG 3.36Å; E589-L593 PolarHBondContact O-N 2.88Å |
| 590 | L | 62.9 | Low | 68.5 | Low | 101 Ų | 101 | 108.4 Ų | 108.4 | 53% | 0.529 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.5 | -31.7 | 176 | -69.6 | 174.2 | 0 | 0 | 0 | 111.9 | I587 L593 A594 | I587-L590 HydrophobicContact CB-CB 4.45Å; I587-L590 HydrophobicContact CB-CD1 4.03Å; I587-L590 HydrophobicContact CB-CG 4.18Å; I587-L590 HydrophobicContact CD1-CD1 4.01Å; I587-L590 HydrophobicContact CG1-CD1 4.24Å; I587-L590 WeakPolarHBondContact O-CB 3.43Å; I587-L590 PolarHBondContact O-N 3.08Å; L590-L593 HydrophobicContact CD2-CD1 4.44Å; L590-A594 VanDerWaalsContact O-CB 3.29Å; L590-A594 WeakPolarHBondContact O-CB 3.4Å; L590-A594 PolarHBondContact O-N 2.73Å |
| 591 | V | 65.1 | Low | 67.6 | Low | 31 Ų | 31 | 109 Ų | 109 | 19% | 0.188 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -66.7 | -43.6 | 173.7 | -178.1 | 0 | 0 | 0 | 0 | 110.9 | I586 I587 P588 E589 L593 A594 K595 V601 | I586-V591 HydrophobicContact CB-CG2 4.17Å; I586-V591 HydrophobicContact CG2-CG2 3.27Å; I587-V591 PolarHBondContact O-N 3.18Å; P588-V591 WeakPolarHBondContact O-CB 3.45Å; P588-V591 PolarHBondContact O-N 2.9Å; E589-V591 VanDerWaalsContact C-N 3.31Å; E589-V591 PolarHBondContact O-N 2.91Å; V591-L593 VanDerWaalsContact C-N 3.33Å; V591-A594 PolarHBondContact O-N 2.94Å; V591-K595 HydrophobicContact CG1-CD 4.31Å; V591-K595 WeakPolarHBondContact O-CG 3.21Å; V591-K595 PolarHBondContact O-N 3.17Å; V591-V601 HydrophobicContact CG1-CG1 3.87Å; V591-V601 HydrophobicContact CG1-CG2 4.46Å |
| 592 | Q | 68.1 | Low | 66.8 | Low | 140 Ų | 140 | 110 Ų | 110 | 65% | 0.654 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.7 | -40.5 | 178.2 | -68.7 | -177.8 | 3.8 | 0 | 0 | 111.1 | P588 E589 K595 F596 | P588-Q592 PolarHBondContact O-N 2.68Å; P588-Q592 VanDerWaalsContact O-N 3.15Å; E589-Q592 PolarHBondContact O-N 3.03Å; Q592-K595 PolarHBondContact O-N 3.01Å; Q592-F596 WeakPolarHBondContact O-CB 3.46Å; Q592-F596 PolarHBondContact O-N 3.35Å |
| 593 | L | 69.9 | Low | 66.7 | Low | 109 Ų | 109 | 111.9 Ų | 111.9 | 57% | 0.571 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.7 | -39.5 | 173.9 | -71.7 | 166.2 | 0 | 0 | 0 | 113 | E589 L590 V591 F596 S597 | E589-L593 WeakPolarHBondContact O-CG 3.36Å; E589-L593 PolarHBondContact O-N 2.88Å; L590-L593 HydrophobicContact CD2-CD1 4.44Å; V591-L593 VanDerWaalsContact C-N 3.33Å; L593-F596 PolarHBondContact O-N 2.87Å; L593-S597 WeakPolarHBondContact O-CB 3.47Å; L593-S597 PolarHBondContact O-N 3.2Å; L593-S597 PolarHBondContact O-OG 3.11Å |
| 594 | A | 64.8 | Low | 66.7 | Low | 17 Ų | 17 | 113.8 Ų | 113.8 | 14% | 0.14 | 56% | 0.559 | C | S | . | * | H | α-helix | trans | -63.6 | -44 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L590 V591 F596 S597 K598 Q599 V601 | L590-A594 VanDerWaalsContact O-CB 3.29Å; L590-A594 WeakPolarHBondContact O-CB 3.4Å; L590-A594 PolarHBondContact O-N 2.73Å; V591-A594 PolarHBondContact O-N 2.94Å; A594-F596 VanDerWaalsContact C-N 3.32Å; A594-F596 PolarHBondContact O-N 2.59Å; A594-S597 WeakPolarHBondContact CA-OG 3.45Å; A594-S597 CarbonylContact O-C 3.46Å; A594-S597 PolarHBondContact O-N 3.18Å; A594-S597 PolarHBondContact O-OG 3.24Å; A594-K598 PolarHBondContact O-N 3.2Å; A594-K598 VanDerWaalsContact O-N 3.09Å; A594-Q599 HydrophobicContact CB-CB 4.31Å; A594-Q599 PolarHBondContact O-N 3.09Å; A594-V601 HydrophobicContact CB-CG2 4.02Å |
| 595 | K | 70.8 | Confident | 67.4 | Low | 143 Ų | 143 | 106.1 Ų | 106.1 | 62% | 0.622 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.7 | -39.8 | 173.9 | -72 | -179.1 | 179.5 | -177.6 | 0 | 111.9 | V591 Q592 K598 V601 | V591-K595 HydrophobicContact CG1-CD 4.31Å; V591-K595 WeakPolarHBondContact O-CG 3.21Å; V591-K595 PolarHBondContact O-N 3.17Å; Q592-K595 PolarHBondContact O-N 3.01Å; K595-K598 PolarHBondContact O-N 3.16Å; K595-V601 HydrophobicContact CG-CG2 3.76Å |
| 596 | F | 72.2 | Confident | 68.3 | Low | 189 Ų | 189 | 101 Ų | 101 | 83% | 0.829 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -69 | -37.4 | 177.3 | -163.8 | -92.5 | 0 | 0 | 0 | 112.3 | Q592 L593 A594 K598 | Q592-F596 WeakPolarHBondContact O-CB 3.46Å; Q592-F596 PolarHBondContact O-N 3.35Å; L593-F596 PolarHBondContact O-N 2.87Å; A594-F596 VanDerWaalsContact C-N 3.32Å; A594-F596 PolarHBondContact O-N 2.59Å; F596-K598 VanDerWaalsContact C-N 3.29Å; F596-K598 PolarHBondContact O-N 3.24Å |
| 597 | S | 71.8 | Confident | 69.2 | Low | 66 Ų | 66 | 99.7 Ų | 99.7 | 46% | 0.462 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 5.2 | 178.2 | 56.4 | 0 | 0 | 0 | 0 | 114.4 | L593 A594 Q599 | L593-S597 WeakPolarHBondContact O-CB 3.47Å; L593-S597 PolarHBondContact O-N 3.2Å; L593-S597 PolarHBondContact O-OG 3.11Å; A594-S597 WeakPolarHBondContact CA-OG 3.45Å; A594-S597 CarbonylContact O-C 3.46Å; A594-S597 PolarHBondContact O-N 3.18Å; A594-S597 PolarHBondContact O-OG 3.24Å; S597-Q599 PolarHBondContact O-N 3.31Å; S597-Q599 VanDerWaalsContact O-N 3.16Å |
| 598 | K | 73.6 | Confident | 69.8 | Low | 198 Ų | 198 | 96.3 Ų | 96.3 | 86% | 0.861 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 25.7 | -173.4 | -58.2 | -177.9 | 179.4 | 179.3 | 0 | 113.5 | A594 K595 F596 | A594-K598 PolarHBondContact O-N 3.2Å; A594-K598 VanDerWaalsContact O-N 3.09Å; K595-K598 PolarHBondContact O-N 3.16Å; F596-K598 VanDerWaalsContact C-N 3.29Å; F596-K598 PolarHBondContact O-N 3.24Å |
| 599 | Q | 68.4 | Low | 70.5 | Confident | 133 Ų | 133 | 98 Ų | 98 | 62% | 0.621 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -78.2 | 145 | 170.6 | -69.7 | -170.6 | -3.9 | 0 | 0 | 109.7 | A594 S597 V601 | A594-Q599 HydrophobicContact CB-CB 4.31Å; A594-Q599 PolarHBondContact O-N 3.09Å; S597-Q599 PolarHBondContact O-N 3.31Å; S597-Q599 VanDerWaalsContact O-N 3.16Å; Q599-V601 PolarHBondContact O-N 3.48Å |
| 600 | H | 64.8 | Low | 71 | Confident | 105 Ų | 105 | 98.6 Ų | 98.6 | 49% | 0.486 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 129.6 | -180 | -176.7 | 63.7 | 0 | 0 | 0 | 110.7 | D493 | D493-H600 IonicContact OD1-CD2 2.93Å; D493-H600 IonicContact OD1-CE1 3.38Å; D493-H600 IonicContact OD1-NE2 2.66Å; D493-H600 PolarHBondContact OD1-NE2 3.44Å; D493-H600 IonicContact OD2-CD2 3.35Å; D493-H600 PolarHBondContact OD2-CD2 2.94Å; D493-H600 IonicContact OD2-NE2 2.69Å; D493-H600 PolarHBondContact OD2-NE2 3.43Å |
| 601 | V | 63.3 | Low | 72.1 | Confident | 33 Ų | 33 | 98.9 Ų | 98.9 | 20% | 0.2 | 48% | 0.482 | C | S | . | . | P | Polyproline II helix | trans | -102.7 | 121.9 | 178.1 | 179 | 0 | 0 | 0 | 0 | 107.8 | V591 A594 K595 Q599 E603 | V591-V601 HydrophobicContact CG1-CG1 3.87Å; V591-V601 HydrophobicContact CG1-CG2 4.46Å; A594-V601 HydrophobicContact CB-CG2 4.02Å; K595-V601 HydrophobicContact CG-CG2 3.76Å; Q599-V601 PolarHBondContact O-N 3.48Å; V601-E603 PolarHBondContact O-N 2.67Å |
| 602 | P | 64.2 | Low | 73 | Confident | 66 Ų | 66 | 100.9 Ų | 100.9 | 43% | 0.429 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 121.7 | 176.8 | -23.4 | 33.4 | 0 | 0 | 0 | 111.2 | ||
| 603 | E | 66.9 | Low | 73.9 | Confident | 131 Ų | 131 | 95.5 Ų | 95.5 | 61% | 0.612 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -95.8 | 136.2 | 176.1 | -67.5 | -170.8 | 167 | 0 | 0 | 111 | V601 | V601-E603 PolarHBondContact O-N 2.67Š|
| 604 | Q | 68.3 | Low | 74.7 | Confident | 139 Ų | 139 | 94.2 Ų | 94.2 | 65% | 0.65 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -89.7 | 135.2 | 176.1 | -69.2 | -173.8 | 15.8 | 0 | 0 | 111.2 | ||
| 605 | H | 73.9 | Confident | 75.8 | Confident | 29 Ų | 29 | 99.5 Ų | 99.5 | 13% | 0.134 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 142.1 | 177.9 | -162.4 | -100.6 | 0 | 0 | 0 | 112.3 | Y494 A539 D540 K607 D608 | Y494-H605 AromaticContact CD2-CD2 3.68Å; Y494-H605 AromaticContact CE2-CD2 3.44Å; Y494-H605 VanDerWaalsContact CE2-CD2 3.44Å; Y494-H605 WeakPolarHBondContact CE2-CD2 3.42Å; Y494-H605 AromaticContact CE2-NE2 3.98Å; A539-H605 HydrophobicContact CB-CB 3.73Å; A539-H605 VanDerWaalsContact CB-ND1 3.28Å; A539-H605 WeakPolarHBondContact CB-ND1 3.38Å; D540-H605 IonicContact OD1-CE1 2.75Å; D540-H605 IonicContact OD2-NE2 2.73Å; H605-K607 VanDerWaalsContact C-N 3.26Å; H605-K607 WeakPolarHBondContact ND1-CB 3.43Å; H605-K607 PolarHBondContact ND1-N 3.4Å; H605-K607 PolarHBondContact O-N 2.82Å; H605-D608 PolarHBondContact O-N 3.04Å |
| 606 | P | 76.7 | Confident | 76.8 | Confident | 78 Ų | 78 | 92.8 Ų | 92.8 | 51% | 0.506 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -56 | -35.2 | 178 | -27.9 | 35.4 | 0 | 0 | 0 | 114.8 | D608 K609 | P606-D608 PolarHBondContact O-N 3.08Å; P606-K609 WeakPolarHBondContact O-CG 3.38Å; P606-K609 PolarHBondContact O-N 2.9Å |
| 607 | K | 79 | Confident | 77.6 | Confident | 59 Ų | 59 | 84.3 Ų | 84.3 | 26% | 0.257 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | -74.6 | -6 | 179.3 | -63.6 | 177.2 | 172.2 | 174.3 | 0 | 114.3 | A539 D540 D543 H605 F612 R616 | A539-K607 HydrophobicContact CB-CB 4.23Å; D540-K607 WeakPolarHBondContact OD1-CD 3.27Å; D540-K607 WeakPolarHBondContact OD1-CE 3.49Å; D540-K607 IonicContact OD1-NZ 2.95Å; D540-K607 PolarHBondContact OD1-NZ 2.91Å; D543-K607 WeakPolarHBondContact OD2-CD 3.39Å; H605-K607 VanDerWaalsContact C-N 3.26Å; H605-K607 WeakPolarHBondContact ND1-CB 3.43Å; H605-K607 PolarHBondContact ND1-N 3.4Å; H605-K607 PolarHBondContact O-N 2.82Å; K607-F612 WeakPolarHBondContact O-CB 3.36Å; K607-R616 PolarHBondContact O-NH2 2.85Å |
| 608 | D | 81.9 | Confident | 78.5 | Confident | 19 Ų | 19 | 84.9 Ų | 84.9 | 10% | 0.102 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -98 | 12 | 176 | -81.9 | -22.3 | 0 | 0 | 0 | 113.6 | K542 N579 H605 P606 I613 R616 | K542-D608 IonicContact NZ-OD1 2.69Å; K542-D608 PolarHBondContact NZ-OD1 3.3Å; K542-D608 VanDerWaalsContact NZ-OD1 3.14Å; K542-D608 IonicContact NZ-OD2 3.58Å; K542-D608 PolarHBondContact NZ-OD2 3.14Å; N579-D608 WeakPolarHBondContact ND2-CB 3.29Å; N579-D608 PolarHBondContact ND2-OD1 3.47Å; N579-D608 PolarHBondContact OD1-OD1 3.29Å; H605-D608 PolarHBondContact O-N 3.04Å; P606-D608 PolarHBondContact O-N 3.08Å; D608-I613 WeakPolarHBondContact O-CD1 3.49Å; D608-R616 IonicContact OD1-CZ 2.76Å; D608-R616 IonicContact OD1-NH1 2.76Å; D608-R616 IonicContact OD1-NH2 3.7Å; D608-R616 PolarHBondContact OD1-NH2 3.33Å |
| 609 | K | 83.4 | Confident | 79.3 | Confident | 131 Ų | 131 | 80.4 Ų | 80.4 | 57% | 0.57 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -73.8 | 157.1 | 169.6 | -68.8 | -179.3 | -179.5 | -177.8 | 0 | 112.2 | P606 D611 F612 I613 | P606-K609 WeakPolarHBondContact O-CG 3.38Å; P606-K609 PolarHBondContact O-N 2.9Å; K609-D611 VanDerWaalsContact C-N 3.34Å; K609-D611 PolarHBondContact O-N 3.48Å; K609-F612 HydrophobicContact CB-CD2 4.43Å; K609-F612 PolarHBondContact O-N 2.92Å; K609-F612 VanDerWaalsContact O-N 3.11Å; K609-I613 WeakPolarHBondContact O-CG1 2.89Å; K609-I613 PolarHBondContact O-N 3.34Å |
| 610 | K | 81.5 | Confident | 80.3 | Confident | 154 Ų | 154 | 74.1 Ų | 74.1 | 67% | 0.67 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -50.9 | -45.9 | -175.7 | -68.2 | -169.1 | 176.6 | -171 | 0 | 113.8 | F612 I613 E614 | K610-F612 VanDerWaalsContact C-N 3.28Å; K610-F612 PolarHBondContact O-N 3.24Å; K610-I613 WeakPolarHBondContact O-CB 3.32Å; K610-I613 PolarHBondContact O-N 3.44Å; K610-E614 PolarHBondContact O-N 2.89Å |
| 611 | D | 84.6 | Confident | 81.5 | Confident | 106 Ų | 106 | 70.5 Ų | 70.5 | 57% | 0.567 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -60 | -35.8 | -178.1 | -52.9 | -20.4 | 0 | 0 | 0 | 113.6 | K609 K615 | K609-D611 VanDerWaalsContact C-N 3.34Å; K609-D611 PolarHBondContact O-N 3.48Å; D611-K615 WeakPolarHBondContact O-CG 3.31Å; D611-K615 PolarHBondContact O-N 3.32Å |
| 612 | F | 85.9 | Confident | 82.8 | Confident | 73 Ų | 73 | 77.4 Ų | 77.4 | 32% | 0.32 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -76.4 | -36.1 | 177 | -71.6 | -89.1 | 0 | 0 | 0 | 111.2 | K607 K609 K610 K615 R616 | K607-F612 WeakPolarHBondContact O-CB 3.36Å; K609-F612 HydrophobicContact CB-CD2 4.43Å; K609-F612 PolarHBondContact O-N 2.92Å; K609-F612 VanDerWaalsContact O-N 3.11Å; K610-F612 VanDerWaalsContact C-N 3.28Å; K610-F612 PolarHBondContact O-N 3.24Å; F612-K615 PolarHBondContact O-N 3.49Å; F612-R616 WeakPolarHBondContact O-CG 3.47Å; F612-R616 PolarHBondContact O-N 3.47Å |
| 613 | I | 86.1 | Confident | 83.9 | Confident | 27 Ų | 27 | 75 Ų | 75 | 14% | 0.138 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.1 | -46.1 | 174.9 | -61.5 | 166.1 | 0 | 0 | 0 | 110.2 | N579 D608 K609 K610 K615 R616 V617 | N579-I613 HydrophobicContact CB-CD1 3.89Å; N579-I613 HydrophobicContact CB-CG1 4.3Å; D608-I613 WeakPolarHBondContact O-CD1 3.49Å; K609-I613 WeakPolarHBondContact O-CG1 2.89Å; K609-I613 PolarHBondContact O-N 3.34Å; K610-I613 WeakPolarHBondContact O-CB 3.32Å; K610-I613 PolarHBondContact O-N 3.44Å; I613-K615 VanDerWaalsContact C-N 3.32Å; I613-K615 PolarHBondContact O-N 2.92Å; I613-R616 WeakPolarHBondContact O-CB 3.42Å; I613-R616 PolarHBondContact O-N 3.01Å; I613-R616 VanDerWaalsContact O-N 3.14Å; I613-V617 HydrophobicContact CG2-CG2 4.29Å; I613-V617 WeakPolarHBondContact O-CG2 3.27Å; I613-V617 PolarHBondContact O-N 3.36Å |
| 614 | E | 86.8 | Confident | 85 | Confident | 83 Ų | 83 | 69.6 Ų | 69.6 | 39% | 0.388 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.5 | -40.8 | 177.7 | -72.9 | -178.8 | -160.9 | 0 | 0 | 112.3 | K610 V617 K618 | K610-E614 PolarHBondContact O-N 2.89Å; E614-V617 PolarHBondContact O-N 3.48Å; E614-K618 WeakPolarHBondContact O-CB 3.38Å; E614-K618 WeakPolarHBondContact O-CG 3.23Å; E614-K618 PolarHBondContact O-N 3.09Å; E614-K618 IonicContact OE2-NZ 3.76Å |
| 615 | K | 88.4 | Confident | 86.1 | Confident | 128 Ų | 128 | 63 Ų | 63 | 56% | 0.557 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -62.9 | -42.8 | 174.9 | -73.7 | 174.6 | -176 | 175.4 | 0 | 111.6 | D611 F612 I613 K618 R619 | D611-K615 WeakPolarHBondContact O-CG 3.31Å; D611-K615 PolarHBondContact O-N 3.32Å; F612-K615 PolarHBondContact O-N 3.49Å; I613-K615 VanDerWaalsContact C-N 3.32Å; I613-K615 PolarHBondContact O-N 2.92Å; K615-K618 PolarHBondContact O-N 3.34Å; K615-R619 WeakPolarHBondContact O-CG 3.5Å; K615-R619 PolarHBondContact O-N 2.75Å; K615-R619 VanDerWaalsContact O-N 3.16Å |
| 616 | R | 90.2 | Very high | 86.8 | Confident | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.008 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.8 | -48.2 | 176.5 | -77.1 | -174.6 | -87.1 | 160.8 | -20.6 | 111.6 | K542 D543 V546 C577 N579 K607 D608 F612 I613 K618 R619 L620 | K542-R616 VanDerWaalsContact CD-NH1 3.29Å; D543-R616 VanDerWaalsContact OD1-CD 3.25Å; D543-R616 WeakPolarHBondContact OD1-CD 3.33Å; D543-R616 WeakPolarHBondContact OD1-CG 3.1Å; D543-R616 IonicContact OD1-NE 3.52Å; D543-R616 PolarHBondContact OD1-NE 3.43Å; V546-R616 HydrophobicContact CB-CG 4.33Å; V546-R616 HydrophobicContact CG1-CB 4.29Å; V546-R616 HydrophobicContact CG1-CG 4.27Å; V546-R616 HydrophobicContact CG2-CB 4.48Å; V546-R616 HydrophobicContact CG2-CG 4.27Å; C577-R616 PolarHBondContact O-NH1 3.01Å; N579-R616 PolarHBondContact ND2-NH2 3.44Å; N579-R616 PolarHBondContact OD1-NH1 3.37Å; K607-R616 PolarHBondContact O-NH2 2.85Å; D608-R616 IonicContact OD1-CZ 2.76Å; D608-R616 IonicContact OD1-NH1 2.76Å; D608-R616 IonicContact OD1-NH2 3.7Å; D608-R616 PolarHBondContact OD1-NH2 3.33Å; F612-R616 WeakPolarHBondContact O-CG 3.47Å; F612-R616 PolarHBondContact O-N 3.47Å; I613-R616 WeakPolarHBondContact O-CB 3.42Å; I613-R616 PolarHBondContact O-N 3.01Å; I613-R616 VanDerWaalsContact O-N 3.14Å; R616-K618 VanDerWaalsContact C-N 3.34Å; R616-K618 PolarHBondContact O-N 3.3Å; R616-R619 PolarHBondContact O-N 3.28Å; R616-R619 VanDerWaalsContact O-N 3.16Å; R616-L620 WeakPolarHBondContact O-CG 3.49Å; R616-L620 PolarHBondContact O-N 3.39Å |
| 617 | V | 90 | Very high | 87.4 | Confident | 10 Ų | 10 | 59.7 Ų | 59.7 | 6% | 0.061 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57 | -45.7 | 177.5 | 165.3 | 0 | 0 | 0 | 0 | 111.2 | T578 I613 E614 R619 L620 L621 L655 | T578-V617 HydrophobicContact CG2-CG2 4.2Å; I613-V617 HydrophobicContact CG2-CG2 4.29Å; I613-V617 WeakPolarHBondContact O-CG2 3.27Å; I613-V617 PolarHBondContact O-N 3.36Å; E614-V617 PolarHBondContact O-N 3.48Å; V617-R619 VanDerWaalsContact C-N 3.34Å; V617-R619 PolarHBondContact O-N 3.46Å; V617-L620 PolarHBondContact O-N 3.42Å; V617-L621 HydrophobicContact CG1-CD1 4.07Å; V617-L621 WeakPolarHBondContact O-CG 3.45Å; V617-L621 PolarHBondContact O-N 2.58Å; V617-L655 HydrophobicContact CG1-CD2 3.81Å; V617-L655 HydrophobicContact CG2-CD2 4.48Å |
| 618 | K | 90.2 | Very high | 87.9 | Confident | 79 Ų | 79 | 57 Ų | 57 | 34% | 0.343 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.4 | -39 | 177.5 | -77 | 167.9 | 178.4 | 143.6 | 0 | 113 | E614 K615 R616 K622 D658 | E614-K618 WeakPolarHBondContact O-CB 3.38Å; E614-K618 WeakPolarHBondContact O-CG 3.23Å; E614-K618 PolarHBondContact O-N 3.09Å; E614-K618 IonicContact OE2-NZ 3.76Å; K615-K618 PolarHBondContact O-N 3.34Å; R616-K618 VanDerWaalsContact C-N 3.34Å; R616-K618 PolarHBondContact O-N 3.3Å; K618-K622 WeakPolarHBondContact O-CG 3.42Å; K618-K622 PolarHBondContact O-N 2.89Å; K618-K622 VanDerWaalsContact O-N 3.13Å; K618-D658 WeakPolarHBondContact CE-OD2 3.4Å; K618-D658 IonicContact NZ-OD2 2.86Å; K618-D658 PolarHBondContact NZ-OD2 3.43Å |
| 619 | R | 90.5 | Very high | 88.2 | Confident | 104 Ų | 104 | 56 Ų | 56 | 39% | 0.392 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -68.1 | -43 | 175.6 | -73.7 | 177.3 | 175.2 | 174 | -5.7 | 111.7 | V546 E547 K615 R616 V617 L621 K622 A623 | V546-R619 HydrophobicContact CG1-CB 3.47Å; V546-R619 VanDerWaalsContact CG1-CB 3.47Å; V546-R619 HydrophobicContact CG1-CG 4.28Å; E547-R619 IonicContact OE1-CZ 2.65Å; E547-R619 IonicContact OE1-NH1 3.8Å; E547-R619 PolarHBondContact OE1-NH1 2.62Å; E547-R619 IonicContact OE1-NH2 3.45Å; K615-R619 WeakPolarHBondContact O-CG 3.5Å; K615-R619 PolarHBondContact O-N 2.75Å; K615-R619 VanDerWaalsContact O-N 3.16Å; R616-R619 PolarHBondContact O-N 3.28Å; R616-R619 VanDerWaalsContact O-N 3.16Å; V617-R619 VanDerWaalsContact C-N 3.34Å; V617-R619 PolarHBondContact O-N 3.46Å; R619-L621 VanDerWaalsContact C-N 3.33Å; R619-L621 PolarHBondContact O-N 3.01Å; R619-K622 PolarHBondContact O-N 3.35Å; R619-A623 WeakPolarHBondContact O-CB 3.32Å; R619-A623 PolarHBondContact O-N 3.49Å |
| 620 | L | 90.8 | Very high | 88.3 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.4 | -40.9 | 175.6 | -71.6 | 168.4 | 0 | 0 | 0 | 112.4 | V546 M552 F556 L574 C577 T578 R616 V617 A623 G624 V625 | V546-L620 HydrophobicContact CG1-CG 4.47Å; V546-L620 HydrophobicContact CG2-CD2 4.4Å; V546-L620 HydrophobicContact CG2-CG 4.46Å; M552-L620 HydrophobicContact SD-CD2 3.75Å; F556-L620 HydrophobicContact CZ-CD2 4.34Å; L574-L620 HydrophobicContact CD2-CD2 4.08Å; C577-L620 HydrophobicContact CB-CD1 4.27Å; T578-L620 HydrophobicContact CG2-CD1 3.93Å; R616-L620 WeakPolarHBondContact O-CG 3.49Å; R616-L620 PolarHBondContact O-N 3.39Å; V617-L620 PolarHBondContact O-N 3.42Å; L620-A623 PolarHBondContact O-N 3.41Å; L620-G624 PolarHBondContact O-N 3.38Å; L620-V625 HydrophobicContact CB-CB 4.41Å; L620-V625 HydrophobicContact CB-CG1 4.19Å; L620-V625 WeakPolarHBondContact O-CB 3.48Å; L620-V625 WeakPolarHBondContact O-CG1 3.26Å; L620-V625 PolarHBondContact O-N 3.01Å |
| 621 | L | 89.8 | Confident | 88.5 | Confident | 29 Ų | 29 | 45.8 Ų | 45.8 | 15% | 0.152 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.4 | -45.7 | 175.7 | -73.4 | 172 | 0 | 0 | 0 | 111.9 | V617 R619 A623 G624 V625 I626 L655 D661 I665 | V617-L621 HydrophobicContact CG1-CD1 4.07Å; V617-L621 WeakPolarHBondContact O-CG 3.45Å; V617-L621 PolarHBondContact O-N 2.58Å; R619-L621 VanDerWaalsContact C-N 3.33Å; R619-L621 PolarHBondContact O-N 3.01Å; L621-A623 VanDerWaalsContact C-N 3.27Å; L621-A623 PolarHBondContact O-N 3.37Å; L621-G624 PolarHBondContact O-N 3.04Å; L621-V625 HydrophobicContact CD2-CG1 4.27Å; L621-I626 HydrophobicContact CD2-CD1 4.13Å; L621-I626 HydrophobicContact CD2-CG1 3.91Å; L621-L655 HydrophobicContact CD2-CB 4.38Å; L621-L655 HydrophobicContact CD2-CD1 4.5Å; L621-L655 HydrophobicContact CD2-CD2 4.16Å; L621-L655 HydrophobicContact CG-CD2 4.19Å; L621-D661 HydrophobicContact CD1-CB 3.66Å; L621-I665 HydrophobicContact CD2-CD1 4.37Å; L621-I665 HydrophobicContact CD2-CG1 4.03Å |
| 622 | K | 89.3 | Confident | 88.5 | Confident | 177 Ų | 177 | 40.8 Ų | 40.8 | 77% | 0.77 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -61.1 | -34.7 | 175.2 | -73.7 | 178.8 | -179.6 | -174.4 | 0 | 112.8 | K618 R619 G624 | K618-K622 WeakPolarHBondContact O-CG 3.42Å; K618-K622 PolarHBondContact O-N 2.89Å; K618-K622 VanDerWaalsContact O-N 3.13Å; R619-K622 PolarHBondContact O-N 3.35Å; K622-G624 PolarHBondContact O-N 3.38Å |
| 623 | A | 88.7 | Confident | 88.3 | Confident | 17 Ų | 17 | 38 Ų | 38 | 14% | 0.14 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -6.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | M552 F556 R619 L620 L621 | M552-A623 HydrophobicContact CB-CB 4.37Å; M552-A623 HydrophobicContact CE-CB 4.05Å; M552-A623 HydrophobicContact SD-CB 4.26Å; F556-A623 WeakPolarHBondContact CD2-O 3.28Å; F556-A623 HydrophobicContact CE2-CB 3.78Å; R619-A623 WeakPolarHBondContact O-CB 3.32Å; R619-A623 PolarHBondContact O-N 3.49Å; L620-A623 PolarHBondContact O-N 3.41Å; L621-A623 VanDerWaalsContact C-N 3.27Å; L621-A623 PolarHBondContact O-N 3.37Å |
| 624 | G | 88.6 | Confident | 87.9 | Confident | 17 Ų | 17 | 43.6 Ų | 43.6 | 18% | 0.175 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88 | 27.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L620 L621 K622 I626 S627 | L620-G624 PolarHBondContact O-N 3.38Å; L621-G624 PolarHBondContact O-N 3.04Å; K622-G624 PolarHBondContact O-N 3.38Å; G624-I626 PolarHBondContact O-N 3.39Å; G624-I626 VanDerWaalsContact O-N 3.16Å; G624-S627 PolarHBondContact O-N 2.93Å; G624-S627 VanDerWaalsContact O-N 3.11Å; G624-S627 PolarHBondContact O-OG 3.24Å |
| 625 | V | 90.9 | Very high | 87.1 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -52.1 | -36.7 | -178.3 | 67.8 | 0 | 0 | 0 | 0 | 113.7 | F556 L574 L620 L621 S627 A628 L629 L655 | F556-V625 HydrophobicContact CE1-CB 4.13Å; F556-V625 HydrophobicContact CE1-CG2 3.85Å; F556-V625 HydrophobicContact CE2-CB 4.12Å; F556-V625 HydrophobicContact CZ-CB 3.61Å; F556-V625 HydrophobicContact CZ-CG2 3.79Å; L574-V625 HydrophobicContact CD1-CG2 3.95Å; L574-V625 HydrophobicContact CD2-CG2 3.96Å; L620-V625 HydrophobicContact CB-CB 4.41Å; L620-V625 HydrophobicContact CB-CG1 4.19Å; L620-V625 WeakPolarHBondContact O-CB 3.48Å; L620-V625 WeakPolarHBondContact O-CG1 3.26Å; L620-V625 PolarHBondContact O-N 3.01Å; L621-V625 HydrophobicContact CD2-CG1 4.27Å; V625-S627 VanDerWaalsContact C-N 3.3Å; V625-S627 PolarHBondContact O-N 3.31Å; V625-A628 WeakPolarHBondContact O-CB 3.31Å; V625-A628 PolarHBondContact O-N 3.5Å; V625-A628 VanDerWaalsContact O-N 3.11Å; V625-L629 HydrophobicContact CG2-CD1 4.08Å; V625-L629 HydrophobicContact CG2-CG 4.16Å; V625-L629 WeakPolarHBondContact O-CG 3.48Å; V625-L629 PolarHBondContact O-N 2.93Å; V625-L655 HydrophobicContact CG1-CD1 3.7Å; V625-L655 HydrophobicContact CG1-CD2 4.28Å |
| 626 | I | 89.8 | Confident | 85.7 | Confident | 5 Ų | 5 | 35.7 Ų | 35.7 | 3% | 0.026 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.5 | -38.5 | -178.4 | -57.9 | -61.3 | 0 | 0 | 0 | 111.7 | L621 G624 A628 L629 A630 F652 L655 I665 H668 | L621-I626 HydrophobicContact CD2-CD1 4.13Å; L621-I626 HydrophobicContact CD2-CG1 3.91Å; G624-I626 PolarHBondContact O-N 3.39Å; G624-I626 VanDerWaalsContact O-N 3.16Å; I626-A628 VanDerWaalsContact C-N 3.29Å; I626-A628 PolarHBondContact O-N 2.89Å; I626-L629 HydrophobicContact CD1-CD1 4.42Å; I626-L629 PolarHBondContact O-N 2.9Å; I626-A630 VanDerWaalsContact O-CB 3.31Å; I626-A630 WeakPolarHBondContact O-CB 3.26Å; I626-A630 PolarHBondContact O-N 2.78Å; I626-F652 HydrophobicContact CD1-CD1 4.27Å; I626-F652 HydrophobicContact CD1-CE1 4.04Å; I626-L655 HydrophobicContact CD1-CB 4.46Å; I626-L655 HydrophobicContact CD1-CD1 3.45Å; I626-L655 VanDerWaalsContact CD1-CD1 3.45Å; I626-I665 HydrophobicContact CD1-CB 4.46Å; I626-I665 HydrophobicContact CD1-CG1 3.99Å; I626-I665 HydrophobicContact CD1-CG2 4.01Å; I626-I665 HydrophobicContact CG1-CB 4.5Å; I626-I665 HydrophobicContact CG1-CG1 4.09Å; I626-I665 HydrophobicContact CG1-CG2 4.43Å; I626-I665 HydrophobicContact CG2-CG2 4.46Å; I626-H668 HydrophobicContact CB-CB 3.86Å; I626-H668 HydrophobicContact CG2-CB 3.61Å |
| 627 | S | 89.5 | Confident | 84.1 | Confident | 32 Ų | 32 | 37.5 Ų | 37.5 | 22% | 0.224 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.4 | -34.9 | 178.6 | 74.8 | 0 | 0 | 0 | 0 | 112 | K560 G624 V625 V631 | K560-S627 PolarHBondContact NZ-OG 2.98Å; G624-S627 PolarHBondContact O-N 2.93Å; G624-S627 VanDerWaalsContact O-N 3.11Å; G624-S627 PolarHBondContact O-OG 3.24Å; V625-S627 VanDerWaalsContact C-N 3.3Å; V625-S627 PolarHBondContact O-N 3.31Å; S627-V631 WeakPolarHBondContact O-CG2 3.21Å; S627-V631 PolarHBondContact O-N 2.86Å |
| 628 | A | 88.2 | Confident | 82.2 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -70.2 | -51.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | F556 A559 V625 I626 A630 V631 M632 | F556-A628 HydrophobicContact CB-CB 3.94Å; F556-A628 HydrophobicContact CD1-CB 3.85Å; F556-A628 HydrophobicContact CG-CB 4.02Å; A559-A628 HydrophobicContact CB-CB 4.45Å; V625-A628 WeakPolarHBondContact O-CB 3.31Å; V625-A628 PolarHBondContact O-N 3.5Å; V625-A628 VanDerWaalsContact O-N 3.11Å; I626-A628 VanDerWaalsContact C-N 3.29Å; I626-A628 PolarHBondContact O-N 2.89Å; A628-A630 VanDerWaalsContact C-N 3.27Å; A628-A630 PolarHBondContact O-N 3.28Å; A628-V631 WeakPolarHBondContact O-CA 3.42Å; A628-V631 PolarHBondContact O-N 3.44Å; A628-M632 VanDerWaalsContact O-CG 3.28Å; A628-M632 WeakPolarHBondContact O-CG 3.25Å; A628-M632 PolarHBondContact O-N 2.94Å |
| 629 | L | 88.3 | Confident | 80.8 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55.7 | -41.1 | 178.3 | -65.8 | 174.2 | 0 | 0 | 0 | 112.3 | L574 V625 I626 V631 M632 V633 L648 V651 F652 L655 | L574-L629 HydrophobicContact CD1-CD2 3.81Å; V625-L629 HydrophobicContact CG2-CD1 4.08Å; V625-L629 HydrophobicContact CG2-CG 4.16Å; V625-L629 WeakPolarHBondContact O-CG 3.48Å; V625-L629 PolarHBondContact O-N 2.93Å; I626-L629 HydrophobicContact CD1-CD1 4.42Å; I626-L629 PolarHBondContact O-N 2.9Å; L629-V631 VanDerWaalsContact C-N 3.26Å; L629-V631 PolarHBondContact O-N 2.69Å; L629-M632 HydrophobicContact CD2-SD 4.07Å; L629-M632 WeakPolarHBondContact O-CB 3.34Å; L629-M632 PolarHBondContact O-N 2.76Å; L629-V633 WeakPolarHBondContact O-CG2 3.37Å; L629-V633 PolarHBondContact O-N 3.31Å; L629-L648 HydrophobicContact CD2-CD2 3.51Å; L629-V651 HydrophobicContact CD1-CG1 3.88Å; L629-V651 HydrophobicContact CD2-CG1 4.47Å; L629-F652 HydrophobicContact CB-CE1 4.16Å; L629-F652 HydrophobicContact CB-CE2 3.83Å; L629-F652 HydrophobicContact CB-CZ 3.44Å; L629-F652 VanDerWaalsContact CB-CZ 3.44Å; L629-F652 HydrophobicContact CD1-CD1 4.27Å; L629-F652 HydrophobicContact CD1-CD2 4.46Å; L629-F652 HydrophobicContact CD1-CE1 4Å; L629-F652 HydrophobicContact CD1-CE2 4.19Å; L629-F652 HydrophobicContact CD1-CG 4.49Å; L629-F652 HydrophobicContact CD1-CZ 3.96Å; L629-F652 HydrophobicContact CG-CZ 4.33Å; L629-L655 HydrophobicContact CD1-CD1 3.78Å |
| 630 | A | 87.1 | Confident | 79.8 | Confident | 12 Ų | 12 | 29.3 Ų | 29.3 | 10% | 0.099 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.7 | -28.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | I626 A628 K634 A673 | I626-A630 VanDerWaalsContact O-CB 3.31Å; I626-A630 WeakPolarHBondContact O-CB 3.26Å; I626-A630 PolarHBondContact O-N 2.78Å; A628-A630 VanDerWaalsContact C-N 3.27Å; A628-A630 PolarHBondContact O-N 3.28Å; A630-K634 WeakPolarHBondContact O-CG 3.41Å; A630-A673 HydrophobicContact CB-CB 4.08Å |
| 631 | V | 85.1 | Confident | 78.9 | Confident | 58 Ų | 58 | 31.5 Ų | 31.5 | 35% | 0.352 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -78.9 | -41.5 | 171.9 | 174.9 | 0 | 0 | 0 | 0 | 110.4 | K560 S627 A628 L629 V633 K634 | K560-V631 HydrophobicContact CB-CG1 4.46Å; K560-V631 HydrophobicContact CG-CB 4.25Å; K560-V631 HydrophobicContact CG-CG1 4.29Å; K560-V631 HydrophobicContact CG-CG2 4.2Å; S627-V631 WeakPolarHBondContact O-CG2 3.21Å; S627-V631 PolarHBondContact O-N 2.86Å; A628-V631 WeakPolarHBondContact O-CA 3.42Å; A628-V631 PolarHBondContact O-N 3.44Å; L629-V631 VanDerWaalsContact C-N 3.26Å; L629-V631 PolarHBondContact O-N 2.69Å; V631-V633 VanDerWaalsContact C-N 3.31Å; V631-V633 PolarHBondContact O-N 3.27Å; V631-K634 WeakPolarHBondContact O-CB 3.39Å; V631-K634 PolarHBondContact O-N 3.3Å; V631-K634 VanDerWaalsContact O-N 3.11Å |
| 632 | M | 83.6 | Confident | 78.3 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.5 | -40.9 | 177.1 | -62.5 | 178.2 | 69.4 | 0 | 0 | 112.3 | A559 L567 V570 A571 A628 L629 K634 A635 L648 | A559-M632 HydrophobicContact CB-CG 4.23Å; A559-M632 HydrophobicContact CB-SD 4.24Å; L567-M632 HydrophobicContact CB-CE 4.02Å; L567-M632 HydrophobicContact CD2-CB 3.75Å; L567-M632 HydrophobicContact CD2-CE 3.64Å; L567-M632 HydrophobicContact CD2-CG 3.44Å; L567-M632 VanDerWaalsContact CD2-CG 3.44Å; L567-M632 HydrophobicContact CD2-SD 4.3Å; L567-M632 HydrophobicContact CG-CE 4.45Å; L567-M632 VanDerWaalsContact O-CE 3.28Å; L567-M632 WeakPolarHBondContact O-CE 3.44Å; V570-M632 HydrophobicContact CB-CE 3.94Å; V570-M632 HydrophobicContact CG1-CE 3.88Å; V570-M632 HydrophobicContact CG1-SD 3.87Å; A571-M632 HydrophobicContact CB-CE 4.44Å; A628-M632 VanDerWaalsContact O-CG 3.28Å; A628-M632 WeakPolarHBondContact O-CG 3.25Å; A628-M632 PolarHBondContact O-N 2.94Å; L629-M632 HydrophobicContact CD2-SD 4.07Å; L629-M632 WeakPolarHBondContact O-CB 3.34Å; L629-M632 PolarHBondContact O-N 2.76Å; M632-K634 VanDerWaalsContact C-N 3.3Å; M632-K634 PolarHBondContact O-N 2.92Å; M632-A635 WeakPolarHBondContact O-CB 3.44Å; M632-A635 PolarHBondContact O-N 3.49Å; M632-L648 HydrophobicContact CB-CD1 4.31Å; M632-L648 HydrophobicContact CE-CD2 3.76Å; M632-L648 HydrophobicContact SD-CD2 4.16Å |
| 633 | V | 83.5 | Confident | 78 | Confident | 13 Ų | 13 | 31.6 Ų | 31.6 | 8% | 0.079 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -71.1 | -25.4 | 179.1 | 178.1 | 0 | 0 | 0 | 0 | 112.8 | L629 V631 A635 L648 F652 A673 P676 L677 | L629-V633 WeakPolarHBondContact O-CG2 3.37Å; L629-V633 PolarHBondContact O-N 3.31Å; V631-V633 VanDerWaalsContact C-N 3.31Å; V631-V633 PolarHBondContact O-N 3.27Å; V633-A635 PolarHBondContact O-N 3.06Å; V633-L648 HydrophobicContact CG2-CD1 3.9Å; V633-F652 HydrophobicContact CG2-CE2 4.1Å; V633-A673 HydrophobicContact CB-CB 4.31Å; V633-A673 VanDerWaalsContact CG1-O 3.28Å; V633-A673 WeakPolarHBondContact CG1-O 3.37Å; V633-A673 HydrophobicContact CG2-CB 4.4Å; V633-P676 HydrophobicContact CG1-CG 3.79Å; V633-L677 HydrophobicContact CG1-CD1 4.42Å; V633-L677 HydrophobicContact CG1-CD2 4.08Å; V633-L677 HydrophobicContact CG1-CG 3.91Å; V633-L677 HydrophobicContact CG2-CD1 3.72Å; V633-L677 HydrophobicContact CG2-CD2 4.22Å; V633-L677 HydrophobicContact CG2-CG 4.08Å |
| 634 | K | 77.3 | Confident | 77.8 | Confident | 145 Ų | 145 | 31 Ų | 31 | 63% | 0.63 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -6.3 | 173.8 | -70.2 | 174.3 | -173.2 | 174.3 | 0 | 113 | A630 V631 M632 | A630-K634 WeakPolarHBondContact O-CG 3.41Å; V631-K634 WeakPolarHBondContact O-CB 3.39Å; V631-K634 PolarHBondContact O-N 3.3Å; V631-K634 VanDerWaalsContact O-N 3.11Å; M632-K634 VanDerWaalsContact C-N 3.3Å; M632-K634 PolarHBondContact O-N 2.92Å |
| 635 | A | 68.8 | Low | 77.7 | Confident | 11 Ų | 11 | 30.8 Ų | 30.8 | 9% | 0.091 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -61.3 | 153.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | K564 L567 M632 V633 | K564-A635 HydrophobicContact CD-CB 3.83Å; K564-A635 HydrophobicContact CG-CB 4.2Å; L567-A635 HydrophobicContact CD1-CB 3.54Å; M632-A635 WeakPolarHBondContact O-CB 3.44Å; M632-A635 PolarHBondContact O-N 3.49Å; V633-A635 PolarHBondContact O-N 3.06Å |
| 636 | D | 59 | Low | 77.6 | Confident | 35 Ų | 35 | 32.1 Ų | 32.1 | 19% | 0.187 | 17% | 0.173 | C | C | . | . | trans | -61.5 | 139.7 | -178.1 | -65.2 | -64.9 | 0 | 0 | 0 | 111.1 | K564 A638 I639 L640 | K564-D636 IonicContact NZ-OD2 3.68Å; K564-D636 PolarHBondContact NZ-OD2 2.89Å; D636-A638 PolarHBondContact O-N 3.26Å; D636-I639 PolarHBondContact O-N 3.26Å; D636-L640 PolarHBondContact O-N 3.35Å | ||
| 637 | S | 56.6 | Low | 77.6 | Confident | 40 Ų | 40 | 33.2 Ų | 33.2 | 28% | 0.28 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -10.6 | -177.5 | 52.7 | 0 | 0 | 0 | 0 | 114.9 | K302 | K302-S637 WeakPolarHBondContact CE-OG 3.36Å; K302-S637 PolarHBondContact NZ-OG 3.4Å; K302-S637 VanDerWaalsContact NZ-OG 3.16Å |
| 638 | A | 51.3 | Low | 77.7 | Confident | 5 Ų | 5 | 31.7 Ų | 31.7 | 4% | 0.041 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -26.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | N298 D636 | N298-A638 HydrophobicContact CB-CB 4.03Å; N298-A638 WeakPolarHBondContact OD1-CB 3.42Å; D636-A638 PolarHBondContact O-N 3.26Å |
| 639 | I | 60.1 | Low | 77.8 | Confident | 13 Ų | 13 | 31.6 Ų | 31.6 | 7% | 0.067 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -37 | 177.3 | -57.9 | 165.1 | 0 | 0 | 0 | 109.7 | N347 L350 I351 K564 D636 T641 | N347-I639 HydrophobicContact CB-CD1 4.13Å; L350-I639 HydrophobicContact CD2-CG2 4.09Å; I351-I639 HydrophobicContact CD1-CD1 4.37Å; I351-I639 HydrophobicContact CD1-CG1 4.19Å; I351-I639 HydrophobicContact CG1-CG1 4.02Å; K564-I639 HydrophobicContact CB-CB 4.28Å; K564-I639 HydrophobicContact CB-CD1 3.87Å; K564-I639 HydrophobicContact CB-CG2 3.54Å; K564-I639 HydrophobicContact CD-CD1 3.61Å; K564-I639 HydrophobicContact CG-CD1 4.35Å; K564-I639 WeakPolarHBondContact O-CG2 3.26Å; D636-I639 PolarHBondContact O-N 3.26Å; I639-T641 PolarHBondContact O-N 3.14Å; I639-T641 VanDerWaalsContact O-N 3.09Å |
| 640 | L | 68.7 | Low | 78 | Confident | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -80.7 | 88.7 | 175.2 | -163.3 | 73 | 0 | 0 | 0 | 110.5 | L567 D636 T644 K645 L648 | L567-L640 HydrophobicContact CD1-CD1 4.34Å; D636-L640 PolarHBondContact O-N 3.35Å; L640-T644 HydrophobicContact CD1-CG2 3.55Å; L640-K645 HydrophobicContact CD2-CD 4.28Å; L640-K645 HydrophobicContact CD2-CG 3.48Å; L640-K645 VanDerWaalsContact CD2-CG 3.48Å; L640-K645 HydrophobicContact CG-CG 3.65Å; L640-L648 HydrophobicContact CD1-CD1 3.8Å; L640-L648 HydrophobicContact CD2-CD1 4.37Å |
| 641 | T | 73 | Confident | 78.2 | Confident | 47 Ų | 47 | 32.5 Ų | 32.5 | 29% | 0.288 | 17% | 0.168 | S | C | . | . | trans | -58.3 | 153.8 | 175.7 | 63.5 | 0 | 0 | 0 | 0 | 111.5 | V354 I639 Q643 T644 K645 | V354-T641 HydrophobicContact CG2-CG2 4.36Å; I639-T641 PolarHBondContact O-N 3.14Å; I639-T641 VanDerWaalsContact O-N 3.09Å; T641-Q643 PolarHBondContact O-N 2.99Å; T641-Q643 VanDerWaalsContact O-N 3.16Å; T641-T644 WeakPolarHBondContact O-CA 3.18Å; T641-T644 WeakPolarHBondContact O-CB 3.28Å; T641-T644 PolarHBondContact O-N 2.67Å; T641-T644 PolarHBondContact OG1-N 3.26Å; T641-T644 PolarHBondContact OG1-OG1 3.4Å; T641-K645 PolarHBondContact O-N 2.84Å | ||
| 642 | D | 77.9 | Confident | 78.6 | Confident | 77 Ų | 77 | 29.8 Ų | 29.8 | 41% | 0.412 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -58.7 | -31.7 | 179.7 | -64.8 | -30.9 | 0 | 0 | 0 | 112.2 | K645 E646 T682 | D642-K645 WeakPolarHBondContact O-CB 3.45Å; D642-K645 PolarHBondContact O-N 2.75Å; D642-E646 PolarHBondContact O-N 3.47Å; D642-T682 HydrophobicContact CB-CG2 3.81Å |
| 643 | Q | 81.4 | Confident | 79 | Confident | 130 Ų | 130 | 31 Ų | 31 | 61% | 0.607 | 16% | 0.158 | S | C | * | . | H | α-helix | trans | -66 | -43.6 | 172.2 | -68.1 | 179.7 | -8.2 | 0 | 0 | 112 | T641 K645 E646 M647 | T641-Q643 PolarHBondContact O-N 2.99Å; T641-Q643 VanDerWaalsContact O-N 3.16Å; Q643-K645 VanDerWaalsContact C-N 3.32Å; Q643-K645 PolarHBondContact O-N 3.18Å; Q643-E646 WeakPolarHBondContact O-CB 3.31Å; Q643-E646 PolarHBondContact O-N 2.85Å; Q643-M647 WeakPolarHBondContact O-CG 3.47Å; Q643-M647 PolarHBondContact O-N 2.92Å |
| 644 | T | 84.3 | Confident | 79.3 | Confident | 4 Ų | 4 | 31 Ų | 31 | 3% | 0.025 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.5 | -40 | 176.8 | -49.3 | 0 | 0 | 0 | 0 | 110.7 | A571 L640 T641 E646 M647 L648 | A571-T644 HydrophobicContact CB-CG2 4.07Å; L640-T644 HydrophobicContact CD1-CG2 3.55Å; T641-T644 WeakPolarHBondContact O-CA 3.18Å; T641-T644 WeakPolarHBondContact O-CB 3.28Å; T641-T644 PolarHBondContact O-N 2.67Å; T641-T644 PolarHBondContact OG1-N 3.26Å; T641-T644 PolarHBondContact OG1-OG1 3.4Å; T644-E646 VanDerWaalsContact C-N 3.32Å; T644-E646 PolarHBondContact O-N 3.01Å; T644-M647 PolarHBondContact O-N 2.94Å; T644-L648 WeakPolarHBondContact O-CG 3.33Å; T644-L648 PolarHBondContact O-N 2.95Å |
| 645 | K | 87.1 | Confident | 80 | Confident | 13 Ų | 13 | 24.2 Ų | 24.2 | 6% | 0.057 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57 | -45.3 | 172.5 | -69.2 | -177 | 177.4 | -178.8 | 0 | 111.7 | L640 T641 D642 Q643 L648 A649 L677 E680 | L640-K645 HydrophobicContact CD2-CD 4.28Å; L640-K645 HydrophobicContact CD2-CG 3.48Å; L640-K645 VanDerWaalsContact CD2-CG 3.48Å; L640-K645 HydrophobicContact CG-CG 3.65Å; T641-K645 PolarHBondContact O-N 2.84Å; D642-K645 WeakPolarHBondContact O-CB 3.45Å; D642-K645 PolarHBondContact O-N 2.75Å; Q643-K645 VanDerWaalsContact C-N 3.32Å; Q643-K645 PolarHBondContact O-N 3.18Å; K645-L648 PolarHBondContact O-N 3.07Å; K645-A649 WeakPolarHBondContact O-CB 3.46Å; K645-A649 PolarHBondContact O-N 3.37Å; K645-L677 HydrophobicContact CB-CD2 3.8Å; K645-L677 HydrophobicContact CD-CD2 4.47Å; K645-L677 HydrophobicContact CG-CD2 3.9Å; K645-E680 IonicContact NZ-OE2 3.49Å; K645-E680 PolarHBondContact NZ-OE2 2.69Å |
| 646 | E | 89.9 | Confident | 81 | Confident | 29 Ų | 29 | 23.7 Ų | 23.7 | 14% | 0.136 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.5 | -43.3 | 176.3 | -177.2 | 178.7 | 150.9 | 0 | 0 | 112.2 | D642 Q643 T644 L648 A649 R650 T682 | D642-E646 PolarHBondContact O-N 3.47Å; Q643-E646 WeakPolarHBondContact O-CB 3.31Å; Q643-E646 PolarHBondContact O-N 2.85Å; T644-E646 VanDerWaalsContact C-N 3.32Å; T644-E646 PolarHBondContact O-N 3.01Å; E646-L648 PolarHBondContact O-N 3.01Å; E646-A649 WeakPolarHBondContact O-CB 3.47Å; E646-A649 PolarHBondContact O-N 3.32Å; E646-R650 VanDerWaalsContact O-CG 3.27Å; E646-R650 WeakPolarHBondContact O-CG 3.31Å; E646-R650 PolarHBondContact O-N 3.19Å; E646-R650 IonicContact OE1-CZ 3.39Å; E646-R650 IonicContact OE1-NE 2.7Å; E646-R650 PolarHBondContact OE1-NE 3.46Å; E646-R650 VanDerWaalsContact OE1-NE 3.17Å; E646-R650 IonicContact OE1-NH2 3.82Å; E646-R650 PolarHBondContact OE1-NH2 3.08Å; E646-T682 WeakPolarHBondContact OE2-CB 3.13Å; E646-T682 WeakPolarHBondContact OE2-CG2 3.27Å; E646-T682 PolarHBondContact OE2-OG1 3.39Å |
| 647 | M | 88.8 | Confident | 82.4 | Confident | 28 Ų | 28 | 27.6 Ų | 27.6 | 14% | 0.138 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.9 | -44.5 | 175.7 | -67.6 | -177.2 | 94.7 | 0 | 0 | 111.9 | Y568 A571 C572 V575 Q643 T644 A649 R650 V651 | Y568-M647 HydrophobicContact CD2-SD 4.28Å; Y568-M647 HydrophobicContact CE2-SD 3.89Å; A571-M647 HydrophobicContact CB-CB 4.01Å; C572-M647 VanDerWaalsContact CA-CE 3.4Å; C572-M647 HydrophobicContact CB-CE 3.76Å; V575-M647 HydrophobicContact CB-CE 4.04Å; V575-M647 HydrophobicContact CG1-CE 4.35Å; V575-M647 HydrophobicContact CG2-CB 3.75Å; V575-M647 HydrophobicContact CG2-CE 3.92Å; V575-M647 HydrophobicContact CG2-CG 4.18Å; V575-M647 WeakPolarHBondContact CG2-O 3.42Å; Q643-M647 WeakPolarHBondContact O-CG 3.47Å; Q643-M647 PolarHBondContact O-N 2.92Å; T644-M647 PolarHBondContact O-N 2.94Å; M647-A649 PolarHBondContact O-N 3.17Å; M647-R650 WeakPolarHBondContact O-CB 3.46Å; M647-R650 PolarHBondContact O-N 3.16Å; M647-V651 WeakPolarHBondContact O-CG2 3.31Å; M647-V651 PolarHBondContact O-N 3.25Å |
| 648 | L | 91 | Very high | 83.9 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.2 | -42.1 | 175.9 | -63.6 | 176 | 0 | 0 | 0 | 111.5 | A571 L629 M632 V633 L640 T644 K645 E646 R650 V651 F652 L677 | A571-L648 HydrophobicContact CB-CD2 3.97Å; A571-L648 HydrophobicContact CB-CG 4.46Å; L629-L648 HydrophobicContact CD2-CD2 3.51Å; M632-L648 HydrophobicContact CB-CD1 4.31Å; M632-L648 HydrophobicContact CE-CD2 3.76Å; M632-L648 HydrophobicContact SD-CD2 4.16Å; V633-L648 HydrophobicContact CG2-CD1 3.9Å; L640-L648 HydrophobicContact CD1-CD1 3.8Å; L640-L648 HydrophobicContact CD2-CD1 4.37Å; T644-L648 WeakPolarHBondContact O-CG 3.33Å; T644-L648 PolarHBondContact O-N 2.95Å; K645-L648 PolarHBondContact O-N 3.07Å; E646-L648 PolarHBondContact O-N 3.01Å; L648-R650 VanDerWaalsContact C-N 3.34Å; L648-R650 PolarHBondContact O-N 3.34Å; L648-V651 PolarHBondContact O-N 3.26Å; L648-F652 VanDerWaalsContact O-CD2 3.23Å; L648-F652 WeakPolarHBondContact O-CD2 3.3Å; L648-F652 PolarHBondContact O-N 3.26Å; L648-L677 HydrophobicContact CB-CD1 4.12Å |
| 649 | A | 91.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.3 | -42.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K645 E646 M647 F652 L653 G685 A689 | K645-A649 WeakPolarHBondContact O-CB 3.46Å; K645-A649 PolarHBondContact O-N 3.37Å; E646-A649 WeakPolarHBondContact O-CB 3.47Å; E646-A649 PolarHBondContact O-N 3.32Å; M647-A649 PolarHBondContact O-N 3.17Å; A649-F652 PolarHBondContact O-N 3.5Å; A649-L653 PolarHBondContact O-N 2.92Å; A649-G685 WeakPolarHBondContact CB-O 3.46Å; A649-A689 HydrophobicContact CB-CB 3.84Å |
| 650 | R | 91.7 | Very high | 86.8 | Confident | 30 Ų | 30 | 39.8 Ų | 39.8 | 11% | 0.113 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61 | -45.6 | 174.8 | -71.9 | 162.8 | 178.1 | -102 | 2 | 111.9 | S580 D582 E646 M647 L648 L653 A654 | S580-R650 WeakPolarHBondContact O-CD 3.47Å; S580-R650 PolarHBondContact O-NH1 3.24Å; D582-R650 VanDerWaalsContact N-NH1 3.16Å; D582-R650 IonicContact OD1-CZ 2.73Å; D582-R650 IonicContact OD1-NH1 3.03Å; D582-R650 PolarHBondContact OD1-NH1 3.45Å; D582-R650 IonicContact OD1-NH2 3.64Å; D582-R650 PolarHBondContact OD1-NH2 3.06Å; D582-R650 IonicContact OD2-NH2 3.82Å; D582-R650 PolarHBondContact OD2-NH2 3.17Å; E646-R650 VanDerWaalsContact O-CG 3.27Å; E646-R650 WeakPolarHBondContact O-CG 3.31Å; E646-R650 PolarHBondContact O-N 3.19Å; E646-R650 IonicContact OE1-CZ 3.39Å; E646-R650 IonicContact OE1-NE 2.7Å; E646-R650 PolarHBondContact OE1-NE 3.46Å; E646-R650 VanDerWaalsContact OE1-NE 3.17Å; E646-R650 IonicContact OE1-NH2 3.82Å; E646-R650 PolarHBondContact OE1-NH2 3.08Å; M647-R650 WeakPolarHBondContact O-CB 3.46Å; M647-R650 PolarHBondContact O-N 3.16Å; L648-R650 VanDerWaalsContact C-N 3.34Å; L648-R650 PolarHBondContact O-N 3.34Å; R650-L653 PolarHBondContact O-N 3.26Å; R650-A654 PolarHBondContact O-N 3.05Å; R650-A654 VanDerWaalsContact O-N 3.07Å |
| 651 | V | 92.4 | Very high | 87.7 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.8 | -48.3 | 176.7 | 174.5 | 0 | 0 | 0 | 0 | 110.3 | L574 V575 L629 M647 L648 L653 A654 L655 | L574-V651 HydrophobicContact CB-CG1 4.26Å; L574-V651 HydrophobicContact CB-CG2 3.83Å; V575-V651 HydrophobicContact CB-CG2 4.4Å; V575-V651 HydrophobicContact CG2-CG2 3.6Å; L629-V651 HydrophobicContact CD1-CG1 3.88Å; L629-V651 HydrophobicContact CD2-CG1 4.47Å; M647-V651 WeakPolarHBondContact O-CG2 3.31Å; M647-V651 PolarHBondContact O-N 3.25Å; L648-V651 PolarHBondContact O-N 3.26Å; V651-L653 VanDerWaalsContact C-N 3.27Å; V651-L653 PolarHBondContact O-N 2.84Å; V651-A654 PolarHBondContact O-N 2.83Å; V651-L655 HydrophobicContact CG1-CD1 3.94Å; V651-L655 HydrophobicContact CG1-CG 4.25Å; V651-L655 VanDerWaalsContact O-CG 3.27Å; V651-L655 WeakPolarHBondContact O-CG 3.49Å; V651-L655 PolarHBondContact O-N 3.31Å |
| 652 | F | 92.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.3 | -38.8 | 176.7 | -85.2 | -68 | 0 | 0 | 0 | 112.9 | I626 L629 V633 L648 A649 L655 T656 A673 L674 L677 A692 | I626-F652 HydrophobicContact CD1-CD1 4.27Å; I626-F652 HydrophobicContact CD1-CE1 4.04Å; L629-F652 HydrophobicContact CB-CE1 4.16Å; L629-F652 HydrophobicContact CB-CE2 3.83Å; L629-F652 HydrophobicContact CB-CZ 3.44Å; L629-F652 VanDerWaalsContact CB-CZ 3.44Å; L629-F652 HydrophobicContact CD1-CD1 4.27Å; L629-F652 HydrophobicContact CD1-CD2 4.46Å; L629-F652 HydrophobicContact CD1-CE1 4Å; L629-F652 HydrophobicContact CD1-CE2 4.19Å; L629-F652 HydrophobicContact CD1-CG 4.49Å; L629-F652 HydrophobicContact CD1-CZ 3.96Å; L629-F652 HydrophobicContact CG-CZ 4.33Å; V633-F652 HydrophobicContact CG2-CE2 4.1Å; L648-F652 VanDerWaalsContact O-CD2 3.23Å; L648-F652 WeakPolarHBondContact O-CD2 3.3Å; L648-F652 PolarHBondContact O-N 3.26Å; A649-F652 PolarHBondContact O-N 3.5Å; F652-L655 PolarHBondContact O-N 3.43Å; F652-T656 VanDerWaalsContact O-CG2 3.27Å; F652-T656 WeakPolarHBondContact O-CG2 3.37Å; F652-T656 PolarHBondContact O-N 2.83Å; F652-T656 VanDerWaalsContact O-N 3.08Å; F652-T656 PolarHBondContact O-OG1 3.44Å; F652-A673 HydrophobicContact CE2-CB 4.47Å; F652-A673 HydrophobicContact CZ-CB 3.96Å; F652-L674 HydrophobicContact CB-CD1 4.45Å; F652-L674 HydrophobicContact CB-CD2 3.65Å; F652-L674 HydrophobicContact CB-CG 4.3Å; F652-L674 HydrophobicContact CD1-CD1 4.38Å; F652-L674 HydrophobicContact CD1-CD2 4.42Å; F652-L674 HydrophobicContact CD1-CG 4.23Å; F652-L674 HydrophobicContact CD2-CD2 3.87Å; F652-L674 HydrophobicContact CD2-CG 4.3Å; F652-L674 HydrophobicContact CG-CD1 4.46Å; F652-L674 HydrophobicContact CG-CD2 3.75Å; F652-L674 HydrophobicContact CG-CG 4.05Å; F652-L677 HydrophobicContact CD2-CD1 4Å; F652-L677 HydrophobicContact CE2-CD1 4.09Å; F652-A692 HydrophobicContact CB-CB 4.47Å |
| 653 | L | 92 | Very high | 88.7 | Confident | 28 Ų | 28 | 38.4 Ų | 38.4 | 15% | 0.147 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.1 | -44.3 | 176.8 | 178 | 60.7 | 0 | 0 | 0 | 112.1 | A649 R650 V651 L655 T656 K688 F691 A692 K695 | A649-L653 PolarHBondContact O-N 2.92Å; R650-L653 PolarHBondContact O-N 3.26Å; V651-L653 VanDerWaalsContact C-N 3.27Å; V651-L653 PolarHBondContact O-N 2.84Å; L653-L655 VanDerWaalsContact C-N 3.32Å; L653-L655 PolarHBondContact O-N 2.86Å; L653-T656 WeakPolarHBondContact CA-OG1 3.48Å; L653-T656 PolarHBondContact O-N 3.38Å; L653-T656 PolarHBondContact O-OG1 3.26Å; L653-K688 HydrophobicContact CD2-CB 4.16Å; L653-K688 HydrophobicContact CD2-CD 3.62Å; L653-K688 HydrophobicContact CD2-CG 4.34Å; L653-F691 HydrophobicContact CD1-CB 4.32Å; L653-F691 HydrophobicContact CD1-CD1 3.28Å; L653-F691 HydrophobicContact CD1-CE1 3.76Å; L653-F691 HydrophobicContact CD1-CG 3.94Å; L653-F691 HydrophobicContact CD2-CD1 3.73Å; L653-F691 HydrophobicContact CD2-CE1 4.31Å; L653-F691 HydrophobicContact CG-CD1 4.14Å; L653-A692 HydrophobicContact CB-CB 4.35Å; L653-A692 HydrophobicContact CD1-CB 4.36Å; L653-K695 HydrophobicContact CD1-CD 4.23Å |
| 654 | A | 90.8 | Very high | 89 | Confident | 13 Ų | 13 | 34.5 Ų | 34.5 | 11% | 0.107 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.8 | -36.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T578 S580 R650 V651 T656 | T578-A654 HydrophobicContact CG2-CB 4.45Å; S580-A654 VanDerWaalsContact OG-CB 3.29Å; S580-A654 WeakPolarHBondContact OG-CB 3.41Å; R650-A654 PolarHBondContact O-N 3.05Å; R650-A654 VanDerWaalsContact O-N 3.07Å; V651-A654 PolarHBondContact O-N 2.83Å; A654-T656 VanDerWaalsContact C-N 3.29Å; A654-T656 PolarHBondContact O-N 3.38Å |
| 655 | L | 91.1 | Very high | 89.2 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69 | -26.8 | 176.6 | -63.9 | 178 | 0 | 0 | 0 | 112.9 | V617 L621 V625 I626 L629 V651 F652 L653 I665 | V617-L655 HydrophobicContact CG1-CD2 3.81Å; V617-L655 HydrophobicContact CG2-CD2 4.48Å; L621-L655 HydrophobicContact CD2-CB 4.38Å; L621-L655 HydrophobicContact CD2-CD1 4.5Å; L621-L655 HydrophobicContact CD2-CD2 4.16Å; L621-L655 HydrophobicContact CG-CD2 4.19Å; V625-L655 HydrophobicContact CG1-CD1 3.7Å; V625-L655 HydrophobicContact CG1-CD2 4.28Å; I626-L655 HydrophobicContact CD1-CB 4.46Å; I626-L655 HydrophobicContact CD1-CD1 3.45Å; I626-L655 VanDerWaalsContact CD1-CD1 3.45Å; L629-L655 HydrophobicContact CD1-CD1 3.78Å; V651-L655 HydrophobicContact CG1-CD1 3.94Å; V651-L655 HydrophobicContact CG1-CG 4.25Å; V651-L655 VanDerWaalsContact O-CG 3.27Å; V651-L655 WeakPolarHBondContact O-CG 3.49Å; V651-L655 PolarHBondContact O-N 3.31Å; F652-L655 PolarHBondContact O-N 3.43Å; L653-L655 VanDerWaalsContact C-N 3.32Å; L653-L655 PolarHBondContact O-N 2.86Å; L655-I665 HydrophobicContact CB-CD1 4.24Å; L655-I665 WeakPolarHBondContact O-CD1 3.42Å |
| 656 | T | 90 | Very high | 89.3 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 2.8 | -175.6 | 52.8 | 0 | 0 | 0 | 0 | 114.5 | F652 L653 A654 R662 I665 I696 | F652-T656 VanDerWaalsContact O-CG2 3.27Å; F652-T656 WeakPolarHBondContact O-CG2 3.37Å; F652-T656 PolarHBondContact O-N 2.83Å; F652-T656 VanDerWaalsContact O-N 3.08Å; F652-T656 PolarHBondContact O-OG1 3.44Å; L653-T656 WeakPolarHBondContact CA-OG1 3.48Å; L653-T656 PolarHBondContact O-N 3.38Å; L653-T656 PolarHBondContact O-OG1 3.26Å; A654-T656 VanDerWaalsContact C-N 3.29Å; A654-T656 PolarHBondContact O-N 3.38Å; T656-R662 PolarHBondContact O-NE 3.32Å; T656-R662 PolarHBondContact O-NH2 3.03Å; T656-I665 HydrophobicContact CG2-CD1 3.75Å; T656-I665 HydrophobicContact CG2-CG2 4.39Å; T656-I696 HydrophobicContact CG2-CD1 3.96Å; T656-I696 HydrophobicContact CG2-CG1 4.03Å |
| 657 | E | 88.1 | Confident | 89.2 | Confident | 118 Ų | 118 | 37.3 Ų | 37.3 | 55% | 0.551 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -60.9 | -51.2 | -178 | -162.7 | 161.9 | -172.8 | 0 | 0 | 111.3 | R662 | E657-R662 PolarHBondContact O-NH2 3.35Š|
| 658 | D | 87.6 | Confident | 89.1 | Confident | 49 Ų | 49 | 40.8 Ų | 40.8 | 26% | 0.262 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -72.7 | 125.1 | 177.4 | -89.3 | -17.1 | 0 | 0 | 0 | 112.3 | K618 K660 D661 R662 | K618-D658 WeakPolarHBondContact CE-OD2 3.4Å; K618-D658 IonicContact NZ-OD2 2.86Å; K618-D658 PolarHBondContact NZ-OD2 3.43Å; D658-K660 VanDerWaalsContact C-N 3.32Å; D658-K660 PolarHBondContact O-N 2.93Å; D658-D661 HydrophobicContact CB-CB 4.47Å; D658-D661 PolarHBondContact O-N 3.37Å; D658-R662 WeakPolarHBondContact O-CG 3.33Å |
| 659 | S | 84.9 | Confident | 88.9 | Confident | 73 Ų | 73 | 42 Ų | 42 | 51% | 0.51 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -31 | -177.4 | 61.2 | 0 | 0 | 0 | 0 | 114 | D661 | S659-D661 VanDerWaalsContact C-N 3.32Å; S659-D661 PolarHBondContact O-N 2.8Å |
| 660 | K | 87.9 | Confident | 88.6 | Confident | 191 Ų | 191 | 42 Ų | 42 | 83% | 0.83 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -31.3 | -178.9 | -64.7 | 179 | -178.5 | 175.9 | 0 | 112.5 | D658 | D658-K660 VanDerWaalsContact C-N 3.32Å; D658-K660 PolarHBondContact O-N 2.93Å |
| 661 | D | 87.1 | Confident | 88.3 | Confident | 37 Ų | 37 | 40.6 Ų | 40.6 | 20% | 0.198 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -16.9 | -174.3 | -66.6 | -33.1 | 0 | 0 | 0 | 112.6 | L621 D658 S659 G663 A664 I665 | L621-D661 HydrophobicContact CD1-CB 3.66Å; D658-D661 HydrophobicContact CB-CB 4.47Å; D658-D661 PolarHBondContact O-N 3.37Å; S659-D661 VanDerWaalsContact C-N 3.32Å; S659-D661 PolarHBondContact O-N 2.8Å; D661-G663 VanDerWaalsContact C-N 3.26Å; D661-G663 PolarHBondContact O-N 3.07Å; D661-A664 PolarHBondContact O-N 3.5Å; D661-I665 WeakPolarHBondContact O-CG1 3.38Å; D661-I665 PolarHBondContact O-N 3.48Å |
| 662 | R | 87.4 | Confident | 87.9 | Confident | 15 Ų | 15 | 44.9 Ų | 44.9 | 6% | 0.057 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.6 | -37 | -178.5 | -61.1 | -178.8 | -172 | 173.6 | 9.7 | 112.9 | T656 E657 D658 I665 V666 K695 | T656-R662 PolarHBondContact O-NE 3.32Å; T656-R662 PolarHBondContact O-NH2 3.03Å; E657-R662 PolarHBondContact O-NH2 3.35Å; D658-R662 WeakPolarHBondContact O-CG 3.33Å; R662-I665 PolarHBondContact O-N 2.88Å; R662-V666 WeakPolarHBondContact O-CG2 3.01Å; R662-V666 PolarHBondContact O-N 3.29Å; R662-K695 WeakPolarHBondContact CD-O 3.43Å; R662-K695 PolarHBondContact NH1-O 3.43Å |
| 663 | G | 86 | Confident | 87.7 | Confident | 46 Ų | 46 | 45.2 Ų | 45.2 | 47% | 0.474 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | D661 I665 V666 A667 | D661-G663 VanDerWaalsContact C-N 3.26Å; D661-G663 PolarHBondContact O-N 3.07Å; G663-I665 VanDerWaalsContact C-N 3.35Å; G663-V666 PolarHBondContact O-N 3.4Å; G663-A667 PolarHBondContact O-N 3.06Å |
| 664 | A | 87.2 | Confident | 87.6 | Confident | 49 Ų | 49 | 43.9 Ų | 43.9 | 41% | 0.405 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.8 | -37.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D661 V666 A667 H668 | D661-A664 PolarHBondContact O-N 3.5Å; A664-V666 PolarHBondContact O-N 2.77Å; A664-A667 PolarHBondContact O-N 3.33Å; A664-H668 PolarHBondContact O-N 3.02Å; A664-H668 VanDerWaalsContact O-N 3.12Å; A664-H668 PolarHBondContact O-ND1 2.86Å |
| 665 | I | 88.9 | Confident | 87.5 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 176.9 | -64.3 | 168.8 | 0 | 0 | 0 | 111 | L621 I626 L655 T656 D661 R662 G663 H668 G669 G670 I696 | L621-I665 HydrophobicContact CD2-CD1 4.37Å; L621-I665 HydrophobicContact CD2-CG1 4.03Å; I626-I665 HydrophobicContact CD1-CB 4.46Å; I626-I665 HydrophobicContact CD1-CG1 3.99Å; I626-I665 HydrophobicContact CD1-CG2 4.01Å; I626-I665 HydrophobicContact CG1-CB 4.5Å; I626-I665 HydrophobicContact CG1-CG1 4.09Å; I626-I665 HydrophobicContact CG1-CG2 4.43Å; I626-I665 HydrophobicContact CG2-CG2 4.46Å; L655-I665 HydrophobicContact CB-CD1 4.24Å; L655-I665 WeakPolarHBondContact O-CD1 3.42Å; T656-I665 HydrophobicContact CG2-CD1 3.75Å; T656-I665 HydrophobicContact CG2-CG2 4.39Å; D661-I665 WeakPolarHBondContact O-CG1 3.38Å; D661-I665 PolarHBondContact O-N 3.48Å; R662-I665 PolarHBondContact O-N 2.88Å; G663-I665 VanDerWaalsContact C-N 3.35Å; I665-H668 PolarHBondContact O-N 3.41Å; I665-G669 PolarHBondContact O-N 3.07Å; I665-G670 WeakPolarHBondContact O-CA 3.31Å; I665-G670 PolarHBondContact O-N 2.98Å; I665-I696 HydrophobicContact CG2-CD1 4.2Å |
| 666 | V | 89 | Confident | 87.3 | Confident | 18 Ų | 18 | 45.6 Ų | 45.6 | 11% | 0.109 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.8 | -47.7 | 175.5 | 169 | 0 | 0 | 0 | 0 | 111.2 | R662 G663 A664 H668 G669 I696 I704 A705 | R662-V666 WeakPolarHBondContact O-CG2 3.01Å; R662-V666 PolarHBondContact O-N 3.29Å; G663-V666 PolarHBondContact O-N 3.4Å; A664-V666 PolarHBondContact O-N 2.77Å; V666-H668 PolarHBondContact O-N 3.21Å; V666-G669 PolarHBondContact O-N 2.87Å; V666-I696 HydrophobicContact CG2-CG2 3.46Å; V666-I696 VanDerWaalsContact CG2-CG2 3.46Å; V666-I704 HydrophobicContact CG1-CG2 4.37Å; V666-A705 HydrophobicContact CG1-CB 4.34Å; V666-A705 HydrophobicContact CG2-CB 4.4Å |
| 667 | A | 87.1 | Confident | 87.2 | Confident | 85 Ų | 85 | 45.7 Ų | 45.7 | 70% | 0.702 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -59 | -34.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G663 A664 G669 | G663-A667 PolarHBondContact O-N 3.06Å; A664-A667 PolarHBondContact O-N 3.33Å; A667-G669 VanDerWaalsContact C-N 3.26Å; A667-G669 PolarHBondContact O-N 3.29Å |
| 668 | H | 87.3 | Confident | 87.1 | Confident | 102 Ų | 102 | 40.4 Ų | 40.4 | 47% | 0.472 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | 8.6 | 177 | -66.6 | 85.9 | 0 | 0 | 0 | 113.8 | I626 A664 I665 V666 | I626-H668 HydrophobicContact CB-CB 3.86Å; I626-H668 HydrophobicContact CG2-CB 3.61Å; A664-H668 PolarHBondContact O-N 3.02Å; A664-H668 VanDerWaalsContact O-N 3.12Å; A664-H668 PolarHBondContact O-ND1 2.86Å; I665-H668 PolarHBondContact O-N 3.41Å; V666-H668 PolarHBondContact O-N 3.21Å |
| 669 | G | 86.3 | Confident | 87 | Confident | 25 Ų | 25 | 41.4 Ų | 41.4 | 26% | 0.258 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | 17.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | I665 V666 A667 G671 K672 A673 | I665-G669 PolarHBondContact O-N 3.07Å; V666-G669 PolarHBondContact O-N 2.87Å; A667-G669 VanDerWaalsContact C-N 3.26Å; A667-G669 PolarHBondContact O-N 3.29Å; G669-G671 PolarHBondContact O-N 2.94Å; G669-K672 WeakPolarHBondContact O-CB 3.48Å; G669-K672 PolarHBondContact O-N 3.02Å; G669-A673 PolarHBondContact O-N 3.43Å; G669-A673 VanDerWaalsContact O-N 3.17Å |
| 670 | G | 85.4 | Confident | 86.8 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.6 | -40.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I665 K672 A673 L674 | I665-G670 WeakPolarHBondContact O-CA 3.31Å; I665-G670 PolarHBondContact O-N 2.98Å; G670-K672 VanDerWaalsContact C-N 3.32Å; G670-K672 PolarHBondContact O-N 3.35Å; G670-A673 PolarHBondContact O-N 3.05Å; G670-L674 PolarHBondContact O-N 2.86Å |
| 671 | G | 84.3 | Confident | 86.4 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.9 | -41 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | G669 A673 | G669-G671 PolarHBondContact O-N 2.94Å; G671-A673 PolarHBondContact O-N 2.82Å |
| 672 | K | 85.9 | Confident | 86.3 | Confident | 90 Ų | 90 | 34.4 Ų | 34.4 | 39% | 0.391 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.3 | -37 | 176.6 | -174.5 | -178.3 | 174.6 | 167.4 | 0 | 112.7 | G669 G670 | G669-K672 WeakPolarHBondContact O-CB 3.48Å; G669-K672 PolarHBondContact O-N 3.02Å; G670-K672 VanDerWaalsContact C-N 3.32Å; G670-K672 PolarHBondContact O-N 3.35Å |
| 673 | A | 87.2 | Confident | 86.2 | Confident | 8 Ų | 8 | 39.7 Ų | 39.7 | 7% | 0.066 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -75.5 | -33.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A630 V633 F652 G669 G670 G671 I675 P676 | A630-A673 HydrophobicContact CB-CB 4.08Å; V633-A673 HydrophobicContact CB-CB 4.31Å; V633-A673 VanDerWaalsContact CG1-O 3.28Å; V633-A673 WeakPolarHBondContact CG1-O 3.37Å; V633-A673 HydrophobicContact CG2-CB 4.4Å; F652-A673 HydrophobicContact CE2-CB 4.47Å; F652-A673 HydrophobicContact CZ-CB 3.96Å; G669-A673 PolarHBondContact O-N 3.43Å; G669-A673 VanDerWaalsContact O-N 3.17Å; G670-A673 PolarHBondContact O-N 3.05Å; G671-A673 PolarHBondContact O-N 2.82Å; A673-I675 PolarHBondContact O-N 3.48Å; A673-P676 VanDerWaalsContact O-CD 3.3Å; A673-P676 WeakPolarHBondContact O-CD 3.38Å; A673-P676 WeakPolarHBondContact O-CG 3.4Å |
| 674 | L | 89.6 | Confident | 86.3 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -71.2 | -28.9 | -176.5 | -84.6 | 167.6 | 0 | 0 | 0 | 114.7 | F652 G670 L677 A678 A689 A692 L693 I696 | F652-L674 HydrophobicContact CB-CD1 4.45Å; F652-L674 HydrophobicContact CB-CD2 3.65Å; F652-L674 HydrophobicContact CB-CG 4.3Å; F652-L674 HydrophobicContact CD1-CD1 4.38Å; F652-L674 HydrophobicContact CD1-CD2 4.42Å; F652-L674 HydrophobicContact CD1-CG 4.23Å; F652-L674 HydrophobicContact CD2-CD2 3.87Å; F652-L674 HydrophobicContact CD2-CG 4.3Å; F652-L674 HydrophobicContact CG-CD1 4.46Å; F652-L674 HydrophobicContact CG-CD2 3.75Å; F652-L674 HydrophobicContact CG-CG 4.05Å; G670-L674 PolarHBondContact O-N 2.86Å; L674-L677 HydrophobicContact CD2-CD1 4.47Å; L674-L677 WeakPolarHBondContact O-CB 3.24Å; L674-L677 PolarHBondContact O-N 3.23Å; L674-L677 VanDerWaalsContact O-N 3.16Å; L674-A678 PolarHBondContact O-N 3.44Å; L674-A689 HydrophobicContact CD2-CB 4.22Å; L674-A692 HydrophobicContact CD1-CB 3.9Å; L674-A692 HydrophobicContact CD2-CB 4.03Å; L674-L693 HydrophobicContact CB-CD1 4.26Å; L674-L693 HydrophobicContact CB-CD2 3.41Å; L674-L693 VanDerWaalsContact CB-CD2 3.41Å; L674-L693 HydrophobicContact CB-CG 3.67Å; L674-L693 HydrophobicContact CD1-CD2 4.13Å; L674-L693 HydrophobicContact CD1-CG 4.33Å; L674-L693 HydrophobicContact CG-CD2 4.41Å; L674-I696 HydrophobicContact CD1-CD1 3.68Å |
| 675 | I | 88.8 | Confident | 86.3 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -54.5 | -54.8 | -178.3 | -62.5 | 170.7 | 0 | 0 | 0 | 112.9 | A673 L677 A678 L679 L693 F706 R710 E713 V714 | A673-I675 PolarHBondContact O-N 3.48Å; I675-L677 VanDerWaalsContact C-N 3.27Å; I675-L677 PolarHBondContact O-N 2.93Å; I675-A678 PolarHBondContact O-N 2.91Å; I675-A678 VanDerWaalsContact O-N 3.09Å; I675-L679 HydrophobicContact CG2-CD1 4.11Å; I675-L679 PolarHBondContact O-N 2.73Å; I675-L693 HydrophobicContact CG1-CD2 4.42Å; I675-F706 HydrophobicContact CD1-CD1 4.08Å; I675-R710 HydrophobicContact CD1-CB 3.87Å; I675-E713 HydrophobicContact CG2-CB 3.92Å; I675-E713 WeakPolarHBondContact CG2-OE2 3.44Å; I675-V714 HydrophobicContact CD1-CG2 3.86Å; I675-V714 HydrophobicContact CG1-CG2 3.95Å |
| 676 | P | 86.8 | Confident | 86.4 | Confident | 48 Ų | 48 | 43.3 Ų | 43.3 | 31% | 0.312 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.2 | -30.7 | 178.4 | 21.7 | -32.8 | 0 | 0 | 0 | 113.3 | V633 A673 A678 L679 E680 | V633-P676 HydrophobicContact CG1-CG 3.79Å; A673-P676 VanDerWaalsContact O-CD 3.3Å; A673-P676 WeakPolarHBondContact O-CD 3.38Å; A673-P676 WeakPolarHBondContact O-CG 3.4Å; P676-A678 VanDerWaalsContact C-N 3.3Å; P676-A678 PolarHBondContact O-N 2.9Å; P676-L679 PolarHBondContact O-N 3.01Å; P676-E680 WeakPolarHBondContact O-CB 3.42Å; P676-E680 PolarHBondContact O-N 2.99Å |
| 677 | L | 87.5 | Confident | 86.5 | Confident | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.8 | -27.5 | 175 | -63.8 | 179.3 | 0 | 0 | 0 | 112.9 | V633 K645 L648 F652 L674 I675 E680 A689 | V633-L677 HydrophobicContact CG1-CD1 4.42Å; V633-L677 HydrophobicContact CG1-CD2 4.08Å; V633-L677 HydrophobicContact CG1-CG 3.91Å; V633-L677 HydrophobicContact CG2-CD1 3.72Å; V633-L677 HydrophobicContact CG2-CD2 4.22Å; V633-L677 HydrophobicContact CG2-CG 4.08Å; K645-L677 HydrophobicContact CB-CD2 3.8Å; K645-L677 HydrophobicContact CD-CD2 4.47Å; K645-L677 HydrophobicContact CG-CD2 3.9Å; L648-L677 HydrophobicContact CB-CD1 4.12Å; F652-L677 HydrophobicContact CD2-CD1 4Å; F652-L677 HydrophobicContact CE2-CD1 4.09Å; L674-L677 HydrophobicContact CD2-CD1 4.47Å; L674-L677 WeakPolarHBondContact O-CB 3.24Å; L674-L677 PolarHBondContact O-N 3.23Å; L674-L677 VanDerWaalsContact O-N 3.16Å; I675-L677 VanDerWaalsContact C-N 3.27Å; I675-L677 PolarHBondContact O-N 2.93Å; L677-E680 VanDerWaalsContact O-O 3.12Å; L677-A689 HydrophobicContact CB-CB 3.81Å |
| 678 | A | 87.3 | Confident | 86.7 | Confident | 7 Ų | 7 | 41.6 Ų | 41.6 | 6% | 0.058 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -80.6 | -25.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L674 I675 P676 K686 A689 L693 P717 | L674-A678 PolarHBondContact O-N 3.44Å; I675-A678 PolarHBondContact O-N 2.91Å; I675-A678 VanDerWaalsContact O-N 3.09Å; P676-A678 VanDerWaalsContact C-N 3.3Å; P676-A678 PolarHBondContact O-N 2.9Å; A678-K686 WeakPolarHBondContact O-CG 3.44Å; A678-A689 HydrophobicContact CB-CB 4.08Å; A678-L693 HydrophobicContact CB-CD1 3.57Å; A678-P717 HydrophobicContact CB-CB 3.89Å; A678-P717 HydrophobicContact CB-CG 3.85Å |
| 679 | L | 84.9 | Confident | 86.9 | Confident | 69 Ų | 69 | 36.8 Ų | 36.8 | 36% | 0.361 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -90.3 | -36 | 178.2 | -64.3 | 173.9 | 0 | 0 | 0 | 112.6 | I675 P676 K686 P717 | I675-L679 HydrophobicContact CG2-CD1 4.11Å; I675-L679 PolarHBondContact O-N 2.73Å; P676-L679 PolarHBondContact O-N 3.01Å; L679-K686 WeakPolarHBondContact O-CE 3.25Å; L679-P717 HydrophobicContact CD2-CG 3.94Å; L679-P717 HydrophobicContact CG-CG 4.46Å |
| 680 | E | 81.1 | Confident | 87.2 | Confident | 100 Ų | 100 | 35.6 Ų | 35.6 | 47% | 0.467 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -121.4 | 141.1 | -174.9 | -58.6 | -177.1 | -180 | 0 | 0 | 112.6 | K645 P676 L677 | K645-E680 IonicContact NZ-OE2 3.49Å; K645-E680 PolarHBondContact NZ-OE2 2.69Å; P676-E680 WeakPolarHBondContact O-CB 3.42Å; P676-E680 PolarHBondContact O-N 2.99Å; L677-E680 VanDerWaalsContact O-O 3.12Å |
| 681 | G | 80.3 | Confident | 87.6 | Confident | 17 Ų | 17 | 36.6 Ų | 36.6 | 18% | 0.175 | 18% | 0.184 | C | C | . | . | S | Bend | trans | 130.4 | -161.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | K686 | G681-K686 VanDerWaalsContact O-CE 3.26Å; G681-K686 WeakPolarHBondContact O-CE 3.26Å |
| 682 | T | 84.6 | Confident | 88 | Confident | 37 Ų | 37 | 36.5 Ų | 36.5 | 23% | 0.227 | 18% | 0.183 | C | C | . | . | trans | -68 | 153 | 173.2 | 65.8 | 0 | 0 | 0 | 0 | 110.8 | D642 E646 K684 G685 K686 | D642-T682 HydrophobicContact CB-CG2 3.81Å; E646-T682 WeakPolarHBondContact OE2-CB 3.13Å; E646-T682 WeakPolarHBondContact OE2-CG2 3.27Å; E646-T682 PolarHBondContact OE2-OG1 3.39Å; T682-K684 PolarHBondContact O-N 2.72Å; T682-G685 PolarHBondContact O-N 3.41Å; T682-G685 PolarHBondContact OG1-N 3.02Å; T682-K686 WeakPolarHBondContact O-CG 3.43Å; T682-K686 PolarHBondContact O-N 3.36Å | ||
| 683 | E | 85.4 | Confident | 88.3 | Confident | 126 Ų | 126 | 32.2 Ų | 32.2 | 59% | 0.589 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -58.5 | -38.1 | 176.8 | -67.2 | -55 | 123 | 0 | 0 | 112.3 | K686 V687 | E683-K686 IonicContact OE1-NZ 2.77Å; E683-K686 PolarHBondContact OE1-NZ 2.94Å; E683-V687 VanDerWaalsContact O-CG2 3.26Å; E683-V687 WeakPolarHBondContact O-CG2 3.34Å; E683-V687 PolarHBondContact O-N 3.29Å; E683-V687 VanDerWaalsContact O-N 3.07Å |
| 684 | K | 86.6 | Confident | 88.6 | Confident | 119 Ų | 119 | 31.9 Ų | 31.9 | 52% | 0.517 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -62.7 | -46.5 | 172.7 | -73.4 | -173.6 | 171.3 | -171 | 0 | 111.9 | D582 T682 K686 V687 K688 | D582-K684 IonicContact OD2-NZ 2.73Å; D582-K684 PolarHBondContact OD2-NZ 2.97Å; T682-K684 PolarHBondContact O-N 2.72Å; K684-K686 PolarHBondContact O-N 2.94Å; K684-V687 PolarHBondContact O-N 3.07Å; K684-K688 WeakPolarHBondContact O-CG 3.44Å; K684-K688 PolarHBondContact O-N 3.43Å |
| 685 | G | 88.3 | Confident | 88.7 | Confident | 2 Ų | 2 | 32.7 Ų | 32.7 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60 | -45.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A649 T682 K688 A689 | A649-G685 WeakPolarHBondContact CB-O 3.46Å; T682-G685 PolarHBondContact O-N 3.41Å; T682-G685 PolarHBondContact OG1-N 3.02Å; G685-K688 PolarHBondContact O-N 2.9Å; G685-A689 VanDerWaalsContact O-CB 3.31Å; G685-A689 WeakPolarHBondContact O-CB 3.46Å; G685-A689 PolarHBondContact O-N 3.42Å |
| 686 | K | 90.4 | Very high | 88.8 | Confident | 51 Ų | 51 | 32.7 Ų | 32.7 | 22% | 0.222 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.9 | -48.8 | 175.9 | -68.6 | 176.7 | -169.9 | 164.8 | 0 | 111.5 | A678 L679 G681 T682 E683 K684 K688 A689 S690 | A678-K686 WeakPolarHBondContact O-CG 3.44Å; L679-K686 WeakPolarHBondContact O-CE 3.25Å; G681-K686 VanDerWaalsContact O-CE 3.26Å; G681-K686 WeakPolarHBondContact O-CE 3.26Å; T682-K686 WeakPolarHBondContact O-CG 3.43Å; T682-K686 PolarHBondContact O-N 3.36Å; E683-K686 IonicContact OE1-NZ 2.77Å; E683-K686 PolarHBondContact OE1-NZ 2.94Å; K684-K686 PolarHBondContact O-N 2.94Å; K686-K688 PolarHBondContact O-N 3.39Å; K686-A689 PolarHBondContact O-N 3.12Å; K686-S690 VanDerWaalsContact O-CB 3.31Å; K686-S690 WeakPolarHBondContact O-CB 3Å; K686-S690 PolarHBondContact O-N 3.37Å; K686-S690 PolarHBondContact O-OG 3.2Å |
| 687 | V | 90.7 | Very high | 89 | Confident | 17 Ų | 17 | 30.4 Ų | 30.4 | 10% | 0.103 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.3 | -48.2 | 178.6 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | E683 K684 A689 S690 F691 L721 K726 E730 | E683-V687 VanDerWaalsContact O-CG2 3.26Å; E683-V687 WeakPolarHBondContact O-CG2 3.34Å; E683-V687 PolarHBondContact O-N 3.29Å; E683-V687 VanDerWaalsContact O-N 3.07Å; K684-V687 PolarHBondContact O-N 3.07Å; V687-A689 PolarHBondContact O-N 2.97Å; V687-S690 PolarHBondContact O-N 3.47Å; V687-F691 WeakPolarHBondContact O-CB 3.35Å; V687-F691 PolarHBondContact O-N 3.31Å; V687-L721 HydrophobicContact CB-CD2 4.47Å; V687-L721 HydrophobicContact CG1-CD2 3.97Å; V687-K726 HydrophobicContact CG2-CD 4.42Å; V687-E730 WeakPolarHBondContact CG1-OE1 3.49Å; V687-E730 WeakPolarHBondContact CG1-OE2 3.38Å |
| 688 | K | 91.3 | Very high | 89.1 | Confident | 51 Ų | 51 | 30.9 Ų | 30.9 | 22% | 0.222 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.7 | -35.4 | -179.1 | -60.3 | -57.8 | 172.1 | -162.8 | 0 | 112.6 | L653 K684 G685 K686 F691 A692 E730 | L653-K688 HydrophobicContact CD2-CB 4.16Å; L653-K688 HydrophobicContact CD2-CD 3.62Å; L653-K688 HydrophobicContact CD2-CG 4.34Å; K684-K688 WeakPolarHBondContact O-CG 3.44Å; K684-K688 PolarHBondContact O-N 3.43Å; G685-K688 PolarHBondContact O-N 2.9Å; K686-K688 PolarHBondContact O-N 3.39Å; K688-F691 PolarHBondContact O-N 3.23Å; K688-A692 PolarHBondContact O-N 3.49Å; K688-E730 IonicContact NZ-OE1 2.8Å; K688-E730 PolarHBondContact NZ-OE1 3.24Å |
| 689 | A | 92.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.6 | -46 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A649 L674 L677 A678 G685 K686 V687 F691 A692 L693 | A649-A689 HydrophobicContact CB-CB 3.84Å; L674-A689 HydrophobicContact CD2-CB 4.22Å; L677-A689 HydrophobicContact CB-CB 3.81Å; A678-A689 HydrophobicContact CB-CB 4.08Å; G685-A689 VanDerWaalsContact O-CB 3.31Å; G685-A689 WeakPolarHBondContact O-CB 3.46Å; G685-A689 PolarHBondContact O-N 3.42Å; K686-A689 PolarHBondContact O-N 3.12Å; V687-A689 PolarHBondContact O-N 2.97Å; A689-F691 VanDerWaalsContact C-N 3.26Å; A689-F691 PolarHBondContact O-N 2.98Å; A689-A692 PolarHBondContact O-N 2.92Å; A689-L693 WeakPolarHBondContact O-CG 3.21Å; A689-L693 PolarHBondContact O-N 3.41Å |
| 690 | S | 92.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59 | -39 | 174.1 | -63 | 0 | 0 | 0 | 0 | 111.2 | K686 V687 L693 A694 P717 L721 | K686-S690 VanDerWaalsContact O-CB 3.31Å; K686-S690 WeakPolarHBondContact O-CB 3Å; K686-S690 PolarHBondContact O-N 3.37Å; K686-S690 PolarHBondContact O-OG 3.2Å; V687-S690 PolarHBondContact O-N 3.47Å; S690-L693 WeakPolarHBondContact O-CB 3.37Å; S690-L693 PolarHBondContact O-N 3.35Å; S690-A694 WeakPolarHBondContact O-CB 3.44Å; S690-A694 PolarHBondContact O-N 3.34Å; S690-P717 WeakPolarHBondContact OG-CB 3.49Å; S690-L721 VanDerWaalsContact C-CD1 3.49Å |
| 691 | F | 92.9 | Very high | 89.5 | Confident | 21 Ų | 21 | 30.6 Ų | 30.6 | 9% | 0.092 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.8 | -40 | 179.4 | -176.5 | -145 | 0 | 0 | 0 | 111.6 | L653 V687 K688 A689 L693 A694 K695 L721 E730 E733 | L653-F691 HydrophobicContact CD1-CB 4.32Å; L653-F691 HydrophobicContact CD1-CD1 3.28Å; L653-F691 HydrophobicContact CD1-CE1 3.76Å; L653-F691 HydrophobicContact CD1-CG 3.94Å; L653-F691 HydrophobicContact CD2-CD1 3.73Å; L653-F691 HydrophobicContact CD2-CE1 4.31Å; L653-F691 HydrophobicContact CG-CD1 4.14Å; V687-F691 WeakPolarHBondContact O-CB 3.35Å; V687-F691 PolarHBondContact O-N 3.31Å; K688-F691 PolarHBondContact O-N 3.23Å; A689-F691 VanDerWaalsContact C-N 3.26Å; A689-F691 PolarHBondContact O-N 2.98Å; F691-L693 VanDerWaalsContact C-N 3.34Å; F691-L693 PolarHBondContact O-N 3.44Å; F691-A694 WeakPolarHBondContact O-CB 3.44Å; F691-A694 PolarHBondContact O-N 2.92Å; F691-K695 HydrophobicContact CE2-CG 4.35Å; F691-K695 WeakPolarHBondContact O-CG 3.45Å; F691-K695 PolarHBondContact O-N 3.45Å; F691-L721 HydrophobicContact CB-CD1 4.46Å; F691-E730 HydrophobicContact CB-CG 4.47Å; F691-E730 HydrophobicContact CD1-CG 4.13Å; F691-E730 HydrophobicContact CD2-CB 4.25Å; F691-E730 HydrophobicContact CD2-CG 4.05Å; F691-E730 HydrophobicContact CE1-CG 4.35Å; F691-E730 HydrophobicContact CE2-CG 4.27Å; F691-E730 HydrophobicContact CG-CG 3.99Å; F691-E730 HydrophobicContact CZ-CG 4.42Å; F691-E733 HydrophobicContact CD2-CB 4.39Å; F691-E733 HydrophobicContact CE2-CB 4Å; F691-E733 HydrophobicContact CE2-CG 3.94Å |
| 692 | A | 92.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.4 | -40.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F652 L653 L674 K688 A689 K695 I696 | F652-A692 HydrophobicContact CB-CB 4.47Å; L653-A692 HydrophobicContact CB-CB 4.35Å; L653-A692 HydrophobicContact CD1-CB 4.36Å; L674-A692 HydrophobicContact CD1-CB 3.9Å; L674-A692 HydrophobicContact CD2-CB 4.03Å; K688-A692 PolarHBondContact O-N 3.49Å; A689-A692 PolarHBondContact O-N 2.92Å; A692-K695 PolarHBondContact O-N 3.44Å; A692-I696 WeakPolarHBondContact O-CG1 3.22Å; A692-I696 PolarHBondContact O-N 3.19Å |
| 693 | L | 92.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.7 | -44.6 | 173.5 | -76.5 | 171.9 | 0 | 0 | 0 | 112 | L674 I675 A678 A689 S690 F691 K695 I696 A697 F706 P717 | L674-L693 HydrophobicContact CB-CD1 4.26Å; L674-L693 HydrophobicContact CB-CD2 3.41Å; L674-L693 VanDerWaalsContact CB-CD2 3.41Å; L674-L693 HydrophobicContact CB-CG 3.67Å; L674-L693 HydrophobicContact CD1-CD2 4.13Å; L674-L693 HydrophobicContact CD1-CG 4.33Å; L674-L693 HydrophobicContact CG-CD2 4.41Å; I675-L693 HydrophobicContact CG1-CD2 4.42Å; A678-L693 HydrophobicContact CB-CD1 3.57Å; A689-L693 WeakPolarHBondContact O-CG 3.21Å; A689-L693 PolarHBondContact O-N 3.41Å; S690-L693 WeakPolarHBondContact O-CB 3.37Å; S690-L693 PolarHBondContact O-N 3.35Å; F691-L693 VanDerWaalsContact C-N 3.34Å; F691-L693 PolarHBondContact O-N 3.44Å; L693-K695 VanDerWaalsContact C-N 3.35Å; L693-K695 PolarHBondContact O-N 2.83Å; L693-I696 PolarHBondContact O-N 3.01Å; L693-A697 VanDerWaalsContact O-CB 3.3Å; L693-A697 WeakPolarHBondContact O-CB 3.31Å; L693-A697 PolarHBondContact O-N 2.87Å; L693-F706 HydrophobicContact CD2-CE1 3.68Å; L693-F706 HydrophobicContact CD2-CZ 4.01Å; L693-P717 HydrophobicContact CD1-CB 4.47Å |
| 694 | A | 92.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.1 | -46.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | S690 F691 I696 A697 A698 L718 L721 E733 A734 | S690-A694 WeakPolarHBondContact O-CB 3.44Å; S690-A694 PolarHBondContact O-N 3.34Å; F691-A694 WeakPolarHBondContact O-CB 3.44Å; F691-A694 PolarHBondContact O-N 2.92Å; A694-I696 VanDerWaalsContact C-N 3.3Å; A694-I696 PolarHBondContact O-N 3.3Å; A694-A697 PolarHBondContact O-N 3.09Å; A694-A698 WeakPolarHBondContact O-CB 3.32Å; A694-A698 PolarHBondContact O-N 3.18Å; A694-L718 HydrophobicContact CB-CD2 3.56Å; A694-L721 HydrophobicContact CB-CD1 4.28Å; A694-E733 HydrophobicContact CB-CB 4.09Å; A694-A734 HydrophobicContact CB-CB 4.46Å |
| 695 | K | 91.9 | Very high | 89.5 | Confident | 18 Ų | 18 | 28.6 Ų | 28.6 | 8% | 0.078 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.1 | -37.9 | 175.9 | -73.4 | -176.3 | -177.9 | -174.4 | 0 | 113.2 | L653 R662 F691 A692 L693 E733 | L653-K695 HydrophobicContact CD1-CD 4.23Å; R662-K695 WeakPolarHBondContact CD-O 3.43Å; R662-K695 PolarHBondContact NH1-O 3.43Å; F691-K695 HydrophobicContact CE2-CG 4.35Å; F691-K695 WeakPolarHBondContact O-CG 3.45Å; F691-K695 PolarHBondContact O-N 3.45Å; A692-K695 PolarHBondContact O-N 3.44Å; L693-K695 VanDerWaalsContact C-N 3.35Å; L693-K695 PolarHBondContact O-N 2.83Å; K695-E733 HydrophobicContact CG-CB 4.47Å; K695-E733 HydrophobicContact CG-CG 4.17Å |
| 696 | I | 91.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -71.9 | -47.9 | 176.9 | -68.7 | 170.8 | 0 | 0 | 0 | 110.6 | T656 I665 V666 L674 A692 L693 A694 A698 V699 S700 A705 F706 | T656-I696 HydrophobicContact CG2-CD1 3.96Å; T656-I696 HydrophobicContact CG2-CG1 4.03Å; I665-I696 HydrophobicContact CG2-CD1 4.2Å; V666-I696 HydrophobicContact CG2-CG2 3.46Å; V666-I696 VanDerWaalsContact CG2-CG2 3.46Å; L674-I696 HydrophobicContact CD1-CD1 3.68Å; A692-I696 WeakPolarHBondContact O-CG1 3.22Å; A692-I696 PolarHBondContact O-N 3.19Å; L693-I696 PolarHBondContact O-N 3.01Å; A694-I696 VanDerWaalsContact C-N 3.3Å; A694-I696 PolarHBondContact O-N 3.3Å; I696-A698 VanDerWaalsContact C-N 3.28Å; I696-A698 PolarHBondContact O-N 3.28Å; I696-V699 PolarHBondContact O-N 3.45Å; I696-S700 WeakPolarHBondContact O-CB 3.46Å; I696-S700 PolarHBondContact O-N 3.28Å; I696-S700 PolarHBondContact O-OG 2.8Å; I696-S700 VanDerWaalsContact O-OG 3.07Å; I696-A705 HydrophobicContact CG2-CB 4.34Å; I696-F706 HydrophobicContact CG2-CZ 4.21Å |
| 697 | A | 90.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.2 | -30 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L693 A694 V699 F706 L718 N740 M741 | L693-A697 VanDerWaalsContact O-CB 3.3Å; L693-A697 WeakPolarHBondContact O-CB 3.31Å; L693-A697 PolarHBondContact O-N 2.87Å; A694-A697 PolarHBondContact O-N 3.09Å; A697-V699 VanDerWaalsContact C-N 3.27Å; A697-V699 PolarHBondContact O-N 2.74Å; A697-F706 HydrophobicContact CB-CE2 4.17Å; A697-L718 HydrophobicContact CB-CD1 4.46Å; A697-N740 PolarHBondContact O-ND2 3.32Å; A697-M741 HydrophobicContact CB-CE 3.71Å |
| 698 | A | 89.8 | Confident | 88.5 | Confident | 14 Ų | 14 | 32 Ų | 32 | 12% | 0.116 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -21.1 | -180 | 0 | 0 | 0 | 0 | 0 | 114.5 | A694 I696 R736 | A694-A698 WeakPolarHBondContact O-CB 3.32Å; A694-A698 PolarHBondContact O-N 3.18Å; I696-A698 VanDerWaalsContact C-N 3.28Å; I696-A698 PolarHBondContact O-N 3.28Å; A698-R736 HydrophobicContact CB-CB 3.78Å |
| 699 | V | 87.4 | Confident | 88.1 | Confident | 81 Ų | 81 | 37 Ų | 37 | 49% | 0.491 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.9 | -35.9 | -173.9 | -177.4 | 0 | 0 | 0 | 0 | 112.5 | I696 A697 | I696-V699 PolarHBondContact O-N 3.45Å; A697-V699 VanDerWaalsContact C-N 3.27Å; A697-V699 PolarHBondContact O-N 2.74Å |
| 700 | S | 86.8 | Confident | 87.5 | Confident | 18 Ų | 18 | 41.2 Ų | 41.2 | 13% | 0.126 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -85.7 | 149.2 | -172.2 | -50.2 | 0 | 0 | 0 | 0 | 111.4 | I696 P702 N740 | I696-S700 WeakPolarHBondContact O-CB 3.46Å; I696-S700 PolarHBondContact O-N 3.28Å; I696-S700 PolarHBondContact O-OG 2.8Å; I696-S700 VanDerWaalsContact O-OG 3.07Å; S700-P702 WeakPolarHBondContact O-CD 3.29Å; S700-N740 PolarHBondContact O-ND2 2.85Å |
| 701 | N | 87.3 | Confident | 87.2 | Confident | 71 Ų | 71 | 41.9 Ų | 41.9 | 38% | 0.38 | 23% | 0.231 | S | C | . | . | trans | -61.8 | 126 | 171 | -177.1 | -34.3 | 0 | 0 | 0 | 109.7 | E703 I704 A705 | N701-E703 VanDerWaalsContact C-N 3.32Å; N701-E703 PolarHBondContact O-N 3.34Å; N701-E703 PolarHBondContact OD1-N 2.9Å; N701-E703 VanDerWaalsContact OD1-N 3.08Å; N701-I704 HydrophobicContact CB-CB 4.45Å; N701-I704 HydrophobicContact CB-CD1 4.15Å; N701-I704 HydrophobicContact CB-CG1 4.27Å; N701-I704 PolarHBondContact O-N 3.43Å; N701-A705 WeakPolarHBondContact O-CB 3.38Å; N701-A705 PolarHBondContact O-N 3.22Å | ||
| 702 | P | 86.1 | Confident | 86.9 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.013 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -51.2 | -40.8 | -179 | -32.5 | 38.8 | 0 | 0 | 0 | 115.7 | S700 F706 V711 M741 F744 | S700-P702 WeakPolarHBondContact O-CD 3.29Å; P702-F706 PolarHBondContact O-N 3.3Å; P702-V711 HydrophobicContact CB-CG1 4.39Å; P702-M741 HydrophobicContact CB-CE 3.82Å; P702-M741 HydrophobicContact CB-SD 3.54Å; P702-M741 VanDerWaalsContact CB-SD 3.54Å; P702-M741 HydrophobicContact CG-CE 3.81Å; P702-M741 HydrophobicContact CG-SD 3.59Å; P702-M741 VanDerWaalsContact CG-SD 3.59Å; P702-F744 HydrophobicContact CB-CG 4.49Å; P702-F744 HydrophobicContact CG-CB 4.28Å; P702-F744 HydrophobicContact CG-CG 4.35Å |
| 703 | E | 82.9 | Confident | 86.6 | Confident | 122 Ų | 122 | 48.8 Ų | 48.8 | 57% | 0.57 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -68.5 | -36.8 | -178.5 | -80.2 | -174.6 | 166.1 | 0 | 0 | 112.8 | N701 F744 | N701-E703 VanDerWaalsContact C-N 3.32Å; N701-E703 PolarHBondContact O-N 3.34Å; N701-E703 PolarHBondContact OD1-N 2.9Å; N701-E703 VanDerWaalsContact OD1-N 3.08Å; E703-F744 HydrophobicContact CB-CZ 4.38Å; E703-F744 HydrophobicContact CG-CE1 3.47Å; E703-F744 VanDerWaalsContact CG-CE1 3.47Å; E703-F744 HydrophobicContact CG-CE2 4.42Å; E703-F744 HydrophobicContact CG-CZ 3.43Å; E703-F744 VanDerWaalsContact CG-CZ 3.43Å; E703-F744 VanDerWaalsContact OE1-CE1 3.31Å; E703-F744 WeakPolarHBondContact OE1-CE1 3.38Å; E703-F744 VanDerWaalsContact OE1-CZ 3.31Å; E703-F744 WeakPolarHBondContact OE1-CZ 3.35Å |
| 704 | I | 85.1 | Confident | 86.5 | Confident | 128 Ų | 128 | 48.9 Ų | 48.9 | 66% | 0.656 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -76.9 | -41.6 | 179 | -58.3 | 177.7 | 0 | 0 | 0 | 109.7 | V666 N701 | V666-I704 HydrophobicContact CG1-CG2 4.37Å; N701-I704 HydrophobicContact CB-CB 4.45Å; N701-I704 HydrophobicContact CB-CD1 4.15Å; N701-I704 HydrophobicContact CB-CG1 4.27Å; N701-I704 PolarHBondContact O-N 3.43Å |
| 705 | A | 83.8 | Confident | 86.4 | Confident | 4 Ų | 4 | 48.9 Ų | 48.9 | 3% | 0.033 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.6 | -38.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V666 I696 N701 | V666-A705 HydrophobicContact CG1-CB 4.34Å; V666-A705 HydrophobicContact CG2-CB 4.4Å; I696-A705 HydrophobicContact CG2-CB 4.34Å; N701-A705 WeakPolarHBondContact O-CB 3.38Å; N701-A705 PolarHBondContact O-N 3.22Å |
| 706 | F | 85.6 | Confident | 86.3 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -137.2 | 88.7 | -173.5 | -49.2 | -70.2 | 0 | 0 | 0 | 110.1 | I675 L693 I696 A697 P702 V711 V714 M741 | I675-F706 HydrophobicContact CD1-CD1 4.08Å; L693-F706 HydrophobicContact CD2-CE1 3.68Å; L693-F706 HydrophobicContact CD2-CZ 4.01Å; I696-F706 HydrophobicContact CG2-CZ 4.21Å; A697-F706 HydrophobicContact CB-CE2 4.17Å; P702-F706 PolarHBondContact O-N 3.3Å; F706-V711 HydrophobicContact CB-CB 4.47Å; F706-V711 HydrophobicContact CB-CG2 4Å; F706-V711 WeakPolarHBondContact O-CG2 3.36Å; F706-V714 HydrophobicContact CD1-CG2 3.75Å; F706-V714 HydrophobicContact CD2-CG2 4.18Å; F706-V714 HydrophobicContact CE1-CG2 3.91Å; F706-V714 HydrophobicContact CE2-CG1 4.37Å; F706-V714 HydrophobicContact CE2-CG2 4.32Å; F706-V714 HydrophobicContact CG-CG2 3.89Å; F706-V714 HydrophobicContact CZ-CG1 4.32Å; F706-V714 HydrophobicContact CZ-CG2 4.19Å; F706-M741 HydrophobicContact CD2-CE 3.74Å; F706-M741 HydrophobicContact CE2-CE 3.58Å |
| 707 | P | 80.2 | Confident | 86.3 | Confident | 81 Ų | 81 | 55.9 Ų | 55.9 | 53% | 0.526 | 29% | 0.288 | S | S | . | . | trans | -72.9 | 138.5 | -175.2 | 26.4 | -33.7 | 0 | 0 | 0 | 112.9 | ||||
| 708 | G | 82.6 | Confident | 86.3 | Confident | 60 Ų | 60 | 55.9 Ų | 55.9 | 62% | 0.619 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | -141 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | R710 | G708-R710 PolarHBondContact O-N 3.43Š|
| 709 | E | 81.4 | Confident | 86.3 | Confident | 157 Ų | 157 | 55.8 Ų | 55.8 | 73% | 0.734 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -13.5 | -178 | -63.9 | -176.1 | 157.8 | 0 | 0 | 113.8 | V711 Y712 | E709-V711 PolarHBondContact O-N 3.48Å; E709-Y712 HydrophobicContact CB-CD2 4.44Å; E709-Y712 VanDerWaalsContact O-CD2 3.23Å; E709-Y712 WeakPolarHBondContact O-CD2 3.33Å; E709-Y712 PolarHBondContact O-N 3.06Å |
| 710 | R | 80.4 | Confident | 86.5 | Confident | 87 Ų | 87 | 54.2 Ų | 54.2 | 33% | 0.328 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.7 | -22.8 | -177.1 | -68.5 | -176.4 | -179.9 | -126.5 | -6.2 | 113.6 | I675 G708 Y712 E713 | I675-R710 HydrophobicContact CD1-CB 3.87Å; G708-R710 PolarHBondContact O-N 3.43Å; R710-Y712 PolarHBondContact O-N 3.34Å; R710-E713 WeakPolarHBondContact O-CB 3.19Å; R710-E713 PolarHBondContact O-N 2.89Å; R710-E713 VanDerWaalsContact O-N 3.11Å |
| 711 | V | 85.9 | Confident | 86.6 | Confident | 14 Ų | 14 | 53.3 Ų | 53.3 | 9% | 0.085 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56.8 | -36.3 | 175.1 | -166.4 | 0 | 0 | 0 | 0 | 110.7 | P702 F706 E709 E713 V714 M741 L748 | P702-V711 HydrophobicContact CB-CG1 4.39Å; F706-V711 HydrophobicContact CB-CB 4.47Å; F706-V711 HydrophobicContact CB-CG2 4Å; F706-V711 WeakPolarHBondContact O-CG2 3.36Å; E709-V711 PolarHBondContact O-N 3.48Å; V711-E713 VanDerWaalsContact C-N 3.31Å; V711-E713 PolarHBondContact O-N 3.36Å; V711-V714 PolarHBondContact O-N 3.25Å; V711-M741 HydrophobicContact CG1-SD 3.88Å; V711-L748 HydrophobicContact CB-CD2 4.08Å; V711-L748 HydrophobicContact CG1-CD1 3.8Å; V711-L748 HydrophobicContact CG1-CD2 3.51Å; V711-L748 HydrophobicContact CG1-CG 4.3Å |
| 712 | Y | 87.3 | Confident | 86.5 | Confident | 79 Ų | 79 | 50 Ų | 50 | 31% | 0.31 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -70.3 | -28 | -178.8 | -57 | -65.6 | 0 | 0 | 0 | 113 | E709 R710 V714 K747 L748 | E709-Y712 HydrophobicContact CB-CD2 4.44Å; E709-Y712 VanDerWaalsContact O-CD2 3.23Å; E709-Y712 WeakPolarHBondContact O-CD2 3.33Å; E709-Y712 PolarHBondContact O-N 3.06Å; R710-Y712 PolarHBondContact O-N 3.34Å; Y712-V714 VanDerWaalsContact C-N 3.33Å; Y712-K747 HydrophobicContact CE1-CB 3.93Å; Y712-L748 HydrophobicContact CD1-CD2 3.54Å; Y712-L748 HydrophobicContact CE1-CD2 3.62Å; Y712-L748 HydrophobicContact CE1-CG 4.22Å; Y712-L748 HydrophobicContact CG-CD2 4.45Å |
| 713 | E | 87 | Confident | 86.4 | Confident | 88 Ų | 88 | 53.8 Ų | 53.8 | 41% | 0.411 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -72.7 | -27.6 | 179 | -65.2 | 175.2 | -162.7 | 0 | 0 | 112 | I675 R710 V711 I715 P717 | I675-E713 HydrophobicContact CG2-CB 3.92Å; I675-E713 WeakPolarHBondContact CG2-OE2 3.44Å; R710-E713 WeakPolarHBondContact O-CB 3.19Å; R710-E713 PolarHBondContact O-N 2.89Å; R710-E713 VanDerWaalsContact O-N 3.11Å; V711-E713 VanDerWaalsContact C-N 3.31Å; V711-E713 PolarHBondContact O-N 3.36Å; E713-I715 VanDerWaalsContact C-N 3.29Å; E713-I715 PolarHBondContact O-N 2.93Å; E713-P717 WeakPolarHBondContact O-CD 3.34Å |
| 714 | V | 89.5 | Confident | 86 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69.2 | -26.5 | -178.1 | 179.2 | 0 | 0 | 0 | 0 | 112.4 | I675 F706 V711 Y712 R716 P717 L718 | I675-V714 HydrophobicContact CD1-CG2 3.86Å; I675-V714 HydrophobicContact CG1-CG2 3.95Å; F706-V714 HydrophobicContact CD1-CG2 3.75Å; F706-V714 HydrophobicContact CD2-CG2 4.18Å; F706-V714 HydrophobicContact CE1-CG2 3.91Å; F706-V714 HydrophobicContact CE2-CG1 4.37Å; F706-V714 HydrophobicContact CE2-CG2 4.32Å; F706-V714 HydrophobicContact CG-CG2 3.89Å; F706-V714 HydrophobicContact CZ-CG1 4.32Å; F706-V714 HydrophobicContact CZ-CG2 4.19Å; V711-V714 PolarHBondContact O-N 3.25Å; Y712-V714 VanDerWaalsContact C-N 3.33Å; V714-R716 PolarHBondContact O-N 3.26Å; V714-P717 WeakPolarHBondContact O-CD 3.33Å; V714-L718 HydrophobicContact CG1-CD1 3.87Å; V714-L718 HydrophobicContact CG1-CG 4.07Å; V714-L718 WeakPolarHBondContact O-CG 3.41Å; V714-L718 PolarHBondContact O-N 3.09Å |
| 715 | I | 90.6 | Very high | 85.6 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.4 | -46.1 | -176.1 | -67.9 | 168.6 | 0 | 0 | 0 | 111.4 | E713 L718 V719 L748 K751 M752 E755 | E713-I715 VanDerWaalsContact C-N 3.29Å; E713-I715 PolarHBondContact O-N 2.93Å; I715-L718 PolarHBondContact O-N 3.2Å; I715-V719 HydrophobicContact CG2-CG2 4.14Å; I715-V719 WeakPolarHBondContact O-CG2 3.49Å; I715-V719 PolarHBondContact O-N 2.96Å; I715-L748 HydrophobicContact CD1-CB 4.34Å; I715-L748 HydrophobicContact CD1-CD2 3.86Å; I715-K751 HydrophobicContact CD1-CB 3.7Å; I715-K751 HydrophobicContact CD1-CG 3.55Å; I715-M752 HydrophobicContact CD1-CG 4Å; I715-M752 HydrophobicContact CG1-CG 4.22Å; I715-M752 HydrophobicContact CG2-CB 4.36Å; I715-M752 HydrophobicContact CG2-CG 3.73Å; I715-E755 HydrophobicContact CG2-CB 4.41Å; I715-E755 HydrophobicContact CG2-CG 4.2Å |
| 716 | R | 90.1 | Very high | 85.4 | Confident | 162 Ų | 162 | 56.9 Ų | 56.9 | 61% | 0.611 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -62.2 | -47.7 | -176 | 177.6 | 179.3 | -178.1 | -172.1 | 3.4 | 112.7 | V714 L718 V719 S720 | V714-R716 PolarHBondContact O-N 3.26Å; R716-L718 PolarHBondContact O-N 3.39Å; R716-V719 PolarHBondContact O-N 3.49Å; R716-S720 PolarHBondContact O-N 3.25Å |
| 717 | P | 91 | Very high | 85 | Confident | 3 Ų | 3 | 62.4 Ų | 62.4 | 2% | 0.019 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -53.5 | -44.7 | 169.4 | -31.9 | 37.5 | 0 | 0 | 0 | 114.7 | A678 L679 S690 L693 E713 V714 S720 L721 | A678-P717 HydrophobicContact CB-CB 3.89Å; A678-P717 HydrophobicContact CB-CG 3.85Å; L679-P717 HydrophobicContact CD2-CG 3.94Å; L679-P717 HydrophobicContact CG-CG 4.46Å; S690-P717 WeakPolarHBondContact OG-CB 3.49Å; L693-P717 HydrophobicContact CD1-CB 4.47Å; E713-P717 WeakPolarHBondContact O-CD 3.34Å; V714-P717 WeakPolarHBondContact O-CD 3.33Å; P717-S720 PolarHBondContact O-N 3.45Å; P717-S720 PolarHBondContact O-OG 2.86Å; P717-L721 PolarHBondContact O-N 3.44Å |
| 718 | L | 91.4 | Very high | 85.1 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.7 | -40 | -179.5 | -67 | -179 | 0 | 0 | 0 | 112.2 | A694 A697 V714 I715 R716 S720 L721 L738 | A694-L718 HydrophobicContact CB-CD2 3.56Å; A697-L718 HydrophobicContact CB-CD1 4.46Å; V714-L718 HydrophobicContact CG1-CD1 3.87Å; V714-L718 HydrophobicContact CG1-CG 4.07Å; V714-L718 WeakPolarHBondContact O-CG 3.41Å; V714-L718 PolarHBondContact O-N 3.09Å; I715-L718 PolarHBondContact O-N 3.2Å; R716-L718 PolarHBondContact O-N 3.39Å; L718-S720 VanDerWaalsContact C-N 3.32Å; L718-S720 PolarHBondContact O-N 3.3Å; L718-L721 WeakPolarHBondContact O-CB 3.26Å; L718-L721 PolarHBondContact O-N 3.38Å; L718-L738 HydrophobicContact CB-CD1 4.37Å; L718-L738 HydrophobicContact CB-CD2 3.74Å; L718-L738 HydrophobicContact CB-CG 3.97Å; L718-L738 HydrophobicContact CD1-CD2 3.89Å; L718-L738 HydrophobicContact CD1-CG 4.18Å; L718-L738 HydrophobicContact CG-CD2 4.49Å |
| 719 | V | 90.9 | Very high | 85.2 | Confident | 12 Ų | 12 | 60 Ų | 60 | 7% | 0.073 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.9 | -37.7 | 175.7 | 175.5 | 0 | 0 | 0 | 0 | 111.1 | I715 R716 L721 L722 A757 | I715-V719 HydrophobicContact CG2-CG2 4.14Å; I715-V719 WeakPolarHBondContact O-CG2 3.49Å; I715-V719 PolarHBondContact O-N 2.96Å; R716-V719 PolarHBondContact O-N 3.49Å; V719-L721 PolarHBondContact O-N 3.45Å; V719-L721 VanDerWaalsContact O-N 3.17Å; V719-L722 WeakPolarHBondContact O-CB 3.48Å; V719-L722 PolarHBondContact O-N 3.2Å; V719-A757 HydrophobicContact CG1-CB 4.23Å; V719-A757 HydrophobicContact CG2-CB 3.57Å |
| 720 | S | 89.8 | Confident | 85.6 | Confident | 47 Ų | 47 | 52.7 Ų | 52.7 | 33% | 0.329 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.2 | -21.8 | 177.7 | 77 | 0 | 0 | 0 | 0 | 114.1 | R716 P717 L718 L722 H723 | R716-S720 PolarHBondContact O-N 3.25Å; P717-S720 PolarHBondContact O-N 3.45Å; P717-S720 PolarHBondContact O-OG 2.86Å; L718-S720 VanDerWaalsContact C-N 3.32Å; L718-S720 PolarHBondContact O-N 3.3Å; S720-L722 VanDerWaalsContact C-N 3.34Å; S720-H723 PolarHBondContact O-CD2 3.42Å |
| 721 | L | 88.8 | Confident | 86 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -10.9 | 174.3 | -69.6 | 180 | 0 | 0 | 0 | 113.4 | V687 S690 F691 A694 P717 L718 V719 H723 N731 A734 | V687-L721 HydrophobicContact CB-CD2 4.47Å; V687-L721 HydrophobicContact CG1-CD2 3.97Å; S690-L721 VanDerWaalsContact C-CD1 3.49Å; F691-L721 HydrophobicContact CB-CD1 4.46Å; A694-L721 HydrophobicContact CB-CD1 4.28Å; P717-L721 PolarHBondContact O-N 3.44Å; L718-L721 WeakPolarHBondContact O-CB 3.26Å; L718-L721 PolarHBondContact O-N 3.38Å; V719-L721 PolarHBondContact O-N 3.45Å; V719-L721 VanDerWaalsContact O-N 3.17Å; L721-H723 VanDerWaalsContact C-N 3.33Å; L721-N731 PolarHBondContact O-ND2 3.36Å; L721-A734 HydrophobicContact CB-CB 3.84Å; L721-A734 HydrophobicContact CD1-CB 4.14Å |
| 722 | L | 86.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -4.8 | 179.9 | -60.5 | -177.3 | 0 | 0 | 0 | 113.5 | V719 S720 T724 A734 L735 L738 E760 I761 H764 | V719-L722 WeakPolarHBondContact O-CB 3.48Å; V719-L722 PolarHBondContact O-N 3.2Å; S720-L722 VanDerWaalsContact C-N 3.34Å; L722-T724 PolarHBondContact O-N 3.31Å; L722-A734 HydrophobicContact CD2-CB 3.88Å; L722-L735 HydrophobicContact CD1-CD2 4.15Å; L722-L735 HydrophobicContact CD2-CD2 3.66Å; L722-L735 HydrophobicContact CD2-CG 3.65Å; L722-L738 HydrophobicContact CD1-CD1 3.64Å; L722-L738 HydrophobicContact CG-CD1 4.31Å; L722-E760 HydrophobicContact CB-CB 3.84Å; L722-E760 HydrophobicContact CB-CG 4.47Å; L722-E760 HydrophobicContact CD1-CB 4.26Å; L722-I761 HydrophobicContact CD1-CG1 3.84Å; L722-H764 PolarHBondContact O-NE2 2.75Å |
| 723 | H | 84.3 | Confident | 86.5 | Confident | 82 Ų | 82 | 49 Ų | 49 | 38% | 0.38 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -63 | 141.4 | 176 | -68.6 | -53.8 | 0 | 0 | 0 | 110.9 | S720 L721 D725 K726 E760 | S720-H723 PolarHBondContact O-CD2 3.42Å; L721-H723 VanDerWaalsContact C-N 3.33Å; H723-D725 PolarHBondContact O-N 2.65Å; H723-K726 WeakPolarHBondContact O-CB 3.37Å; H723-K726 WeakPolarHBondContact O-CG 3.32Å; H723-K726 PolarHBondContact O-N 3.1Å; H723-K726 VanDerWaalsContact O-N 3.12Å; H723-E760 IonicContact CE1-OE1 2.82Å; H723-E760 PolarHBondContact CE1-OE1 3.31Å; H723-E760 IonicContact ND1-OE1 3.73Å; H723-E760 PolarHBondContact ND1-OE1 3.17Å |
| 724 | T | 73.5 | Confident | 86.8 | Confident | 103 Ų | 103 | 44.9 Ų | 44.9 | 63% | 0.632 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -18.6 | -176.6 | 50.3 | 0 | 0 | 0 | 0 | 114.6 | L722 K726 | L722-T724 PolarHBondContact O-N 3.31Å; T724-K726 PolarHBondContact O-N 2.9Å |
| 725 | D | 76.6 | Confident | 87 | Confident | 148 Ų | 148 | 44.8 Ų | 44.8 | 79% | 0.791 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -1 | 179.5 | -59.5 | -23.6 | 0 | 0 | 0 | 113.5 | H723 | H723-D725 PolarHBondContact O-N 2.65Š|
| 726 | K | 79.1 | Confident | 87.1 | Confident | 68 Ų | 68 | 48.4 Ų | 48.4 | 30% | 0.296 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -101.1 | 163.5 | -174.7 | -57 | -56.2 | -179.3 | -169.6 | 0 | 112.5 | V687 H723 T724 | V687-K726 HydrophobicContact CG2-CD 4.42Å; H723-K726 WeakPolarHBondContact O-CB 3.37Å; H723-K726 WeakPolarHBondContact O-CG 3.32Å; H723-K726 PolarHBondContact O-N 3.1Å; H723-K726 VanDerWaalsContact O-N 3.12Å; T724-K726 PolarHBondContact O-N 2.9Å |
| 727 | E | 78.7 | Confident | 87.2 | Confident | 117 Ų | 117 | 40.7 Ų | 40.7 | 55% | 0.547 | 22% | 0.22 | S | C | . | . | trans | -69.8 | 138.7 | -180 | -68.2 | 174.1 | -159.4 | 0 | 0 | 110.9 | A729 E730 N731 | E727-A729 PolarHBondContact O-N 3.05Å; E727-E730 HydrophobicContact CB-CG 4.13Å; E727-E730 WeakPolarHBondContact O-CA 3.25Å; E727-E730 WeakPolarHBondContact O-CB 3.38Å; E727-E730 PolarHBondContact O-N 2.66Å; E727-N731 PolarHBondContact O-N 3.14Å; E727-N731 VanDerWaalsContact O-N 3.17Å; E727-N731 PolarHBondContact O-OD1 3.15Å | ||
| 728 | G | 80.6 | Confident | 87.3 | Confident | 33 Ų | 33 | 40.5 Ų | 40.5 | 34% | 0.34 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -56.6 | -27.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | N731 Y732 I772 | G728-N731 WeakPolarHBondContact CA-OD1 3.37Å; G728-Y732 WeakPolarHBondContact O-CB 3.46Å; G728-Y732 PolarHBondContact O-N 3.47Å; G728-I772 WeakPolarHBondContact O-CD1 3.41Å |
| 729 | A | 85.6 | Confident | 87.4 | Confident | 58 Ų | 58 | 41.4 Ų | 41.4 | 48% | 0.479 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -69.5 | -35 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E727 E733 | E727-A729 PolarHBondContact O-N 3.05Å; A729-E733 PolarHBondContact O-N 3.47Å |
| 730 | E | 88.8 | Confident | 87.5 | Confident | 4 Ų | 4 | 43.3 Ų | 43.3 | 2% | 0.019 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69.5 | -43.1 | 176 | -61.2 | 179 | 161.5 | 0 | 0 | 109.9 | V687 K688 F691 E727 A734 | V687-E730 WeakPolarHBondContact CG1-OE1 3.49Å; V687-E730 WeakPolarHBondContact CG1-OE2 3.38Å; K688-E730 IonicContact NZ-OE1 2.8Å; K688-E730 PolarHBondContact NZ-OE1 3.24Å; F691-E730 HydrophobicContact CB-CG 4.47Å; F691-E730 HydrophobicContact CD1-CG 4.13Å; F691-E730 HydrophobicContact CD2-CB 4.25Å; F691-E730 HydrophobicContact CD2-CG 4.05Å; F691-E730 HydrophobicContact CE1-CG 4.35Å; F691-E730 HydrophobicContact CE2-CG 4.27Å; F691-E730 HydrophobicContact CG-CG 3.99Å; F691-E730 HydrophobicContact CZ-CG 4.42Å; E727-E730 HydrophobicContact CB-CG 4.13Å; E727-E730 WeakPolarHBondContact O-CA 3.25Å; E727-E730 WeakPolarHBondContact O-CB 3.38Å; E727-E730 PolarHBondContact O-N 2.66Å; E730-A734 VanDerWaalsContact O-CB 3.3Å; E730-A734 WeakPolarHBondContact O-CB 3.26Å; E730-A734 PolarHBondContact O-N 3.23Å; E730-A734 VanDerWaalsContact O-N 3.09Å |
| 731 | N | 90 | Very high | 87.5 | Confident | 5 Ų | 5 | 41.1 Ų | 41.1 | 3% | 0.027 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.1 | -45.9 | 175.8 | -51.9 | 126 | 0 | 0 | 0 | 111.6 | L721 E727 G728 E733 A734 L735 | L721-N731 PolarHBondContact O-ND2 3.36Å; E727-N731 PolarHBondContact O-N 3.14Å; E727-N731 VanDerWaalsContact O-N 3.17Å; E727-N731 PolarHBondContact O-OD1 3.15Å; G728-N731 WeakPolarHBondContact CA-OD1 3.37Å; N731-E733 PolarHBondContact O-N 2.94Å; N731-A734 PolarHBondContact O-N 3.28Å; N731-L735 WeakPolarHBondContact O-CG 3.38Å; N731-L735 PolarHBondContact O-N 3.15Å |
| 732 | Y | 91.8 | Very high | 87.6 | Confident | 71 Ų | 71 | 41.1 Ų | 41.1 | 28% | 0.278 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.8 | -50.1 | -178.2 | 177.9 | -112.3 | 0 | 0 | 0 | 112.9 | G728 A734 L735 R736 K771 I772 A775 | G728-Y732 WeakPolarHBondContact O-CB 3.46Å; G728-Y732 PolarHBondContact O-N 3.47Å; Y732-A734 VanDerWaalsContact C-N 3.33Å; Y732-A734 PolarHBondContact O-N 3.21Å; Y732-L735 PolarHBondContact O-N 3.27Å; Y732-R736 HydrophobicContact CE2-CG 4.33Å; Y732-R736 VanDerWaalsContact CZ-CD 3.46Å; Y732-R736 WeakPolarHBondContact O-CG 3.44Å; Y732-R736 PolarHBondContact O-N 3.35Å; Y732-R736 VanDerWaalsContact O-N 3.12Å; Y732-K771 HydrophobicContact CD2-CB 4.02Å; Y732-K771 WeakPolarHBondContact CD2-O 3.37Å; Y732-K771 HydrophobicContact CE2-CB 3.75Å; Y732-K771 VanDerWaalsContact CE2-O 3.26Å; Y732-K771 WeakPolarHBondContact CE2-O 3.4Å; Y732-I772 HydrophobicContact CD2-CG1 4.45Å; Y732-A775 HydrophobicContact CD2-CB 4.18Å; Y732-A775 HydrophobicContact CE2-CB 4.16Å |
| 733 | E | 92 | Very high | 87.7 | Confident | 27 Ų | 27 | 43.4 Ų | 43.4 | 13% | 0.126 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.3 | -31.8 | 179.7 | -67 | -73.8 | -157.8 | 0 | 0 | 111.8 | F691 A694 K695 A729 N731 R736 G737 | F691-E733 HydrophobicContact CD2-CB 4.39Å; F691-E733 HydrophobicContact CE2-CB 4Å; F691-E733 HydrophobicContact CE2-CG 3.94Å; A694-E733 HydrophobicContact CB-CB 4.09Å; K695-E733 HydrophobicContact CG-CB 4.47Å; K695-E733 HydrophobicContact CG-CG 4.17Å; A729-E733 PolarHBondContact O-N 3.47Å; N731-E733 PolarHBondContact O-N 2.94Å; E733-R736 PolarHBondContact O-N 3.31Å; E733-R736 IonicContact OE1-NH1 3.63Å; E733-R736 IonicContact OE2-CZ 3.66Å; E733-R736 IonicContact OE2-NH1 3.38Å; E733-R736 PolarHBondContact OE2-NH1 3.08Å; E733-G737 PolarHBondContact O-N 3.01Å |
| 734 | A | 93.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.2 | -46.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A694 L721 L722 E730 N731 Y732 R736 G737 L738 | A694-A734 HydrophobicContact CB-CB 4.46Å; L721-A734 HydrophobicContact CB-CB 3.84Å; L721-A734 HydrophobicContact CD1-CB 4.14Å; L722-A734 HydrophobicContact CD2-CB 3.88Å; E730-A734 VanDerWaalsContact O-CB 3.3Å; E730-A734 WeakPolarHBondContact O-CB 3.26Å; E730-A734 PolarHBondContact O-N 3.23Å; E730-A734 VanDerWaalsContact O-N 3.09Å; N731-A734 PolarHBondContact O-N 3.28Å; Y732-A734 VanDerWaalsContact C-N 3.33Å; Y732-A734 PolarHBondContact O-N 3.21Å; A734-R736 PolarHBondContact O-N 2.95Å; A734-G737 PolarHBondContact O-N 3.48Å; A734-L738 WeakPolarHBondContact O-CG 3.45Å; A734-L738 PolarHBondContact O-N 3.49Å |
| 735 | L | 93.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.9 | -41.5 | 176.2 | -71.8 | 169.5 | 0 | 0 | 0 | 112.1 | L722 N731 Y732 L738 T739 I761 H764 I772 A775 A776 | L722-L735 HydrophobicContact CD1-CD2 4.15Å; L722-L735 HydrophobicContact CD2-CD2 3.66Å; L722-L735 HydrophobicContact CD2-CG 3.65Å; N731-L735 WeakPolarHBondContact O-CG 3.38Å; N731-L735 PolarHBondContact O-N 3.15Å; Y732-L735 PolarHBondContact O-N 3.27Å; L735-L738 PolarHBondContact O-N 3.12Å; L735-T739 WeakPolarHBondContact O-CB 3.28Å; L735-T739 PolarHBondContact O-N 3.04Å; L735-T739 PolarHBondContact O-OG1 2.95Å; L735-I761 HydrophobicContact CD2-CG1 4.07Å; L735-H764 HydrophobicContact CD1-CB 4.11Å; L735-I772 HydrophobicContact CD1-CG2 3.69Å; L735-A775 HydrophobicContact CB-CB 3.77Å; L735-A775 HydrophobicContact CD1-CB 4.32Å; L735-A776 HydrophobicContact CD1-CB 4.06Å; L735-A776 HydrophobicContact CD2-CB 4.39Å |
| 736 | R | 93.3 | Very high | 88.9 | Confident | 76 Ų | 76 | 38.7 Ų | 38.7 | 29% | 0.287 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.6 | -42.1 | 175 | -70.8 | -177.9 | 68 | -139.4 | 3.3 | 112.4 | A698 Y732 E733 A734 T739 N740 A775 | A698-R736 HydrophobicContact CB-CB 3.78Å; Y732-R736 HydrophobicContact CE2-CG 4.33Å; Y732-R736 VanDerWaalsContact CZ-CD 3.46Å; Y732-R736 WeakPolarHBondContact O-CG 3.44Å; Y732-R736 PolarHBondContact O-N 3.35Å; Y732-R736 VanDerWaalsContact O-N 3.12Å; E733-R736 PolarHBondContact O-N 3.31Å; E733-R736 IonicContact OE1-NH1 3.63Å; E733-R736 IonicContact OE2-CZ 3.66Å; E733-R736 IonicContact OE2-NH1 3.38Å; E733-R736 PolarHBondContact OE2-NH1 3.08Å; A734-R736 PolarHBondContact O-N 2.95Å; R736-T739 PolarHBondContact O-N 3.42Å; R736-N740 PolarHBondContact O-N 2.83Å; R736-N740 VanDerWaalsContact O-N 3.11Å; R736-A775 HydrophobicContact CG-CB 4.21Å |
| 737 | G | 92 | Very high | 89.3 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.3 | -48.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E733 A734 T739 N740 M741 | E733-G737 PolarHBondContact O-N 3.01Å; A734-G737 PolarHBondContact O-N 3.48Å; G737-T739 VanDerWaalsContact C-N 3.35Å; G737-T739 PolarHBondContact O-N 3.35Å; G737-N740 PolarHBondContact O-N 3.44Å; G737-M741 WeakPolarHBondContact O-CG 3.46Å; G737-M741 PolarHBondContact O-N 3.38Å |
| 738 | L | 93.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65 | -36.9 | 177.8 | -69.7 | 171.1 | 0 | 0 | 0 | 112.5 | L718 L722 A734 L735 M741 A742 M752 | L718-L738 HydrophobicContact CB-CD1 4.37Å; L718-L738 HydrophobicContact CB-CD2 3.74Å; L718-L738 HydrophobicContact CB-CG 3.97Å; L718-L738 HydrophobicContact CD1-CD2 3.89Å; L718-L738 HydrophobicContact CD1-CG 4.18Å; L718-L738 HydrophobicContact CG-CD2 4.49Å; L722-L738 HydrophobicContact CD1-CD1 3.64Å; L722-L738 HydrophobicContact CG-CD1 4.31Å; A734-L738 WeakPolarHBondContact O-CG 3.45Å; A734-L738 PolarHBondContact O-N 3.49Å; L735-L738 PolarHBondContact O-N 3.12Å; L738-M741 PolarHBondContact O-N 3.39Å; L738-A742 VanDerWaalsContact O-CB 3.28Å; L738-A742 WeakPolarHBondContact O-CB 3.4Å; L738-A742 PolarHBondContact O-N 3.04Å; L738-M752 HydrophobicContact CB-CE 3.86Å; L738-M752 HydrophobicContact CD2-CE 3.92Å; L738-M752 HydrophobicContact CD2-SD 4.39Å; L738-M752 HydrophobicContact CG-CE 4.33Å |
| 739 | T | 93.1 | Very high | 90.2 | Very high | 18 Ų | 18 | 37 Ų | 37 | 11% | 0.11 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.1 | -48.3 | 175.3 | -59.4 | 0 | 0 | 0 | 0 | 111.1 | L735 R736 G737 A742 G743 A775 E778 C779 N782 | L735-T739 WeakPolarHBondContact O-CB 3.28Å; L735-T739 PolarHBondContact O-N 3.04Å; L735-T739 PolarHBondContact O-OG1 2.95Å; R736-T739 PolarHBondContact O-N 3.42Å; G737-T739 VanDerWaalsContact C-N 3.35Å; G737-T739 PolarHBondContact O-N 3.35Å; T739-A742 PolarHBondContact O-N 3.15Å; T739-G743 PolarHBondContact O-N 2.83Å; T739-G743 VanDerWaalsContact O-N 3.15Å; T739-A775 PolarHBondContact OG1-O 3.11Å; T739-E778 HydrophobicContact CG2-CB 3.89Å; T739-C779 WeakPolarHBondContact OG1-CA 3.24Å; T739-C779 VanDerWaalsContact OG1-CB 3.24Å; T739-C779 WeakPolarHBondContact OG1-CB 3.33Å; T739-C779 PolarHBondContact OG1-N 3.4Å; T739-N782 PolarHBondContact O-ND2 3.15Å |
| 740 | N | 92.6 | Very high | 90.3 | Very high | 53 Ų | 53 | 36 Ų | 36 | 28% | 0.283 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.5 | -41.5 | 178 | -171.3 | 29.7 | 0 | 0 | 0 | 111.6 | A697 S700 R736 G737 G743 | A697-N740 PolarHBondContact O-ND2 3.32Å; S700-N740 PolarHBondContact O-ND2 2.85Å; R736-N740 PolarHBondContact O-N 2.83Å; R736-N740 VanDerWaalsContact O-N 3.11Å; G737-N740 PolarHBondContact O-N 3.44Å; N740-G743 PolarHBondContact O-N 2.72Å |
| 741 | M | 89.9 | Confident | 90.3 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.1 | -41.4 | 177.3 | -65.5 | -71 | 163 | 0 | 0 | 112.6 | A697 P702 F706 V711 G737 L738 G743 F744 L748 | A697-M741 HydrophobicContact CB-CE 3.71Å; P702-M741 HydrophobicContact CB-CE 3.82Å; P702-M741 HydrophobicContact CB-SD 3.54Å; P702-M741 VanDerWaalsContact CB-SD 3.54Å; P702-M741 HydrophobicContact CG-CE 3.81Å; P702-M741 HydrophobicContact CG-SD 3.59Å; P702-M741 VanDerWaalsContact CG-SD 3.59Å; F706-M741 HydrophobicContact CD2-CE 3.74Å; F706-M741 HydrophobicContact CE2-CE 3.58Å; V711-M741 HydrophobicContact CG1-SD 3.88Å; G737-M741 WeakPolarHBondContact O-CG 3.46Å; G737-M741 PolarHBondContact O-N 3.38Å; L738-M741 PolarHBondContact O-N 3.39Å; M741-G743 VanDerWaalsContact C-N 3.29Å; M741-G743 PolarHBondContact O-N 3.47Å; M741-F744 PolarHBondContact O-N 2.94Å; M741-L748 HydrophobicContact SD-CD1 4.5Å |
| 742 | A | 90.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.8 | -32.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L738 T739 F744 R749 M752 N782 L783 | L738-A742 VanDerWaalsContact O-CB 3.28Å; L738-A742 WeakPolarHBondContact O-CB 3.4Å; L738-A742 PolarHBondContact O-N 3.04Å; T739-A742 PolarHBondContact O-N 3.15Å; A742-F744 VanDerWaalsContact C-N 3.27Å; A742-F744 PolarHBondContact O-N 2.71Å; A742-R749 HydrophobicContact CB-CG 4.21Å; A742-R749 WeakPolarHBondContact O-CD 3.43Å; A742-R749 WeakPolarHBondContact O-CG 3.3Å; A742-R749 PolarHBondContact O-NH1 3.05Å; A742-M752 HydrophobicContact CB-CE 4.32Å; A742-M752 HydrophobicContact CB-SD 4.05Å; A742-N782 HydrophobicContact CB-CB 3.73Å; A742-L783 HydrophobicContact CB-CD2 4.1Å; A742-L783 HydrophobicContact CB-CG 4.23Å |
| 743 | G | 88.8 | Confident | 90.2 | Very high | 47 Ų | 47 | 36 Ų | 36 | 49% | 0.485 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -69.8 | -20 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | T739 N740 M741 | T739-G743 PolarHBondContact O-N 2.83Å; T739-G743 VanDerWaalsContact O-N 3.15Å; N740-G743 PolarHBondContact O-N 2.72Å; M741-G743 VanDerWaalsContact C-N 3.29Å; M741-G743 PolarHBondContact O-N 3.47Å |
| 744 | F | 86.8 | Confident | 90 | Very high | 87 Ų | 87 | 41.7 Ų | 41.7 | 38% | 0.382 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -87.9 | -49.3 | -169.4 | -167 | -95.3 | 0 | 0 | 0 | 114.5 | P702 E703 M741 A742 L748 | P702-F744 HydrophobicContact CB-CG 4.49Å; P702-F744 HydrophobicContact CG-CB 4.28Å; P702-F744 HydrophobicContact CG-CG 4.35Å; E703-F744 HydrophobicContact CB-CZ 4.38Å; E703-F744 HydrophobicContact CG-CE1 3.47Å; E703-F744 VanDerWaalsContact CG-CE1 3.47Å; E703-F744 HydrophobicContact CG-CE2 4.42Å; E703-F744 HydrophobicContact CG-CZ 3.43Å; E703-F744 VanDerWaalsContact CG-CZ 3.43Å; E703-F744 VanDerWaalsContact OE1-CE1 3.31Å; E703-F744 WeakPolarHBondContact OE1-CE1 3.38Å; E703-F744 VanDerWaalsContact OE1-CZ 3.31Å; E703-F744 WeakPolarHBondContact OE1-CZ 3.35Å; M741-F744 PolarHBondContact O-N 2.94Å; A742-F744 VanDerWaalsContact C-N 3.27Å; A742-F744 PolarHBondContact O-N 2.71Å; F744-L748 HydrophobicContact CB-CD1 4.47Å |
| 745 | S | 85.9 | Confident | 89.7 | Confident | 34 Ų | 34 | 44.2 Ų | 44.2 | 24% | 0.238 | 22% | 0.218 | C | C | . | . | trans | -145.5 | 140 | -171.8 | 178.4 | 0 | 0 | 0 | 0 | 113.3 | K747 L748 R749 | S745-K747 VanDerWaalsContact C-N 3.3Å; S745-K747 PolarHBondContact O-N 3.17Å; S745-K747 PolarHBondContact OG-N 3.41Å; S745-L748 WeakPolarHBondContact O-CB 3.3Å; S745-L748 PolarHBondContact O-N 2.84Å; S745-R749 PolarHBondContact O-N 3.25Å | ||
| 746 | E | 86.9 | Confident | 89.4 | Confident | 113 Ų | 113 | 52.3 Ų | 52.3 | 53% | 0.528 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.2 | -37.6 | 175.8 | -171.3 | 179.5 | 179.5 | 0 | 0 | 112.5 | L748 R749 V750 | E746-L748 VanDerWaalsContact C-N 3.26Å; E746-L748 PolarHBondContact O-N 3.12Å; E746-R749 WeakPolarHBondContact O-CB 3.36Å; E746-R749 PolarHBondContact O-N 2.82Å; E746-R749 VanDerWaalsContact O-N 3.16Å; E746-V750 PolarHBondContact O-N 2.92Å |
| 747 | K | 87.1 | Confident | 89.1 | Confident | 146 Ų | 146 | 48.7 Ų | 48.7 | 64% | 0.635 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -61.9 | -34.9 | 178 | -65.8 | -177.9 | 179.4 | 178.7 | 0 | 112.1 | Y712 S745 K751 | Y712-K747 HydrophobicContact CE1-CB 3.93Å; S745-K747 VanDerWaalsContact C-N 3.3Å; S745-K747 PolarHBondContact O-N 3.17Å; S745-K747 PolarHBondContact OG-N 3.41Å; K747-K751 PolarHBondContact O-N 2.97Å; K747-K751 VanDerWaalsContact O-N 3.1Å |
| 748 | L | 88.1 | Confident | 88.9 | Confident | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.7 | -42.2 | 176.3 | -66.8 | 172.1 | 0 | 0 | 0 | 110.9 | V711 Y712 I715 M741 F744 S745 E746 V750 K751 M752 | V711-L748 HydrophobicContact CB-CD2 4.08Å; V711-L748 HydrophobicContact CG1-CD1 3.8Å; V711-L748 HydrophobicContact CG1-CD2 3.51Å; V711-L748 HydrophobicContact CG1-CG 4.3Å; Y712-L748 HydrophobicContact CD1-CD2 3.54Å; Y712-L748 HydrophobicContact CE1-CD2 3.62Å; Y712-L748 HydrophobicContact CE1-CG 4.22Å; Y712-L748 HydrophobicContact CG-CD2 4.45Å; I715-L748 HydrophobicContact CD1-CB 4.34Å; I715-L748 HydrophobicContact CD1-CD2 3.86Å; M741-L748 HydrophobicContact SD-CD1 4.5Å; F744-L748 HydrophobicContact CB-CD1 4.47Å; S745-L748 WeakPolarHBondContact O-CB 3.3Å; S745-L748 PolarHBondContact O-N 2.84Å; E746-L748 VanDerWaalsContact C-N 3.26Å; E746-L748 PolarHBondContact O-N 3.12Å; L748-V750 PolarHBondContact O-N 3.31Å; L748-K751 WeakPolarHBondContact O-CB 3.45Å; L748-K751 PolarHBondContact O-N 3.02Å; L748-K751 VanDerWaalsContact O-N 3.15Å; L748-M752 WeakPolarHBondContact O-CG 3.39Å; L748-M752 PolarHBondContact O-N 3.02Å |
| 749 | R | 89.8 | Confident | 88.6 | Confident | 33 Ų | 33 | 51.5 Ų | 51.5 | 13% | 0.125 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59 | -47.5 | 175.2 | -64.5 | -170 | -70.1 | -93.6 | 9.9 | 111.7 | A742 S745 E746 K751 M752 V753 N782 L783 T785 C786 | A742-R749 HydrophobicContact CB-CG 4.21Å; A742-R749 WeakPolarHBondContact O-CD 3.43Å; A742-R749 WeakPolarHBondContact O-CG 3.3Å; A742-R749 PolarHBondContact O-NH1 3.05Å; S745-R749 PolarHBondContact O-N 3.25Å; E746-R749 WeakPolarHBondContact O-CB 3.36Å; E746-R749 PolarHBondContact O-N 2.82Å; E746-R749 VanDerWaalsContact O-N 3.16Å; R749-K751 VanDerWaalsContact C-N 3.27Å; R749-K751 PolarHBondContact O-N 3.43Å; R749-M752 WeakPolarHBondContact O-CB 3.48Å; R749-M752 PolarHBondContact O-N 3.13Å; R749-M752 VanDerWaalsContact O-N 3.13Å; R749-V753 WeakPolarHBondContact O-CG2 3.37Å; R749-V753 PolarHBondContact O-N 3.42Å; R749-N782 VanDerWaalsContact CD-O 3.3Å; R749-N782 WeakPolarHBondContact CD-O 3.42Å; R749-L783 HydrophobicContact CB-CD2 4.15Å; R749-L783 HydrophobicContact CG-CD2 4.06Å; R749-T785 WeakPolarHBondContact CD-OG1 3.47Å; R749-T785 PolarHBondContact NE-OG1 3.16Å; R749-T785 PolarHBondContact NH2-OG1 3.35Å; R749-C786 HydrophobicContact CB-CB 4.42Å |
| 750 | V | 89.1 | Confident | 88.3 | Confident | 37 Ų | 37 | 52.3 Ų | 52.3 | 22% | 0.224 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59 | -40 | 176 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | E746 L748 V753 K754 | E746-V750 PolarHBondContact O-N 2.92Å; L748-V750 PolarHBondContact O-N 3.31Å; V750-V753 PolarHBondContact O-N 3.38Å; V750-K754 HydrophobicContact CG1-CD 4.36Å; V750-K754 WeakPolarHBondContact O-CG 3.43Å; V750-K754 PolarHBondContact O-N 3.34Å |
| 751 | K | 89.1 | Confident | 88.2 | Confident | 65 Ų | 65 | 49.8 Ų | 49.8 | 28% | 0.283 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.5 | -40.6 | 176.2 | -177.9 | 58.2 | 168.3 | 168.4 | 0 | 112.2 | I715 K747 L748 R749 V753 K754 E755 | I715-K751 HydrophobicContact CD1-CB 3.7Å; I715-K751 HydrophobicContact CD1-CG 3.55Å; K747-K751 PolarHBondContact O-N 2.97Å; K747-K751 VanDerWaalsContact O-N 3.1Å; L748-K751 WeakPolarHBondContact O-CB 3.45Å; L748-K751 PolarHBondContact O-N 3.02Å; L748-K751 VanDerWaalsContact O-N 3.15Å; R749-K751 VanDerWaalsContact C-N 3.27Å; R749-K751 PolarHBondContact O-N 3.43Å; K751-V753 VanDerWaalsContact C-N 3.31Å; K751-V753 PolarHBondContact O-N 2.93Å; K751-K754 PolarHBondContact O-N 3.02Å; K751-E755 HydrophobicContact CD-CG 4.27Å; K751-E755 WeakPolarHBondContact CE-OE1 3.33Å; K751-E755 IonicContact NZ-OE1 3.26Å; K751-E755 PolarHBondContact NZ-OE1 3.06Å; K751-E755 WeakPolarHBondContact O-CG 3.44Å; K751-E755 PolarHBondContact O-N 3.25Å |
| 752 | M | 90.2 | Very high | 88.1 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60 | -40.2 | 174.5 | -68.3 | 170.5 | 63.5 | 0 | 0 | 112.1 | I715 L738 A742 L748 R749 E755 A757 I761 L783 | I715-M752 HydrophobicContact CD1-CG 4Å; I715-M752 HydrophobicContact CG1-CG 4.22Å; I715-M752 HydrophobicContact CG2-CB 4.36Å; I715-M752 HydrophobicContact CG2-CG 3.73Å; L738-M752 HydrophobicContact CB-CE 3.86Å; L738-M752 HydrophobicContact CD2-CE 3.92Å; L738-M752 HydrophobicContact CD2-SD 4.39Å; L738-M752 HydrophobicContact CG-CE 4.33Å; A742-M752 HydrophobicContact CB-CE 4.32Å; A742-M752 HydrophobicContact CB-SD 4.05Å; L748-M752 WeakPolarHBondContact O-CG 3.39Å; L748-M752 PolarHBondContact O-N 3.02Å; R749-M752 WeakPolarHBondContact O-CB 3.48Å; R749-M752 PolarHBondContact O-N 3.13Å; R749-M752 VanDerWaalsContact O-N 3.13Å; M752-E755 PolarHBondContact O-N 3.32Å; M752-A757 HydrophobicContact CB-CB 4.38Å; M752-A757 WeakPolarHBondContact O-CB 3.4Å; M752-A757 PolarHBondContact O-N 3.18Å; M752-I761 HydrophobicContact CE-CD1 4.42Å; M752-L783 HydrophobicContact CB-CD2 4.45Å; M752-L783 HydrophobicContact CE-CD1 3.94Å; M752-L783 HydrophobicContact CE-CD2 3.78Å; M752-L783 HydrophobicContact CE-CG 4.23Å; M752-L783 HydrophobicContact SD-CD2 4.02Å |
| 753 | V | 88.8 | Confident | 88 | Confident | 14 Ų | 14 | 55.4 Ų | 55.4 | 9% | 0.085 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.9 | -43.6 | 176 | -179.3 | 0 | 0 | 0 | 0 | 111.1 | R749 V750 K751 E755 K756 L758 E788 V789 | R749-V753 WeakPolarHBondContact O-CG2 3.37Å; R749-V753 PolarHBondContact O-N 3.42Å; V750-V753 PolarHBondContact O-N 3.38Å; K751-V753 VanDerWaalsContact C-N 3.31Å; K751-V753 PolarHBondContact O-N 2.93Å; V753-E755 VanDerWaalsContact C-N 3.3Å; V753-E755 PolarHBondContact O-N 3.3Å; V753-K756 PolarHBondContact O-N 3.01Å; V753-L758 HydrophobicContact CG1-CD1 4.04Å; V753-L758 HydrophobicContact CG2-CD1 4.1Å; V753-L758 HydrophobicContact CG2-CG 4.42Å; V753-E788 HydrophobicContact CG1-CB 4.38Å; V753-E788 WeakPolarHBondContact CG1-OE2 3.46Å; V753-V789 HydrophobicContact CG2-CG2 3.94Å |
| 754 | K | 87.9 | Confident | 87.9 | Confident | 146 Ų | 146 | 53.4 Ų | 53.4 | 64% | 0.635 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -61 | -35.6 | 176.4 | -73.8 | -180 | 179.6 | -175.9 | 0 | 113.4 | V750 K751 K756 | V750-K754 HydrophobicContact CG1-CD 4.36Å; V750-K754 WeakPolarHBondContact O-CG 3.43Å; V750-K754 PolarHBondContact O-N 3.34Å; K751-K754 PolarHBondContact O-N 3.02Å; K754-K756 PolarHBondContact O-N 3.37Å |
| 755 | E | 86.4 | Confident | 87.9 | Confident | 54 Ų | 54 | 49.6 Ų | 49.6 | 25% | 0.252 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 10.1 | 176.3 | -63.7 | -64.6 | 148.1 | 0 | 0 | 113.5 | I715 K751 M752 V753 A757 | I715-E755 HydrophobicContact CG2-CB 4.41Å; I715-E755 HydrophobicContact CG2-CG 4.2Å; K751-E755 HydrophobicContact CD-CG 4.27Å; K751-E755 WeakPolarHBondContact CE-OE1 3.33Å; K751-E755 IonicContact NZ-OE1 3.26Å; K751-E755 PolarHBondContact NZ-OE1 3.06Å; K751-E755 WeakPolarHBondContact O-CG 3.44Å; K751-E755 PolarHBondContact O-N 3.25Å; M752-E755 PolarHBondContact O-N 3.32Å; V753-E755 VanDerWaalsContact C-N 3.3Å; V753-E755 PolarHBondContact O-N 3.3Å; E755-A757 VanDerWaalsContact C-N 3.32Å; E755-A757 PolarHBondContact O-N 3.11Å |
| 756 | K | 87.3 | Confident | 87.8 | Confident | 170 Ų | 170 | 54.5 Ų | 54.5 | 74% | 0.739 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 38 | 179.2 | -57.7 | -179.2 | 177.8 | 179.1 | 0 | 114 | V753 K754 L758 P759 | V753-K756 PolarHBondContact O-N 3.01Å; K754-K756 PolarHBondContact O-N 3.37Å; K756-L758 VanDerWaalsContact C-N 3.33Å; K756-L758 PolarHBondContact O-N 3.17Å; K756-P759 VanDerWaalsContact O-CD 3.3Å; K756-P759 WeakPolarHBondContact O-CD 3.37Å |
| 757 | A | 87.1 | Confident | 87.5 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.2 | -27.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | V719 M752 E755 E760 I761 | V719-A757 HydrophobicContact CG1-CB 4.23Å; V719-A757 HydrophobicContact CG2-CB 3.57Å; M752-A757 HydrophobicContact CB-CB 4.38Å; M752-A757 WeakPolarHBondContact O-CB 3.4Å; M752-A757 PolarHBondContact O-N 3.18Å; E755-A757 VanDerWaalsContact C-N 3.32Å; E755-A757 PolarHBondContact O-N 3.11Å; A757-E760 PolarHBondContact O-N 3.21Å; A757-I761 HydrophobicContact CB-CD1 4.09Å; A757-I761 WeakPolarHBondContact O-CG1 3.44Å; A757-I761 PolarHBondContact O-N 2.9Å; A757-I761 VanDerWaalsContact O-N 3.14Å |
| 758 | L | 87.2 | Confident | 87.2 | Confident | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59 | -48.1 | -170.3 | -64.3 | 172.9 | 0 | 0 | 0 | 114.6 | V753 K756 E760 I761 E762 M780 L783 V789 | V753-L758 HydrophobicContact CG1-CD1 4.04Å; V753-L758 HydrophobicContact CG2-CD1 4.1Å; V753-L758 HydrophobicContact CG2-CG 4.42Å; K756-L758 VanDerWaalsContact C-N 3.33Å; K756-L758 PolarHBondContact O-N 3.17Å; L758-E760 VanDerWaalsContact C-N 3.28Å; L758-E760 PolarHBondContact O-N 3.16Å; L758-I761 PolarHBondContact O-N 3.11Å; L758-E762 WeakPolarHBondContact O-CB 3.03Å; L758-E762 VanDerWaalsContact O-CG 3.24Å; L758-E762 WeakPolarHBondContact O-CG 3.47Å; L758-E762 PolarHBondContact O-N 3.31Å; L758-M780 HydrophobicContact CD2-CE 4.39Å; L758-L783 HydrophobicContact CD2-CD1 3.97Å; L758-V789 HydrophobicContact CD1-CG2 4.09Å; L758-V789 HydrophobicContact CD2-CG2 4.03Å |
| 759 | P | 88.1 | Confident | 87 | Confident | 55 Ų | 55 | 57.3 Ų | 57.3 | 36% | 0.357 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.2 | -36.9 | -178.7 | -22.3 | 35.4 | 0 | 0 | 0 | 112.9 | K756 E762 N763 | K756-P759 VanDerWaalsContact O-CD 3.3Å; K756-P759 WeakPolarHBondContact O-CD 3.37Å; P759-E762 PolarHBondContact O-N 3.27Å; P759-N763 PolarHBondContact O-N 2.91Å; P759-N763 PolarHBondContact O-ND2 2.93Å; P759-N763 PolarHBondContact O-OD1 3.49Å |
| 760 | E | 87.6 | Confident | 86.9 | Confident | 36 Ų | 36 | 61.8 Ų | 61.8 | 17% | 0.168 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -71.2 | -41.9 | 179.2 | -57.7 | -66.8 | -175.1 | 0 | 0 | 111.4 | L722 H723 A757 L758 E762 N763 H764 | L722-E760 HydrophobicContact CB-CB 3.84Å; L722-E760 HydrophobicContact CB-CG 4.47Å; L722-E760 HydrophobicContact CD1-CB 4.26Å; H723-E760 IonicContact CE1-OE1 2.82Å; H723-E760 PolarHBondContact CE1-OE1 3.31Å; H723-E760 IonicContact ND1-OE1 3.73Å; H723-E760 PolarHBondContact ND1-OE1 3.17Å; A757-E760 PolarHBondContact O-N 3.21Å; L758-E760 VanDerWaalsContact C-N 3.28Å; L758-E760 PolarHBondContact O-N 3.16Å; E760-E762 VanDerWaalsContact C-N 3.3Å; E760-E762 PolarHBondContact O-N 3.23Å; E760-N763 WeakPolarHBondContact O-CB 3.47Å; E760-N763 PolarHBondContact O-N 3.36Å; E760-H764 PolarHBondContact O-CD2 2.98Å; E760-H764 PolarHBondContact O-N 3.41Å; E760-H764 VanDerWaalsContact O-N 3.1Å |
| 761 | I | 89.8 | Confident | 86.8 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.8 | -40.6 | 174.4 | -62 | 165.6 | 0 | 0 | 0 | 110.3 | L722 L735 M752 A757 L758 H764 M765 A776 C779 M780 L783 | L722-I761 HydrophobicContact CD1-CG1 3.84Å; L735-I761 HydrophobicContact CD2-CG1 4.07Å; M752-I761 HydrophobicContact CE-CD1 4.42Å; A757-I761 HydrophobicContact CB-CD1 4.09Å; A757-I761 WeakPolarHBondContact O-CG1 3.44Å; A757-I761 PolarHBondContact O-N 2.9Å; A757-I761 VanDerWaalsContact O-N 3.14Å; L758-I761 PolarHBondContact O-N 3.11Å; I761-H764 PolarHBondContact O-N 3.49Å; I761-M765 WeakPolarHBondContact O-CG 3.25Å; I761-M765 PolarHBondContact O-N 2.83Å; I761-A776 HydrophobicContact CG2-CB 4.35Å; I761-C779 HydrophobicContact CG2-CB 4.35Å; I761-M780 HydrophobicContact CB-CE 4.47Å; I761-M780 HydrophobicContact CG2-CE 4.02Å; I761-L783 HydrophobicContact CD1-CD1 3.75Å |
| 762 | E | 87.3 | Confident | 86.8 | Confident | 34 Ų | 34 | 63.6 Ų | 63.6 | 16% | 0.159 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.4 | -43.8 | 175 | -74.1 | 171.3 | -172.6 | 0 | 0 | 111.2 | L758 P759 E760 H764 M765 F766 M780 K800 | L758-E762 WeakPolarHBondContact O-CB 3.03Å; L758-E762 VanDerWaalsContact O-CG 3.24Å; L758-E762 WeakPolarHBondContact O-CG 3.47Å; L758-E762 PolarHBondContact O-N 3.31Å; P759-E762 PolarHBondContact O-N 3.27Å; E760-E762 VanDerWaalsContact C-N 3.3Å; E760-E762 PolarHBondContact O-N 3.23Å; E762-H764 VanDerWaalsContact C-N 3.35Å; E762-H764 PolarHBondContact O-N 3.12Å; E762-M765 WeakPolarHBondContact O-CB 3.28Å; E762-M765 PolarHBondContact O-N 3.05Å; E762-M765 VanDerWaalsContact O-N 3.15Å; E762-F766 WeakPolarHBondContact O-CD2 3.33Å; E762-F766 WeakPolarHBondContact O-CE2 3.42Å; E762-M780 HydrophobicContact CG-CE 3.78Å; E762-K800 IonicContact OE1-NZ 3.39Å; E762-K800 PolarHBondContact OE1-NZ 3.35Å; E762-K800 WeakPolarHBondContact OE2-CE 3.37Å; E762-K800 IonicContact OE2-NZ 2.82Å; E762-K800 PolarHBondContact OE2-NZ 3.29Å |
| 763 | N | 88.1 | Confident | 86.8 | Confident | 84 Ų | 84 | 65.7 Ų | 65.7 | 45% | 0.449 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 176.5 | -70 | -21.8 | 0 | 0 | 0 | 112.1 | P759 E760 M765 F766 | P759-N763 PolarHBondContact O-N 2.91Å; P759-N763 PolarHBondContact O-ND2 2.93Å; P759-N763 PolarHBondContact O-OD1 3.49Å; E760-N763 WeakPolarHBondContact O-CB 3.47Å; E760-N763 PolarHBondContact O-N 3.36Å; N763-M765 PolarHBondContact O-N 2.96Å; N763-F766 PolarHBondContact O-N 2.92Å |
| 764 | H | 88.2 | Confident | 86.9 | Confident | 6 Ų | 6 | 66.2 Ų | 66.2 | 3% | 0.028 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68 | -16.8 | 178.3 | -71.6 | -59.3 | 0 | 0 | 0 | 114.1 | L722 L735 E760 I761 E762 F766 E767 I772 A776 | L722-H764 PolarHBondContact O-NE2 2.75Å; L735-H764 HydrophobicContact CD1-CB 4.11Å; E760-H764 PolarHBondContact O-CD2 2.98Å; E760-H764 PolarHBondContact O-N 3.41Å; E760-H764 VanDerWaalsContact O-N 3.1Å; I761-H764 PolarHBondContact O-N 3.49Å; E762-H764 VanDerWaalsContact C-N 3.35Å; E762-H764 PolarHBondContact O-N 3.12Å; H764-F766 PolarHBondContact O-N 3.37Å; H764-E767 IonicContact CE1-OE2 3.59Å; H764-E767 IonicContact CG-OE2 2.78Å; H764-E767 IonicContact ND1-OE2 2.74Å; H764-E767 PolarHBondContact ND1-OE2 3.49Å; H764-E767 PolarHBondContact O-N 3.31Å; H764-I772 HydrophobicContact CB-CG2 4.05Å; H764-A776 HydrophobicContact CB-CB 3.83Å |
| 765 | M | 85.8 | Confident | 87.1 | Confident | 7 Ų | 7 | 59.3 Ų | 59.3 | 3% | 0.034 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -19.1 | 170.8 | -66.4 | 175.6 | 60.1 | 0 | 0 | 112.6 | I761 E762 N763 A776 V777 M780 L803 L807 | I761-M765 WeakPolarHBondContact O-CG 3.25Å; I761-M765 PolarHBondContact O-N 2.83Å; E762-M765 WeakPolarHBondContact O-CB 3.28Å; E762-M765 PolarHBondContact O-N 3.05Å; E762-M765 VanDerWaalsContact O-N 3.15Å; N763-M765 PolarHBondContact O-N 2.96Å; M765-A776 HydrophobicContact CG-CB 3.88Å; M765-V777 HydrophobicContact CE-CG2 3.94Å; M765-V777 HydrophobicContact CG-CG2 4.04Å; M765-M780 HydrophobicContact SD-CB 4.14Å; M765-M780 HydrophobicContact SD-CE 4.26Å; M765-M780 HydrophobicContact SD-CG 4.2Å; M765-L803 HydrophobicContact CB-CD2 4.27Å; M765-L803 HydrophobicContact CE-CD2 3.94Å; M765-L803 HydrophobicContact CE-CG 4.47Å; M765-L807 HydrophobicContact CE-CD1 3.43Å; M765-L807 VanDerWaalsContact CE-CD1 3.43Å |
| 766 | F | 83.3 | Confident | 87.4 | Confident | 137 Ų | 137 | 56.8 Ų | 56.8 | 60% | 0.601 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | 0.4 | 177.9 | -60.2 | -80.3 | 0 | 0 | 0 | 113.8 | E762 N763 H764 L803 | E762-F766 WeakPolarHBondContact O-CD2 3.33Å; E762-F766 WeakPolarHBondContact O-CE2 3.42Å; N763-F766 PolarHBondContact O-N 2.92Å; H764-F766 PolarHBondContact O-N 3.37Å; F766-L803 HydrophobicContact CD1-CD1 4.06Å; F766-L803 HydrophobicContact CD1-CD2 4.4Å; F766-L803 HydrophobicContact CE1-CD1 3.54Å; F766-L803 HydrophobicContact CE1-CD2 3.66Å; F766-L803 HydrophobicContact CE1-CG 4.18Å; F766-L803 HydrophobicContact CE2-CD2 3.95Å; F766-L803 HydrophobicContact CZ-CD1 4.19Å; F766-L803 HydrophobicContact CZ-CD2 3.42Å; F766-L803 VanDerWaalsContact CZ-CD2 3.42Å; F766-L803 HydrophobicContact CZ-CG 4.34Å |
| 767 | E | 82.3 | Confident | 87.6 | Confident | 60 Ų | 60 | 48.7 Ų | 48.7 | 28% | 0.28 | 23% | 0.233 | S | C | . | . | trans | -73.7 | 144.9 | -174.5 | -155.6 | 169 | 157.9 | 0 | 0 | 111.7 | H764 N769 I772 | H764-E767 IonicContact CE1-OE2 3.59Å; H764-E767 IonicContact CG-OE2 2.78Å; H764-E767 IonicContact ND1-OE2 2.74Å; H764-E767 PolarHBondContact ND1-OE2 3.49Å; H764-E767 PolarHBondContact O-N 3.31Å; E767-N769 PolarHBondContact O-N 3.06Å; E767-I772 WeakPolarHBondContact OE1-CD1 3.49Å; E767-I772 VanDerWaalsContact OE2-CG2 3.28Å; E767-I772 WeakPolarHBondContact OE2-CG2 3.44Å | ||
| 768 | E | 79.2 | Confident | 87.9 | Confident | 189 Ų | 189 | 52.2 Ų | 52.2 | 88% | 0.883 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -67.9 | -24.6 | 179.1 | -65.8 | -174.7 | 172.9 | 0 | 0 | 112.4 | E770 | E768-E770 PolarHBondContact O-N 3.1Å; E768-E770 VanDerWaalsContact O-N 3.14Å |
| 769 | N | 85.7 | Confident | 88.1 | Confident | 73 Ų | 73 | 52 Ų | 52 | 39% | 0.39 | 25% | 0.248 | S | C | . | . | trans | -73.1 | 107.8 | -179.7 | -171.7 | -24.3 | 0 | 0 | 0 | 111.2 | E767 K771 I772 R773 | E767-N769 PolarHBondContact O-N 3.06Å; N769-K771 PolarHBondContact O-N 3.3Å; N769-K771 VanDerWaalsContact O-N 3.11Å; N769-K771 PolarHBondContact OD1-N 3.1Å; N769-I772 HydrophobicContact CB-CB 4.27Å; N769-I772 HydrophobicContact CB-CD1 4.04Å; N769-I772 HydrophobicContact CB-CG1 4.24Å; N769-I772 PolarHBondContact O-N 3.24Å; N769-I772 VanDerWaalsContact O-N 3.11Å; N769-R773 WeakPolarHBondContact O-CB 3.3Å; N769-R773 PolarHBondContact O-N 3.49Å | ||
| 770 | E | 86 | Confident | 88.3 | Confident | 127 Ų | 127 | 49.6 Ų | 49.6 | 59% | 0.593 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -49.9 | -40.2 | -178.6 | -63.2 | -179.5 | 166.2 | 0 | 0 | 113.5 | E768 L774 | E768-E770 PolarHBondContact O-N 3.1Å; E768-E770 VanDerWaalsContact O-N 3.14Å; E770-L774 WeakPolarHBondContact O-CB 3.37Å; E770-L774 PolarHBondContact O-N 3.14Å |
| 771 | K | 88.2 | Confident | 88.4 | Confident | 138 Ų | 138 | 48.8 Ų | 48.8 | 60% | 0.6 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -70.5 | -40.9 | -177.1 | -68.4 | -176.5 | -177.5 | 173.9 | 0 | 112.4 | Y732 N769 A775 | Y732-K771 HydrophobicContact CD2-CB 4.02Å; Y732-K771 WeakPolarHBondContact CD2-O 3.37Å; Y732-K771 HydrophobicContact CE2-CB 3.75Å; Y732-K771 VanDerWaalsContact CE2-O 3.26Å; Y732-K771 WeakPolarHBondContact CE2-O 3.4Å; N769-K771 PolarHBondContact O-N 3.3Å; N769-K771 VanDerWaalsContact O-N 3.11Å; N769-K771 PolarHBondContact OD1-N 3.1Å; K771-A775 PolarHBondContact O-N 3.35Å; K771-A775 VanDerWaalsContact O-N 3.16Å |
| 772 | I | 89.6 | Confident | 88.5 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70.1 | -45 | 179.3 | -64.5 | 174.8 | 0 | 0 | 0 | 109.2 | G728 Y732 L735 H764 E767 N769 L774 A775 A776 | G728-I772 WeakPolarHBondContact O-CD1 3.41Å; Y732-I772 HydrophobicContact CD2-CG1 4.45Å; L735-I772 HydrophobicContact CD1-CG2 3.69Å; H764-I772 HydrophobicContact CB-CG2 4.05Å; E767-I772 WeakPolarHBondContact OE1-CD1 3.49Å; E767-I772 VanDerWaalsContact OE2-CG2 3.28Å; E767-I772 WeakPolarHBondContact OE2-CG2 3.44Å; N769-I772 HydrophobicContact CB-CB 4.27Å; N769-I772 HydrophobicContact CB-CD1 4.04Å; N769-I772 HydrophobicContact CB-CG1 4.24Å; N769-I772 PolarHBondContact O-N 3.24Å; N769-I772 VanDerWaalsContact O-N 3.11Å; I772-L774 VanDerWaalsContact C-N 3.35Å; I772-L774 PolarHBondContact O-N 3.44Å; I772-A775 PolarHBondContact O-N 3.34Å; I772-A776 WeakPolarHBondContact O-CB 3.5Å; I772-A776 PolarHBondContact O-N 2.98Å |
| 773 | R | 90.1 | Very high | 88.6 | Confident | 46 Ų | 46 | 49.6 Ų | 49.6 | 17% | 0.174 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.9 | -48 | 175.4 | -173.8 | 171.8 | 67.1 | -160.3 | 4.4 | 111.9 | N769 A775 A776 V777 L815 | N769-R773 WeakPolarHBondContact O-CB 3.3Å; N769-R773 PolarHBondContact O-N 3.49Å; R773-A775 PolarHBondContact O-N 3.33Å; R773-A776 PolarHBondContact O-N 3.05Å; R773-V777 WeakPolarHBondContact O-CG2 3.18Å; R773-V777 PolarHBondContact O-N 3.04Å; R773-L815 HydrophobicContact CG-CD1 4.19Å |
| 774 | L | 90.6 | Very high | 88.6 | Confident | 25 Ų | 25 | 45.6 Ų | 45.6 | 13% | 0.131 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.8 | -50.5 | 176.2 | 176.9 | 62.6 | 0 | 0 | 0 | 112 | E770 I772 A776 V777 E778 K814 L815 | E770-L774 WeakPolarHBondContact O-CB 3.37Å; E770-L774 PolarHBondContact O-N 3.14Å; I772-L774 VanDerWaalsContact C-N 3.35Å; I772-L774 PolarHBondContact O-N 3.44Å; L774-A776 VanDerWaalsContact C-N 3.29Å; L774-A776 PolarHBondContact O-N 3.25Å; L774-V777 PolarHBondContact O-N 3.46Å; L774-E778 HydrophobicContact CD1-CG 4.23Å; L774-E778 WeakPolarHBondContact O-CG 3.49Å; L774-E778 PolarHBondContact O-N 3.02Å; L774-K814 VanDerWaalsContact CD1-C 3.48Å; L774-K814 HydrophobicContact CD1-CB 3.69Å; L774-K814 HydrophobicContact CD2-CB 3.83Å; L774-K814 HydrophobicContact CD2-CD 3.94Å; L774-K814 HydrophobicContact CG-CB 4.44Å; L774-L815 HydrophobicContact CD1-CB 4.34Å; L774-L815 HydrophobicContact CD1-CD1 4.41Å |
| 775 | A | 91.9 | Very high | 88.4 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63 | -35.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y732 L735 R736 T739 K771 I772 R773 C779 | Y732-A775 HydrophobicContact CD2-CB 4.18Å; Y732-A775 HydrophobicContact CE2-CB 4.16Å; L735-A775 HydrophobicContact CB-CB 3.77Å; L735-A775 HydrophobicContact CD1-CB 4.32Å; R736-A775 HydrophobicContact CG-CB 4.21Å; T739-A775 PolarHBondContact OG1-O 3.11Å; K771-A775 PolarHBondContact O-N 3.35Å; K771-A775 VanDerWaalsContact O-N 3.16Å; I772-A775 PolarHBondContact O-N 3.34Å; R773-A775 PolarHBondContact O-N 3.33Å; A775-C779 WeakPolarHBondContact O-CB 3.45Å; A775-C779 PolarHBondContact O-N 2.95Å |
| 776 | A | 92.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.7 | -44.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L735 I761 H764 M765 I772 R773 L774 C779 M780 | L735-A776 HydrophobicContact CD1-CB 4.06Å; L735-A776 HydrophobicContact CD2-CB 4.39Å; I761-A776 HydrophobicContact CG2-CB 4.35Å; H764-A776 HydrophobicContact CB-CB 3.83Å; M765-A776 HydrophobicContact CG-CB 3.88Å; I772-A776 WeakPolarHBondContact O-CB 3.5Å; I772-A776 PolarHBondContact O-N 2.98Å; R773-A776 PolarHBondContact O-N 3.05Å; L774-A776 VanDerWaalsContact C-N 3.29Å; L774-A776 PolarHBondContact O-N 3.25Å; A776-C779 WeakPolarHBondContact O-CB 3.35Å; A776-C779 PolarHBondContact O-N 2.93Å; A776-M780 PolarHBondContact O-N 2.94Å |
| 777 | V | 91.8 | Very high | 88.5 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.5 | -40.5 | 178.1 | 178.7 | 0 | 0 | 0 | 0 | 111.6 | M765 R773 L774 C779 M780 C781 L807 L815 A818 A819 | M765-V777 HydrophobicContact CE-CG2 3.94Å; M765-V777 HydrophobicContact CG-CG2 4.04Å; R773-V777 WeakPolarHBondContact O-CG2 3.18Å; R773-V777 PolarHBondContact O-N 3.04Å; L774-V777 PolarHBondContact O-N 3.46Å; V777-C779 VanDerWaalsContact C-N 3.34Å; V777-C779 PolarHBondContact O-N 3.45Å; V777-M780 PolarHBondContact O-N 2.83Å; V777-C781 WeakPolarHBondContact O-CB 3.19Å; V777-C781 PolarHBondContact O-N 3.43Å; V777-L807 HydrophobicContact CG2-CD1 3.89Å; V777-L815 HydrophobicContact CB-CD1 3.94Å; V777-L815 HydrophobicContact CG1-CD1 4.32Å; V777-L815 HydrophobicContact CG2-CD1 3.65Å; V777-A818 HydrophobicContact CB-CB 4.4Å; V777-A818 HydrophobicContact CG1-CB 3.72Å; V777-A819 HydrophobicContact CG1-CB 4.09Å |
| 778 | E | 92.1 | Very high | 88.6 | Confident | 73 Ų | 73 | 50.2 Ų | 50.2 | 34% | 0.341 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.6 | -42.9 | 172.8 | -71.6 | 177.5 | 157.8 | 0 | 0 | 111.6 | T739 L774 C781 N782 A818 | T739-E778 HydrophobicContact CG2-CB 3.89Å; L774-E778 HydrophobicContact CD1-CG 4.23Å; L774-E778 WeakPolarHBondContact O-CG 3.49Å; L774-E778 PolarHBondContact O-N 3.02Å; E778-C781 WeakPolarHBondContact O-CB 3.31Å; E778-C781 PolarHBondContact O-N 2.85Å; E778-N782 PolarHBondContact O-N 3.36Å; E778-A818 HydrophobicContact CG-CB 3.8Å |
| 779 | C | 92.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.7 | -45.4 | 175.4 | -168 | 0 | 0 | 0 | 0 | 111.5 | T739 I761 A775 A776 V777 C781 N782 L783 | T739-C779 WeakPolarHBondContact OG1-CA 3.24Å; T739-C779 VanDerWaalsContact OG1-CB 3.24Å; T739-C779 WeakPolarHBondContact OG1-CB 3.33Å; T739-C779 PolarHBondContact OG1-N 3.4Å; I761-C779 HydrophobicContact CG2-CB 4.35Å; A775-C779 WeakPolarHBondContact O-CB 3.45Å; A775-C779 PolarHBondContact O-N 2.95Å; A776-C779 WeakPolarHBondContact O-CB 3.35Å; A776-C779 PolarHBondContact O-N 2.93Å; V777-C779 VanDerWaalsContact C-N 3.34Å; V777-C779 PolarHBondContact O-N 3.45Å; C779-C781 VanDerWaalsContact C-N 3.34Å; C779-C781 PolarHBondContact O-N 3.08Å; C779-N782 PolarHBondContact O-N 3Å; C779-L783 WeakPolarHBondContact O-CG 3.49Å; C779-L783 PolarHBondContact O-N 3.22Å; C779-L783 VanDerWaalsContact O-N 3.12Å |
| 780 | M | 91 | Very high | 88.8 | Confident | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.015 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.9 | -39.9 | 179.2 | -170.7 | 58.3 | 72.1 | 0 | 0 | 111.6 | L758 I761 E762 M765 A776 V777 N782 L783 V784 V789 | L758-M780 HydrophobicContact CD2-CE 4.39Å; I761-M780 HydrophobicContact CB-CE 4.47Å; I761-M780 HydrophobicContact CG2-CE 4.02Å; E762-M780 HydrophobicContact CG-CE 3.78Å; M765-M780 HydrophobicContact SD-CB 4.14Å; M765-M780 HydrophobicContact SD-CE 4.26Å; M765-M780 HydrophobicContact SD-CG 4.2Å; A776-M780 PolarHBondContact O-N 2.94Å; V777-M780 PolarHBondContact O-N 2.83Å; M780-N782 VanDerWaalsContact C-N 3.31Å; M780-N782 PolarHBondContact O-N 3.45Å; M780-L783 PolarHBondContact O-N 3.49Å; M780-L783 HydrophobicContact SD-CB 4.49Å; M780-V784 WeakPolarHBondContact O-CG2 3.34Å; M780-V784 PolarHBondContact O-N 2.99Å; M780-V789 HydrophobicContact SD-CG1 4.4Å |
| 781 | C | 91.1 | Very high | 88.7 | Confident | 19 Ų | 19 | 35.6 Ų | 35.6 | 13% | 0.128 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -54.5 | -45.7 | 175.4 | -175.5 | 0 | 0 | 0 | 0 | 111.5 | V777 E778 C779 A818 G822 M825 | V777-C781 WeakPolarHBondContact O-CB 3.19Å; V777-C781 PolarHBondContact O-N 3.43Å; E778-C781 WeakPolarHBondContact O-CB 3.31Å; E778-C781 PolarHBondContact O-N 2.85Å; C779-C781 VanDerWaalsContact C-N 3.34Å; C779-C781 PolarHBondContact O-N 3.08Å; C781-A818 PolarHBondContact SG-O 2.89Å; C781-A818 VanDerWaalsContact SG-O 3.38Å; C781-G822 PolarHBondContact SG-N 2.71Å; C781-M825 WeakPolarHBondContact O-CE 3.46Å; C781-M825 WeakPolarHBondContact SG-CE 3.29Å |
| 782 | N | 92 | Very high | 88.4 | Confident | 50 Ų | 50 | 33.3 Ų | 33.3 | 27% | 0.267 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -69.5 | -34.2 | 176.5 | -70.7 | -15.5 | 0 | 0 | 0 | 113 | T739 A742 R749 E778 C779 M780 T785 | T739-N782 PolarHBondContact O-ND2 3.15Å; A742-N782 HydrophobicContact CB-CB 3.73Å; R749-N782 VanDerWaalsContact CD-O 3.3Å; R749-N782 WeakPolarHBondContact CD-O 3.42Å; E778-N782 PolarHBondContact O-N 3.36Å; C779-N782 PolarHBondContact O-N 3Å; M780-N782 VanDerWaalsContact C-N 3.31Å; M780-N782 PolarHBondContact O-N 3.45Å; N782-T785 PolarHBondContact O-OG1 3.5Å |
| 783 | L | 89.3 | Confident | 88 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -72.8 | -28.9 | -178.7 | -73.9 | 171.3 | 0 | 0 | 0 | 113.9 | A742 R749 M752 L758 I761 C779 M780 T785 C786 V789 | A742-L783 HydrophobicContact CB-CD2 4.1Å; A742-L783 HydrophobicContact CB-CG 4.23Å; R749-L783 HydrophobicContact CB-CD2 4.15Å; R749-L783 HydrophobicContact CG-CD2 4.06Å; M752-L783 HydrophobicContact CB-CD2 4.45Å; M752-L783 HydrophobicContact CE-CD1 3.94Å; M752-L783 HydrophobicContact CE-CD2 3.78Å; M752-L783 HydrophobicContact CE-CG 4.23Å; M752-L783 HydrophobicContact SD-CD2 4.02Å; L758-L783 HydrophobicContact CD2-CD1 3.97Å; I761-L783 HydrophobicContact CD1-CD1 3.75Å; C779-L783 WeakPolarHBondContact O-CG 3.49Å; C779-L783 PolarHBondContact O-N 3.22Å; C779-L783 VanDerWaalsContact O-N 3.12Å; M780-L783 PolarHBondContact O-N 3.49Å; M780-L783 HydrophobicContact SD-CB 4.49Å; L783-T785 PolarHBondContact O-N 3.14Å; L783-C786 VanDerWaalsContact O-CB 3.25Å; L783-C786 WeakPolarHBondContact O-CB 3.33Å; L783-C786 PolarHBondContact O-N 3.17Å; L783-V789 HydrophobicContact CB-CG2 4.48Å |
| 784 | V | 87 | Confident | 87.7 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -23 | 177.4 | 153 | 0 | 0 | 0 | 0 | 113.4 | M780 C786 Q790 Y793 M825 L826 | M780-V784 WeakPolarHBondContact O-CG2 3.34Å; M780-V784 PolarHBondContact O-N 2.99Å; V784-C786 PolarHBondContact O-N 3.22Å; V784-Q790 WeakPolarHBondContact O-CG 3.43Å; V784-Q790 PolarHBondContact O-NE2 2.93Å; V784-Y793 HydrophobicContact CG2-CE2 4.26Å; V784-M825 HydrophobicContact CG1-CB 3.87Å; V784-L826 HydrophobicContact CB-CD2 4.4Å; V784-L826 HydrophobicContact CB-CG 4.43Å; V784-L826 HydrophobicContact CG1-CB 4.44Å; V784-L826 HydrophobicContact CG1-CD2 3.6Å; V784-L826 HydrophobicContact CG1-CG 3.51Å; V784-L826 HydrophobicContact CG2-CD1 4.24Å; V784-L826 HydrophobicContact CG2-CD2 4.13Å; V784-L826 HydrophobicContact CG2-CG 4.05Å |
| 785 | T | 85.1 | Confident | 87.1 | Confident | 54 Ų | 54 | 38.7 Ų | 38.7 | 33% | 0.331 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -13.4 | 174.6 | 61.1 | 0 | 0 | 0 | 0 | 113.5 | R749 N782 L783 M825 | R749-T785 WeakPolarHBondContact CD-OG1 3.47Å; R749-T785 PolarHBondContact NE-OG1 3.16Å; R749-T785 PolarHBondContact NH2-OG1 3.35Å; N782-T785 PolarHBondContact O-OG1 3.5Å; L783-T785 PolarHBondContact O-N 3.14Å; T785-M825 HydrophobicContact CG2-SD 3.79Å |
| 786 | C | 86.6 | Confident | 85.9 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.02 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -85 | 130.7 | 178.2 | -172.3 | 0 | 0 | 0 | 0 | 111.7 | R749 L783 V784 E788 V789 Q790 | R749-C786 HydrophobicContact CB-CB 4.42Å; L783-C786 VanDerWaalsContact O-CB 3.25Å; L783-C786 WeakPolarHBondContact O-CB 3.33Å; L783-C786 PolarHBondContact O-N 3.17Å; V784-C786 PolarHBondContact O-N 3.22Å; C786-E788 VanDerWaalsContact C-N 3.28Å; C786-E788 PolarHBondContact O-N 3Å; C786-V789 HydrophobicContact CB-CB 4.39Å; C786-V789 HydrophobicContact CB-CG2 4Å; C786-V789 WeakPolarHBondContact O-CB 3.34Å; C786-V789 PolarHBondContact O-N 3.39Å; C786-Q790 WeakPolarHBondContact O-CG 3.46Å; C786-Q790 PolarHBondContact O-N 3.39Å |
| 787 | K | 84.4 | Confident | 84.9 | Confident | 161 Ų | 161 | 50 Ų | 50 | 70% | 0.7 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -57.7 | -36.4 | 179.6 | -65.2 | -174.7 | 179.9 | -177.9 | 0 | 113.7 | V789 Q790 A791 | K787-V789 VanDerWaalsContact C-N 3.3Å; K787-V789 PolarHBondContact O-N 2.89Å; K787-Q790 PolarHBondContact O-N 3.28Å; K787-A791 PolarHBondContact O-N 3.31Å |
| 788 | E | 83.1 | Confident | 84.3 | Confident | 89 Ų | 89 | 51.5 Ų | 51.5 | 42% | 0.416 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.1 | -34.9 | 177.9 | -66.3 | -179 | -175.4 | 0 | 0 | 112 | V753 C786 | V753-E788 HydrophobicContact CG1-CB 4.38Å; V753-E788 WeakPolarHBondContact CG1-OE2 3.46Å; C786-E788 VanDerWaalsContact C-N 3.28Å; C786-E788 PolarHBondContact O-N 3Å |
| 789 | V | 84.9 | Confident | 83.8 | Confident | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.018 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -72.9 | -43.7 | 176 | 179.8 | 0 | 0 | 0 | 0 | 109.9 | V753 L758 M780 L783 C786 K787 A791 R792 Y793 | V753-V789 HydrophobicContact CG2-CG2 3.94Å; L758-V789 HydrophobicContact CD1-CG2 4.09Å; L758-V789 HydrophobicContact CD2-CG2 4.03Å; M780-V789 HydrophobicContact SD-CG1 4.4Å; L783-V789 HydrophobicContact CB-CG2 4.48Å; C786-V789 HydrophobicContact CB-CB 4.39Å; C786-V789 HydrophobicContact CB-CG2 4Å; C786-V789 WeakPolarHBondContact O-CB 3.34Å; C786-V789 PolarHBondContact O-N 3.39Å; K787-V789 VanDerWaalsContact C-N 3.3Å; K787-V789 PolarHBondContact O-N 2.89Å; V789-A791 VanDerWaalsContact C-N 3.31Å; V789-A791 PolarHBondContact O-N 3.42Å; V789-R792 WeakPolarHBondContact O-CB 3.49Å; V789-R792 PolarHBondContact O-N 3.01Å; V789-R792 VanDerWaalsContact O-N 3.09Å; V789-Y793 HydrophobicContact CG1-CD2 4.19Å; V789-Y793 HydrophobicContact CG1-CE2 3.87Å; V789-Y793 WeakPolarHBondContact O-CD2 3.36Å; V789-Y793 PolarHBondContact O-N 3.38Å |
| 790 | Q | 84.4 | Confident | 83.3 | Confident | 24 Ų | 24 | 55.8 Ų | 55.8 | 11% | 0.112 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.4 | -43.1 | 176.7 | -66.9 | 169.7 | -3 | 0 | 0 | 112 | V784 C786 K787 R792 Y793 L794 L826 | V784-Q790 WeakPolarHBondContact O-CG 3.43Å; V784-Q790 PolarHBondContact O-NE2 2.93Å; C786-Q790 WeakPolarHBondContact O-CG 3.46Å; C786-Q790 PolarHBondContact O-N 3.39Å; K787-Q790 PolarHBondContact O-N 3.28Å; Q790-R792 VanDerWaalsContact C-N 3.27Å; Q790-R792 PolarHBondContact O-N 3.42Å; Q790-Y793 PolarHBondContact O-N 3.03Å; Q790-Y793 VanDerWaalsContact O-N 3.1Å; Q790-L794 PolarHBondContact O-N 3.46Å; Q790-L826 HydrophobicContact CG-CD2 4.21Å |
| 791 | A | 84 | Confident | 83 | Confident | 54 Ų | 54 | 55.7 Ų | 55.7 | 45% | 0.446 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.3 | -37.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K787 V789 Y793 L794 E795 | K787-A791 PolarHBondContact O-N 3.31Å; V789-A791 VanDerWaalsContact C-N 3.31Å; V789-A791 PolarHBondContact O-N 3.42Å; A791-Y793 PolarHBondContact O-N 3.35Å; A791-L794 WeakPolarHBondContact O-CB 3.36Å; A791-L794 PolarHBondContact O-N 3.32Å; A791-L794 VanDerWaalsContact O-N 3.11Å; A791-E795 PolarHBondContact O-N 2.98Å |
| 792 | R | 82.5 | Confident | 82.8 | Confident | 90 Ų | 90 | 58.7 Ų | 58.7 | 34% | 0.34 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.7 | -34.1 | 176.4 | -69.1 | -177.6 | 179.1 | -138.9 | -2.9 | 113 | V789 Q790 L794 N798 | V789-R792 WeakPolarHBondContact O-CB 3.49Å; V789-R792 PolarHBondContact O-N 3.01Å; V789-R792 VanDerWaalsContact O-N 3.09Å; Q790-R792 VanDerWaalsContact C-N 3.27Å; Q790-R792 PolarHBondContact O-N 3.42Å; R792-L794 PolarHBondContact O-N 3.07Å; R792-N798 PolarHBondContact O-ND2 3.21Å |
| 793 | Y | 82 | Confident | 82.4 | Confident | 6 Ų | 6 | 57.9 Ų | 57.9 | 2% | 0.024 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70.5 | -24.3 | 173.5 | -79.1 | -85.4 | 0 | 0 | 0 | 112.2 | V784 V789 Q790 A791 K800 L801 L826 K836 | V784-Y793 HydrophobicContact CG2-CE2 4.26Å; V789-Y793 HydrophobicContact CG1-CD2 4.19Å; V789-Y793 HydrophobicContact CG1-CE2 3.87Å; V789-Y793 WeakPolarHBondContact O-CD2 3.36Å; V789-Y793 PolarHBondContact O-N 3.38Å; Q790-Y793 PolarHBondContact O-N 3.03Å; Q790-Y793 VanDerWaalsContact O-N 3.1Å; A791-Y793 PolarHBondContact O-N 3.35Å; Y793-K800 HydrophobicContact CD1-CB 3.9Å; Y793-K800 HydrophobicContact CE1-CB 3.7Å; Y793-L801 HydrophobicContact CD1-CB 4.5Å; Y793-L826 HydrophobicContact CD1-CD1 4Å; Y793-L826 HydrophobicContact CD2-CD1 4.22Å; Y793-L826 HydrophobicContact CD2-CD2 4.03Å; Y793-L826 HydrophobicContact CE1-CD1 4.13Å; Y793-L826 HydrophobicContact CE2-CD1 4.36Å; Y793-L826 HydrophobicContact CG-CD1 4.05Å; Y793-L826 HydrophobicContact CG-CD2 4.23Å; Y793-K836 PolarHBondContact O-NZ 2.83Å |
| 794 | L | 81.9 | Confident | 82.2 | Confident | 60 Ų | 60 | 58 Ų | 58 | 31% | 0.314 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -75.8 | -36.3 | 176.9 | -167.8 | 67.9 | 0 | 0 | 0 | 112.4 | Q790 A791 R792 D796 K832 L833 K836 | Q790-L794 PolarHBondContact O-N 3.46Å; A791-L794 WeakPolarHBondContact O-CB 3.36Å; A791-L794 PolarHBondContact O-N 3.32Å; A791-L794 VanDerWaalsContact O-N 3.11Å; R792-L794 PolarHBondContact O-N 3.07Å; L794-D796 PolarHBondContact O-N 3.35Å; L794-K832 HydrophobicContact CD1-CB 3.9Å; L794-K832 HydrophobicContact CD1-CD 4.29Å; L794-L833 HydrophobicContact CD1-CD2 4.22Å; L794-K836 PolarHBondContact O-NZ 3.05Å |
| 795 | E | 79.5 | Confident | 82.2 | Confident | 120 Ų | 120 | 58.2 Ų | 58.2 | 56% | 0.561 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -49.9 | 131.8 | -179.6 | -73.4 | 174 | -173.7 | 0 | 0 | 113.2 | A791 N798 K836 | A791-E795 PolarHBondContact O-N 2.98Å; E795-N798 PolarHBondContact O-ND2 3.4Å; E795-K836 PolarHBondContact O-NZ 3.38Å |
| 796 | D | 66.2 | Low | 82.3 | Confident | 150 Ų | 150 | 58.8 Ų | 58.8 | 80% | 0.802 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | 137.4 | 180 | -68.3 | -38.1 | 0 | 0 | 0 | 110.9 | L794 K836 | L794-D796 PolarHBondContact O-N 3.35Å; D796-K836 IonicContact OD1-NZ 3.46Å |
| 797 | G | 70.3 | Confident | 82.3 | Confident | 89 Ų | 89 | 59.1 Ų | 59.1 | 92% | 0.918 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.9 | 10.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 798 | N | 79.9 | Confident | 82.3 | Confident | 32 Ų | 32 | 51.5 Ų | 51.5 | 17% | 0.171 | 28% | 0.282 | C | S | . | . | trans | -117.3 | 144.5 | 173.6 | 70.2 | 43.3 | 0 | 0 | 0 | 113 | R792 E795 K800 | R792-N798 PolarHBondContact O-ND2 3.21Å; E795-N798 PolarHBondContact O-ND2 3.4Å; N798-K800 VanDerWaalsContact C-N 3.26Å; N798-K800 HydrophobicContact CB-CD 4.3Å; N798-K800 HydrophobicContact CB-CG 4.05Å; N798-K800 PolarHBondContact O-N 3.49Å | ||
| 799 | D | 82.3 | Confident | 82.2 | Confident | 116 Ų | 116 | 48.1 Ų | 48.1 | 62% | 0.62 | 27% | 0.271 | S | S | * | . | trans | -90.8 | 20.6 | 177.7 | -73.1 | -45.8 | 0 | 0 | 0 | 112.5 | K802 L803 | D799-K802 HydrophobicContact CB-CB 4.19Å; D799-K802 WeakPolarHBondContact O-CB 3.47Å; D799-K802 PolarHBondContact O-N 3.26Å; D799-L803 PolarHBondContact O-N 3.26Å | ||
| 800 | K | 82.6 | Confident | 82.2 | Confident | 47 Ų | 47 | 52 Ų | 52 | 20% | 0.204 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69 | -43.3 | -173.1 | -63.3 | -178 | 178.7 | -153.9 | 0 | 112.3 | E762 Y793 N798 K802 L803 L804 | E762-K800 IonicContact OE1-NZ 3.39Å; E762-K800 PolarHBondContact OE1-NZ 3.35Å; E762-K800 WeakPolarHBondContact OE2-CE 3.37Å; E762-K800 IonicContact OE2-NZ 2.82Å; E762-K800 PolarHBondContact OE2-NZ 3.29Å; Y793-K800 HydrophobicContact CD1-CB 3.9Å; Y793-K800 HydrophobicContact CE1-CB 3.7Å; N798-K800 VanDerWaalsContact C-N 3.26Å; N798-K800 HydrophobicContact CB-CD 4.3Å; N798-K800 HydrophobicContact CB-CG 4.05Å; N798-K800 PolarHBondContact O-N 3.49Å; K800-K802 VanDerWaalsContact C-N 3.27Å; K800-K802 PolarHBondContact O-N 2.88Å; K800-L803 PolarHBondContact O-N 3.15Å; K800-L804 PolarHBondContact O-N 3.4Å |
| 801 | L | 84.4 | Confident | 82.1 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.6 | -35.3 | 174.7 | -173.7 | 63.2 | 0 | 0 | 0 | 110.9 | Y793 L804 V805 L823 K836 M837 | Y793-L801 HydrophobicContact CD1-CB 4.5Å; L801-L804 PolarHBondContact O-N 3.42Å; L801-V805 VanDerWaalsContact O-CG2 3.23Å; L801-V805 WeakPolarHBondContact O-CG2 3.43Å; L801-V805 PolarHBondContact O-N 3.46Å; L801-V805 VanDerWaalsContact O-N 3.12Å; L801-L823 HydrophobicContact CD1-CD1 4.01Å; L801-K836 HydrophobicContact CD2-CB 3.89Å; L801-K836 HydrophobicContact CD2-CD 4.13Å; L801-K836 HydrophobicContact CD2-CG 3.9Å; L801-M837 HydrophobicContact CD2-CB 4.31Å |
| 802 | K | 85.9 | Confident | 82.2 | Confident | 81 Ų | 81 | 56.5 Ų | 56.5 | 35% | 0.352 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57.6 | -51.8 | 175.8 | -172.6 | 161.2 | 176.5 | -174.2 | 0 | 110.7 | D799 K800 L804 V805 L806 V840 T841 | D799-K802 HydrophobicContact CB-CB 4.19Å; D799-K802 WeakPolarHBondContact O-CB 3.47Å; D799-K802 PolarHBondContact O-N 3.26Å; K800-K802 VanDerWaalsContact C-N 3.27Å; K800-K802 PolarHBondContact O-N 2.88Å; K802-L804 PolarHBondContact O-N 3.07Å; K802-V805 PolarHBondContact O-N 3.22Å; K802-L806 HydrophobicContact CG-CD1 3.95Å; K802-L806 HydrophobicContact CG-CG 4.45Å; K802-L806 VanDerWaalsContact O-CG 3.32Å; K802-L806 WeakPolarHBondContact O-CG 3.37Å; K802-L806 PolarHBondContact O-N 3.33Å; K802-V840 HydrophobicContact CB-CG1 3.26Å; K802-V840 HydrophobicContact CD-CG1 4.19Å; K802-V840 HydrophobicContact CG-CG1 3.88Å; K802-T841 HydrophobicContact CD-CG2 4.29Å; K802-T841 HydrophobicContact CG-CG2 3.65Å |
| 803 | L | 84.4 | Confident | 82.4 | Confident | 33 Ų | 33 | 56.5 Ų | 56.5 | 17% | 0.173 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.7 | -48.2 | -178.8 | -177.9 | 67.7 | 0 | 0 | 0 | 111.5 | M765 F766 D799 K800 V805 L806 L807 | M765-L803 HydrophobicContact CB-CD2 4.27Å; M765-L803 HydrophobicContact CE-CD2 3.94Å; M765-L803 HydrophobicContact CE-CG 4.47Å; F766-L803 HydrophobicContact CD1-CD1 4.06Å; F766-L803 HydrophobicContact CD1-CD2 4.4Å; F766-L803 HydrophobicContact CE1-CD1 3.54Å; F766-L803 HydrophobicContact CE1-CD2 3.66Å; F766-L803 HydrophobicContact CE1-CG 4.18Å; F766-L803 HydrophobicContact CE2-CD2 3.95Å; F766-L803 HydrophobicContact CZ-CD1 4.19Å; F766-L803 HydrophobicContact CZ-CD2 3.42Å; F766-L803 VanDerWaalsContact CZ-CD2 3.42Å; F766-L803 HydrophobicContact CZ-CG 4.34Å; D799-L803 PolarHBondContact O-N 3.26Å; K800-L803 PolarHBondContact O-N 3.15Å; L803-V805 VanDerWaalsContact C-N 3.28Å; L803-V805 PolarHBondContact O-N 2.88Å; L803-L806 PolarHBondContact O-N 2.96Å; L803-L807 HydrophobicContact CD1-CD1 4.42Å; L803-L807 HydrophobicContact CD1-CG 4.44Å; L803-L807 HydrophobicContact CG-CD1 3.97Å; L803-L807 HydrophobicContact CG-CG 4.41Å; L803-L807 WeakPolarHBondContact O-CB 3.18Å; L803-L807 VanDerWaalsContact O-CG 3.29Å; L803-L807 WeakPolarHBondContact O-CG 3.34Å; L803-L807 PolarHBondContact O-N 3.44Å |
| 804 | L | 85.8 | Confident | 82.6 | Confident | 5 Ų | 5 | 62.6 Ų | 62.6 | 3% | 0.026 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.1 | -37.9 | -178.7 | -170.9 | 65.7 | 0 | 0 | 0 | 112.1 | K800 L801 K802 C808 A819 L823 L826 | K800-L804 PolarHBondContact O-N 3.4Å; L801-L804 PolarHBondContact O-N 3.42Å; K802-L804 PolarHBondContact O-N 3.07Å; L804-C808 PolarHBondContact O-N 2.89Å; L804-C808 PolarHBondContact O-SG 3.33Å; L804-A819 HydrophobicContact CD1-CB 4.15Å; L804-L823 HydrophobicContact CD2-CB 4.13Å; L804-L823 HydrophobicContact CD2-CD1 4.38Å; L804-L823 HydrophobicContact CG-CB 4.43Å; L804-L826 HydrophobicContact CD2-CD1 3.56Å |
| 805 | V | 86.4 | Confident | 83 | Confident | 4 Ų | 4 | 59.8 Ų | 59.8 | 2% | 0.024 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.6 | -43.6 | 175.6 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | L801 K802 L803 L807 C808 L823 M837 I847 | L801-V805 VanDerWaalsContact O-CG2 3.23Å; L801-V805 WeakPolarHBondContact O-CG2 3.43Å; L801-V805 PolarHBondContact O-N 3.46Å; L801-V805 VanDerWaalsContact O-N 3.12Å; K802-V805 PolarHBondContact O-N 3.22Å; L803-V805 VanDerWaalsContact C-N 3.28Å; L803-V805 PolarHBondContact O-N 2.88Å; V805-L807 PolarHBondContact O-N 3.43Å; V805-C808 VanDerWaalsContact O-CB 3.31Å; V805-C808 WeakPolarHBondContact O-CB 3.24Å; V805-C808 PolarHBondContact O-N 3.35Å; V805-C808 VanDerWaalsContact O-N 3.14Å; V805-L823 HydrophobicContact CG2-CD1 4.29Å; V805-L823 HydrophobicContact CG2-CD2 4.06Å; V805-M837 HydrophobicContact CG2-CG 3.83Å; V805-M837 HydrophobicContact CG2-SD 3.88Å; V805-I847 HydrophobicContact CG1-CD1 3.99Å |
| 806 | L | 86.5 | Confident | 83.4 | Confident | 67 Ų | 67 | 54.1 Ų | 54.1 | 35% | 0.351 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.5 | -40.1 | 177.2 | -68.9 | 173.7 | 0 | 0 | 0 | 112.2 | K802 L803 C808 G809 T841 I847 | K802-L806 HydrophobicContact CG-CD1 3.95Å; K802-L806 HydrophobicContact CG-CG 4.45Å; K802-L806 VanDerWaalsContact O-CG 3.32Å; K802-L806 WeakPolarHBondContact O-CG 3.37Å; K802-L806 PolarHBondContact O-N 3.33Å; L803-L806 PolarHBondContact O-N 2.96Å; L806-C808 PolarHBondContact O-N 3.44Å; L806-G809 WeakPolarHBondContact O-CA 3.35Å; L806-G809 PolarHBondContact O-N 3.09Å; L806-T841 HydrophobicContact CD2-CG2 4.39Å; L806-T841 HydrophobicContact CG-CG2 4.48Å; L806-I847 HydrophobicContact CD2-CD1 4.39Å |
| 807 | L | 86.3 | Confident | 84.5 | Confident | 9 Ų | 9 | 49 Ų | 49 | 5% | 0.047 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.3 | -23.4 | 175.3 | -72 | 169 | 0 | 0 | 0 | 113.1 | M765 V777 L803 V805 G809 E810 L815 A819 | M765-L807 HydrophobicContact CE-CD1 3.43Å; M765-L807 VanDerWaalsContact CE-CD1 3.43Å; V777-L807 HydrophobicContact CG2-CD1 3.89Å; L803-L807 HydrophobicContact CD1-CD1 4.42Å; L803-L807 HydrophobicContact CD1-CG 4.44Å; L803-L807 HydrophobicContact CG-CD1 3.97Å; L803-L807 HydrophobicContact CG-CG 4.41Å; L803-L807 WeakPolarHBondContact O-CB 3.18Å; L803-L807 VanDerWaalsContact O-CG 3.29Å; L803-L807 WeakPolarHBondContact O-CG 3.34Å; L803-L807 PolarHBondContact O-N 3.44Å; V805-L807 PolarHBondContact O-N 3.43Å; L807-G809 VanDerWaalsContact C-N 3.25Å; L807-E810 HydrophobicContact CD2-CG 4.47Å; L807-L815 HydrophobicContact CD2-CD2 4.09Å; L807-A819 HydrophobicContact CB-CB 3.9Å |
| 808 | C | 84.9 | Confident | 85.4 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.007 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -19.4 | 171.7 | -60.9 | 0 | 0 | 0 | 0 | 112.9 | L804 V805 L806 A819 I847 L851 | L804-C808 PolarHBondContact O-N 2.89Å; L804-C808 PolarHBondContact O-SG 3.33Å; V805-C808 VanDerWaalsContact O-CB 3.31Å; V805-C808 WeakPolarHBondContact O-CB 3.24Å; V805-C808 PolarHBondContact O-N 3.35Å; V805-C808 VanDerWaalsContact O-N 3.14Å; L806-C808 PolarHBondContact O-N 3.44Å; C808-A819 VanDerWaalsContact SG-C 3.59Å; C808-I847 HydrophobicContact CB-CG2 3.92Å; C808-L851 HydrophobicContact CB-CD1 3.99Å; C808-L851 HydrophobicContact CB-CD2 4.31Å |
| 809 | G | 81.9 | Confident | 85.9 | Confident | 18 Ų | 18 | 43.7 Ų | 43.7 | 19% | 0.186 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -92 | -8.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L806 L807 R850 | L806-G809 WeakPolarHBondContact O-CA 3.35Å; L806-G809 PolarHBondContact O-N 3.09Å; L807-G809 VanDerWaalsContact C-N 3.25Å; G809-R850 PolarHBondContact O-NH1 3.37Å |
| 810 | E | 84.3 | Confident | 86.2 | Confident | 85 Ų | 85 | 38.2 Ų | 38.2 | 40% | 0.397 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -65.7 | 159.5 | 177.2 | -74.9 | -69.7 | 156.8 | 0 | 0 | 112.6 | L807 L815 Q816 | L807-E810 HydrophobicContact CD2-CG 4.47Å; E810-L815 HydrophobicContact CB-CD2 4.1Å; E810-L815 HydrophobicContact CG-CD2 4.21Å; E810-Q816 VanDerWaalsContact O-CD 3.25Å; E810-Q816 VanDerWaalsContact O-CG 3.25Å; E810-Q816 WeakPolarHBondContact O-CG 3.39Å; E810-Q816 PolarHBondContact O-NE2 3.22Å |
| 811 | D | 82.1 | Confident | 86.6 | Confident | 119 Ų | 119 | 36.4 Ų | 36.4 | 64% | 0.636 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -82.8 | -17.5 | -174.1 | -66.9 | -28.8 | 0 | 0 | 0 | 114.6 | E813 R850 | D811-E813 PolarHBondContact O-N 2.73Å; D811-R850 IonicContact OD1-CZ 3.51Å; D811-R850 IonicContact OD1-NH1 2.7Å; D811-R850 PolarHBondContact OD1-NH1 2.86Å; D811-R850 IonicContact OD1-NH2 3.17Å; D811-R850 PolarHBondContact OD1-NH2 2.77Å |
| 812 | D | 85.7 | Confident | 86.8 | Confident | 53 Ų | 53 | 36.4 Ų | 36.4 | 28% | 0.283 | 19% | 0.186 | S | C | . | . | trans | -73.9 | 112 | 179.4 | 178 | 5.3 | 0 | 0 | 0 | 111.6 | K814 L815 Q816 | D812-K814 VanDerWaalsContact C-N 3.28Å; D812-K814 PolarHBondContact O-N 3.33Å; D812-K814 PolarHBondContact OD1-N 2.98Å; D812-L815 HydrophobicContact CB-CB 3.88Å; D812-L815 WeakPolarHBondContact O-CB 3.11Å; D812-L815 PolarHBondContact O-N 2.82Å; D812-L815 VanDerWaalsContact O-N 3.17Å; D812-Q816 WeakPolarHBondContact O-CG 3.43Å; D812-Q816 PolarHBondContact O-N 3.08Å | ||
| 813 | E | 86.4 | Confident | 86.9 | Confident | 90 Ų | 90 | 32.7 Ų | 32.7 | 42% | 0.421 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -54.3 | -39.7 | -179.7 | -64.4 | -169.9 | -165.5 | 0 | 0 | 113.3 | D811 Q816 I817 N856 | D811-E813 PolarHBondContact O-N 2.73Å; E813-Q816 PolarHBondContact O-N 3.48Å; E813-I817 WeakPolarHBondContact O-CD1 3.36Å; E813-I817 WeakPolarHBondContact O-CG1 3.42Å; E813-I817 PolarHBondContact O-N 3.46Å; E813-N856 PolarHBondContact OE2-ND2 3.5Å |
| 814 | K | 87.9 | Confident | 87.1 | Confident | 135 Ų | 135 | 31.6 Ų | 31.6 | 59% | 0.587 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -70.6 | -39.8 | -177.3 | -68.6 | -177.3 | -178.7 | 173.8 | 0 | 111 | L774 D812 I817 A818 | L774-K814 VanDerWaalsContact CD1-C 3.48Å; L774-K814 HydrophobicContact CD1-CB 3.69Å; L774-K814 HydrophobicContact CD2-CB 3.83Å; L774-K814 HydrophobicContact CD2-CD 3.94Å; L774-K814 HydrophobicContact CG-CB 4.44Å; D812-K814 VanDerWaalsContact C-N 3.28Å; D812-K814 PolarHBondContact O-N 3.33Å; D812-K814 PolarHBondContact OD1-N 2.98Å; K814-I817 PolarHBondContact O-N 3.09Å; K814-A818 PolarHBondContact O-N 2.8Å; K814-A818 VanDerWaalsContact O-N 3.15Å |
| 815 | L | 88.5 | Confident | 87.3 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.9 | -45 | 176.6 | -170.6 | 67.6 | 0 | 0 | 0 | 110.7 | R773 L774 V777 L807 E810 D812 I817 A818 A819 | R773-L815 HydrophobicContact CG-CD1 4.19Å; L774-L815 HydrophobicContact CD1-CB 4.34Å; L774-L815 HydrophobicContact CD1-CD1 4.41Å; V777-L815 HydrophobicContact CB-CD1 3.94Å; V777-L815 HydrophobicContact CG1-CD1 4.32Å; V777-L815 HydrophobicContact CG2-CD1 3.65Å; L807-L815 HydrophobicContact CD2-CD2 4.09Å; E810-L815 HydrophobicContact CB-CD2 4.1Å; E810-L815 HydrophobicContact CG-CD2 4.21Å; D812-L815 HydrophobicContact CB-CB 3.88Å; D812-L815 WeakPolarHBondContact O-CB 3.11Å; D812-L815 PolarHBondContact O-N 2.82Å; D812-L815 VanDerWaalsContact O-N 3.17Å; L815-I817 PolarHBondContact O-N 3.47Å; L815-A818 PolarHBondContact O-N 2.93Å; L815-A819 WeakPolarHBondContact O-CB 3.41Å; L815-A819 PolarHBondContact O-N 3.27Å |
| 816 | Q | 88.9 | Confident | 87.3 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.009 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.8 | -44.5 | 174.7 | -73.2 | -177.8 | -15.1 | 0 | 0 | 112.1 | E810 D812 E813 A818 A819 A820 H854 V859 | E810-Q816 VanDerWaalsContact O-CD 3.25Å; E810-Q816 VanDerWaalsContact O-CG 3.25Å; E810-Q816 WeakPolarHBondContact O-CG 3.39Å; E810-Q816 PolarHBondContact O-NE2 3.22Å; D812-Q816 WeakPolarHBondContact O-CG 3.43Å; D812-Q816 PolarHBondContact O-N 3.08Å; E813-Q816 PolarHBondContact O-N 3.48Å; Q816-A818 VanDerWaalsContact C-N 3.32Å; Q816-A818 PolarHBondContact O-N 2.86Å; Q816-A819 PolarHBondContact O-N 3.1Å; Q816-A820 WeakPolarHBondContact O-CB 3.35Å; Q816-A820 PolarHBondContact O-N 3.34Å; Q816-H854 PolarHBondContact OE1-NE2 2.98Å; Q816-V859 HydrophobicContact CB-CG2 4.38Å |
| 817 | I | 89.7 | Confident | 87.4 | Confident | 43 Ų | 43 | 31.2 Ų | 31.2 | 22% | 0.221 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.2 | -45.3 | 178.7 | -71.6 | 166.1 | 0 | 0 | 0 | 110.8 | E813 K814 L815 G821 V859 R862 | E813-I817 WeakPolarHBondContact O-CD1 3.36Å; E813-I817 WeakPolarHBondContact O-CG1 3.42Å; E813-I817 PolarHBondContact O-N 3.46Å; K814-I817 PolarHBondContact O-N 3.09Å; L815-I817 PolarHBondContact O-N 3.47Å; I817-G821 PolarHBondContact O-N 2.9Å; I817-V859 HydrophobicContact CD1-CG2 4.27Å; I817-V859 HydrophobicContact CG1-CG2 3.44Å; I817-V859 VanDerWaalsContact CG1-CG2 3.44Å; I817-R862 WeakPolarHBondContact O-CD 3.43Å; I817-R862 PolarHBondContact O-NE 2.96Å |
| 818 | A | 89.2 | Confident | 87.4 | Confident | 9 Ų | 9 | 33.8 Ų | 33.8 | 7% | 0.074 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68 | -46.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V777 E778 C781 K814 L815 Q816 G821 G822 | V777-A818 HydrophobicContact CB-CB 4.4Å; V777-A818 HydrophobicContact CG1-CB 3.72Å; E778-A818 HydrophobicContact CG-CB 3.8Å; C781-A818 PolarHBondContact SG-O 2.89Å; C781-A818 VanDerWaalsContact SG-O 3.38Å; K814-A818 PolarHBondContact O-N 2.8Å; K814-A818 VanDerWaalsContact O-N 3.15Å; L815-A818 PolarHBondContact O-N 2.93Å; Q816-A818 VanDerWaalsContact C-N 3.32Å; Q816-A818 PolarHBondContact O-N 2.86Å; A818-G821 PolarHBondContact O-N 3.03Å; A818-G822 PolarHBondContact O-N 3.5Å |
| 819 | A | 89.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.7 | -48.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V777 L804 L807 C808 L815 Q816 G821 G822 L823 | V777-A819 HydrophobicContact CG1-CB 4.09Å; L804-A819 HydrophobicContact CD1-CB 4.15Å; L807-A819 HydrophobicContact CB-CB 3.9Å; C808-A819 VanDerWaalsContact SG-C 3.59Å; L815-A819 WeakPolarHBondContact O-CB 3.41Å; L815-A819 PolarHBondContact O-N 3.27Å; Q816-A819 PolarHBondContact O-N 3.1Å; A819-G821 VanDerWaalsContact C-N 3.29Å; A819-G821 PolarHBondContact O-N 3.14Å; A819-G822 PolarHBondContact O-N 3.27Å; A819-L823 WeakPolarHBondContact O-CB 3.23Å; A819-L823 PolarHBondContact O-N 3.45Å |
| 820 | A | 89.5 | Confident | 87.3 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.7 | -34.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q816 L823 A824 L851 R862 I866 | Q816-A820 WeakPolarHBondContact O-CB 3.35Å; Q816-A820 PolarHBondContact O-N 3.34Å; A820-L823 PolarHBondContact O-N 2.97Å; A820-A824 VanDerWaalsContact O-CB 3.26Å; A820-A824 WeakPolarHBondContact O-CB 3.41Å; A820-A824 PolarHBondContact O-N 3.48Å; A820-L851 HydrophobicContact CB-CD2 4.43Å; A820-R862 HydrophobicContact CB-CB 3.94Å; A820-I866 HydrophobicContact CB-CD1 4.43Å |
| 821 | G | 89.4 | Confident | 87.3 | Confident | 9 Ų | 9 | 38.6 Ų | 38.6 | 9% | 0.093 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63 | -46.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | I817 A818 A819 L823 A824 M825 | I817-G821 PolarHBondContact O-N 2.9Å; A818-G821 PolarHBondContact O-N 3.03Å; A819-G821 VanDerWaalsContact C-N 3.29Å; A819-G821 PolarHBondContact O-N 3.14Å; G821-L823 VanDerWaalsContact C-N 3.35Å; G821-L823 PolarHBondContact O-N 3.36Å; G821-A824 PolarHBondContact O-N 3.26Å; G821-M825 WeakPolarHBondContact O-CE 3.34Å; G821-M825 WeakPolarHBondContact O-CG 3.37Å; G821-M825 PolarHBondContact O-N 2.9Å; G821-M825 VanDerWaalsContact O-N 3.07Å |
| 822 | G | 88.3 | Confident | 87.2 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.1 | -43.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | C781 A818 A819 M825 L826 | C781-G822 PolarHBondContact SG-N 2.71Å; A818-G822 PolarHBondContact O-N 3.5Å; A819-G822 PolarHBondContact O-N 3.27Å; G822-M825 PolarHBondContact O-N 3.43Å; G822-L826 WeakPolarHBondContact O-CG 3.48Å; G822-L826 PolarHBondContact O-N 2.92Å |
| 823 | L | 88.9 | Confident | 87 | Confident | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67 | -39.8 | 179.1 | -174.4 | 59.5 | 0 | 0 | 0 | 112.3 | L801 L804 V805 A819 A820 G821 M825 L826 T827 M837 I866 | L801-L823 HydrophobicContact CD1-CD1 4.01Å; L804-L823 HydrophobicContact CD2-CB 4.13Å; L804-L823 HydrophobicContact CD2-CD1 4.38Å; L804-L823 HydrophobicContact CG-CB 4.43Å; V805-L823 HydrophobicContact CG2-CD1 4.29Å; V805-L823 HydrophobicContact CG2-CD2 4.06Å; A819-L823 WeakPolarHBondContact O-CB 3.23Å; A819-L823 PolarHBondContact O-N 3.45Å; A820-L823 PolarHBondContact O-N 2.97Å; G821-L823 VanDerWaalsContact C-N 3.35Å; G821-L823 PolarHBondContact O-N 3.36Å; L823-M825 VanDerWaalsContact C-N 3.33Å; L823-M825 PolarHBondContact O-N 3.19Å; L823-L826 PolarHBondContact O-N 3.32Å; L823-T827 HydrophobicContact CD1-CG2 4.21Å; L823-T827 HydrophobicContact CG-CG2 4.5Å; L823-T827 WeakPolarHBondContact O-CB 3.4Å; L823-T827 VanDerWaalsContact O-CG2 3.32Å; L823-T827 WeakPolarHBondContact O-CG2 3.3Å; L823-T827 PolarHBondContact O-N 3.48Å; L823-T827 PolarHBondContact O-OG1 2.95Å; L823-M837 HydrophobicContact CD1-SD 4.18Å; L823-M837 HydrophobicContact CD2-SD 4.07Å; L823-I866 HydrophobicContact CB-CD1 4.05Å; L823-I866 HydrophobicContact CD2-CD1 3.89Å; L823-I866 HydrophobicContact CG-CD1 3.96Å; L823-I866 HydrophobicContact CG-CG1 4.29Å |
| 824 | A | 89 | Confident | 86.7 | Confident | 11 Ų | 11 | 33.3 Ų | 33.3 | 9% | 0.091 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.7 | -42.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A820 G821 T827 A828 V865 I866 N869 | A820-A824 VanDerWaalsContact O-CB 3.26Å; A820-A824 WeakPolarHBondContact O-CB 3.41Å; A820-A824 PolarHBondContact O-N 3.48Å; G821-A824 PolarHBondContact O-N 3.26Å; A824-T827 WeakPolarHBondContact CA-OG1 3.31Å; A824-T827 PolarHBondContact O-OG1 2.94Å; A824-A828 WeakPolarHBondContact O-CB 3.34Å; A824-A828 PolarHBondContact O-N 3.31Å; A824-V865 HydrophobicContact CB-CG1 4.1Å; A824-I866 HydrophobicContact CB-CD1 4.5Å; A824-I866 HydrophobicContact CB-CG1 3.83Å; A824-N869 PolarHBondContact O-ND2 3.17Å |
| 825 | M | 88.9 | Confident | 86.4 | Confident | 63 Ų | 63 | 28.3 Ų | 28.3 | 31% | 0.31 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -69.4 | -40.2 | 177.5 | -71.8 | -173.2 | -71.4 | 0 | 0 | 112.8 | C781 V784 T785 G821 G822 L823 A828 A829 | C781-M825 WeakPolarHBondContact O-CE 3.46Å; C781-M825 WeakPolarHBondContact SG-CE 3.29Å; V784-M825 HydrophobicContact CG1-CB 3.87Å; T785-M825 HydrophobicContact CG2-SD 3.79Å; G821-M825 WeakPolarHBondContact O-CE 3.34Å; G821-M825 WeakPolarHBondContact O-CG 3.37Å; G821-M825 PolarHBondContact O-N 2.9Å; G821-M825 VanDerWaalsContact O-N 3.07Å; G822-M825 PolarHBondContact O-N 3.43Å; L823-M825 VanDerWaalsContact C-N 3.33Å; L823-M825 PolarHBondContact O-N 3.19Å; M825-A828 PolarHBondContact O-N 3.26Å; M825-A829 WeakPolarHBondContact O-CB 3.26Å; M825-A829 PolarHBondContact O-N 2.96Å |
| 826 | L | 87.9 | Confident | 86 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.2 | -46.9 | 175.3 | -78.6 | 174.4 | 0 | 0 | 0 | 111.8 | V784 Q790 Y793 L804 G822 L823 A828 A829 E830 L833 | V784-L826 HydrophobicContact CB-CD2 4.4Å; V784-L826 HydrophobicContact CB-CG 4.43Å; V784-L826 HydrophobicContact CG1-CB 4.44Å; V784-L826 HydrophobicContact CG1-CD2 3.6Å; V784-L826 HydrophobicContact CG1-CG 3.51Å; V784-L826 HydrophobicContact CG2-CD1 4.24Å; V784-L826 HydrophobicContact CG2-CD2 4.13Å; V784-L826 HydrophobicContact CG2-CG 4.05Å; Q790-L826 HydrophobicContact CG-CD2 4.21Å; Y793-L826 HydrophobicContact CD1-CD1 4Å; Y793-L826 HydrophobicContact CD2-CD1 4.22Å; Y793-L826 HydrophobicContact CD2-CD2 4.03Å; Y793-L826 HydrophobicContact CE1-CD1 4.13Å; Y793-L826 HydrophobicContact CE2-CD1 4.36Å; Y793-L826 HydrophobicContact CG-CD1 4.05Å; Y793-L826 HydrophobicContact CG-CD2 4.23Å; L804-L826 HydrophobicContact CD2-CD1 3.56Å; G822-L826 WeakPolarHBondContact O-CG 3.48Å; G822-L826 PolarHBondContact O-N 2.92Å; L823-L826 PolarHBondContact O-N 3.32Å; L826-A828 VanDerWaalsContact C-N 3.31Å; L826-A828 PolarHBondContact O-N 3.29Å; L826-A829 PolarHBondContact O-N 2.91Å; L826-E830 PolarHBondContact O-N 3.41Å; L826-L833 HydrophobicContact CB-CD1 3.93Å; L826-L833 HydrophobicContact CD2-CD1 4.01Å; L826-L833 HydrophobicContact CG-CD1 4.44Å |
| 827 | T | 87.2 | Confident | 85.6 | Confident | 4 Ų | 4 | 29.5 Ų | 29.5 | 3% | 0.025 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.3 | -29.5 | -179.2 | 52.5 | 0 | 0 | 0 | 0 | 112.7 | L823 A824 I866 N869 | L823-T827 HydrophobicContact CD1-CG2 4.21Å; L823-T827 HydrophobicContact CG-CG2 4.5Å; L823-T827 WeakPolarHBondContact O-CB 3.4Å; L823-T827 VanDerWaalsContact O-CG2 3.32Å; L823-T827 WeakPolarHBondContact O-CG2 3.3Å; L823-T827 PolarHBondContact O-N 3.48Å; L823-T827 PolarHBondContact O-OG1 2.95Å; A824-T827 WeakPolarHBondContact CA-OG1 3.31Å; A824-T827 PolarHBondContact O-OG1 2.94Å; T827-I866 HydrophobicContact CG2-CG2 4.43Å; T827-N869 PolarHBondContact OG1-ND2 3.19Å |
| 828 | A | 86.4 | Confident | 85.1 | Confident | 64 Ų | 64 | 29.2 Ų | 29.2 | 53% | 0.529 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -72 | -37.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A824 M825 L826 N869 | A824-A828 WeakPolarHBondContact O-CB 3.34Å; A824-A828 PolarHBondContact O-N 3.31Å; M825-A828 PolarHBondContact O-N 3.26Å; L826-A828 VanDerWaalsContact C-N 3.31Å; L826-A828 PolarHBondContact O-N 3.29Å; A828-N869 PolarHBondContact N-ND2 3.21Å |
| 829 | A | 83.9 | Confident | 84.6 | Confident | 48 Ų | 48 | 38.7 Ų | 38.7 | 40% | 0.397 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -77 | -43.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | M825 L826 | M825-A829 WeakPolarHBondContact O-CB 3.26Å; M825-A829 PolarHBondContact O-N 2.96Å; L826-A829 PolarHBondContact O-N 2.91Å |
| 830 | E | 82.1 | Confident | 83.8 | Confident | 72 Ų | 72 | 40.2 Ų | 40.2 | 34% | 0.336 | 21% | 0.207 | S | C | . | . | trans | -130.5 | 102.2 | -172.6 | -75.4 | -68.3 | 172.1 | 0 | 0 | 111.6 | L826 K832 L833 | L826-E830 PolarHBondContact O-N 3.41Å; E830-K832 PolarHBondContact O-N 3.48Å; E830-K832 VanDerWaalsContact O-N 3.13Å; E830-L833 HydrophobicContact CB-CD1 3.83Å; E830-L833 HydrophobicContact CB-CG 3.9Å; E830-L833 WeakPolarHBondContact O-CB 3.37Å; E830-L833 PolarHBondContact O-N 3.32Å | ||
| 831 | K | 82.6 | Confident | 83.2 | Confident | 84 Ų | 84 | 40.8 Ų | 40.8 | 37% | 0.365 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58 | -29.8 | -178.4 | -66.3 | -179.5 | 173.3 | -177.2 | 0 | 113.8 | L833 C834 D874 | K831-L833 PolarHBondContact O-N 3.03Å; K831-C834 WeakPolarHBondContact O-CB 3.25Å; K831-C834 PolarHBondContact O-N 3.47Å; K831-D874 VanDerWaalsContact CD-OD2 3.31Å; K831-D874 WeakPolarHBondContact CD-OD2 3.39Å; K831-D874 IonicContact NZ-OD1 3.8Å; K831-D874 PolarHBondContact NZ-OD1 3.2Å; K831-D874 IonicContact NZ-OD2 3.9Å; K831-D874 PolarHBondContact NZ-OD2 3.46Å |
| 832 | K | 81.4 | Confident | 82.6 | Confident | 149 Ų | 149 | 47.2 Ų | 47.2 | 65% | 0.648 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -63.7 | -26.1 | 178.2 | -69 | -179.6 | 179.1 | 176.8 | 0 | 112.8 | L794 E830 C834 T835 K836 | L794-K832 HydrophobicContact CD1-CB 3.9Å; L794-K832 HydrophobicContact CD1-CD 4.29Å; E830-K832 PolarHBondContact O-N 3.48Å; E830-K832 VanDerWaalsContact O-N 3.13Å; K832-C834 VanDerWaalsContact C-N 3.28Å; K832-C834 PolarHBondContact O-N 2.81Å; K832-T835 PolarHBondContact O-N 3.16Å; K832-K836 PolarHBondContact O-N 3.21Å; K832-K836 VanDerWaalsContact O-N 3.13Å |
| 833 | L | 81.2 | Confident | 82.3 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.8 | -28.8 | 177.9 | -64.4 | 178.2 | 0 | 0 | 0 | 112 | L794 L826 E830 K831 T835 K836 M837 | L794-L833 HydrophobicContact CD1-CD2 4.22Å; L826-L833 HydrophobicContact CB-CD1 3.93Å; L826-L833 HydrophobicContact CD2-CD1 4.01Å; L826-L833 HydrophobicContact CG-CD1 4.44Å; E830-L833 HydrophobicContact CB-CD1 3.83Å; E830-L833 HydrophobicContact CB-CG 3.9Å; E830-L833 WeakPolarHBondContact O-CB 3.37Å; E830-L833 PolarHBondContact O-N 3.32Å; K831-L833 PolarHBondContact O-N 3.03Å; L833-T835 PolarHBondContact O-N 3.3Å; L833-K836 HydrophobicContact CD2-CD 4.34Å; L833-K836 PolarHBondContact O-N 3.44Å; L833-M837 PolarHBondContact O-N 2.88Å |
| 834 | C | 80.4 | Confident | 82 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61 | -43.8 | 175.2 | -60.6 | 0 | 0 | 0 | 0 | 111.5 | K831 K832 M870 L878 | K831-C834 WeakPolarHBondContact O-CB 3.25Å; K831-C834 PolarHBondContact O-N 3.47Å; K832-C834 VanDerWaalsContact C-N 3.28Å; K832-C834 PolarHBondContact O-N 2.81Å; C834-M870 HydrophobicContact CB-CG 4.23Å; C834-L878 HydrophobicContact CB-CD2 3.99Å |
| 835 | T | 80.8 | Confident | 81.7 | Confident | 30 Ų | 30 | 54.2 Ų | 54.2 | 18% | 0.184 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -71.7 | -34 | 175 | -48.1 | 0 | 0 | 0 | 0 | 111.9 | K832 L833 M837 T838 D875 | K832-T835 PolarHBondContact O-N 3.16Å; L833-T835 PolarHBondContact O-N 3.3Å; T835-M837 VanDerWaalsContact C-N 3.34Å; T835-T838 PolarHBondContact O-OG1 3.07Å; T835-D875 WeakPolarHBondContact CG2-OD2 3.43Å; T835-D875 PolarHBondContact OG1-OD2 3.04Å |
| 836 | K | 81 | Confident | 81.5 | Confident | 26 Ų | 26 | 57 Ų | 57 | 11% | 0.113 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.5 | -38.6 | 176.3 | -166.5 | 174.6 | -177.5 | 175.7 | 0 | 111.4 | Y793 L794 E795 D796 L801 K832 L833 T838 R839 V840 | Y793-K836 PolarHBondContact O-NZ 2.83Å; L794-K836 PolarHBondContact O-NZ 3.05Å; E795-K836 PolarHBondContact O-NZ 3.38Å; D796-K836 IonicContact OD1-NZ 3.46Å; L801-K836 HydrophobicContact CD2-CB 3.89Å; L801-K836 HydrophobicContact CD2-CD 4.13Å; L801-K836 HydrophobicContact CD2-CG 3.9Å; K832-K836 PolarHBondContact O-N 3.21Å; K832-K836 VanDerWaalsContact O-N 3.13Å; L833-K836 HydrophobicContact CD2-CD 4.34Å; L833-K836 PolarHBondContact O-N 3.44Å; K836-T838 VanDerWaalsContact C-N 3.27Å; K836-T838 PolarHBondContact O-N 2.94Å; K836-R839 PolarHBondContact O-N 3.33Å; K836-V840 HydrophobicContact CG-CG2 3.9Å; K836-V840 WeakPolarHBondContact O-CG2 3.42Å; K836-V840 PolarHBondContact O-N 3.03Å; K836-V840 VanDerWaalsContact O-N 3.14Å |
| 837 | M | 80.9 | Confident | 81.4 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.1 | -39.2 | -179.9 | -172.5 | 169.5 | 70.2 | 0 | 0 | 113 | L801 V805 L823 L833 T835 R839 V840 W844 L848 I866 M870 | L801-M837 HydrophobicContact CD2-CB 4.31Å; V805-M837 HydrophobicContact CG2-CG 3.83Å; V805-M837 HydrophobicContact CG2-SD 3.88Å; L823-M837 HydrophobicContact CD1-SD 4.18Å; L823-M837 HydrophobicContact CD2-SD 4.07Å; L833-M837 PolarHBondContact O-N 2.88Å; T835-M837 VanDerWaalsContact C-N 3.34Å; M837-R839 VanDerWaalsContact C-N 3.28Å; M837-R839 PolarHBondContact O-N 2.95Å; M837-V840 PolarHBondContact O-N 2.91Å; M837-W844 HydrophobicContact CE-CE3 4.37Å; M837-L848 HydrophobicContact CE-CD1 4Å; M837-I866 HydrophobicContact CE-CG2 4.43Å; M837-M870 HydrophobicContact CE-CE 3.41Å; M837-M870 VanDerWaalsContact CE-CE 3.41Å; M837-M870 HydrophobicContact CE-CG 4.16Å; M837-M870 HydrophobicContact CE-SD 3.17Å; M837-M870 WeakPolarHBondContact CE-SD 3.31Å |
| 838 | T | 77.8 | Confident | 81.3 | Confident | 38 Ų | 38 | 57.8 Ų | 57.8 | 23% | 0.233 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -73 | -19.1 | 179.4 | 63 | 0 | 0 | 0 | 0 | 114.1 | T835 K836 W844 M870 L878 | T835-T838 PolarHBondContact O-OG1 3.07Å; K836-T838 VanDerWaalsContact C-N 3.27Å; K836-T838 PolarHBondContact O-N 2.94Å; T838-W844 HydrophobicContact CG2-CD2 3.97Å; T838-W844 HydrophobicContact CG2-CE3 4.28Å; T838-W844 HydrophobicContact CG2-CH2 3.98Å; T838-W844 HydrophobicContact CG2-CZ2 3.63Å; T838-W844 HydrophobicContact CG2-CZ3 4.29Å; T838-M870 HydrophobicContact CG2-CE 4.26Å; T838-L878 HydrophobicContact CG2-CD1 3.31Å |
| 839 | R | 78.5 | Confident | 81.3 | Confident | 207 Ų | 207 | 56.2 Ų | 56.2 | 78% | 0.781 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -88.8 | -27.3 | 177.2 | -62.7 | -179.5 | -178.9 | -174.7 | -0.3 | 112.5 | K836 M837 | K836-R839 PolarHBondContact O-N 3.33Å; M837-R839 VanDerWaalsContact C-N 3.28Å; M837-R839 PolarHBondContact O-N 2.95Å |
| 840 | V | 73.7 | Confident | 81.4 | Confident | 33 Ų | 33 | 59.5 Ų | 59.5 | 20% | 0.2 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -83.5 | -30.6 | -168.7 | 169.4 | 0 | 0 | 0 | 0 | 113 | K802 K836 M837 | K802-V840 HydrophobicContact CB-CG1 3.26Å; K802-V840 HydrophobicContact CD-CG1 4.19Å; K802-V840 HydrophobicContact CG-CG1 3.88Å; K836-V840 HydrophobicContact CG-CG2 3.9Å; K836-V840 WeakPolarHBondContact O-CG2 3.42Å; K836-V840 PolarHBondContact O-N 3.03Å; K836-V840 VanDerWaalsContact O-N 3.14Å; M837-V840 PolarHBondContact O-N 2.91Å |
| 841 | T | 76.3 | Confident | 81.5 | Confident | 12 Ų | 12 | 56.1 Ų | 56.1 | 7% | 0.074 | 26% | 0.263 | C | S | . | . | trans | -139.5 | 140.7 | 178.8 | 42.4 | 0 | 0 | 0 | 0 | 110.7 | K802 L806 | K802-T841 HydrophobicContact CD-CG2 4.29Å; K802-T841 HydrophobicContact CG-CG2 3.65Å; L806-T841 HydrophobicContact CD2-CG2 4.39Å; L806-T841 HydrophobicContact CG-CG2 4.48Å | ||
| 842 | V | 76.6 | Confident | 81.6 | Confident | 144 Ų | 144 | 52.1 Ų | 52.1 | 87% | 0.873 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -32.4 | 175 | -175.4 | 0 | 0 | 0 | 0 | 111.4 | W844 | V842-W844 VanDerWaalsContact C-N 3.31Å; V842-W844 PolarHBondContact O-N 3.45Å |
| 843 | Q | 81.9 | Confident | 81.8 | Confident | 106 Ų | 106 | 50.5 Ų | 50.5 | 50% | 0.495 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 11.3 | -175.9 | -66.4 | 173.6 | -42 | 0 | 0 | 114.7 | L845 E846 I847 | Q843-L845 PolarHBondContact O-N 3.05Å; Q843-E846 PolarHBondContact O-N 3.28Å; Q843-I847 HydrophobicContact CB-CD1 4.45Å; Q843-I847 WeakPolarHBondContact O-CG1 3.35Å; Q843-I847 PolarHBondContact O-N 3.43Å; Q843-I847 VanDerWaalsContact O-N 3.14Å |
| 844 | W | 83.6 | Confident | 81.9 | Confident | 11 Ų | 11 | 51.9 Ų | 51.9 | 4% | 0.042 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58 | -34.1 | -176.8 | 68.8 | -81 | 0 | 0 | 0 | 112.8 | M837 T838 V842 L848 M870 L878 K881 L882 | M837-W844 HydrophobicContact CE-CE3 4.37Å; T838-W844 HydrophobicContact CG2-CD2 3.97Å; T838-W844 HydrophobicContact CG2-CE3 4.28Å; T838-W844 HydrophobicContact CG2-CH2 3.98Å; T838-W844 HydrophobicContact CG2-CZ2 3.63Å; T838-W844 HydrophobicContact CG2-CZ3 4.29Å; V842-W844 VanDerWaalsContact C-N 3.31Å; V842-W844 PolarHBondContact O-N 3.45Å; W844-L848 HydrophobicContact CE3-CD1 3.6Å; W844-L848 HydrophobicContact CZ3-CD1 3.79Å; W844-L848 VanDerWaalsContact O-CG 3.29Å; W844-L848 WeakPolarHBondContact O-CG 3.26Å; W844-L848 PolarHBondContact O-N 3.49Å; W844-L848 VanDerWaalsContact O-N 3.1Å; W844-M870 HydrophobicContact CE3-CE 4.06Å; W844-M870 HydrophobicContact CH2-CE 4.23Å; W844-M870 HydrophobicContact CZ3-CE 3.57Å; W844-M870 HydrophobicContact CZ3-SD 4.38Å; W844-L878 HydrophobicContact CH2-CD1 4.34Å; W844-K881 HydrophobicContact CZ2-CD 4.46Å; W844-L882 HydrophobicContact CZ3-CD1 4.49Å |
| 845 | L | 83.2 | Confident | 82.1 | Confident | 45 Ų | 45 | 57.7 Ų | 57.7 | 24% | 0.236 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.1 | -46.1 | -179.7 | -173.4 | 66.3 | 0 | 0 | 0 | 111.8 | Q843 I847 L848 Q849 M887 | Q843-L845 PolarHBondContact O-N 3.05Å; L845-I847 VanDerWaalsContact C-N 3.31Å; L845-I847 PolarHBondContact O-N 3.03Å; L845-L848 PolarHBondContact O-N 3.19Å; L845-Q849 WeakPolarHBondContact O-CB 3.11Å; L845-Q849 VanDerWaalsContact O-CG 3.27Å; L845-Q849 WeakPolarHBondContact O-CG 3.49Å; L845-Q849 PolarHBondContact O-N 3.11Å; L845-M887 HydrophobicContact CD1-CG 4.09Å |
| 846 | E | 84.6 | Confident | 82.3 | Confident | 120 Ų | 120 | 58.2 Ų | 58.2 | 56% | 0.561 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -60.5 | -42.1 | 177.6 | -66.3 | 174.7 | 178.5 | 0 | 0 | 111.1 | Q843 Q849 R850 | Q843-E846 PolarHBondContact O-N 3.28Å; E846-Q849 PolarHBondContact O-N 3.48Å; E846-R850 WeakPolarHBondContact O-CB 3.35Å; E846-R850 PolarHBondContact O-N 3.31Å |
| 847 | I | 85.7 | Confident | 82.5 | Confident | 17 Ų | 17 | 59.3 Ų | 59.3 | 9% | 0.087 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64 | -46 | 177.7 | -64.1 | 167.7 | 0 | 0 | 0 | 110.5 | V805 L806 C808 Q843 L845 R850 L851 | V805-I847 HydrophobicContact CG1-CD1 3.99Å; L806-I847 HydrophobicContact CD2-CD1 4.39Å; C808-I847 HydrophobicContact CB-CG2 3.92Å; Q843-I847 HydrophobicContact CB-CD1 4.45Å; Q843-I847 WeakPolarHBondContact O-CG1 3.35Å; Q843-I847 PolarHBondContact O-N 3.43Å; Q843-I847 VanDerWaalsContact O-N 3.14Å; L845-I847 VanDerWaalsContact C-N 3.31Å; L845-I847 PolarHBondContact O-N 3.03Å; I847-R850 PolarHBondContact O-N 3.1Å; I847-L851 HydrophobicContact CG2-CD1 4.43Å; I847-L851 WeakPolarHBondContact O-CG 3.49Å; I847-L851 PolarHBondContact O-N 3.33Å |
| 848 | L | 84.8 | Confident | 82.7 | Confident | 5 Ų | 5 | 61.9 Ų | 61.9 | 3% | 0.026 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.6 | -40.7 | 178 | -72.6 | 178.4 | 0 | 0 | 0 | 112.7 | M837 W844 L845 R850 L851 C852 I866 M870 | M837-L848 HydrophobicContact CE-CD1 4Å; W844-L848 HydrophobicContact CE3-CD1 3.6Å; W844-L848 HydrophobicContact CZ3-CD1 3.79Å; W844-L848 VanDerWaalsContact O-CG 3.29Å; W844-L848 WeakPolarHBondContact O-CG 3.26Å; W844-L848 PolarHBondContact O-N 3.49Å; W844-L848 VanDerWaalsContact O-N 3.1Å; L845-L848 PolarHBondContact O-N 3.19Å; L848-R850 VanDerWaalsContact C-N 3.34Å; L848-L851 HydrophobicContact CD2-CD1 4.29Å; L848-L851 PolarHBondContact O-N 3.47Å; L848-C852 PolarHBondContact O-N 3.26Å; L848-C852 PolarHBondContact O-SG 2.87Å; L848-I866 HydrophobicContact CD2-CB 4.33Å; L848-I866 HydrophobicContact CD2-CG2 3.74Å; L848-M870 HydrophobicContact CD1-CE 4.5Å; L848-M870 HydrophobicContact CD1-SD 3.66Å |
| 849 | Q | 86.1 | Confident | 83.1 | Confident | 31 Ų | 31 | 60 Ų | 60 | 15% | 0.145 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.3 | -46.2 | 174.5 | -73.8 | 170.6 | -28.8 | 0 | 0 | 110.7 | L845 E846 L851 C852 L853 M887 I890 | L845-Q849 WeakPolarHBondContact O-CB 3.11Å; L845-Q849 VanDerWaalsContact O-CG 3.27Å; L845-Q849 WeakPolarHBondContact O-CG 3.49Å; L845-Q849 PolarHBondContact O-N 3.11Å; E846-Q849 PolarHBondContact O-N 3.48Å; Q849-L851 VanDerWaalsContact C-N 3.34Å; Q849-L851 PolarHBondContact O-N 3.18Å; Q849-C852 PolarHBondContact O-N 3.29Å; Q849-L853 WeakPolarHBondContact O-CB 3.44Å; Q849-L853 WeakPolarHBondContact O-CG 3.32Å; Q849-L853 PolarHBondContact O-N 2.9Å; Q849-M887 HydrophobicContact CB-SD 4.31Å; Q849-M887 HydrophobicContact CG-CG 4.25Å; Q849-M887 HydrophobicContact CG-SD 3.46Å; Q849-M887 WeakPolarHBondContact CG-SD 3.34Å; Q849-I890 HydrophobicContact CB-CD1 4.2Å; Q849-I890 HydrophobicContact CG-CD1 4Å |
| 850 | R | 85.6 | Confident | 83.5 | Confident | 116 Ų | 116 | 51.5 Ų | 51.5 | 44% | 0.438 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.4 | -42.2 | 176.6 | -170.3 | 178.6 | -175.7 | -173.3 | 2.6 | 112.1 | G809 D811 E846 I847 L848 H854 | G809-R850 PolarHBondContact O-NH1 3.37Å; D811-R850 IonicContact OD1-CZ 3.51Å; D811-R850 IonicContact OD1-NH1 2.7Å; D811-R850 PolarHBondContact OD1-NH1 2.86Å; D811-R850 IonicContact OD1-NH2 3.17Å; D811-R850 PolarHBondContact OD1-NH2 2.77Å; E846-R850 WeakPolarHBondContact O-CB 3.35Å; E846-R850 PolarHBondContact O-N 3.31Å; I847-R850 PolarHBondContact O-N 3.1Å; L848-R850 VanDerWaalsContact C-N 3.34Å; R850-H854 PolarHBondContact O-N 3.21Å |
| 851 | L | 85.2 | Confident | 84.3 | Confident | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.2 | -42.9 | 175.6 | -69.8 | 172.3 | 0 | 0 | 0 | 112.1 | C808 A820 I847 L848 Q849 L853 H854 V859 Q860 | C808-L851 HydrophobicContact CB-CD1 3.99Å; C808-L851 HydrophobicContact CB-CD2 4.31Å; A820-L851 HydrophobicContact CB-CD2 4.43Å; I847-L851 HydrophobicContact CG2-CD1 4.43Å; I847-L851 WeakPolarHBondContact O-CG 3.49Å; I847-L851 PolarHBondContact O-N 3.33Å; L848-L851 HydrophobicContact CD2-CD1 4.29Å; L848-L851 PolarHBondContact O-N 3.47Å; Q849-L851 VanDerWaalsContact C-N 3.34Å; Q849-L851 PolarHBondContact O-N 3.18Å; L851-L853 VanDerWaalsContact C-N 3.34Å; L851-H854 VanDerWaalsContact O-CB 3.3Å; L851-H854 WeakPolarHBondContact O-CB 3.48Å; L851-H854 PolarHBondContact O-N 3.35Å; L851-V859 HydrophobicContact CD2-CG1 3.47Å; L851-V859 VanDerWaalsContact CD2-CG1 3.47Å; L851-Q860 WeakPolarHBondContact O-CA 3.42Å |
| 852 | C | 84 | Confident | 84.9 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -72.7 | -27.3 | -177.6 | -64.7 | 0 | 0 | 0 | 0 | 113.1 | L848 Q849 Q860 L864 M887 I890 | L848-C852 PolarHBondContact O-N 3.26Å; L848-C852 PolarHBondContact O-SG 2.87Å; Q849-C852 PolarHBondContact O-N 3.29Å; C852-Q860 WeakPolarHBondContact O-CG 3.38Å; C852-Q860 PolarHBondContact O-NE2 3.29Å; C852-L864 HydrophobicContact CB-CD2 4.4Å; C852-M887 HydrophobicContact CB-CE 4.37Å; C852-I890 HydrophobicContact CB-CG2 3.92Å |
| 853 | L | 85.6 | Confident | 85.4 | Confident | 115 Ų | 115 | 48.8 Ų | 48.8 | 60% | 0.602 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | 1.3 | 176.3 | -69.8 | 167.6 | 0 | 0 | 0 | 113.4 | Q849 L851 I890 | Q849-L853 WeakPolarHBondContact O-CB 3.44Å; Q849-L853 WeakPolarHBondContact O-CG 3.32Å; Q849-L853 PolarHBondContact O-N 2.9Å; L851-L853 VanDerWaalsContact C-N 3.34Å; L853-I890 HydrophobicContact CD1-CD1 3.85Å; L853-I890 HydrophobicContact CD1-CG1 4.32Å; L853-I890 HydrophobicContact CD2-CD1 4.48Å; L853-I890 HydrophobicContact CD2-CG1 4.16Å; L853-I890 HydrophobicContact CD2-CG2 4.04Å; L853-I890 HydrophobicContact CG-CD1 4.06Å; L853-I890 HydrophobicContact CG-CG1 4.29Å; L853-I890 HydrophobicContact CG-CG2 4.21Å |
| 854 | H | 84.7 | Confident | 85.7 | Confident | 31 Ų | 31 | 43.7 Ų | 43.7 | 14% | 0.144 | 22% | 0.217 | C | C | . | . | trans | -63.9 | 143.2 | -174.9 | -157.1 | -86.5 | 0 | 0 | 0 | 112.3 | Q816 R850 L851 N856 V859 | Q816-H854 PolarHBondContact OE1-NE2 2.98Å; R850-H854 PolarHBondContact O-N 3.21Å; L851-H854 VanDerWaalsContact O-CB 3.3Å; L851-H854 WeakPolarHBondContact O-CB 3.48Å; L851-H854 PolarHBondContact O-N 3.35Å; H854-N856 VanDerWaalsContact C-N 3.31Å; H854-N856 VanDerWaalsContact ND1-CB 3.34Å; H854-N856 WeakPolarHBondContact ND1-CB 3.47Å; H854-N856 PolarHBondContact ND1-N 3.48Å; H854-N856 PolarHBondContact O-N 3.22Å; H854-V859 HydrophobicContact CB-CB 4.2Å; H854-V859 HydrophobicContact CB-CG1 3.96Å | ||
| 855 | T | 83 | Confident | 86 | Confident | 121 Ų | 121 | 44.8 Ų | 44.8 | 74% | 0.742 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -67.6 | -33.1 | 179.9 | 53.7 | 0 | 0 | 0 | 0 | 112.3 | L857 | T855-L857 PolarHBondContact O-N 2.67Š|
| 856 | N | 85.5 | Confident | 86.2 | Confident | 41 Ų | 41 | 42.7 Ų | 42.7 | 22% | 0.219 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -76.5 | 116.7 | 176.3 | -166.8 | -30.5 | 0 | 0 | 0 | 111.6 | E813 H854 S858 V859 Q860 | E813-N856 PolarHBondContact OE2-ND2 3.5Å; H854-N856 VanDerWaalsContact C-N 3.31Å; H854-N856 VanDerWaalsContact ND1-CB 3.34Å; H854-N856 WeakPolarHBondContact ND1-CB 3.47Å; H854-N856 PolarHBondContact ND1-N 3.48Å; H854-N856 PolarHBondContact O-N 3.22Å; N856-S858 PolarHBondContact O-N 3.46Å; N856-S858 WeakPolarHBondContact OD1-CB 3.35Å; N856-S858 PolarHBondContact OD1-N 3.03Å; N856-S858 VanDerWaalsContact OD1-N 3.08Å; N856-V859 HydrophobicContact CB-CB 4.49Å; N856-V859 HydrophobicContact CB-CG2 4.2Å; N856-V859 PolarHBondContact O-N 3.16Å; N856-V859 VanDerWaalsContact O-N 3.14Å; N856-Q860 PolarHBondContact O-N 3.21Å |
| 857 | L | 85.2 | Confident | 86.3 | Confident | 49 Ų | 49 | 37 Ų | 37 | 26% | 0.257 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -60.6 | -31 | -177 | -58.7 | 173.2 | 0 | 0 | 0 | 113.3 | T855 H861 K902 R903 | T855-L857 PolarHBondContact O-N 2.67Å; L857-H861 VanDerWaalsContact O-CB 3.29Å; L857-H861 WeakPolarHBondContact O-CB 3.29Å; L857-H861 PolarHBondContact O-N 2.92Å; L857-K902 VanDerWaalsContact CD1-O 3.31Å; L857-K902 WeakPolarHBondContact CD1-O 3.48Å; L857-R903 HydrophobicContact CD1-CG 3.79Å; L857-R903 HydrophobicContact CD2-CG 3.75Å; L857-R903 HydrophobicContact CG-CG 4.44Å |
| 858 | S | 84.3 | Confident | 86.5 | Confident | 55 Ų | 55 | 39.5 Ų | 39.5 | 39% | 0.385 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -69.3 | -36.8 | 178.3 | -85.6 | 0 | 0 | 0 | 0 | 112.7 | N856 R862 | N856-S858 PolarHBondContact O-N 3.46Å; N856-S858 WeakPolarHBondContact OD1-CB 3.35Å; N856-S858 PolarHBondContact OD1-N 3.03Å; N856-S858 VanDerWaalsContact OD1-N 3.08Å; S858-R862 VanDerWaalsContact CB-NH1 3.35Å; S858-R862 WeakPolarHBondContact O-CD 3.32Å; S858-R862 WeakPolarHBondContact O-CG 3.33Å; S858-R862 PolarHBondContact O-N 3.3Å; S858-R862 PolarHBondContact O-NH1 2.64Å |
| 859 | V | 86.9 | Confident | 86.6 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -73.3 | -47 | 175.7 | 178.9 | 0 | 0 | 0 | 0 | 109.2 | Q816 I817 L851 H854 N856 H861 R862 G863 | Q816-V859 HydrophobicContact CB-CG2 4.38Å; I817-V859 HydrophobicContact CD1-CG2 4.27Å; I817-V859 HydrophobicContact CG1-CG2 3.44Å; I817-V859 VanDerWaalsContact CG1-CG2 3.44Å; L851-V859 HydrophobicContact CD2-CG1 3.47Å; L851-V859 VanDerWaalsContact CD2-CG1 3.47Å; H854-V859 HydrophobicContact CB-CB 4.2Å; H854-V859 HydrophobicContact CB-CG1 3.96Å; N856-V859 HydrophobicContact CB-CB 4.49Å; N856-V859 HydrophobicContact CB-CG2 4.2Å; N856-V859 PolarHBondContact O-N 3.16Å; N856-V859 VanDerWaalsContact O-N 3.14Å; V859-H861 PolarHBondContact O-N 3.19Å; V859-R862 PolarHBondContact O-N 3.42Å; V859-G863 PolarHBondContact O-N 2.85Å |
| 860 | Q | 87.9 | Confident | 86.5 | Confident | 28 Ų | 28 | 38.7 Ų | 38.7 | 13% | 0.131 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56 | -48.7 | 177.7 | 178.5 | 174.2 | 63.7 | 0 | 0 | 112.2 | L851 C852 N856 R862 G863 L864 P906 | L851-Q860 WeakPolarHBondContact O-CA 3.42Å; C852-Q860 WeakPolarHBondContact O-CG 3.38Å; C852-Q860 PolarHBondContact O-NE2 3.29Å; N856-Q860 PolarHBondContact O-N 3.21Å; Q860-R862 PolarHBondContact O-N 3.33Å; Q860-G863 PolarHBondContact O-N 2.94Å; Q860-L864 HydrophobicContact CG-CD1 4Å; Q860-L864 VanDerWaalsContact O-CG 3.26Å; Q860-L864 WeakPolarHBondContact O-CG 3.3Å; Q860-L864 PolarHBondContact O-N 2.85Å; Q860-P906 HydrophobicContact CG-CB 4.34Å |
| 861 | H | 89.1 | Confident | 86.4 | Confident | 57 Ų | 57 | 33.2 Ų | 33.2 | 26% | 0.264 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -57.7 | -47.5 | 177.3 | 179.1 | 71.3 | 0 | 0 | 0 | 112.1 | L857 V859 G863 L864 V865 D905 P906 | L857-H861 VanDerWaalsContact O-CB 3.29Å; L857-H861 WeakPolarHBondContact O-CB 3.29Å; L857-H861 PolarHBondContact O-N 2.92Å; V859-H861 PolarHBondContact O-N 3.19Å; H861-G863 PolarHBondContact O-N 2.86Å; H861-L864 PolarHBondContact O-N 3.2Å; H861-V865 WeakPolarHBondContact O-CG2 3.41Å; H861-V865 PolarHBondContact O-N 3.01Å; H861-D905 PolarHBondContact ND1-O 3.24Å; H861-P906 HydrophobicContact CB-CG 4.1Å |
| 862 | R | 88.5 | Confident | 86.2 | Confident | 74 Ų | 74 | 35.9 Ų | 35.9 | 28% | 0.279 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -64.3 | -40.5 | 179.4 | -71.4 | 169.7 | 175.6 | 81.1 | -3 | 112.1 | I817 A820 S858 V859 Q860 V865 I866 | I817-R862 WeakPolarHBondContact O-CD 3.43Å; I817-R862 PolarHBondContact O-NE 2.96Å; A820-R862 HydrophobicContact CB-CB 3.94Å; S858-R862 VanDerWaalsContact CB-NH1 3.35Å; S858-R862 WeakPolarHBondContact O-CD 3.32Å; S858-R862 WeakPolarHBondContact O-CG 3.33Å; S858-R862 PolarHBondContact O-N 3.3Å; S858-R862 PolarHBondContact O-NH1 2.64Å; V859-R862 PolarHBondContact O-N 3.42Å; Q860-R862 PolarHBondContact O-N 3.33Å; R862-V865 PolarHBondContact O-N 2.94Å; R862-I866 WeakPolarHBondContact O-CG1 3.38Å; R862-I866 PolarHBondContact O-N 3.14Å |
| 863 | G | 87.7 | Confident | 85.9 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58 | -46.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V859 Q860 H861 V865 I866 V867 | V859-G863 PolarHBondContact O-N 2.85Å; Q860-G863 PolarHBondContact O-N 2.94Å; H861-G863 PolarHBondContact O-N 2.86Å; G863-V865 VanDerWaalsContact C-N 3.34Å; G863-V865 PolarHBondContact O-N 3.26Å; G863-I866 WeakPolarHBondContact O-CB 3.44Å; G863-I866 PolarHBondContact O-N 3.35Å; G863-V867 WeakPolarHBondContact O-CG2 3.42Å; G863-V867 PolarHBondContact O-N 3.21Å |
| 864 | L | 88.3 | Confident | 85.2 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.5 | -36.4 | 177.4 | -68.4 | 169.5 | 0 | 0 | 0 | 112.7 | C852 Q860 H861 V867 Y868 L891 I894 P906 V909 A910 | C852-L864 HydrophobicContact CB-CD2 4.4Å; Q860-L864 HydrophobicContact CG-CD1 4Å; Q860-L864 VanDerWaalsContact O-CG 3.26Å; Q860-L864 WeakPolarHBondContact O-CG 3.3Å; Q860-L864 PolarHBondContact O-N 2.85Å; H861-L864 PolarHBondContact O-N 3.2Å; L864-V867 WeakPolarHBondContact O-CB 3.46Å; L864-V867 PolarHBondContact O-N 3.44Å; L864-Y868 PolarHBondContact O-N 3.4Å; L864-L891 HydrophobicContact CD2-CD2 3.46Å; L864-L891 VanDerWaalsContact CD2-CD2 3.46Å; L864-I894 HydrophobicContact CD1-CD1 4.41Å; L864-I894 HydrophobicContact CD1-CG2 4.28Å; L864-I894 HydrophobicContact CD2-CD1 4.2Å; L864-P906 HydrophobicContact CD1-CB 3.86Å; L864-P906 WeakPolarHBondContact CD1-O 3.37Å; L864-V909 HydrophobicContact CB-CB 4.38Å; L864-V909 HydrophobicContact CB-CG1 3.78Å; L864-A910 HydrophobicContact CD1-CB 4.4Å; L864-A910 HydrophobicContact CD2-CB 4.47Å |
| 865 | V | 89.4 | Confident | 84.8 | Confident | 34 Ų | 34 | 38.1 Ų | 38.1 | 21% | 0.206 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.7 | -39.1 | 174.3 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | A824 H861 R862 G863 V867 Y868 N869 V909 | A824-V865 HydrophobicContact CB-CG1 4.1Å; H861-V865 WeakPolarHBondContact O-CG2 3.41Å; H861-V865 PolarHBondContact O-N 3.01Å; R862-V865 PolarHBondContact O-N 2.94Å; G863-V865 VanDerWaalsContact C-N 3.34Å; G863-V865 PolarHBondContact O-N 3.26Å; V865-V867 VanDerWaalsContact C-N 3.32Å; V865-V867 PolarHBondContact O-N 3.46Å; V865-Y868 WeakPolarHBondContact O-CB 3.34Å; V865-Y868 PolarHBondContact O-N 3.31Å; V865-N869 PolarHBondContact O-N 3.06Å; V865-N869 PolarHBondContact O-ND2 2.86Å; V865-V909 HydrophobicContact CG2-CG1 4.13Å; V865-V909 HydrophobicContact CG2-CG2 4.17Å |
| 866 | I | 88.4 | Confident | 84.5 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.8 | -45.9 | 173.6 | -65.2 | 157.9 | 0 | 0 | 0 | 110 | A820 L823 A824 T827 M837 L848 R862 G863 Y868 N869 M870 | A820-I866 HydrophobicContact CB-CD1 4.43Å; L823-I866 HydrophobicContact CB-CD1 4.05Å; L823-I866 HydrophobicContact CD2-CD1 3.89Å; L823-I866 HydrophobicContact CG-CD1 3.96Å; L823-I866 HydrophobicContact CG-CG1 4.29Å; A824-I866 HydrophobicContact CB-CD1 4.5Å; A824-I866 HydrophobicContact CB-CG1 3.83Å; T827-I866 HydrophobicContact CG2-CG2 4.43Å; M837-I866 HydrophobicContact CE-CG2 4.43Å; L848-I866 HydrophobicContact CD2-CB 4.33Å; L848-I866 HydrophobicContact CD2-CG2 3.74Å; R862-I866 WeakPolarHBondContact O-CG1 3.38Å; R862-I866 PolarHBondContact O-N 3.14Å; G863-I866 WeakPolarHBondContact O-CB 3.44Å; G863-I866 PolarHBondContact O-N 3.35Å; I866-Y868 VanDerWaalsContact C-N 3.33Å; I866-Y868 PolarHBondContact O-N 2.89Å; I866-N869 PolarHBondContact O-N 3.39Å; I866-M870 HydrophobicContact CG2-CG 4.49Å; I866-M870 HydrophobicContact CG2-SD 4.32Å; I866-M870 WeakPolarHBondContact O-CG 3.44Å; I866-M870 PolarHBondContact O-N 3.12Å |
| 867 | V | 87.2 | Confident | 84.1 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60 | -44 | 176.7 | 173 | 0 | 0 | 0 | 0 | 111.2 | G863 L864 V865 N869 M870 L871 L882 M887 L891 | G863-V867 WeakPolarHBondContact O-CG2 3.42Å; G863-V867 PolarHBondContact O-N 3.21Å; L864-V867 WeakPolarHBondContact O-CB 3.46Å; L864-V867 PolarHBondContact O-N 3.44Å; V865-V867 VanDerWaalsContact C-N 3.32Å; V865-V867 PolarHBondContact O-N 3.46Å; V867-N869 PolarHBondContact O-N 3.48Å; V867-M870 PolarHBondContact O-N 2.88Å; V867-L871 HydrophobicContact CG1-CD1 4.18Å; V867-L871 WeakPolarHBondContact O-CG 3.5Å; V867-L871 PolarHBondContact O-N 3.47Å; V867-L882 HydrophobicContact CG1-CD1 4.45Å; V867-L882 HydrophobicContact CG1-CD2 3.76Å; V867-M887 HydrophobicContact CG1-CE 4.25Å; V867-M887 HydrophobicContact CG2-CE 3.58Å; V867-L891 HydrophobicContact CG1-CD1 4.25Å |
| 868 | Y | 88.5 | Confident | 83.8 | Confident | 71 Ų | 71 | 41.6 Ų | 41.6 | 28% | 0.278 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -57.2 | -47.8 | 174.3 | 177.3 | -104.7 | 0 | 0 | 0 | 111.9 | L864 V865 I866 M870 L871 N872 T912 C913 | L864-Y868 PolarHBondContact O-N 3.4Å; V865-Y868 WeakPolarHBondContact O-CB 3.34Å; V865-Y868 PolarHBondContact O-N 3.31Å; I866-Y868 VanDerWaalsContact C-N 3.33Å; I866-Y868 PolarHBondContact O-N 2.89Å; Y868-M870 VanDerWaalsContact C-N 3.29Å; Y868-M870 PolarHBondContact O-N 3.35Å; Y868-L871 PolarHBondContact O-N 3.41Å; Y868-N872 WeakPolarHBondContact O-CB 3.43Å; Y868-N872 PolarHBondContact O-N 2.94Å; Y868-T912 HydrophobicContact CD2-CG2 4.21Å; Y868-T912 HydrophobicContact CE2-CG2 3.65Å; Y868-C913 VanDerWaalsContact CB-SG 3.53Å |
| 869 | N | 88.1 | Confident | 83.5 | Confident | 18 Ų | 18 | 39 Ų | 39 | 10% | 0.096 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.1 | -35.2 | 179.8 | -66.4 | -21.4 | 0 | 0 | 0 | 112.1 | A824 T827 A828 V865 I866 V867 N872 S873 | A824-N869 PolarHBondContact O-ND2 3.17Å; T827-N869 PolarHBondContact OG1-ND2 3.19Å; A828-N869 PolarHBondContact N-ND2 3.21Å; V865-N869 PolarHBondContact O-N 3.06Å; V865-N869 PolarHBondContact O-ND2 2.86Å; I866-N869 PolarHBondContact O-N 3.39Å; V867-N869 PolarHBondContact O-N 3.48Å; N869-N872 CarbonylContact O-C 3.59Å; N869-N872 PolarHBondContact O-N 3.46Å; N869-S873 PolarHBondContact O-N 2.94Å; N869-S873 VanDerWaalsContact O-N 3.17Å |
| 870 | M | 83.6 | Confident | 83.2 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.8 | -42.2 | 173.7 | -68.4 | -178.2 | 79.8 | 0 | 0 | 112.1 | C834 M837 T838 W844 L848 I866 V867 Y868 N872 S873 L878 L882 | C834-M870 HydrophobicContact CB-CG 4.23Å; M837-M870 HydrophobicContact CE-CE 3.41Å; M837-M870 VanDerWaalsContact CE-CE 3.41Å; M837-M870 HydrophobicContact CE-CG 4.16Å; M837-M870 HydrophobicContact CE-SD 3.17Å; M837-M870 WeakPolarHBondContact CE-SD 3.31Å; T838-M870 HydrophobicContact CG2-CE 4.26Å; W844-M870 HydrophobicContact CE3-CE 4.06Å; W844-M870 HydrophobicContact CH2-CE 4.23Å; W844-M870 HydrophobicContact CZ3-CE 3.57Å; W844-M870 HydrophobicContact CZ3-SD 4.38Å; L848-M870 HydrophobicContact CD1-CE 4.5Å; L848-M870 HydrophobicContact CD1-SD 3.66Å; I866-M870 HydrophobicContact CG2-CG 4.49Å; I866-M870 HydrophobicContact CG2-SD 4.32Å; I866-M870 WeakPolarHBondContact O-CG 3.44Å; I866-M870 PolarHBondContact O-N 3.12Å; V867-M870 PolarHBondContact O-N 2.88Å; Y868-M870 VanDerWaalsContact C-N 3.29Å; Y868-M870 PolarHBondContact O-N 3.35Å; M870-N872 PolarHBondContact O-N 3.23Å; M870-S873 VanDerWaalsContact O-CB 3.29Å; M870-S873 WeakPolarHBondContact O-CB 3.46Å; M870-S873 PolarHBondContact O-N 3.28Å; M870-S873 PolarHBondContact O-OG 3.19Å; M870-L878 HydrophobicContact CE-CD1 3.78Å; M870-L878 HydrophobicContact CE-CD2 3.94Å; M870-L878 HydrophobicContact CE-CG 4.13Å; M870-L882 HydrophobicContact CB-CD1 4.04Å; M870-L882 HydrophobicContact CE-CD1 4.1Å; M870-L882 HydrophobicContact SD-CD1 3.91Å |
| 871 | L | 82.7 | Confident | 82.9 | Confident | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.6 | -30 | 174.5 | -69.9 | 173.9 | 0 | 0 | 0 | 112.3 | V867 Y868 S873 A879 L882 I883 C913 | V867-L871 HydrophobicContact CG1-CD1 4.18Å; V867-L871 WeakPolarHBondContact O-CG 3.5Å; V867-L871 PolarHBondContact O-N 3.47Å; Y868-L871 PolarHBondContact O-N 3.41Å; L871-S873 VanDerWaalsContact C-N 3.29Å; L871-A879 HydrophobicContact CD2-CB 4.09Å; L871-L882 HydrophobicContact CD2-CD2 4.32Å; L871-I883 HydrophobicContact CD2-CD1 3.99Å; L871-I883 HydrophobicContact CD2-CG1 3.98Å; L871-C913 HydrophobicContact CD1-CB 4Å |
| 872 | N | 82.4 | Confident | 82.5 | Confident | 57 Ų | 57 | 45.4 Ų | 45.4 | 31% | 0.305 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 3.9 | 176.5 | -162.7 | 38.9 | 0 | 0 | 0 | 113.7 | Y868 N869 M870 K916 | Y868-N872 WeakPolarHBondContact O-CB 3.43Å; Y868-N872 PolarHBondContact O-N 2.94Å; N869-N872 CarbonylContact O-C 3.59Å; N869-N872 PolarHBondContact O-N 3.46Å; M870-N872 PolarHBondContact O-N 3.23Å; N872-K916 WeakPolarHBondContact OD1-CE 3.44Å; N872-K916 PolarHBondContact OD1-NZ 3.46Å |
| 873 | S | 77.6 | Confident | 82 | Confident | 13 Ų | 13 | 42.6 Ų | 42.6 | 9% | 0.091 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -71.3 | 156.3 | 173.4 | 73.4 | 0 | 0 | 0 | 0 | 110.9 | N869 M870 L871 D875 | N869-S873 PolarHBondContact O-N 2.94Å; N869-S873 VanDerWaalsContact O-N 3.17Å; M870-S873 VanDerWaalsContact O-CB 3.29Å; M870-S873 WeakPolarHBondContact O-CB 3.46Å; M870-S873 PolarHBondContact O-N 3.28Å; M870-S873 PolarHBondContact O-OG 3.19Å; L871-S873 VanDerWaalsContact C-N 3.29Å; S873-D875 PolarHBondContact O-N 3.42Å; S873-D875 VanDerWaalsContact O-N 3.14Å |
| 874 | D | 71.2 | Confident | 81.7 | Confident | 135 Ų | 135 | 49.3 Ų | 49.3 | 72% | 0.722 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -74.9 | 2.7 | -178.1 | -57.1 | -36.2 | 0 | 0 | 0 | 112.8 | K831 | K831-D874 VanDerWaalsContact CD-OD2 3.31Å; K831-D874 WeakPolarHBondContact CD-OD2 3.39Å; K831-D874 IonicContact NZ-OD1 3.8Å; K831-D874 PolarHBondContact NZ-OD1 3.2Å; K831-D874 IonicContact NZ-OD2 3.9Å; K831-D874 PolarHBondContact NZ-OD2 3.46Å |
| 875 | D | 75.6 | Confident | 81.2 | Confident | 46 Ų | 46 | 50.5 Ų | 50.5 | 25% | 0.246 | 24% | 0.244 | C | C | . | . | trans | -99.4 | 101 | -176.2 | -170.3 | -13 | 0 | 0 | 0 | 111.2 | T835 S873 E877 L878 A879 | T835-D875 WeakPolarHBondContact CG2-OD2 3.43Å; T835-D875 PolarHBondContact OG1-OD2 3.04Å; S873-D875 PolarHBondContact O-N 3.42Å; S873-D875 VanDerWaalsContact O-N 3.14Å; D875-E877 VanDerWaalsContact C-N 3.31Å; D875-E877 PolarHBondContact O-N 3.3Å; D875-E877 PolarHBondContact OD1-N 3.03Å; D875-L878 HydrophobicContact CB-CB 4.07Å; D875-L878 PolarHBondContact O-N 3.13Å; D875-L878 PolarHBondContact OD1-N 2.89Å; D875-A879 PolarHBondContact O-N 3.24Å | ||
| 876 | F | 76 | Confident | 80.8 | Confident | 117 Ų | 117 | 54.8 Ų | 54.8 | 51% | 0.513 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.8 | -31.1 | -178.4 | -175.7 | -98.5 | 0 | 0 | 0 | 113.1 | A879 K880 L922 | F876-A879 PolarHBondContact O-N 3.03Å; F876-K880 WeakPolarHBondContact O-CB 3.32Å; F876-K880 PolarHBondContact O-N 2.7Å; F876-L922 HydrophobicContact CE2-CD2 4.25Å; F876-L922 HydrophobicContact CZ-CD2 3.93Å |
| 877 | E | 77.1 | Confident | 80.5 | Confident | 158 Ų | 158 | 54.9 Ų | 54.9 | 74% | 0.738 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -69.4 | -36.5 | 179.6 | -67.3 | -172.7 | 168.9 | 0 | 0 | 111.4 | D875 K880 K881 | D875-E877 VanDerWaalsContact C-N 3.31Å; D875-E877 PolarHBondContact O-N 3.3Å; D875-E877 PolarHBondContact OD1-N 3.03Å; E877-K880 PolarHBondContact O-N 3.13Å; E877-K881 WeakPolarHBondContact O-CB 3.32Å; E877-K881 PolarHBondContact O-N 2.74Å |
| 878 | L | 79.6 | Confident | 80.2 | Confident | 8 Ų | 8 | 57.3 Ų | 57.3 | 4% | 0.042 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.8 | -47.5 | 175.3 | -179.5 | 60.1 | 0 | 0 | 0 | 111.7 | C834 T838 W844 M870 D875 K880 K881 L882 | C834-L878 HydrophobicContact CB-CD2 3.99Å; T838-L878 HydrophobicContact CG2-CD1 3.31Å; W844-L878 HydrophobicContact CH2-CD1 4.34Å; M870-L878 HydrophobicContact CE-CD1 3.78Å; M870-L878 HydrophobicContact CE-CD2 3.94Å; M870-L878 HydrophobicContact CE-CG 4.13Å; D875-L878 HydrophobicContact CB-CB 4.07Å; D875-L878 PolarHBondContact O-N 3.13Å; D875-L878 PolarHBondContact OD1-N 2.89Å; L878-K880 VanDerWaalsContact C-N 3.32Å; L878-K880 PolarHBondContact O-N 2.88Å; L878-K881 PolarHBondContact O-N 3.22Å; L878-L882 WeakPolarHBondContact O-CB 3.35Å; L878-L882 PolarHBondContact O-N 3.48Å |
| 879 | A | 78.1 | Confident | 79.9 | Confident | 2 Ų | 2 | 60.5 Ų | 60.5 | 2% | 0.017 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | L871 D875 F876 L882 I883 L920 L922 | L871-A879 HydrophobicContact CD2-CB 4.09Å; D875-A879 PolarHBondContact O-N 3.24Å; F876-A879 PolarHBondContact O-N 3.03Å; A879-L882 PolarHBondContact O-N 3.47Å; A879-I883 WeakPolarHBondContact O-CG1 3.39Å; A879-I883 PolarHBondContact O-N 3.05Å; A879-I883 VanDerWaalsContact O-N 3.08Å; A879-L920 HydrophobicContact CB-CD1 4.17Å; A879-L922 HydrophobicContact CB-CD1 3.96Å |
| 880 | K | 80.3 | Confident | 79.7 | Confident | 92 Ų | 92 | 60.4 Ų | 60.4 | 40% | 0.4 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.1 | -50.1 | 175.3 | -177.3 | 177.5 | 173.2 | -177.6 | 0 | 112 | F876 E877 L878 L882 I883 E884 L922 | F876-K880 WeakPolarHBondContact O-CB 3.32Å; F876-K880 PolarHBondContact O-N 2.7Å; E877-K880 PolarHBondContact O-N 3.13Å; L878-K880 VanDerWaalsContact C-N 3.32Å; L878-K880 PolarHBondContact O-N 2.88Å; K880-L882 PolarHBondContact O-N 2.9Å; K880-I883 PolarHBondContact O-N 3.4Å; K880-E884 WeakPolarHBondContact CE-OE1 3.23Å; K880-E884 HydrophobicContact CG-CG 4.31Å; K880-E884 IonicContact NZ-OE1 3.46Å; K880-E884 WeakPolarHBondContact O-CB 3.21Å; K880-E884 WeakPolarHBondContact O-CG 3.31Å; K880-E884 PolarHBondContact O-N 3.34Å; K880-L922 HydrophobicContact CB-CD2 4.15Å; K880-L922 HydrophobicContact CG-CD2 4.3Å |
| 881 | K | 80.7 | Confident | 79.6 | Confident | 126 Ų | 126 | 60.7 Ų | 60.7 | 55% | 0.548 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.6 | -34.4 | 178.9 | -172.2 | 176.8 | -178.2 | 175.8 | 0 | 112.7 | W844 E877 L878 | W844-K881 HydrophobicContact CZ2-CD 4.46Å; E877-K881 WeakPolarHBondContact O-CB 3.32Å; E877-K881 PolarHBondContact O-N 2.74Å; L878-K881 PolarHBondContact O-N 3.22Å |
| 882 | L | 81.2 | Confident | 79.6 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -70.4 | -42.1 | 177.7 | -160.2 | 150 | 0 | 0 | 0 | 111 | W844 V867 M870 L871 L878 A879 K880 S885 M887 | W844-L882 HydrophobicContact CZ3-CD1 4.49Å; V867-L882 HydrophobicContact CG1-CD1 4.45Å; V867-L882 HydrophobicContact CG1-CD2 3.76Å; M870-L882 HydrophobicContact CB-CD1 4.04Å; M870-L882 HydrophobicContact CE-CD1 4.1Å; M870-L882 HydrophobicContact SD-CD1 3.91Å; L871-L882 HydrophobicContact CD2-CD2 4.32Å; L878-L882 WeakPolarHBondContact O-CB 3.35Å; L878-L882 PolarHBondContact O-N 3.48Å; A879-L882 PolarHBondContact O-N 3.47Å; K880-L882 PolarHBondContact O-N 2.9Å; L882-S885 PolarHBondContact O-N 3.44Å; L882-S885 PolarHBondContact O-OG 3.43Å; L882-M887 HydrophobicContact CD2-CB 3.93Å; L882-M887 HydrophobicContact CD2-CG 4.18Å |
| 883 | I | 79.1 | Confident | 79.7 | Confident | 15 Ų | 15 | 64.3 Ų | 64.3 | 8% | 0.077 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -77.1 | -30.4 | -179.4 | -66.2 | -168.7 | 0 | 0 | 0 | 113.3 | L871 A879 K880 S885 L888 A917 L922 V923 | L871-I883 HydrophobicContact CD2-CD1 3.99Å; L871-I883 HydrophobicContact CD2-CG1 3.98Å; A879-I883 WeakPolarHBondContact O-CG1 3.39Å; A879-I883 PolarHBondContact O-N 3.05Å; A879-I883 VanDerWaalsContact O-N 3.08Å; K880-I883 PolarHBondContact O-N 3.4Å; I883-S885 PolarHBondContact O-N 3.07Å; I883-L888 HydrophobicContact CG2-CB 4.47Å; I883-L888 HydrophobicContact CG2-CD1 4.4Å; I883-L888 HydrophobicContact CG2-CD2 4.14Å; I883-A917 HydrophobicContact CD1-CB 3.32Å; I883-L922 HydrophobicContact CD1-CB 3.73Å; I883-L922 HydrophobicContact CD1-CD1 3.71Å; I883-L922 HydrophobicContact CD1-CG 4.36Å; I883-L922 HydrophobicContact CG1-CD1 4.41Å; I883-L922 HydrophobicContact CG2-CB 4.29Å; I883-V923 HydrophobicContact CD1-CG2 4.32Å; I883-V923 HydrophobicContact CG2-CG2 3.96Å |
| 884 | E | 79.8 | Confident | 79.9 | Confident | 140 Ų | 140 | 64.6 Ų | 64.6 | 65% | 0.654 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -10 | 173.3 | -73.6 | 177.9 | 164.8 | 0 | 0 | 113.2 | K880 | K880-E884 WeakPolarHBondContact CE-OE1 3.23Å; K880-E884 HydrophobicContact CG-CG 4.31Å; K880-E884 IonicContact NZ-OE1 3.46Å; K880-E884 WeakPolarHBondContact O-CB 3.21Å; K880-E884 WeakPolarHBondContact O-CG 3.31Å; K880-E884 PolarHBondContact O-N 3.34Å |
| 885 | S | 79.6 | Confident | 80.1 | Confident | 25 Ų | 25 | 58.7 Ų | 58.7 | 18% | 0.175 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -91.7 | 174.3 | 176 | 79.3 | 0 | 0 | 0 | 0 | 112.9 | L882 I883 M887 L888 | L882-S885 PolarHBondContact O-N 3.44Å; L882-S885 PolarHBondContact O-OG 3.43Å; I883-S885 PolarHBondContact O-N 3.07Å; S885-M887 PolarHBondContact O-N 2.91Å; S885-M887 WeakPolarHBondContact OG-CB 3.26Å; S885-M887 WeakPolarHBondContact OG-CG 3.32Å; S885-M887 PolarHBondContact OG-N 3.4Å; S885-L888 PolarHBondContact O-N 3.18Å |
| 886 | E | 80.8 | Confident | 80.3 | Confident | 125 Ų | 125 | 63 Ų | 63 | 58% | 0.584 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -10.4 | 175.6 | -58.8 | 176.2 | 172.7 | 0 | 0 | 113.7 | L888 E889 I890 | E886-L888 PolarHBondContact O-N 3Å; E886-E889 WeakPolarHBondContact O-CB 3.4Å; E886-E889 PolarHBondContact O-N 3.46Å; E886-E889 VanDerWaalsContact O-N 3.12Å; E886-I890 WeakPolarHBondContact O-CG1 3.47Å; E886-I890 PolarHBondContact O-N 3.4Å; E886-I890 VanDerWaalsContact O-N 3.13Å |
| 887 | M | 81.5 | Confident | 80.4 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57 | -34 | 175 | -71.8 | -59.2 | -54.1 | 0 | 0 | 113.6 | L845 Q849 C852 V867 L882 S885 E889 I890 L891 | L845-M887 HydrophobicContact CD1-CG 4.09Å; Q849-M887 HydrophobicContact CB-SD 4.31Å; Q849-M887 HydrophobicContact CG-CG 4.25Å; Q849-M887 HydrophobicContact CG-SD 3.46Å; Q849-M887 WeakPolarHBondContact CG-SD 3.34Å; C852-M887 HydrophobicContact CB-CE 4.37Å; V867-M887 HydrophobicContact CG1-CE 4.25Å; V867-M887 HydrophobicContact CG2-CE 3.58Å; L882-M887 HydrophobicContact CD2-CB 3.93Å; L882-M887 HydrophobicContact CD2-CG 4.18Å; S885-M887 PolarHBondContact O-N 2.91Å; S885-M887 WeakPolarHBondContact OG-CB 3.26Å; S885-M887 WeakPolarHBondContact OG-CG 3.32Å; S885-M887 PolarHBondContact OG-N 3.4Å; M887-E889 VanDerWaalsContact C-N 3.32Å; M887-E889 PolarHBondContact O-N 2.93Å; M887-I890 PolarHBondContact O-N 3.31Å; M887-I890 HydrophobicContact SD-CD1 4.07Å; M887-L891 WeakPolarHBondContact O-CB 3.46Å; M887-L891 VanDerWaalsContact O-CG 3.26Å; M887-L891 WeakPolarHBondContact O-CG 3.33Å; M887-L891 PolarHBondContact O-N 2.92Å |
| 888 | L | 81.4 | Confident | 80.1 | Confident | 51 Ų | 51 | 60.4 Ų | 60.4 | 27% | 0.267 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.3 | -39.3 | 177.1 | 179.2 | 62.7 | 0 | 0 | 0 | 111.6 | I883 S885 E886 T892 L914 V923 | I883-L888 HydrophobicContact CG2-CB 4.47Å; I883-L888 HydrophobicContact CG2-CD1 4.4Å; I883-L888 HydrophobicContact CG2-CD2 4.14Å; S885-L888 PolarHBondContact O-N 3.18Å; E886-L888 PolarHBondContact O-N 3Å; L888-T892 WeakPolarHBondContact O-CB 3.26Å; L888-T892 PolarHBondContact O-N 3.44Å; L888-T892 PolarHBondContact O-OG1 3.05Å; L888-L914 HydrophobicContact CD1-CD2 4.01Å; L888-V923 HydrophobicContact CD1-CG2 3.75Å; L888-V923 HydrophobicContact CD2-CG2 4.35Å |
| 889 | E | 82.1 | Confident | 79.7 | Confident | 139 Ų | 139 | 65 Ų | 65 | 65% | 0.65 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -66 | -46.2 | 176.9 | -60.3 | -173.8 | 173.1 | 0 | 0 | 110.4 | E886 M887 L891 T892 V893 | E886-E889 WeakPolarHBondContact O-CB 3.4Å; E886-E889 PolarHBondContact O-N 3.46Å; E886-E889 VanDerWaalsContact O-N 3.12Å; M887-E889 VanDerWaalsContact C-N 3.32Å; M887-E889 PolarHBondContact O-N 2.93Å; E889-L891 PolarHBondContact O-N 2.91Å; E889-T892 PolarHBondContact O-N 2.92Å; E889-V893 WeakPolarHBondContact O-CG2 3.44Å; E889-V893 PolarHBondContact O-N 3.01Å |
| 890 | I | 83.1 | Confident | 79.5 | Confident | 16 Ų | 16 | 68 Ų | 68 | 8% | 0.082 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57.9 | -49.5 | 177.4 | -62.4 | 169.5 | 0 | 0 | 0 | 110.8 | Q849 C852 L853 E886 M887 T892 V893 I894 | Q849-I890 HydrophobicContact CB-CD1 4.2Å; Q849-I890 HydrophobicContact CG-CD1 4Å; C852-I890 HydrophobicContact CB-CG2 3.92Å; L853-I890 HydrophobicContact CD1-CD1 3.85Å; L853-I890 HydrophobicContact CD1-CG1 4.32Å; L853-I890 HydrophobicContact CD2-CD1 4.48Å; L853-I890 HydrophobicContact CD2-CG1 4.16Å; L853-I890 HydrophobicContact CD2-CG2 4.04Å; L853-I890 HydrophobicContact CG-CD1 4.06Å; L853-I890 HydrophobicContact CG-CG1 4.29Å; L853-I890 HydrophobicContact CG-CG2 4.21Å; E886-I890 WeakPolarHBondContact O-CG1 3.47Å; E886-I890 PolarHBondContact O-N 3.4Å; E886-I890 VanDerWaalsContact O-N 3.13Å; M887-I890 PolarHBondContact O-N 3.31Å; M887-I890 HydrophobicContact SD-CD1 4.07Å; I890-T892 VanDerWaalsContact C-N 3.3Å; I890-T892 PolarHBondContact O-N 3.32Å; I890-V893 PolarHBondContact O-N 3.33Å; I890-I894 HydrophobicContact CG2-CD1 3.83Å; I890-I894 WeakPolarHBondContact O-CG1 3.46Å; I890-I894 PolarHBondContact O-N 3.36Å |
| 891 | L | 82.4 | Confident | 79 | Confident | 5 Ų | 5 | 69.7 Ų | 69.7 | 3% | 0.026 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.2 | -37.8 | 178.1 | -71.5 | 172.9 | 0 | 0 | 0 | 112.2 | L864 V867 M887 E889 G895 A910 C913 L914 | L864-L891 HydrophobicContact CD2-CD2 3.46Å; L864-L891 VanDerWaalsContact CD2-CD2 3.46Å; V867-L891 HydrophobicContact CG1-CD1 4.25Å; M887-L891 WeakPolarHBondContact O-CB 3.46Å; M887-L891 VanDerWaalsContact O-CG 3.26Å; M887-L891 WeakPolarHBondContact O-CG 3.33Å; M887-L891 PolarHBondContact O-N 2.92Å; E889-L891 PolarHBondContact O-N 2.91Å; L891-G895 PolarHBondContact O-N 3.33Å; L891-A910 HydrophobicContact CD2-CB 4.3Å; L891-C913 HydrophobicContact CD1-CB 4.14Å; L891-C913 HydrophobicContact CD2-CB 4.14Å; L891-L914 HydrophobicContact CB-CD2 4.1Å; L891-L914 HydrophobicContact CB-CG 4.4Å |
| 892 | T | 82.3 | Confident | 78.5 | Confident | 26 Ų | 26 | 72.1 Ų | 72.1 | 16% | 0.16 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -68.9 | -41.5 | 178.8 | -58.9 | 0 | 0 | 0 | 0 | 111.8 | L888 E889 I890 K896 F926 | L888-T892 WeakPolarHBondContact O-CB 3.26Å; L888-T892 PolarHBondContact O-N 3.44Å; L888-T892 PolarHBondContact O-OG1 3.05Å; E889-T892 PolarHBondContact O-N 2.92Å; I890-T892 VanDerWaalsContact C-N 3.3Å; I890-T892 PolarHBondContact O-N 3.32Å; T892-K896 HydrophobicContact CG2-CD 3.94Å; T892-K896 HydrophobicContact CG2-CG 4.42Å; T892-K896 WeakPolarHBondContact O-CB 3.46Å; T892-K896 VanDerWaalsContact O-CG 3.26Å; T892-K896 WeakPolarHBondContact O-CG 3.34Å; T892-K896 PolarHBondContact O-N 2.89Å; T892-F926 HydrophobicContact CG2-CE2 4.34Å |
| 893 | V | 84 | Confident | 78.3 | Confident | 110 Ų | 110 | 78.6 Ų | 78.6 | 67% | 0.667 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -63.3 | -45.2 | 176.6 | 171 | 0 | 0 | 0 | 0 | 110.7 | E889 I890 | E889-V893 WeakPolarHBondContact O-CG2 3.44Å; E889-V893 PolarHBondContact O-N 3.01Å; I890-V893 PolarHBondContact O-N 3.33Å |
| 894 | I | 81.2 | Confident | 78.3 | Confident | 19 Ų | 19 | 80 Ų | 80 | 10% | 0.097 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -68.1 | -42.7 | 179.2 | -63.1 | 167.8 | 0 | 0 | 0 | 110.9 | L864 I890 K896 A897 A910 | L864-I894 HydrophobicContact CD1-CD1 4.41Å; L864-I894 HydrophobicContact CD1-CG2 4.28Å; L864-I894 HydrophobicContact CD2-CD1 4.2Å; I890-I894 HydrophobicContact CG2-CD1 3.83Å; I890-I894 WeakPolarHBondContact O-CG1 3.46Å; I890-I894 PolarHBondContact O-N 3.36Å; I894-K896 VanDerWaalsContact C-N 3.32Å; I894-K896 PolarHBondContact O-N 3.26Å; I894-A897 WeakPolarHBondContact O-CB 3.36Å; I894-A897 PolarHBondContact O-N 3.1Å; I894-A910 HydrophobicContact CB-CB 4.16Å; I894-A910 HydrophobicContact CG2-CB 3.75Å |
| 895 | G | 76.7 | Confident | 78.4 | Confident | 10 Ų | 10 | 78.5 Ų | 78.5 | 10% | 0.103 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -69.1 | -25.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | L891 R911 | L891-G895 PolarHBondContact O-N 3.33Å; G895-R911 PolarHBondContact O-NE 3.07Å |
| 896 | K | 79.3 | Confident | 78.5 | Confident | 138 Ų | 138 | 77.5 Ų | 77.5 | 60% | 0.6 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -7.5 | 175.3 | -76.1 | 179.4 | 179.6 | 177.9 | 0 | 114 | T892 I894 | T892-K896 HydrophobicContact CG2-CD 3.94Å; T892-K896 HydrophobicContact CG2-CG 4.42Å; T892-K896 WeakPolarHBondContact O-CB 3.46Å; T892-K896 VanDerWaalsContact O-CG 3.26Å; T892-K896 WeakPolarHBondContact O-CG 3.34Å; T892-K896 PolarHBondContact O-N 2.89Å; I894-K896 VanDerWaalsContact C-N 3.32Å; I894-K896 PolarHBondContact O-N 3.26Å |
| 897 | A | 78 | Confident | 78.6 | Confident | 40 Ų | 40 | 71.7 Ų | 71.7 | 33% | 0.331 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -63.2 | 145.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | I894 I907 | I894-A897 WeakPolarHBondContact O-CB 3.36Å; I894-A897 PolarHBondContact O-N 3.1Å; A897-I907 HydrophobicContact CB-CD1 4.06Å; A897-I907 HydrophobicContact CB-CG1 4.36Å |
| 898 | E | 71.6 | Confident | 78.8 | Confident | 180 Ų | 180 | 74.9 Ų | 74.9 | 84% | 0.841 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 144.1 | 176.5 | -67.7 | -178 | 174.3 | 0 | 0 | 111.3 | N900 | E898-N900 PolarHBondContact O-N 3.18Š|
| 899 | D | 70.3 | Confident | 78.9 | Confident | 103 Ų | 103 | 73.6 Ų | 73.6 | 55% | 0.551 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 121.7 | 179.5 | -67.8 | -35.3 | 0 | 0 | 0 | 110 | Q904 R911 | D899-Q904 PolarHBondContact OD1-NE2 3.42Å; D899-Q904 VanDerWaalsContact OD1-NE2 3.08Å; D899-R911 IonicContact OD1-CZ 3.22Å; D899-R911 VanDerWaalsContact OD1-CZ 3.26Å; D899-R911 IonicContact OD1-NH1 3.47Å; D899-R911 PolarHBondContact OD1-NH1 3.14Å; D899-R911 IonicContact OD1-NH2 2.67Å; D899-R911 PolarHBondContact OD1-NH2 3.27Å |
| 900 | N | 74.2 | Confident | 79 | Confident | 67 Ų | 67 | 67 Ų | 67 | 36% | 0.358 | 35% | 0.346 | S | S | . | . | trans | -135.5 | 125.5 | -178.1 | -179.2 | -29.1 | 0 | 0 | 0 | 108.4 | E898 K902 R903 Q904 | E898-N900 PolarHBondContact O-N 3.18Å; N900-K902 PolarHBondContact O-N 2.67Å; N900-K902 PolarHBondContact OD1-N 3.42Å; N900-R903 HydrophobicContact CB-CB 4.25Å; N900-R903 CarbonylContact O-C 3.55Å; N900-R903 PolarHBondContact O-N 3.17Å; N900-Q904 PolarHBondContact O-N 3.08Å | ||
| 901 | P | 70.9 | Confident | 79.2 | Confident | 127 Ų | 127 | 70.3 Ų | 70.3 | 83% | 0.825 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -19.7 | -175.7 | 21.1 | -32.1 | 0 | 0 | 0 | 114.2 | ||
| 902 | K | 69.9 | Low | 79.3 | Confident | 176 Ų | 176 | 73.2 Ų | 73.2 | 77% | 0.765 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -19 | 174.4 | -68.7 | -177 | 178.4 | 180 | 0 | 114.1 | L857 N900 | L857-K902 VanDerWaalsContact CD1-O 3.31Å; L857-K902 WeakPolarHBondContact CD1-O 3.48Å; N900-K902 PolarHBondContact O-N 2.67Å; N900-K902 PolarHBondContact OD1-N 3.42Å |
| 903 | R | 76.4 | Confident | 79.4 | Confident | 138 Ų | 138 | 72 Ų | 72 | 52% | 0.521 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | 7.1 | -177.1 | -62.4 | -169.9 | 169.8 | 179.6 | -4.5 | 113.4 | L857 N900 D905 P906 I907 | L857-R903 HydrophobicContact CD1-CG 3.79Å; L857-R903 HydrophobicContact CD2-CG 3.75Å; L857-R903 HydrophobicContact CG-CG 4.44Å; N900-R903 HydrophobicContact CB-CB 4.25Å; N900-R903 CarbonylContact O-C 3.55Å; N900-R903 PolarHBondContact O-N 3.17Å; R903-D905 PolarHBondContact O-N 3.4Å; R903-P906 VanDerWaalsContact O-CD 3.3Å; R903-P906 WeakPolarHBondContact O-CD 3.38Å; R903-I907 HydrophobicContact CB-CD1 4.06Å; R903-I907 WeakPolarHBondContact O-CD1 3.17Å; R903-I907 VanDerWaalsContact O-CG1 3.23Å; R903-I907 WeakPolarHBondContact O-CG1 3.29Å; R903-I907 PolarHBondContact O-N 3.02Å |
| 904 | Q | 79.4 | Confident | 79.4 | Confident | 45 Ų | 45 | 68 Ų | 68 | 21% | 0.21 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.9 | -41.7 | -173.3 | -158 | 64.3 | 33.4 | 0 | 0 | 112.2 | D899 N900 I907 D908 | D899-Q904 PolarHBondContact OD1-NE2 3.42Å; D899-Q904 VanDerWaalsContact OD1-NE2 3.08Å; N900-Q904 PolarHBondContact O-N 3.08Å; Q904-I907 PolarHBondContact O-N 3.14Å; Q904-I907 VanDerWaalsContact O-N 3.1Å; Q904-D908 PolarHBondContact NE2-OD1 2.71Å; Q904-D908 WeakPolarHBondContact O-CB 3.42Å; Q904-D908 PolarHBondContact O-N 3.37Å |
| 905 | D | 81.6 | Confident | 79.6 | Confident | 107 Ų | 107 | 71 Ų | 71 | 57% | 0.572 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -61.6 | -46.1 | -176.8 | -46.8 | -43.1 | 0 | 0 | 0 | 113.3 | H861 R903 V909 | H861-D905 PolarHBondContact ND1-O 3.24Å; R903-D905 PolarHBondContact O-N 3.4Å; D905-V909 VanDerWaalsContact O-CG2 3.31Å; D905-V909 WeakPolarHBondContact O-CG2 3.32Å; D905-V909 PolarHBondContact O-N 3.39Å |
| 906 | P | 81.9 | Confident | 79.8 | Confident | 4 Ų | 4 | 73.1 Ų | 73.1 | 3% | 0.026 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.2 | -42.4 | 169.6 | -23.7 | 28.8 | 0 | 0 | 0 | 114.4 | Q860 H861 L864 R903 V909 A910 | Q860-P906 HydrophobicContact CG-CB 4.34Å; H861-P906 HydrophobicContact CB-CG 4.1Å; L864-P906 HydrophobicContact CD1-CB 3.86Å; L864-P906 WeakPolarHBondContact CD1-O 3.37Å; R903-P906 VanDerWaalsContact O-CD 3.3Å; R903-P906 WeakPolarHBondContact O-CD 3.38Å; P906-V909 PolarHBondContact O-N 3.39Å; P906-A910 WeakPolarHBondContact O-CB 3.29Å; P906-A910 PolarHBondContact O-N 3.43Å |
| 907 | I | 83.4 | Confident | 80 | Confident | 4 Ų | 4 | 66.7 Ų | 66.7 | 2% | 0.021 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.5 | -45 | -176.2 | -67.4 | 168 | 0 | 0 | 0 | 110.4 | A897 R903 Q904 V909 A910 R911 | A897-I907 HydrophobicContact CB-CD1 4.06Å; A897-I907 HydrophobicContact CB-CG1 4.36Å; R903-I907 HydrophobicContact CB-CD1 4.06Å; R903-I907 WeakPolarHBondContact O-CD1 3.17Å; R903-I907 VanDerWaalsContact O-CG1 3.23Å; R903-I907 WeakPolarHBondContact O-CG1 3.29Å; R903-I907 PolarHBondContact O-N 3.02Å; Q904-I907 PolarHBondContact O-N 3.14Å; Q904-I907 VanDerWaalsContact O-N 3.1Å; I907-V909 PolarHBondContact O-N 3.14Å; I907-A910 PolarHBondContact O-N 2.92Å; I907-R911 HydrophobicContact CG2-CG 4.46Å; I907-R911 VanDerWaalsContact CG2-CZ 3.43Å; I907-R911 WeakPolarHBondContact O-CG 3.38Å; I907-R911 PolarHBondContact O-N 3.29Å |
| 908 | D | 84.3 | Confident | 80.1 | Confident | 67 Ų | 67 | 68.3 Ų | 68.3 | 36% | 0.358 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.9 | -41.1 | -179.6 | -70.5 | -11.2 | 0 | 0 | 0 | 111.4 | Q904 R911 T912 | Q904-D908 PolarHBondContact NE2-OD1 2.71Å; Q904-D908 WeakPolarHBondContact O-CB 3.42Å; Q904-D908 PolarHBondContact O-N 3.37Å; D908-R911 PolarHBondContact O-N 2.93Å; D908-T912 WeakPolarHBondContact O-CB 3.19Å; D908-T912 PolarHBondContact O-N 3.44Å; D908-T912 PolarHBondContact O-OG1 3.45Å |
| 909 | V | 84.9 | Confident | 80.6 | Confident | 24 Ų | 24 | 65.4 Ų | 65.4 | 15% | 0.145 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.8 | -43.9 | 174.4 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | L864 V865 D905 P906 I907 R911 T912 C913 | L864-V909 HydrophobicContact CB-CB 4.38Å; L864-V909 HydrophobicContact CB-CG1 3.78Å; V865-V909 HydrophobicContact CG2-CG1 4.13Å; V865-V909 HydrophobicContact CG2-CG2 4.17Å; D905-V909 VanDerWaalsContact O-CG2 3.31Å; D905-V909 WeakPolarHBondContact O-CG2 3.32Å; D905-V909 PolarHBondContact O-N 3.39Å; P906-V909 PolarHBondContact O-N 3.39Å; I907-V909 PolarHBondContact O-N 3.14Å; V909-R911 PolarHBondContact O-N 3.27Å; V909-T912 WeakPolarHBondContact O-CB 3.43Å; V909-T912 PolarHBondContact O-N 3.37Å; V909-T912 VanDerWaalsContact O-N 3.16Å; V909-C913 PolarHBondContact O-N 3.13Å; V909-C913 PolarHBondContact O-SG 3.49Å |
| 910 | A | 84.4 | Confident | 81 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L864 L891 I894 P906 I907 T912 C913 L914 | L864-A910 HydrophobicContact CD1-CB 4.4Å; L864-A910 HydrophobicContact CD2-CB 4.47Å; L891-A910 HydrophobicContact CD2-CB 4.3Å; I894-A910 HydrophobicContact CB-CB 4.16Å; I894-A910 HydrophobicContact CG2-CB 3.75Å; P906-A910 WeakPolarHBondContact O-CB 3.29Å; P906-A910 PolarHBondContact O-N 3.43Å; I907-A910 PolarHBondContact O-N 2.92Å; A910-T912 VanDerWaalsContact C-N 3.32Å; A910-T912 PolarHBondContact O-N 2.93Å; A910-C913 WeakPolarHBondContact O-CB 3.47Å; A910-C913 PolarHBondContact O-N 3.12Å; A910-L914 WeakPolarHBondContact O-CG 3.32Å; A910-L914 PolarHBondContact O-N 3.31Å |
| 911 | R | 85.7 | Confident | 81 | Confident | 87 Ų | 87 | 63 Ų | 63 | 33% | 0.328 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 173.1 | -72.4 | 173.8 | -177.8 | 165.7 | 3.1 | 111.1 | G895 D899 I907 D908 V909 C913 L914 V915 | G895-R911 PolarHBondContact O-NE 3.07Å; D899-R911 IonicContact OD1-CZ 3.22Å; D899-R911 VanDerWaalsContact OD1-CZ 3.26Å; D899-R911 IonicContact OD1-NH1 3.47Å; D899-R911 PolarHBondContact OD1-NH1 3.14Å; D899-R911 IonicContact OD1-NH2 2.67Å; D899-R911 PolarHBondContact OD1-NH2 3.27Å; I907-R911 HydrophobicContact CG2-CG 4.46Å; I907-R911 VanDerWaalsContact CG2-CZ 3.43Å; I907-R911 WeakPolarHBondContact O-CG 3.38Å; I907-R911 PolarHBondContact O-N 3.29Å; D908-R911 PolarHBondContact O-N 2.93Å; V909-R911 PolarHBondContact O-N 3.27Å; R911-C913 PolarHBondContact O-N 2.91Å; R911-L914 PolarHBondContact O-N 3.35Å; R911-V915 WeakPolarHBondContact O-CG2 3.27Å; R911-V915 PolarHBondContact O-N 3.49Å |
| 912 | T | 86.1 | Confident | 81.2 | Confident | 66 Ų | 66 | 59 Ų | 59 | 41% | 0.405 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.4 | -39.7 | 177.3 | -53.1 | 0 | 0 | 0 | 0 | 111.9 | Y868 D908 V909 A910 V915 K916 | Y868-T912 HydrophobicContact CD2-CG2 4.21Å; Y868-T912 HydrophobicContact CE2-CG2 3.65Å; D908-T912 WeakPolarHBondContact O-CB 3.19Å; D908-T912 PolarHBondContact O-N 3.44Å; D908-T912 PolarHBondContact O-OG1 3.45Å; V909-T912 WeakPolarHBondContact O-CB 3.43Å; V909-T912 PolarHBondContact O-N 3.37Å; V909-T912 VanDerWaalsContact O-N 3.16Å; A910-T912 VanDerWaalsContact C-N 3.32Å; A910-T912 PolarHBondContact O-N 2.93Å; T912-V915 PolarHBondContact O-N 3.08Å; T912-K916 WeakPolarHBondContact O-CB 3.49Å; T912-K916 PolarHBondContact O-N 3.3Å |
| 913 | C | 84 | Confident | 81.2 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.7 | -44.4 | 171.9 | -69.2 | 0 | 0 | 0 | 0 | 111.8 | Y868 L871 L891 V909 A910 R911 K916 A917 | Y868-C913 VanDerWaalsContact CB-SG 3.53Å; L871-C913 HydrophobicContact CD1-CB 4Å; L891-C913 HydrophobicContact CD1-CB 4.14Å; L891-C913 HydrophobicContact CD2-CB 4.14Å; V909-C913 PolarHBondContact O-N 3.13Å; V909-C913 PolarHBondContact O-SG 3.49Å; A910-C913 WeakPolarHBondContact O-CB 3.47Å; A910-C913 PolarHBondContact O-N 3.12Å; R911-C913 PolarHBondContact O-N 2.91Å; C913-K916 PolarHBondContact O-N 2.64Å; C913-A917 WeakPolarHBondContact O-CB 3.38Å; C913-A917 PolarHBondContact O-N 3.46Å |
| 914 | L | 83.3 | Confident | 80.7 | Confident | 27 Ų | 27 | 54.4 Ų | 54.4 | 14% | 0.141 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.4 | -41.1 | 178.2 | -69.7 | 171.4 | 0 | 0 | 0 | 112 | L888 L891 A910 R911 A917 M918 | L888-L914 HydrophobicContact CD1-CD2 4.01Å; L891-L914 HydrophobicContact CB-CD2 4.1Å; L891-L914 HydrophobicContact CB-CG 4.4Å; A910-L914 WeakPolarHBondContact O-CG 3.32Å; A910-L914 PolarHBondContact O-N 3.31Å; R911-L914 PolarHBondContact O-N 3.35Å; L914-A917 WeakPolarHBondContact O-CB 3.41Å; L914-A917 PolarHBondContact O-N 3.18Å; L914-M918 WeakPolarHBondContact O-CG 3.41Å; L914-M918 PolarHBondContact O-N 3.38Å |
| 915 | V | 84.9 | Confident | 79.6 | Confident | 81 Ų | 81 | 56.7 Ų | 56.7 | 49% | 0.491 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 173.8 | 172.4 | 0 | 0 | 0 | 0 | 110.4 | R911 T912 A917 M918 D919 | R911-V915 WeakPolarHBondContact O-CG2 3.27Å; R911-V915 PolarHBondContact O-N 3.49Å; T912-V915 PolarHBondContact O-N 3.08Å; V915-A917 VanDerWaalsContact C-N 3.3Å; V915-A917 PolarHBondContact O-N 3.41Å; V915-M918 WeakPolarHBondContact O-CA 3.47Å; V915-M918 WeakPolarHBondContact O-CB 2.8Å; V915-M918 PolarHBondContact O-N 3.47Å; V915-D919 PolarHBondContact O-N 3.02Å |
| 916 | K | 82.5 | Confident | 78.1 | Confident | 55 Ų | 55 | 59 Ų | 59 | 24% | 0.239 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.4 | -36.7 | 178.1 | -170.8 | 63.9 | 177.1 | -176.7 | 0 | 112.5 | N872 T912 C913 M918 D919 L920 | N872-K916 WeakPolarHBondContact OD1-CE 3.44Å; N872-K916 PolarHBondContact OD1-NZ 3.46Å; T912-K916 WeakPolarHBondContact O-CB 3.49Å; T912-K916 PolarHBondContact O-N 3.3Å; C913-K916 PolarHBondContact O-N 2.64Å; K916-M918 VanDerWaalsContact C-N 3.31Å; K916-D919 PolarHBondContact O-N 3.29Å; K916-L920 WeakPolarHBondContact O-CG 3.44Å; K916-L920 PolarHBondContact O-N 3.47Å; K916-L920 VanDerWaalsContact O-N 3.08Å |
| 917 | A | 81.6 | Confident | 76.2 | Confident | 2 Ų | 2 | 64.8 Ų | 64.8 | 2% | 0.017 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.6 | -35.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | I883 C913 L914 V915 G921 L922 V923 | I883-A917 HydrophobicContact CD1-CB 3.32Å; C913-A917 WeakPolarHBondContact O-CB 3.38Å; C913-A917 PolarHBondContact O-N 3.46Å; L914-A917 WeakPolarHBondContact O-CB 3.41Å; L914-A917 PolarHBondContact O-N 3.18Å; V915-A917 VanDerWaalsContact C-N 3.3Å; V915-A917 PolarHBondContact O-N 3.41Å; A917-G921 PolarHBondContact O-N 3.04Å; A917-L922 PolarHBondContact O-N 3.38Å; A917-L922 VanDerWaalsContact O-N 3.07Å; A917-V923 HydrophobicContact CB-CB 4.48Å; A917-V923 HydrophobicContact CB-CG2 3.87Å; A917-V923 PolarHBondContact O-N 3.41Å |
| 918 | M | 81.5 | Confident | 73.7 | Confident | 74 Ų | 74 | 69.5 Ų | 69.5 | 37% | 0.365 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.6 | -42.8 | 172.2 | -66.4 | 176.4 | -156.8 | 0 | 0 | 111.5 | L914 V915 K916 L920 G921 V923 | L914-M918 WeakPolarHBondContact O-CG 3.41Å; L914-M918 PolarHBondContact O-N 3.38Å; V915-M918 WeakPolarHBondContact O-CA 3.47Å; V915-M918 WeakPolarHBondContact O-CB 2.8Å; V915-M918 PolarHBondContact O-N 3.47Å; K916-M918 VanDerWaalsContact C-N 3.31Å; M918-L920 PolarHBondContact O-N 3.36Å; M918-G921 WeakPolarHBondContact O-CA 3.42Å; M918-G921 PolarHBondContact O-N 3.36Å; M918-V923 HydrophobicContact CG-CB 4.42Å |
| 919 | D | 81.6 | Confident | 71.8 | Confident | 119 Ų | 119 | 72.4 Ų | 72.4 | 64% | 0.636 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -59.4 | -35.8 | 177 | -68.7 | -21.4 | 0 | 0 | 0 | 112.2 | V915 K916 G921 | V915-D919 PolarHBondContact O-N 3.02Å; K916-D919 PolarHBondContact O-N 3.29Å; D919-G921 PolarHBondContact O-N 3.35Å |
| 920 | L | 77.6 | Confident | 69.3 | Low | 55 Ų | 55 | 80.2 Ų | 80.2 | 29% | 0.288 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -3.2 | 176.1 | -67.6 | 172.2 | 0 | 0 | 0 | 113.4 | A879 K916 M918 L922 | A879-L920 HydrophobicContact CB-CD1 4.17Å; K916-L920 WeakPolarHBondContact O-CG 3.44Å; K916-L920 PolarHBondContact O-N 3.47Å; K916-L920 VanDerWaalsContact O-N 3.08Å; M918-L920 PolarHBondContact O-N 3.36Å; L920-L922 VanDerWaalsContact C-N 3.25Å; L920-L922 HydrophobicContact CB-CD1 4.02Å; L920-L922 HydrophobicContact CB-CG 4.11Å; L920-L922 HydrophobicContact CD1-CD1 4.3Å; L920-L922 PolarHBondContact O-N 3.2Å |
| 921 | G | 75.4 | Confident | 68.6 | Low | 65 Ų | 65 | 84.3 Ų | 84.3 | 67% | 0.67 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | 13.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | A917 M918 D919 | A917-G921 PolarHBondContact O-N 3.04Å; M918-G921 WeakPolarHBondContact O-CA 3.42Å; M918-G921 PolarHBondContact O-N 3.36Å; D919-G921 PolarHBondContact O-N 3.35Å |
| 922 | L | 75.1 | Confident | 67.7 | Low | 44 Ų | 44 | 84.1 Ų | 84.1 | 23% | 0.23 | 50% | 0.495 | C | S | . | . | S | Bend | trans | -84 | -20.4 | -177.1 | -65.1 | 171.1 | 0 | 0 | 0 | 112.4 | F876 A879 K880 I883 A917 L920 | F876-L922 HydrophobicContact CE2-CD2 4.25Å; F876-L922 HydrophobicContact CZ-CD2 3.93Å; A879-L922 HydrophobicContact CB-CD1 3.96Å; K880-L922 HydrophobicContact CB-CD2 4.15Å; K880-L922 HydrophobicContact CG-CD2 4.3Å; I883-L922 HydrophobicContact CD1-CB 3.73Å; I883-L922 HydrophobicContact CD1-CD1 3.71Å; I883-L922 HydrophobicContact CD1-CG 4.36Å; I883-L922 HydrophobicContact CG1-CD1 4.41Å; I883-L922 HydrophobicContact CG2-CB 4.29Å; A917-L922 PolarHBondContact O-N 3.38Å; A917-L922 VanDerWaalsContact O-N 3.07Å; L920-L922 VanDerWaalsContact C-N 3.25Å; L920-L922 HydrophobicContact CB-CD1 4.02Å; L920-L922 HydrophobicContact CB-CG 4.11Å; L920-L922 HydrophobicContact CD1-CD1 4.3Å; L920-L922 PolarHBondContact O-N 3.2Å |
| 923 | V | 70.4 | Confident | 66.6 | Low | 28 Ų | 28 | 85.1 Ų | 85.1 | 17% | 0.17 | 50% | 0.5 | C | S | . | . | S | Bend | trans | -131.9 | 136.6 | 179.6 | -176.2 | 0 | 0 | 0 | 0 | 109.7 | I883 L888 A917 M918 | I883-V923 HydrophobicContact CD1-CG2 4.32Å; I883-V923 HydrophobicContact CG2-CG2 3.96Å; L888-V923 HydrophobicContact CD1-CG2 3.75Å; L888-V923 HydrophobicContact CD2-CG2 4.35Å; A917-V923 HydrophobicContact CB-CB 4.48Å; A917-V923 HydrophobicContact CB-CG2 3.87Å; A917-V923 PolarHBondContact O-N 3.41Å; M918-V923 HydrophobicContact CG-CB 4.42Å |
| 924 | K | 65.2 | Low | 65.6 | Low | 188 Ų | 188 | 90.1 Ų | 90.1 | 82% | 0.817 | 53% | 0.529 | S | S | * | . | trans | -87.1 | 142.6 | 173.6 | -68.1 | -178.6 | -179.6 | 177.4 | 0 | 110.2 | F926 | K924-F926 PolarHBondContact O-N 3.26Š| ||
| 925 | P | 55.7 | Low | 64.5 | Low | 94 Ų | 94 | 94.1 Ų | 94.1 | 61% | 0.61 | 55% | 0.553 | S | S | * | * | trans | -59.8 | 137.4 | 176.2 | 23.7 | -31.7 | 0 | 0 | 0 | 110.2 | T927 | P925-T927 PolarHBondContact O-N 2.91Š| ||
| 926 | F | 50.5 | Low | 63.2 | Low | 154 Ų | 154 | 94.9 Ų | 94.9 | 68% | 0.675 | 56% | 0.558 | S | S | * | * | trans | -59.1 | 102.6 | 172.5 | -94.1 | -89.9 | 0 | 0 | 0 | 108.9 | T892 K924 S928 | T892-F926 HydrophobicContact CG2-CE2 4.34Å; K924-F926 PolarHBondContact O-N 3.26Å; F926-S928 PolarHBondContact O-N 3.24Å | ||
| 927 | T | 41.6 | Very low | 61.8 | Low | 126 Ų | 126 | 97.8 Ų | 97.8 | 77% | 0.773 | 58% | 0.58 | S | S | * | * | trans | -73.8 | 110.2 | 155.6 | 47 | 0 | 0 | 0 | 0 | 106.7 | P925 | P925-T927 PolarHBondContact O-N 2.91Š| ||
| 928 | S | 31.5 | Very low | 60.3 | Low | 104 Ų | 104 | 105.2 Ų | 105.2 | 73% | 0.727 | 62% | 0.624 | S | S | * | * | trans | -52.3 | 130 | 168.9 | -42.8 | 0 | 0 | 0 | 0 | 109 | F926 S930 | F926-S928 PolarHBondContact O-N 3.24Å; S928-S930 PolarHBondContact O-N 2.96Å | ||
| 929 | P | 44.7 | Very low | 58.5 | Low | 127 Ų | 127 | 107.8 Ų | 107.8 | 83% | 0.825 | 65% | 0.645 | S | S | * | * | trans | -67.5 | 121.6 | 163.6 | 28.4 | -27.9 | 0 | 0 | 0 | 106.9 | ||||
| 930 | S | 32.5 | Very low | 56.4 | Low | 189 Ų | 189 | 106.7 Ų | 106.7 | 100% | 1.322 | 65% | 0.646 | S | S | * | * | trans | -52.8 | 0 | 174 | 52.9 | 0 | 0 | 0 | 0 | 113.3 | S928 | S928-S930 PolarHBondContact O-N 2.96Š|
Retrieved 930 of 930 residues in 1278.9 ms
(Link to these results)