| 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 | 41.3 | Very low | 74.8 | Confident | 186 Ų | 186 | 86.7 Ų | 86.7 | 92% | 0.916 | 44% | 0.437 | S | S | * | . | 0 | -33.1 | 0 | -79.6 | -172.6 | -177.9 | 0 | 0 | 113.8 | F3 | M1-F3 VanDerWaalsContact C-N 3.32Å; M1-F3 PolarHBondContact O-N 2.7Å | |||
| 2 | L | 51.5 | Low | 76.1 | Confident | 80 Ų | 80 | 88.7 Ų | 88.7 | 42% | 0.419 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -30.9 | -174.9 | -82.7 | 120.1 | 0 | 0 | 0 | 115.5 | I88 M92 | L2-I88 HydrophobicContact CD2-CB 4.35Å; L2-I88 HydrophobicContact CD2-CG2 3.58Å; L2-M92 HydrophobicContact CB-CE 4.05Å; L2-M92 HydrophobicContact CD2-CE 3.83Å; L2-M92 HydrophobicContact CG-CE 4.15Å; L2-M92 WeakPolarHBondContact O-CE 3.28Å |
| 3 | F | 61.3 | Low | 77.4 | Confident | 106 Ų | 106 | 81.8 Ų | 81.8 | 47% | 0.465 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -16.8 | -168.8 | -66.8 | -86.8 | 0 | 0 | 0 | 116.2 | M1 R5 L6 L14 Y80 | M1-F3 VanDerWaalsContact C-N 3.32Å; M1-F3 PolarHBondContact O-N 2.7Å; F3-R5 VanDerWaalsContact C-N 3.26Å; F3-R5 PolarHBondContact O-N 3.48Å; F3-L6 HydrophobicContact CB-CD1 4.24Å; F3-L6 HydrophobicContact CD1-CD1 3.57Å; F3-L6 HydrophobicContact CE1-CD1 4.35Å; F3-L6 HydrophobicContact CG-CD1 4.26Å; F3-L6 PolarHBondContact O-N 3.31Å; F3-L14 HydrophobicContact CD1-CD1 4.02Å; F3-L14 HydrophobicContact CE1-CD1 3.58Å; F3-Y80 HydrophobicContact CZ-CE2 4.21Å |
| 4 | G | 66.8 | Low | 78.4 | Confident | 73 Ų | 73 | 76.5 Ų | 76.5 | 75% | 0.753 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -11.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 5 | R | 75.7 | Confident | 79.3 | Confident | 119 Ų | 119 | 74.2 Ų | 74.2 | 45% | 0.449 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 4.9 | 179.9 | -62.8 | -171.3 | -174.1 | -174.7 | 1 | 113.6 | F3 F102 V103 | F3-R5 VanDerWaalsContact C-N 3.26Å; F3-R5 PolarHBondContact O-N 3.48Å; R5-F102 CarbonylContact O-C 3.5Å; R5-F102 WeakPolarHBondContact O-CA 3.25Å; R5-V103 PolarHBondContact O-N 2.88Å |
| 6 | L | 84.1 | Confident | 80.1 | Confident | 12 Ų | 12 | 72 Ų | 72 | 6% | 0.063 | 36% | 0.362 | C | S | . | . | B | Isolated β-bridge | trans | -78.4 | 139.8 | 179.1 | -67.4 | 159.3 | 0 | 0 | 0 | 109.9 | F3 A10 Q11 L14 V103 | F3-L6 HydrophobicContact CB-CD1 4.24Å; F3-L6 HydrophobicContact CD1-CD1 3.57Å; F3-L6 HydrophobicContact CE1-CD1 4.35Å; F3-L6 HydrophobicContact CG-CD1 4.26Å; F3-L6 PolarHBondContact O-N 3.31Å; L6-A10 HydrophobicContact CB-CB 4.1Å; L6-A10 HydrophobicContact CD2-CB 3.84Å; L6-Q11 HydrophobicContact CB-CG 3.68Å; L6-Q11 HydrophobicContact CD1-CG 4.3Å; L6-L14 HydrophobicContact CD1-CD1 3.53Å; L6-L14 HydrophobicContact CD2-CD1 4.4Å; L6-V103 WeakPolarHBondContact CA-O 3.5Å; L6-V103 HydrophobicContact CD2-CB 3.92Å; L6-V103 HydrophobicContact CD2-CG1 3.87Å |
| 7 | T | 87.4 | Confident | 80.8 | Confident | 49 Ų | 49 | 67.8 Ų | 67.8 | 30% | 0.301 | 34% | 0.34 | S | S | . | . | trans | -67.7 | 160.9 | 167.8 | 68.2 | 0 | 0 | 0 | 0 | 110.2 | R9 A10 Q11 F102 V103 G104 | T7-R9 PolarHBondContact O-N 3.18Å; T7-A10 WeakPolarHBondContact O-CB 3.45Å; T7-A10 PolarHBondContact O-N 3.18Å; T7-A10 PolarHBondContact OG1-N 3.07Å; T7-Q11 PolarHBondContact O-N 3Å; T7-F102 HydrophobicContact CG2-CB 3.9Å; T7-V103 PolarHBondContact N-O 3.41Å; T7-G104 WeakPolarHBondContact OG1-CA 3.32Å | ||
| 8 | E | 87.3 | Confident | 81.3 | Confident | 128 Ų | 128 | 68.6 Ų | 68.6 | 60% | 0.598 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -55.2 | -40.6 | 179.3 | -161.4 | -170.4 | 155.7 | 0 | 0 | 111.8 | Q11 R12 | E8-Q11 PolarHBondContact O-N 3.48Å; E8-R12 WeakPolarHBondContact O-CG 3.27Å; E8-R12 PolarHBondContact O-N 2.69Å; E8-R12 IonicContact OE1-CZ 2.8Å; E8-R12 IonicContact OE1-NE 2.98Å; E8-R12 IonicContact OE1-NH2 2.78Å; E8-R12 PolarHBondContact OE1-NH2 3.09Å |
| 9 | R | 87.5 | Confident | 81.8 | Confident | 106 Ų | 106 | 69.9 Ų | 69.9 | 40% | 0.4 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 174.5 | -68.5 | -178.9 | 171.5 | 157.6 | -3.7 | 112.7 | T7 Q11 R12 V13 E43 T105 | T7-R9 PolarHBondContact O-N 3.18Å; R9-Q11 VanDerWaalsContact C-N 3.3Å; R9-Q11 PolarHBondContact O-N 3.42Å; R9-R12 PolarHBondContact O-N 3.36Å; R9-V13 WeakPolarHBondContact O-CG2 3.37Å; R9-V13 PolarHBondContact O-N 3.28Å; R9-E43 IonicContact CZ-OE2 2.81Å; R9-E43 IonicContact NE-OE2 2.77Å; R9-E43 IonicContact NH2-OE2 3.67Å; R9-E43 PolarHBondContact NH2-OE2 3.19Å; R9-T105 HydrophobicContact CB-CG2 3.82Å |
| 10 | A | 90 | Very high | 82.2 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.3 | -33.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L6 T7 L14 V103 I108 | L6-A10 HydrophobicContact CB-CB 4.1Å; L6-A10 HydrophobicContact CD2-CB 3.84Å; T7-A10 WeakPolarHBondContact O-CB 3.45Å; T7-A10 PolarHBondContact O-N 3.18Å; T7-A10 PolarHBondContact OG1-N 3.07Å; A10-L14 WeakPolarHBondContact O-CG 3.44Å; A10-L14 PolarHBondContact O-N 2.88Å; A10-V103 WeakPolarHBondContact CB-O 3.34Å; A10-I108 HydrophobicContact CB-CD1 3.86Å |
| 11 | Q | 90.3 | Very high | 82.5 | Confident | 95 Ų | 95 | 63.3 Ų | 63.3 | 44% | 0.444 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.4 | -41.6 | 172.3 | -67.5 | -179.1 | -2.7 | 0 | 0 | 111.8 | L6 T7 E8 R9 V13 L14 A15 | L6-Q11 HydrophobicContact CB-CG 3.68Å; L6-Q11 HydrophobicContact CD1-CG 4.3Å; T7-Q11 PolarHBondContact O-N 3Å; E8-Q11 PolarHBondContact O-N 3.48Å; R9-Q11 VanDerWaalsContact C-N 3.3Å; R9-Q11 PolarHBondContact O-N 3.42Å; Q11-V13 PolarHBondContact O-N 3.44Å; Q11-L14 PolarHBondContact O-N 3.33Å; Q11-A15 PolarHBondContact O-N 2.98Å |
| 12 | R | 90.7 | Very high | 84.7 | Confident | 110 Ų | 110 | 58.7 Ų | 58.7 | 42% | 0.415 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.5 | -43 | 174.4 | -69.2 | -180 | -166.6 | 176.4 | 1.9 | 112.4 | E8 R9 L14 A15 H16 E41 | E8-R12 WeakPolarHBondContact O-CG 3.27Å; E8-R12 PolarHBondContact O-N 2.69Å; E8-R12 IonicContact OE1-CZ 2.8Å; E8-R12 IonicContact OE1-NE 2.98Å; E8-R12 IonicContact OE1-NH2 2.78Å; E8-R12 PolarHBondContact OE1-NH2 3.09Å; R9-R12 PolarHBondContact O-N 3.36Å; R12-L14 VanDerWaalsContact C-N 3.29Å; R12-L14 PolarHBondContact O-N 3.21Å; R12-A15 WeakPolarHBondContact O-CB 3.48Å; R12-A15 PolarHBondContact O-N 3.43Å; R12-A15 VanDerWaalsContact O-N 3.07Å; R12-H16 PolarHBondContact O-CD2 3.26Å; R12-H16 PolarHBondContact O-N 3.49Å; R12-E41 IonicContact NH1-OE1 2.83Å |
| 13 | V | 92.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -54.9 | -44.2 | 174.3 | 166.7 | 0 | 0 | 0 | 0 | 112 | R9 Q11 H16 A17 L38 E41 T105 I108 | R9-V13 WeakPolarHBondContact O-CG2 3.37Å; R9-V13 PolarHBondContact O-N 3.28Å; Q11-V13 PolarHBondContact O-N 3.44Å; V13-H16 PolarHBondContact O-N 3.14Å; V13-A17 PolarHBondContact O-N 2.86Å; V13-L38 HydrophobicContact CB-CD2 4.38Å; V13-L38 HydrophobicContact CG1-CD2 3.63Å; V13-L38 HydrophobicContact CG1-CG 3.81Å; V13-L38 HydrophobicContact CG2-CD2 3.86Å; V13-E41 HydrophobicContact CG2-CB 4.08Å; V13-T105 HydrophobicContact CG2-CG2 3.91Å; V13-I108 HydrophobicContact CB-CD1 4.33Å; V13-I108 HydrophobicContact CG1-CD1 4.02Å |
| 14 | L | 91.7 | Very high | 87.6 | Confident | 7 Ų | 7 | 54.9 Ų | 54.9 | 4% | 0.037 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69 | -34.7 | 178.2 | -63.6 | -178.2 | 0 | 0 | 0 | 112.2 | F3 L6 A10 Q11 R12 A17 Q18 L34 I88 | F3-L14 HydrophobicContact CD1-CD1 4.02Å; F3-L14 HydrophobicContact CE1-CD1 3.58Å; L6-L14 HydrophobicContact CD1-CD1 3.53Å; L6-L14 HydrophobicContact CD2-CD1 4.4Å; A10-L14 WeakPolarHBondContact O-CG 3.44Å; A10-L14 PolarHBondContact O-N 2.88Å; Q11-L14 PolarHBondContact O-N 3.33Å; R12-L14 VanDerWaalsContact C-N 3.29Å; R12-L14 PolarHBondContact O-N 3.21Å; L14-A17 PolarHBondContact O-N 3.01Å; L14-Q18 PolarHBondContact O-N 3.32Å; L14-L34 HydrophobicContact CD2-CD2 3.42Å; L14-L34 VanDerWaalsContact CD2-CD2 3.42Å; L14-I88 HydrophobicContact CD2-CD1 4.22Å |
| 15 | A | 91.3 | Very high | 88.4 | Confident | 42 Ų | 42 | 54.6 Ų | 54.6 | 35% | 0.347 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66.4 | -44.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q11 R12 A17 Q18 E19 | Q11-A15 PolarHBondContact O-N 2.98Å; R12-A15 WeakPolarHBondContact O-CB 3.48Å; R12-A15 PolarHBondContact O-N 3.43Å; R12-A15 VanDerWaalsContact O-N 3.07Å; A15-A17 VanDerWaalsContact C-N 3.29Å; A15-A17 PolarHBondContact O-N 2.95Å; A15-Q18 WeakPolarHBondContact O-CA 3.46Å; A15-Q18 WeakPolarHBondContact O-CB 3.45Å; A15-Q18 PolarHBondContact O-N 3.13Å; A15-E19 PolarHBondContact O-N 2.99Å |
| 16 | H | 92.1 | Very high | 88.9 | Confident | 39 Ų | 39 | 49.8 Ų | 49.8 | 18% | 0.181 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.2 | -34.9 | 175.3 | -68.1 | -43.1 | 0 | 0 | 0 | 112.5 | R12 V13 Q18 E19 E20 K40 E41 | R12-H16 PolarHBondContact O-CD2 3.26Å; R12-H16 PolarHBondContact O-N 3.49Å; V13-H16 PolarHBondContact O-N 3.14Å; H16-Q18 VanDerWaalsContact C-N 3.28Å; H16-Q18 PolarHBondContact O-N 3.46Å; H16-E19 IonicContact CE1-OE2 3.63Å; H16-E19 IonicContact ND1-OE2 3.15Å; H16-E19 PolarHBondContact ND1-OE2 3.01Å; H16-E19 PolarHBondContact O-N 2.9Å; H16-E20 WeakPolarHBondContact O-CB 3.49Å; H16-E20 VanDerWaalsContact O-CG 3.31Å; H16-E20 WeakPolarHBondContact O-CG 3.49Å; H16-E20 PolarHBondContact O-N 3.14Å; H16-K40 HydrophobicContact CB-CB 4.16Å; H16-K40 HydrophobicContact CB-CD 4.03Å; H16-E41 IonicContact NE2-OE2 3.98Å |
| 17 | A | 92.3 | Very high | 89 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.7 | -36.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V13 L14 A15 A21 I29 H33 L34 | V13-A17 PolarHBondContact O-N 2.86Å; L14-A17 PolarHBondContact O-N 3.01Å; A15-A17 VanDerWaalsContact C-N 3.29Å; A15-A17 PolarHBondContact O-N 2.95Å; A17-A21 PolarHBondContact O-N 3.21Å; A17-A21 VanDerWaalsContact O-N 3.1Å; A17-I29 HydrophobicContact CB-CG2 4.26Å; A17-H33 VanDerWaalsContact CA-O 3.3Å; A17-H33 WeakPolarHBondContact CA-O 3.37Å; A17-H33 VanDerWaalsContact CB-C 3.49Å; A17-H33 HydrophobicContact CB-CB 4.06Å; A17-H33 WeakPolarHBondContact CB-O 3.48Å; A17-H33 WeakPolarHBondContact O-CB 3.4Å; A17-L34 HydrophobicContact CB-CD2 3.96Å |
| 18 | Q | 91.1 | Very high | 89 | Confident | 82 Ų | 82 | 52.8 Ų | 52.8 | 38% | 0.383 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -67.1 | -46.4 | 173.7 | -70.2 | 178.2 | -7.4 | 0 | 0 | 111.4 | L14 A15 H16 E20 A21 I22 I29 | L14-Q18 PolarHBondContact O-N 3.32Å; A15-Q18 WeakPolarHBondContact O-CA 3.46Å; A15-Q18 WeakPolarHBondContact O-CB 3.45Å; A15-Q18 PolarHBondContact O-N 3.13Å; H16-Q18 VanDerWaalsContact C-N 3.28Å; H16-Q18 PolarHBondContact O-N 3.46Å; Q18-E20 VanDerWaalsContact C-N 3.29Å; Q18-E20 PolarHBondContact O-N 2.9Å; Q18-A21 PolarHBondContact O-N 3.08Å; Q18-I22 WeakPolarHBondContact O-CG1 3.49Å; Q18-I22 PolarHBondContact O-N 3.18Å; Q18-I22 VanDerWaalsContact O-N 3.07Å; Q18-I29 HydrophobicContact CG-CD1 3.55Å |
| 19 | E | 90.2 | Very high | 89.2 | Confident | 95 Ų | 95 | 46.7 Ų | 46.7 | 44% | 0.444 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -57.9 | -41.2 | 176.7 | -68 | 173.3 | 171.5 | 0 | 0 | 112.1 | A15 H16 I22 R23 K40 | A15-E19 PolarHBondContact O-N 2.99Å; H16-E19 IonicContact CE1-OE2 3.63Å; H16-E19 IonicContact ND1-OE2 3.15Å; H16-E19 PolarHBondContact ND1-OE2 3.01Å; H16-E19 PolarHBondContact O-N 2.9Å; E19-I22 PolarHBondContact O-N 2.91Å; E19-R23 WeakPolarHBondContact O-CB 3.44Å; E19-R23 PolarHBondContact O-N 3.02Å; E19-K40 IonicContact OE2-NZ 3.87Å |
| 20 | E | 88.5 | Confident | 89.3 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.9 | -35.6 | 178.2 | -72.8 | -61.5 | 126.7 | 0 | 0 | 112.8 | H16 Q18 I22 R23 L24 L36 K40 | H16-E20 WeakPolarHBondContact O-CB 3.49Å; H16-E20 VanDerWaalsContact O-CG 3.31Å; H16-E20 WeakPolarHBondContact O-CG 3.49Å; H16-E20 PolarHBondContact O-N 3.14Å; Q18-E20 VanDerWaalsContact C-N 3.29Å; Q18-E20 PolarHBondContact O-N 2.9Å; E20-I22 VanDerWaalsContact C-N 3.31Å; E20-I22 PolarHBondContact O-N 3.26Å; E20-R23 VanDerWaalsContact CD-CZ 3.42Å; E20-R23 VanDerWaalsContact CD-NH1 3.28Å; E20-R23 PolarHBondContact O-N 2.86Å; E20-R23 IonicContact OE1-CZ 3.87Å; E20-R23 VanDerWaalsContact OE1-CZ 3.25Å; E20-R23 IonicContact OE1-NE 3.04Å; E20-R23 IonicContact OE1-NH1 3.25Å; E20-R23 PolarHBondContact OE1-NH1 3.25Å; E20-R23 IonicContact OE2-CZ 2.74Å; E20-R23 IonicContact OE2-NE 2.73Å; E20-R23 PolarHBondContact OE2-NE 2.87Å; E20-R23 VanDerWaalsContact OE2-NE 3.14Å; E20-R23 IonicContact OE2-NH1 2.81Å; E20-R23 PolarHBondContact OE2-NH1 3.28Å; E20-R23 VanDerWaalsContact OE2-NH1 3.09Å; E20-R23 IonicContact OE2-NH2 3.5Å; E20-R23 PolarHBondContact OE2-NH2 3.14Å; E20-L24 WeakPolarHBondContact O-CB 3.41Å; E20-L24 WeakPolarHBondContact O-CG 3.44Å; E20-L24 PolarHBondContact O-N 2.87Å; E20-L36 HydrophobicContact CB-CB 4.32Å; E20-L36 HydrophobicContact CB-CD1 4.21Å; E20-L36 HydrophobicContact CG-CB 3.94Å; E20-L36 HydrophobicContact CG-CD1 4.38Å; E20-K40 HydrophobicContact CG-CD 4.16Å; E20-K40 WeakPolarHBondContact OE1-CE 3.32Å; E20-K40 IonicContact OE1-NZ 3.68Å; E20-K40 PolarHBondContact OE1-NZ 3.33Å |
| 21 | A | 89.3 | Confident | 89.5 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.6 | -38.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A17 Q18 N25 H26 I29 H33 L78 | A17-A21 PolarHBondContact O-N 3.21Å; A17-A21 VanDerWaalsContact O-N 3.1Å; Q18-A21 PolarHBondContact O-N 3.08Å; A21-N25 PolarHBondContact O-N 2.9Å; A21-H26 PolarHBondContact O-N 2.71Å; A21-I29 HydrophobicContact CB-CG1 4.09Å; A21-H33 WeakPolarHBondContact CA-CD2 3.41Å; A21-H33 WeakPolarHBondContact CA-NE2 3.33Å; A21-H33 PolarHBondContact N-CD2 3.08Å; A21-L78 HydrophobicContact CB-CD1 4.27Å; A21-L78 HydrophobicContact CB-CD2 4.06Å |
| 22 | I | 88 | Confident | 89.5 | Confident | 89 Ų | 89 | 38.3 Ų | 38.3 | 46% | 0.456 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65.5 | -46.7 | 173.5 | -59.3 | 170.7 | 0 | 0 | 0 | 110.2 | Q18 E19 E20 L24 N25 V75 L78 | Q18-I22 WeakPolarHBondContact O-CG1 3.49Å; Q18-I22 PolarHBondContact O-N 3.18Å; Q18-I22 VanDerWaalsContact O-N 3.07Å; E19-I22 PolarHBondContact O-N 2.91Å; E20-I22 VanDerWaalsContact C-N 3.31Å; E20-I22 PolarHBondContact O-N 3.26Å; I22-L24 VanDerWaalsContact C-N 3.32Å; I22-L24 PolarHBondContact O-N 2.87Å; I22-N25 PolarHBondContact O-N 3.09Å; I22-N25 VanDerWaalsContact O-N 3.1Å; I22-N25 PolarHBondContact O-OD1 3.31Å; I22-V75 HydrophobicContact CG1-CG1 4.26Å; I22-L78 HydrophobicContact CD1-CD1 4.18Å; I22-L78 HydrophobicContact CG1-CD1 3.64Å |
| 23 | R | 86.5 | Confident | 89.6 | Confident | 104 Ų | 104 | 33 Ų | 33 | 39% | 0.392 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -60.1 | -40.3 | -178.2 | -167.3 | -174.9 | 82.4 | -178.7 | 15.4 | 112.5 | E19 E20 N25 | E19-R23 WeakPolarHBondContact O-CB 3.44Å; E19-R23 PolarHBondContact O-N 3.02Å; E20-R23 VanDerWaalsContact CD-CZ 3.42Å; E20-R23 VanDerWaalsContact CD-NH1 3.28Å; E20-R23 PolarHBondContact O-N 2.86Å; E20-R23 IonicContact OE1-CZ 3.87Å; E20-R23 VanDerWaalsContact OE1-CZ 3.25Å; E20-R23 IonicContact OE1-NE 3.04Å; E20-R23 IonicContact OE1-NH1 3.25Å; E20-R23 PolarHBondContact OE1-NH1 3.25Å; E20-R23 IonicContact OE2-CZ 2.74Å; E20-R23 IonicContact OE2-NE 2.73Å; E20-R23 PolarHBondContact OE2-NE 2.87Å; E20-R23 VanDerWaalsContact OE2-NE 3.14Å; E20-R23 IonicContact OE2-NH1 2.81Å; E20-R23 PolarHBondContact OE2-NH1 3.28Å; E20-R23 VanDerWaalsContact OE2-NH1 3.09Å; E20-R23 IonicContact OE2-NH2 3.5Å; E20-R23 PolarHBondContact OE2-NH2 3.14Å; R23-N25 VanDerWaalsContact C-N 3.31Å |
| 24 | L | 85.9 | Confident | 89.7 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 2.3 | 179.2 | -64.9 | 171.7 | 0 | 0 | 0 | 113.4 | E20 I22 H26 L36 V64 E65 G71 | E20-L24 WeakPolarHBondContact O-CB 3.41Å; E20-L24 WeakPolarHBondContact O-CG 3.44Å; E20-L24 PolarHBondContact O-N 2.87Å; I22-L24 VanDerWaalsContact C-N 3.32Å; I22-L24 PolarHBondContact O-N 2.87Å; L24-H26 VanDerWaalsContact C-N 3.26Å; L24-H26 PolarHBondContact O-CD2 3.42Å; L24-H26 PolarHBondContact O-N 2.96Å; L24-L36 HydrophobicContact CD1-CD1 3.96Å; L24-V64 HydrophobicContact CD1-CG1 4.2Å; L24-E65 HydrophobicContact CD2-CG 4.01Å; L24-G71 PolarHBondContact O-N 2.89Å |
| 25 | N | 85.4 | Confident | 89.7 | Confident | 67 Ų | 67 | 32.7 Ų | 32.7 | 36% | 0.358 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 36.9 | -174.2 | -62.2 | -40.6 | 0 | 0 | 0 | 113.7 | A21 I22 R23 G71 | A21-N25 PolarHBondContact O-N 2.9Å; I22-N25 PolarHBondContact O-N 3.09Å; I22-N25 VanDerWaalsContact O-N 3.1Å; I22-N25 PolarHBondContact O-OD1 3.31Å; R23-N25 VanDerWaalsContact C-N 3.31Å; N25-G71 VanDerWaalsContact CB-O 3.27Å; N25-G71 WeakPolarHBondContact CB-O 3.36Å; N25-G71 WeakPolarHBondContact O-CA 3.5Å |
| 26 | H | 86.1 | Confident | 89.7 | Confident | 19 Ų | 19 | 30.9 Ų | 30.9 | 9% | 0.088 | 15% | 0.153 | C | C | . | . | trans | -89.7 | 126.8 | 175.4 | -66.2 | 159.2 | 0 | 0 | 0 | 110.6 | A21 L24 N28 H33 I68 G69 L78 | A21-H26 PolarHBondContact O-N 2.71Å; L24-H26 VanDerWaalsContact C-N 3.26Å; L24-H26 PolarHBondContact O-CD2 3.42Å; L24-H26 PolarHBondContact O-N 2.96Å; H26-N28 PolarHBondContact O-N 3.07Å; H26-H33 AromaticContact CE1-NE2 3.93Å; H26-H33 AromaticContact CG-CE1 3.84Å; H26-H33 AromaticContact CG-NE2 3.63Å; H26-H33 AromaticContact ND1-CE1 3.2Å; H26-H33 PolarHBondContact ND1-CE1 3.28Å; H26-H33 AromaticContact ND1-NE2 2.85Å; H26-H33 PolarHBondContact ND1-NE2 3.45Å; H26-I68 VanDerWaalsContact NE2-CG2 3.31Å; H26-I68 WeakPolarHBondContact NE2-CG2 3.5Å; H26-G69 PolarHBondContact NE2-O 3.46Å; H26-L78 WeakPolarHBondContact O-CD2 3.27Å | ||
| 27 | S | 85.3 | Confident | 89.7 | Confident | 51 Ų | 51 | 29 Ų | 29 | 36% | 0.357 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -69.9 | -16.6 | 179.3 | 52.7 | 0 | 0 | 0 | 0 | 114 | ||
| 28 | N | 87.9 | Confident | 89.7 | Confident | 73 Ų | 73 | 29 Ų | 29 | 39% | 0.39 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 146.3 | -179.2 | -63.5 | -63.5 | 0 | 0 | 0 | 111.7 | H26 G30 H33 H79 T81 | H26-N28 PolarHBondContact O-N 3.07Å; N28-G30 PolarHBondContact O-N 3.35Å; N28-H33 PolarHBondContact O-CE1 3.31Å; N28-H79 CarbonylContact C-O 3.52Å; N28-H79 WeakPolarHBondContact CA-O 3.48Å; N28-T81 HydrophobicContact CB-CG2 3.74Å |
| 29 | I | 90.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 100.6 | 177.4 | -50.6 | 160.4 | 0 | 0 | 0 | 108.5 | A17 Q18 A21 H33 L78 H79 Y80 T81 A84 | A17-I29 HydrophobicContact CB-CG2 4.26Å; Q18-I29 HydrophobicContact CG-CD1 3.55Å; A21-I29 HydrophobicContact CB-CG1 4.09Å; I29-H33 HydrophobicContact CG2-CB 3.75Å; I29-L78 HydrophobicContact CD1-CB 4.12Å; I29-L78 HydrophobicContact CG1-CB 4.2Å; I29-H79 PolarHBondContact N-O 3.17Å; I29-Y80 HydrophobicContact CB-CD1 3.8Å; I29-Y80 HydrophobicContact CB-CE1 4.16Å; I29-Y80 HydrophobicContact CB-CG 4.43Å; I29-Y80 HydrophobicContact CD1-CD1 3.97Å; I29-Y80 HydrophobicContact CD1-CD2 4.39Å; I29-Y80 HydrophobicContact CD1-CE1 3.76Å; I29-Y80 HydrophobicContact CD1-CE2 4.19Å; I29-Y80 HydrophobicContact CD1-CG 4.29Å; I29-Y80 HydrophobicContact CG2-CD1 3.76Å; I29-Y80 HydrophobicContact CG2-CE1 3.78Å; I29-T81 PolarHBondContact O-N 3.19Å; I29-T81 PolarHBondContact O-OG1 2.81Å; I29-T81 VanDerWaalsContact O-OG1 3.14Å; I29-A84 WeakPolarHBondContact O-CB 3.48Å |
| 30 | G | 91.4 | Very high | 89.6 | Confident | 3 Ų | 3 | 23.8 Ų | 23.8 | 3% | 0.031 | 12% | 0.119 | C | C | . | . | trans | -81.1 | -178.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | N28 E32 H33 T81 | N28-G30 PolarHBondContact O-N 3.35Å; G30-E32 VanDerWaalsContact C-N 3.27Å; G30-E32 VanDerWaalsContact CA-OE1 3.25Å; G30-E32 WeakPolarHBondContact CA-OE1 3.18Å; G30-E32 WeakPolarHBondContact CA-OE2 3.37Å; G30-E32 PolarHBondContact O-N 2.83Å; G30-H33 PolarHBondContact N-ND1 3.1Å; G30-H33 PolarHBondContact O-N 3.3Å; G30-T81 WeakPolarHBondContact CA-OG1 3.22Å | ||
| 31 | T | 93 | Very high | 89.5 | Confident | 4 Ų | 4 | 24.5 Ų | 24.5 | 3% | 0.025 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.8 | -30.8 | 178.8 | 52.6 | 0 | 0 | 0 | 0 | 113.2 | H33 L34 L35 R83 V87 V119 A120 | T31-H33 VanDerWaalsContact C-N 3.34Å; T31-L34 WeakPolarHBondContact O-CB 3.46Å; T31-L34 PolarHBondContact O-N 3.03Å; T31-L35 PolarHBondContact O-N 3.05Å; T31-R83 HydrophobicContact CG2-CB 3.92Å; T31-V87 HydrophobicContact CG2-CG2 3.93Å; T31-V119 PolarHBondContact OG1-N 3.28Å; T31-V119 VanDerWaalsContact OG1-N 3.14Å; T31-A120 PolarHBondContact OG1-N 2.96Å |
| 32 | E | 91.2 | Very high | 89 | Confident | 17 Ų | 17 | 28.4 Ų | 28.4 | 8% | 0.079 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63 | -39.2 | 177.2 | 61 | -75 | 173.7 | 0 | 0 | 112 | G30 L34 L35 L36 V64 I68 V119 | G30-E32 VanDerWaalsContact C-N 3.27Å; G30-E32 VanDerWaalsContact CA-OE1 3.25Å; G30-E32 WeakPolarHBondContact CA-OE1 3.18Å; G30-E32 WeakPolarHBondContact CA-OE2 3.37Å; G30-E32 PolarHBondContact O-N 2.83Å; E32-L34 VanDerWaalsContact C-N 3.35Å; E32-L35 WeakPolarHBondContact O-CB 3.39Å; E32-L35 PolarHBondContact O-N 3.47Å; E32-L36 VanDerWaalsContact O-CG 3.31Å; E32-L36 WeakPolarHBondContact O-CG 3.41Å; E32-L36 PolarHBondContact O-N 3.02Å; E32-V64 HydrophobicContact CB-CG1 3.83Å; E32-V64 HydrophobicContact CB-CG2 3.97Å; E32-V64 HydrophobicContact CG-CG1 4.04Å; E32-I68 HydrophobicContact CB-CD1 4.33Å; E32-I68 HydrophobicContact CG-CD1 3.46Å; E32-I68 VanDerWaalsContact CG-CD1 3.46Å; E32-I68 WeakPolarHBondContact OE1-CD1 3.15Å; E32-V119 HydrophobicContact CB-CB 3.98Å; E32-V119 HydrophobicContact CB-CG1 3.87Å; E32-V119 HydrophobicContact CG-CB 4.41Å; E32-V119 HydrophobicContact CG-CG1 4.43Å; E32-V119 WeakPolarHBondContact OE2-CB 3.48Å |
| 33 | H | 92.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -70.1 | -36.3 | 177.8 | -56 | 104.7 | 0 | 0 | 0 | 111.1 | A17 A21 H26 N28 I29 G30 T31 L35 L36 G37 | A17-H33 VanDerWaalsContact CA-O 3.3Å; A17-H33 WeakPolarHBondContact CA-O 3.37Å; A17-H33 VanDerWaalsContact CB-C 3.49Å; A17-H33 HydrophobicContact CB-CB 4.06Å; A17-H33 WeakPolarHBondContact CB-O 3.48Å; A17-H33 WeakPolarHBondContact O-CB 3.4Å; A21-H33 WeakPolarHBondContact CA-CD2 3.41Å; A21-H33 WeakPolarHBondContact CA-NE2 3.33Å; A21-H33 PolarHBondContact N-CD2 3.08Å; H26-H33 AromaticContact CE1-NE2 3.93Å; H26-H33 AromaticContact CG-CE1 3.84Å; H26-H33 AromaticContact CG-NE2 3.63Å; H26-H33 AromaticContact ND1-CE1 3.2Å; H26-H33 PolarHBondContact ND1-CE1 3.28Å; H26-H33 AromaticContact ND1-NE2 2.85Å; H26-H33 PolarHBondContact ND1-NE2 3.45Å; N28-H33 PolarHBondContact O-CE1 3.31Å; I29-H33 HydrophobicContact CG2-CB 3.75Å; G30-H33 PolarHBondContact N-ND1 3.1Å; G30-H33 PolarHBondContact O-N 3.3Å; T31-H33 VanDerWaalsContact C-N 3.34Å; H33-L35 VanDerWaalsContact C-N 3.32Å; H33-L36 PolarHBondContact O-N 3.17Å; H33-G37 PolarHBondContact O-N 2.95Å |
| 34 | L | 92.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.8 | -40 | 172.2 | -65.1 | 177.8 | 0 | 0 | 0 | 111.4 | L14 A17 T31 E32 G37 L38 Y80 A84 V87 L112 | L14-L34 HydrophobicContact CD2-CD2 3.42Å; L14-L34 VanDerWaalsContact CD2-CD2 3.42Å; A17-L34 HydrophobicContact CB-CD2 3.96Å; T31-L34 WeakPolarHBondContact O-CB 3.46Å; T31-L34 PolarHBondContact O-N 3.03Å; E32-L34 VanDerWaalsContact C-N 3.35Å; L34-G37 PolarHBondContact O-N 3.18Å; L34-L38 WeakPolarHBondContact O-CG 3.43Å; L34-L38 PolarHBondContact O-N 3.35Å; L34-Y80 HydrophobicContact CD2-CE1 4.32Å; L34-A84 HydrophobicContact CD1-CB 3.94Å; L34-V87 HydrophobicContact CD1-CB 3.98Å; L34-V87 HydrophobicContact CD1-CG1 3.74Å; L34-L112 HydrophobicContact CB-CD1 4.35Å; L34-L112 HydrophobicContact CB-CD2 4.3Å |
| 35 | L | 92.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.9 | -45.8 | 175.3 | 179.4 | 58.2 | 0 | 0 | 0 | 111.6 | T31 E32 H33 G37 L38 M39 L50 V60 L112 A120 V123 F124 | T31-L35 PolarHBondContact O-N 3.05Å; E32-L35 WeakPolarHBondContact O-CB 3.39Å; E32-L35 PolarHBondContact O-N 3.47Å; H33-L35 VanDerWaalsContact C-N 3.32Å; L35-G37 VanDerWaalsContact C-N 3.33Å; L35-G37 PolarHBondContact O-N 2.6Å; L35-L38 WeakPolarHBondContact O-CB 3.2Å; L35-L38 PolarHBondContact O-N 2.74Å; L35-M39 WeakPolarHBondContact O-CG 3.38Å; L35-M39 PolarHBondContact O-N 2.98Å; L35-M39 VanDerWaalsContact O-N 3.14Å; L35-L50 HydrophobicContact CD1-CD1 3.91Å; L35-V60 HydrophobicContact CD2-CG1 3.84Å; L35-V60 HydrophobicContact CG-CG1 3.86Å; L35-L112 HydrophobicContact CB-CD1 4.25Å; L35-L112 HydrophobicContact CD1-CD1 4.46Å; L35-A120 HydrophobicContact CB-CB 4.16Å; L35-A120 HydrophobicContact CD2-CB 4.1Å; L35-V123 HydrophobicContact CD2-CB 4.08Å; L35-V123 HydrophobicContact CD2-CG1 3.83Å; L35-F124 HydrophobicContact CD1-CE1 3.57Å; L35-F124 HydrophobicContact CD1-CZ 3.53Å; L35-F124 HydrophobicContact CD2-CD1 4.4Å; L35-F124 HydrophobicContact CD2-CE1 3.9Å; L35-F124 HydrophobicContact CD2-CZ 4.15Å; L35-F124 HydrophobicContact CG-CE1 4.4Å; L35-F124 HydrophobicContact CG-CZ 4.45Å |
| 36 | L | 91.8 | Very high | 88.5 | Confident | 3 Ų | 3 | 23.6 Ų | 23.6 | 2% | 0.016 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.7 | -41.3 | 174.8 | -70.5 | 170.6 | 0 | 0 | 0 | 111.7 | E20 L24 E32 H33 L38 M39 K40 V60 I61 V64 | E20-L36 HydrophobicContact CB-CB 4.32Å; E20-L36 HydrophobicContact CB-CD1 4.21Å; E20-L36 HydrophobicContact CG-CB 3.94Å; E20-L36 HydrophobicContact CG-CD1 4.38Å; L24-L36 HydrophobicContact CD1-CD1 3.96Å; E32-L36 VanDerWaalsContact O-CG 3.31Å; E32-L36 WeakPolarHBondContact O-CG 3.41Å; E32-L36 PolarHBondContact O-N 3.02Å; H33-L36 PolarHBondContact O-N 3.17Å; L36-L38 VanDerWaalsContact C-N 3.28Å; L36-L38 PolarHBondContact O-N 3.29Å; L36-M39 PolarHBondContact O-N 2.98Å; L36-M39 VanDerWaalsContact O-N 3.14Å; L36-K40 PolarHBondContact O-N 2.87Å; L36-V60 HydrophobicContact CD2-CB 4.45Å; L36-V60 HydrophobicContact CD2-CG1 3.78Å; L36-V60 HydrophobicContact CG-CG1 4.44Å; L36-I61 HydrophobicContact CD2-CB 4.4Å; L36-I61 HydrophobicContact CD2-CG1 3.49Å; L36-I61 VanDerWaalsContact CD2-CG1 3.49Å; L36-V64 HydrophobicContact CD1-CG1 4.09Å; L36-V64 HydrophobicContact CG-CG2 4.43Å |
| 37 | G | 92.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.8 | -33.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | H33 L34 L35 | H33-G37 PolarHBondContact O-N 2.95Å; L34-G37 PolarHBondContact O-N 3.18Å; L35-G37 VanDerWaalsContact C-N 3.33Å; L35-G37 PolarHBondContact O-N 2.6Å |
| 38 | L | 92.4 | Very high | 88.7 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -70.2 | -37.7 | 173.2 | -74.5 | 172 | 0 | 0 | 0 | 112.4 | V13 L34 L35 L36 E41 A46 T105 I108 L109 L112 | V13-L38 HydrophobicContact CB-CD2 4.38Å; V13-L38 HydrophobicContact CG1-CD2 3.63Å; V13-L38 HydrophobicContact CG1-CG 3.81Å; V13-L38 HydrophobicContact CG2-CD2 3.86Å; L34-L38 WeakPolarHBondContact O-CG 3.43Å; L34-L38 PolarHBondContact O-N 3.35Å; L35-L38 WeakPolarHBondContact O-CB 3.2Å; L35-L38 PolarHBondContact O-N 2.74Å; L36-L38 VanDerWaalsContact C-N 3.28Å; L36-L38 PolarHBondContact O-N 3.29Å; L38-E41 PolarHBondContact O-N 3.13Å; L38-A46 HydrophobicContact CB-CB 4.41Å; L38-A46 HydrophobicContact CD1-CB 4.3Å; L38-A46 HydrophobicContact CD2-CB 3.68Å; L38-A46 HydrophobicContact CG-CB 4.37Å; L38-T105 WeakPolarHBondContact CD2-O 3.45Å; L38-I108 HydrophobicContact CD1-CG2 4.03Å; L38-I108 HydrophobicContact CD2-CB 4.06Å; L38-I108 HydrophobicContact CD2-CG2 4.06Å; L38-I108 HydrophobicContact CG-CG2 4.2Å; L38-L109 HydrophobicContact CD1-CB 4.01Å; L38-L109 HydrophobicContact CD1-CD1 4.26Å; L38-L112 HydrophobicContact CD1-CD1 3.41Å; L38-L112 VanDerWaalsContact CD1-CD1 3.41Å |
| 39 | M | 90.1 | Very high | 88.7 | Confident | 9 Ų | 9 | 22.8 Ų | 22.8 | 4% | 0.044 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -70.5 | -33.6 | 178.7 | -65.5 | -55.5 | -67.9 | 0 | 0 | 112.3 | L35 L36 E41 L50 I55 E57 V60 | L35-M39 WeakPolarHBondContact O-CG 3.38Å; L35-M39 PolarHBondContact O-N 2.98Å; L35-M39 VanDerWaalsContact O-N 3.14Å; L36-M39 PolarHBondContact O-N 2.98Å; L36-M39 VanDerWaalsContact O-N 3.14Å; M39-E41 PolarHBondContact O-N 3.3Å; M39-L50 HydrophobicContact CE-CB 4.37Å; M39-L50 HydrophobicContact CG-CD1 4.5Å; M39-L50 HydrophobicContact SD-CB 3.78Å; M39-L50 HydrophobicContact SD-CD1 3.38Å; M39-L50 WeakPolarHBondContact SD-CD1 3.24Å; M39-L50 HydrophobicContact SD-CG 4.21Å; M39-I55 HydrophobicContact CE-CG2 4.47Å; M39-I55 VanDerWaalsContact CE-O 3.25Å; M39-I55 WeakPolarHBondContact CE-O 3.22Å; M39-E57 HydrophobicContact CB-CB 4.15Å; M39-E57 HydrophobicContact CB-CG 4.05Å; M39-E57 HydrophobicContact CE-CB 4.47Å; M39-V60 HydrophobicContact CG-CB 4.47Å; M39-V60 HydrophobicContact CG-CG2 4.15Å |
| 40 | K | 88.6 | Confident | 88.6 | Confident | 58 Ų | 58 | 22.8 Ų | 22.8 | 25% | 0.252 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -14.5 | 176.6 | -89.2 | -173.7 | 154.7 | -174.2 | 0 | 115.4 | H16 E19 E20 L36 P42 E57 | H16-K40 HydrophobicContact CB-CB 4.16Å; H16-K40 HydrophobicContact CB-CD 4.03Å; E19-K40 IonicContact OE2-NZ 3.87Å; E20-K40 HydrophobicContact CG-CD 4.16Å; E20-K40 WeakPolarHBondContact OE1-CE 3.32Å; E20-K40 IonicContact OE1-NZ 3.68Å; E20-K40 PolarHBondContact OE1-NZ 3.33Å; L36-K40 PolarHBondContact O-N 2.87Å; K40-P42 VanDerWaalsContact C-CD 3.45Å; K40-P42 WeakPolarHBondContact O-CD 3.29Å; K40-E57 WeakPolarHBondContact CG-OE1 3.24Å |
| 41 | E | 87.1 | Confident | 88.4 | Confident | 16 Ų | 16 | 27.5 Ų | 27.5 | 8% | 0.075 | 14% | 0.135 | C | C | . | . | trans | -103.3 | 82.1 | 176 | -173.5 | 69.3 | -165.2 | 0 | 0 | 109.6 | R12 V13 H16 L38 M39 E43 G44 A47 | R12-E41 IonicContact NH1-OE1 2.83Å; V13-E41 HydrophobicContact CG2-CB 4.08Å; H16-E41 IonicContact NE2-OE2 3.98Å; L38-E41 PolarHBondContact O-N 3.13Å; M39-E41 PolarHBondContact O-N 3.3Å; E41-E43 PolarHBondContact O-N 2.83Å; E41-E43 VanDerWaalsContact O-N 3.17Å; E41-G44 PolarHBondContact O-N 3.42Å; E41-A47 WeakPolarHBondContact O-CB 3.38Å | ||
| 42 | P | 77.2 | Confident | 88.1 | Confident | 81 Ų | 81 | 30 Ų | 30 | 53% | 0.526 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -22.5 | -171.2 | 25.7 | -36 | 0 | 0 | 0 | 113.5 | K40 G44 | K40-P42 VanDerWaalsContact C-CD 3.45Å; K40-P42 WeakPolarHBondContact O-CD 3.29Å; P42-G44 VanDerWaalsContact C-N 3.25Å; P42-G44 PolarHBondContact O-N 2.96Å |
| 43 | E | 80.8 | Confident | 87.8 | Confident | 111 Ų | 111 | 31.6 Ų | 31.6 | 52% | 0.519 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -15.4 | 174.7 | -67.3 | -160.4 | 170.7 | 0 | 0 | 113.6 | R9 E41 | R9-E43 IonicContact CZ-OE2 2.81Å; R9-E43 IonicContact NE-OE2 2.77Å; R9-E43 IonicContact NH2-OE2 3.67Å; R9-E43 PolarHBondContact NH2-OE2 3.19Å; E41-E43 PolarHBondContact O-N 2.83Å; E41-E43 VanDerWaalsContact O-N 3.17Å |
| 44 | G | 82 | Confident | 87.4 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -65.4 | 145 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E41 P42 A46 A47 K48 | E41-G44 PolarHBondContact O-N 3.42Å; P42-G44 VanDerWaalsContact C-N 3.25Å; P42-G44 PolarHBondContact O-N 2.96Å; G44-A46 PolarHBondContact O-N 2.91Å; G44-A47 PolarHBondContact O-N 2.74Å; G44-K48 WeakPolarHBondContact O-CG 3.41Å; G44-K48 PolarHBondContact O-N 3.36Å |
| 45 | I | 86.2 | Confident | 87.1 | Confident | 48 Ų | 48 | 37.6 Ų | 37.6 | 25% | 0.246 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.7 | -36.2 | 173.9 | -62.7 | 172.8 | 0 | 0 | 0 | 109.5 | K48 V49 T105 E106 A141 | I45-K48 PolarHBondContact O-N 3.39Å; I45-V49 HydrophobicContact CG2-CG2 4.22Å; I45-V49 VanDerWaalsContact O-CG2 3.23Å; I45-V49 WeakPolarHBondContact O-CG2 3.31Å; I45-V49 PolarHBondContact O-N 3.41Å; I45-T105 PolarHBondContact N-OG1 3.42Å; I45-E106 HydrophobicContact CB-CB 4.08Å; I45-E106 HydrophobicContact CD1-CG 4.43Å; I45-E106 HydrophobicContact CG2-CB 4.03Å; I45-A141 HydrophobicContact CG2-CB 3.72Å |
| 46 | A | 88.2 | Confident | 86.8 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.6 | -49.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | L38 G44 V49 L50 L109 | L38-A46 HydrophobicContact CB-CB 4.41Å; L38-A46 HydrophobicContact CD1-CB 4.3Å; L38-A46 HydrophobicContact CD2-CB 3.68Å; L38-A46 HydrophobicContact CG-CB 4.37Å; G44-A46 PolarHBondContact O-N 2.91Å; A46-V49 PolarHBondContact O-N 3.5Å; A46-L50 WeakPolarHBondContact O-CG 3.42Å; A46-L50 PolarHBondContact O-N 3.2Å; A46-L109 HydrophobicContact CB-CB 3.71Å; A46-L109 HydrophobicContact CB-CD2 3.85Å; A46-L109 HydrophobicContact CB-CG 4.35Å |
| 47 | A | 87.9 | Confident | 86.5 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.5 | -48.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111 | E41 G44 V49 L50 E51 | E41-A47 WeakPolarHBondContact O-CB 3.38Å; G44-A47 PolarHBondContact O-N 2.74Å; A47-V49 VanDerWaalsContact C-N 3.3Å; A47-V49 PolarHBondContact O-N 2.86Å; A47-L50 PolarHBondContact O-N 3.24Å; A47-L50 VanDerWaalsContact O-N 3.1Å; A47-E51 WeakPolarHBondContact O-CG 3.25Å; A47-E51 PolarHBondContact O-N 3.09Å |
| 48 | K | 87 | Confident | 86.3 | Confident | 120 Ų | 120 | 49.3 Ų | 49.3 | 52% | 0.522 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60 | -37.8 | 177.9 | -69 | 177.5 | -177.8 | 173.8 | 0 | 113.4 | G44 I45 S52 | G44-K48 WeakPolarHBondContact O-CG 3.41Å; G44-K48 PolarHBondContact O-N 3.36Å; I45-K48 PolarHBondContact O-N 3.39Å; K48-S52 PolarHBondContact O-N 3.35Å |
| 49 | V | 87.8 | Confident | 86 | Confident | 5 Ų | 5 | 53.7 Ų | 53.7 | 3% | 0.03 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.4 | -46 | 175.2 | 172.4 | 0 | 0 | 0 | 0 | 110 | I45 A46 A47 E51 S52 F53 L109 Q137 V138 A141 | I45-V49 HydrophobicContact CG2-CG2 4.22Å; I45-V49 VanDerWaalsContact O-CG2 3.23Å; I45-V49 WeakPolarHBondContact O-CG2 3.31Å; I45-V49 PolarHBondContact O-N 3.41Å; A46-V49 PolarHBondContact O-N 3.5Å; A47-V49 VanDerWaalsContact C-N 3.3Å; A47-V49 PolarHBondContact O-N 2.86Å; V49-E51 PolarHBondContact O-N 3.14Å; V49-S52 WeakPolarHBondContact O-CB 3.41Å; V49-S52 PolarHBondContact O-N 2.85Å; V49-S52 PolarHBondContact O-OG 3.41Å; V49-F53 HydrophobicContact CG1-CD2 4.35Å; V49-F53 HydrophobicContact CG1-CE2 4.07Å; V49-F53 VanDerWaalsContact O-CD2 3.27Å; V49-F53 WeakPolarHBondContact O-CD2 3.4Å; V49-L109 HydrophobicContact CB-CD2 4.29Å; V49-L109 HydrophobicContact CG1-CD2 4.33Å; V49-Q137 HydrophobicContact CG1-CB 4.31Å; V49-Q137 HydrophobicContact CG1-CG 4.38Å; V49-V138 HydrophobicContact CB-CG2 4.2Å; V49-V138 HydrophobicContact CG1-CG2 3.77Å; V49-V138 HydrophobicContact CG2-CG2 4.04Å; V49-A141 HydrophobicContact CG2-CB 4.19Å |
| 50 | L | 88.7 | Confident | 85.9 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 178.6 | -69.9 | 171.7 | 0 | 0 | 0 | 112.1 | L35 M39 A46 A47 S52 F53 I55 L109 F124 L129 | L35-L50 HydrophobicContact CD1-CD1 3.91Å; M39-L50 HydrophobicContact CE-CB 4.37Å; M39-L50 HydrophobicContact CG-CD1 4.5Å; M39-L50 HydrophobicContact SD-CB 3.78Å; M39-L50 HydrophobicContact SD-CD1 3.38Å; M39-L50 WeakPolarHBondContact SD-CD1 3.24Å; M39-L50 HydrophobicContact SD-CG 4.21Å; A46-L50 WeakPolarHBondContact O-CG 3.42Å; A46-L50 PolarHBondContact O-N 3.2Å; A47-L50 PolarHBondContact O-N 3.24Å; A47-L50 VanDerWaalsContact O-N 3.1Å; L50-S52 VanDerWaalsContact C-N 3.26Å; L50-S52 PolarHBondContact O-N 3.04Å; L50-F53 PolarHBondContact O-N 2.73Å; L50-I55 CarbonylContact C-O 3.46Å; L50-I55 HydrophobicContact CB-CB 4.3Å; L50-I55 HydrophobicContact CB-CG2 4.42Å; L50-I55 HydrophobicContact CD2-CD1 4.17Å; L50-I55 WeakPolarHBondContact O-CB 3.37Å; L50-I55 PolarHBondContact O-N 3.02Å; L50-I55 VanDerWaalsContact O-N 3.13Å; L50-L109 HydrophobicContact CD1-CD1 4.03Å; L50-L109 HydrophobicContact CD1-CD2 4.48Å; L50-L109 HydrophobicContact CD2-CD1 4.17Å; L50-L109 HydrophobicContact CG-CD1 4.26Å; L50-L109 HydrophobicContact CG-CD2 4.14Å; L50-F124 HydrophobicContact CD2-CE1 3.81Å; L50-F124 HydrophobicContact CD2-CZ 4.46Å; L50-L129 HydrophobicContact CD2-CD2 4.07Å |
| 51 | E | 87.2 | Confident | 85.9 | Confident | 102 Ų | 102 | 51.7 Ų | 51.7 | 48% | 0.477 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.3 | -38.6 | 173.4 | -76.9 | 179.5 | 173.5 | 0 | 0 | 112.3 | A47 V49 F53 N54 | A47-E51 WeakPolarHBondContact O-CG 3.25Å; A47-E51 PolarHBondContact O-N 3.09Å; V49-E51 PolarHBondContact O-N 3.14Å; E51-F53 PolarHBondContact O-N 3.24Å; E51-N54 WeakPolarHBondContact O-CA 3.32Å; E51-N54 PolarHBondContact O-N 3.32Å |
| 52 | S | 85.8 | Confident | 85.9 | Confident | 57 Ų | 57 | 56 Ų | 56 | 40% | 0.399 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.2 | -16.9 | 178.2 | 78.3 | 0 | 0 | 0 | 0 | 114.3 | K48 V49 L50 Q137 | K48-S52 PolarHBondContact O-N 3.35Å; V49-S52 WeakPolarHBondContact O-CB 3.41Å; V49-S52 PolarHBondContact O-N 2.85Å; V49-S52 PolarHBondContact O-OG 3.41Å; L50-S52 VanDerWaalsContact C-N 3.26Å; L50-S52 PolarHBondContact O-N 3.04Å; S52-Q137 VanDerWaalsContact CB-NE2 3.35Å; S52-Q137 VanDerWaalsContact OG-CD 3.32Å; S52-Q137 PolarHBondContact OG-NE2 2.85Å |
| 53 | F | 86 | Confident | 86.4 | Confident | 51 Ų | 51 | 53.6 Ų | 53.6 | 22% | 0.224 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 15.2 | 170 | -70.9 | -82.2 | 0 | 0 | 0 | 112.6 | V49 L50 E51 I55 L129 K133 A134 Q137 | V49-F53 HydrophobicContact CG1-CD2 4.35Å; V49-F53 HydrophobicContact CG1-CE2 4.07Å; V49-F53 VanDerWaalsContact O-CD2 3.27Å; V49-F53 WeakPolarHBondContact O-CD2 3.4Å; L50-F53 PolarHBondContact O-N 2.73Å; E51-F53 PolarHBondContact O-N 3.24Å; F53-I55 HydrophobicContact CB-CD1 4.42Å; F53-I55 HydrophobicContact CB-CG1 4.39Å; F53-I55 PolarHBondContact O-N 3.42Å; F53-L129 HydrophobicContact CB-CD1 3.63Å; F53-L129 HydrophobicContact CD1-CD1 3.82Å; F53-L129 HydrophobicContact CD2-CD1 3.68Å; F53-L129 HydrophobicContact CE1-CD1 4.44Å; F53-L129 HydrophobicContact CE2-CD1 4.35Å; F53-L129 HydrophobicContact CG-CD1 3.42Å; F53-L129 VanDerWaalsContact CG-CD1 3.42Å; F53-K133 HydrophobicContact CE1-CB 3.94Å; F53-K133 HydrophobicContact CZ-CB 3.89Å; F53-A134 HydrophobicContact CE2-CB 3.98Å; F53-A134 HydrophobicContact CZ-CB 4.23Å; F53-Q137 HydrophobicContact CE2-CB 4.3Å |
| 54 | N | 83.4 | Confident | 86.7 | Confident | 123 Ų | 123 | 48.4 Ų | 48.4 | 66% | 0.658 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 25 | -174.8 | -65.2 | -34.9 | 0 | 0 | 0 | 114.3 | E51 K59 | E51-N54 WeakPolarHBondContact O-CA 3.32Å; E51-N54 PolarHBondContact O-N 3.32Å; N54-K59 PolarHBondContact O-NZ 3.14Å |
| 55 | I | 86.2 | Confident | 86.9 | Confident | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.015 | 26% | 0.258 | C | S | . | . | trans | -93.2 | 103.9 | 172.6 | -60.6 | 178 | 0 | 0 | 0 | 107.6 | M39 L50 F53 V60 L127 L129 | M39-I55 HydrophobicContact CE-CG2 4.47Å; M39-I55 VanDerWaalsContact CE-O 3.25Å; M39-I55 WeakPolarHBondContact CE-O 3.22Å; L50-I55 CarbonylContact C-O 3.46Å; L50-I55 HydrophobicContact CB-CB 4.3Å; L50-I55 HydrophobicContact CB-CG2 4.42Å; L50-I55 HydrophobicContact CD2-CD1 4.17Å; L50-I55 WeakPolarHBondContact O-CB 3.37Å; L50-I55 PolarHBondContact O-N 3.02Å; L50-I55 VanDerWaalsContact O-N 3.13Å; F53-I55 HydrophobicContact CB-CD1 4.42Å; F53-I55 HydrophobicContact CB-CG1 4.39Å; F53-I55 PolarHBondContact O-N 3.42Å; I55-V60 HydrophobicContact CG2-CG2 3.31Å; I55-L127 HydrophobicContact CD1-CB 4.15Å; I55-L127 HydrophobicContact CD1-CD1 4.32Å; I55-L127 HydrophobicContact CG1-CB 4.25Å; I55-L127 HydrophobicContact CG1-CD1 4.21Å; I55-L127 HydrophobicContact CG2-CD1 3.86Å; I55-L129 HydrophobicContact CD1-CB 3.96Å; I55-L129 HydrophobicContact CD1-CD1 3.8Å; I55-L129 HydrophobicContact CD1-CD2 4.21Å; I55-L129 HydrophobicContact CD1-CG 4.19Å | ||
| 56 | T | 85.9 | Confident | 86.9 | Confident | 59 Ų | 59 | 55.7 Ų | 55.7 | 36% | 0.362 | 27% | 0.274 | S | S | . | . | trans | -97.8 | 158.7 | 176.1 | 55.6 | 0 | 0 | 0 | 0 | 110.3 | D58 K59 V60 | T56-D58 VanDerWaalsContact C-N 3.28Å; T56-D58 PolarHBondContact O-N 3.18Å; T56-K59 PolarHBondContact O-N 3.14Å; T56-K59 VanDerWaalsContact O-N 3.14Å; T56-K59 WeakPolarHBondContact OG1-CG 3.3Å; T56-V60 PolarHBondContact O-N 3.36Å | ||
| 57 | E | 86.7 | Confident | 86.7 | Confident | 67 Ų | 67 | 58.6 Ų | 58.6 | 31% | 0.313 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -52.2 | -47.4 | 179.8 | -174.3 | -178.7 | 172.6 | 0 | 0 | 111.6 | M39 K40 K59 V60 I61 | M39-E57 HydrophobicContact CB-CB 4.15Å; M39-E57 HydrophobicContact CB-CG 4.05Å; M39-E57 HydrophobicContact CE-CB 4.47Å; K40-E57 WeakPolarHBondContact CG-OE1 3.24Å; E57-K59 VanDerWaalsContact C-N 3.31Å; E57-K59 PolarHBondContact O-N 3Å; E57-V60 PolarHBondContact O-N 3.48Å; E57-V60 VanDerWaalsContact O-N 3.09Å; E57-I61 HydrophobicContact CG-CD1 3.81Å; E57-I61 HydrophobicContact CG-CG1 4.39Å; E57-I61 WeakPolarHBondContact O-CG1 3.27Å; E57-I61 PolarHBondContact O-N 3.3Å |
| 58 | D | 87.2 | Confident | 86.4 | Confident | 122 Ų | 122 | 61.8 Ų | 61.8 | 65% | 0.652 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -57.2 | -40.9 | 180 | -60.2 | -37 | 0 | 0 | 0 | 113.1 | T56 I61 E62 | T56-D58 VanDerWaalsContact C-N 3.28Å; T56-D58 PolarHBondContact O-N 3.18Å; D58-I61 PolarHBondContact O-N 2.98Å; D58-E62 WeakPolarHBondContact O-CB 3.35Å; D58-E62 PolarHBondContact O-N 2.86Å |
| 59 | K | 87.1 | Confident | 86 | Confident | 94 Ų | 94 | 57.4 Ų | 57.4 | 41% | 0.409 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -68.4 | -38.3 | 178.6 | -71.5 | -178.9 | -175.1 | 177.1 | 0 | 111.7 | N54 T56 E57 E63 L127 | N54-K59 PolarHBondContact O-NZ 3.14Å; T56-K59 PolarHBondContact O-N 3.14Å; T56-K59 VanDerWaalsContact O-N 3.14Å; T56-K59 WeakPolarHBondContact OG1-CG 3.3Å; E57-K59 VanDerWaalsContact C-N 3.31Å; E57-K59 PolarHBondContact O-N 3Å; K59-E63 WeakPolarHBondContact O-CB 3.43Å; K59-E63 PolarHBondContact O-N 3.46Å; K59-E63 VanDerWaalsContact O-N 3.09Å; K59-L127 HydrophobicContact CB-CD2 4.29Å |
| 60 | V | 87.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67 | -43.5 | 176.9 | 177.4 | 0 | 0 | 0 | 0 | 109.8 | L35 L36 M39 I55 T56 E57 E63 V64 V123 L127 | L35-V60 HydrophobicContact CD2-CG1 3.84Å; L35-V60 HydrophobicContact CG-CG1 3.86Å; L36-V60 HydrophobicContact CD2-CB 4.45Å; L36-V60 HydrophobicContact CD2-CG1 3.78Å; L36-V60 HydrophobicContact CG-CG1 4.44Å; M39-V60 HydrophobicContact CG-CB 4.47Å; M39-V60 HydrophobicContact CG-CG2 4.15Å; I55-V60 HydrophobicContact CG2-CG2 3.31Å; T56-V60 PolarHBondContact O-N 3.36Å; E57-V60 PolarHBondContact O-N 3.48Å; E57-V60 VanDerWaalsContact O-N 3.09Å; V60-E63 PolarHBondContact O-N 2.9Å; V60-V64 HydrophobicContact CG1-CG2 4.17Å; V60-V64 WeakPolarHBondContact O-CB 3.44Å; V60-V64 WeakPolarHBondContact O-CG2 3.43Å; V60-V64 PolarHBondContact O-N 3.19Å; V60-V123 HydrophobicContact CG1-CG1 4.27Å; V60-L127 HydrophobicContact CG2-CD1 4.15Å |
| 61 | I | 87.4 | Confident | 84.8 | Confident | 24 Ų | 24 | 63.6 Ų | 63.6 | 12% | 0.123 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.4 | -51.2 | 176.4 | -68.6 | 168.7 | 0 | 0 | 0 | 110.4 | L36 E57 D58 E63 V64 E65 | L36-I61 HydrophobicContact CD2-CB 4.4Å; L36-I61 HydrophobicContact CD2-CG1 3.49Å; L36-I61 VanDerWaalsContact CD2-CG1 3.49Å; E57-I61 HydrophobicContact CG-CD1 3.81Å; E57-I61 HydrophobicContact CG-CG1 4.39Å; E57-I61 WeakPolarHBondContact O-CG1 3.27Å; E57-I61 PolarHBondContact O-N 3.3Å; D58-I61 PolarHBondContact O-N 2.98Å; I61-E63 VanDerWaalsContact C-N 3.26Å; I61-E63 PolarHBondContact O-N 3.42Å; I61-V64 PolarHBondContact O-N 3.36Å; I61-E65 HydrophobicContact CG2-CG 4.29Å; I61-E65 WeakPolarHBondContact CG2-OE1 3.48Å; I61-E65 WeakPolarHBondContact O-CB 3.25Å; I61-E65 WeakPolarHBondContact O-CG 3.31Å; I61-E65 PolarHBondContact O-N 2.98Å |
| 62 | E | 87.8 | Confident | 83.7 | Confident | 107 Ų | 107 | 67.9 Ų | 67.9 | 50% | 0.5 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.7 | -39.6 | -179.4 | -164.5 | -169.9 | 156.5 | 0 | 0 | 111.7 | D58 K66 | D58-E62 WeakPolarHBondContact O-CB 3.35Å; D58-E62 PolarHBondContact O-N 2.86Å; E62-K66 WeakPolarHBondContact O-CB 3.43Å; E62-K66 VanDerWaalsContact O-CG 3.25Å; E62-K66 WeakPolarHBondContact O-CG 3.33Å; E62-K66 PolarHBondContact O-N 3.38Å; E62-K66 VanDerWaalsContact OE1-CE 3.28Å; E62-K66 WeakPolarHBondContact OE1-CE 3.49Å; E62-K66 IonicContact OE1-NZ 2.7Å; E62-K66 PolarHBondContact OE1-NZ 2.91Å |
| 63 | E | 87.5 | Confident | 82.6 | Confident | 31 Ų | 31 | 70 Ų | 70 | 15% | 0.145 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -75.3 | -37 | -179.7 | -158.4 | 59 | -155.1 | 0 | 0 | 112.9 | K59 V60 I61 K66 L67 V123 N126 | K59-E63 WeakPolarHBondContact O-CB 3.43Å; K59-E63 PolarHBondContact O-N 3.46Å; K59-E63 VanDerWaalsContact O-N 3.09Å; V60-E63 PolarHBondContact O-N 2.9Å; I61-E63 VanDerWaalsContact C-N 3.26Å; I61-E63 PolarHBondContact O-N 3.42Å; E63-K66 PolarHBondContact O-N 2.83Å; E63-K66 IonicContact OE2-NZ 3.99Å; E63-L67 HydrophobicContact CG-CD1 4.42Å; E63-L67 WeakPolarHBondContact O-CB 3.31Å; E63-L67 VanDerWaalsContact O-CG 3.27Å; E63-L67 WeakPolarHBondContact O-CG 3.46Å; E63-L67 PolarHBondContact O-N 3.36Å; E63-V123 HydrophobicContact CB-CG1 4.24Å; E63-V123 HydrophobicContact CB-CG2 4.47Å; E63-V123 HydrophobicContact CG-CG1 4.33Å; E63-V123 HydrophobicContact CG-CG2 4.32Å; E63-N126 HydrophobicContact CG-CB 4.04Å; E63-N126 WeakPolarHBondContact OE1-CB 3.43Å; E63-N126 PolarHBondContact OE1-ND2 3.41Å |
| 64 | V | 86.5 | Confident | 81.4 | Confident | 1 Ų | 1 | 76.6 Ų | 76.6 | 1% | 0.006 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.1 | -44.1 | 173.5 | 170.9 | 0 | 0 | 0 | 0 | 110.5 | L24 E32 L36 V60 I61 K66 L67 I68 V123 | L24-V64 HydrophobicContact CD1-CG1 4.2Å; E32-V64 HydrophobicContact CB-CG1 3.83Å; E32-V64 HydrophobicContact CB-CG2 3.97Å; E32-V64 HydrophobicContact CG-CG1 4.04Å; L36-V64 HydrophobicContact CD1-CG1 4.09Å; L36-V64 HydrophobicContact CG-CG2 4.43Å; V60-V64 HydrophobicContact CG1-CG2 4.17Å; V60-V64 WeakPolarHBondContact O-CB 3.44Å; V60-V64 WeakPolarHBondContact O-CG2 3.43Å; V60-V64 PolarHBondContact O-N 3.19Å; I61-V64 PolarHBondContact O-N 3.36Å; V64-K66 VanDerWaalsContact C-N 3.34Å; V64-K66 PolarHBondContact O-N 3.33Å; V64-L67 PolarHBondContact O-N 3.35Å; V64-I68 PolarHBondContact O-N 3.45Å; V64-V123 HydrophobicContact CG2-CG2 3.73Å |
| 65 | E | 86.4 | Confident | 80.2 | Confident | 70 Ų | 70 | 73.2 Ų | 73.2 | 33% | 0.327 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.4 | -37 | 176.8 | -74.1 | -177.8 | -178.4 | 0 | 0 | 112.1 | L24 I61 L67 G69 H70 | L24-E65 HydrophobicContact CD2-CG 4.01Å; I61-E65 HydrophobicContact CG2-CG 4.29Å; I61-E65 WeakPolarHBondContact CG2-OE1 3.48Å; I61-E65 WeakPolarHBondContact O-CB 3.25Å; I61-E65 WeakPolarHBondContact O-CG 3.31Å; I61-E65 PolarHBondContact O-N 2.98Å; E65-L67 VanDerWaalsContact C-N 3.34Å; E65-G69 WeakPolarHBondContact O-CA 3.31Å; E65-G69 PolarHBondContact O-N 3.2Å; E65-H70 IonicContact OE1-CE1 2.71Å; E65-H70 PolarHBondContact OE1-CE1 3.26Å |
| 66 | K | 86.5 | Confident | 79.3 | Confident | 133 Ų | 133 | 75.7 Ų | 75.7 | 58% | 0.578 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -64.5 | -36.1 | 172.2 | -78.9 | 171.3 | -171.8 | 162.1 | 0 | 113.1 | E62 E63 V64 | E62-K66 WeakPolarHBondContact O-CB 3.43Å; E62-K66 VanDerWaalsContact O-CG 3.25Å; E62-K66 WeakPolarHBondContact O-CG 3.33Å; E62-K66 PolarHBondContact O-N 3.38Å; E62-K66 VanDerWaalsContact OE1-CE 3.28Å; E62-K66 WeakPolarHBondContact OE1-CE 3.49Å; E62-K66 IonicContact OE1-NZ 2.7Å; E62-K66 PolarHBondContact OE1-NZ 2.91Å; E63-K66 PolarHBondContact O-N 2.83Å; E63-K66 IonicContact OE2-NZ 3.99Å; V64-K66 VanDerWaalsContact C-N 3.34Å; V64-K66 PolarHBondContact O-N 3.33Å |
| 67 | L | 84.7 | Confident | 78.9 | Confident | 61 Ų | 61 | 78.4 Ų | 78.4 | 32% | 0.319 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -82.6 | -35.3 | -174.1 | -74.7 | 171.2 | 0 | 0 | 0 | 113.9 | E63 V64 E65 V119 R122 V123 | E63-L67 HydrophobicContact CG-CD1 4.42Å; E63-L67 WeakPolarHBondContact O-CB 3.31Å; E63-L67 VanDerWaalsContact O-CG 3.27Å; E63-L67 WeakPolarHBondContact O-CG 3.46Å; E63-L67 PolarHBondContact O-N 3.36Å; V64-L67 PolarHBondContact O-N 3.35Å; E65-L67 VanDerWaalsContact C-N 3.34Å; L67-V119 HydrophobicContact CB-CG1 4.08Å; L67-V119 HydrophobicContact CD1-CG1 3.97Å; L67-R122 HydrophobicContact CD1-CB 3.91Å; L67-V123 HydrophobicContact CD1-CG2 3.65Å |
| 68 | I | 80.7 | Confident | 78.6 | Confident | 68 Ų | 68 | 77 Ų | 77 | 35% | 0.349 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -114.5 | -28.6 | -176.7 | -49.2 | -175.4 | 0 | 0 | 0 | 112.5 | H26 E32 V64 V119 | H26-I68 VanDerWaalsContact NE2-CG2 3.31Å; H26-I68 WeakPolarHBondContact NE2-CG2 3.5Å; E32-I68 HydrophobicContact CB-CD1 4.33Å; E32-I68 HydrophobicContact CG-CD1 3.46Å; E32-I68 VanDerWaalsContact CG-CD1 3.46Å; E32-I68 WeakPolarHBondContact OE1-CD1 3.15Å; V64-I68 PolarHBondContact O-N 3.45Å; I68-V119 HydrophobicContact CD1-CB 4.16Å; I68-V119 HydrophobicContact CD1-CG1 3.88Å; I68-V119 HydrophobicContact CD1-CG2 3.75Å; I68-V119 HydrophobicContact CG1-CG1 3.94Å; I68-V119 HydrophobicContact CG1-CG2 4.07Å |
| 69 | G | 79.6 | Confident | 78.6 | Confident | 27 Ų | 27 | 76.5 Ų | 76.5 | 28% | 0.278 | 40% | 0.401 | S | S | . | . | trans | 75.4 | -169.3 | -168.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | H26 E65 | H26-G69 PolarHBondContact NE2-O 3.46Å; E65-G69 WeakPolarHBondContact O-CA 3.31Å; E65-G69 PolarHBondContact O-N 3.2Å | ||
| 70 | H | 79.2 | Confident | 78.7 | Confident | 113 Ų | 113 | 73.7 Ų | 73.7 | 52% | 0.523 | 39% | 0.388 | S | S | . | . | trans | -95 | 136.7 | 168.1 | -74.5 | 37.6 | 0 | 0 | 0 | 109.3 | E65 | E65-H70 IonicContact OE1-CE1 2.71Å; E65-H70 PolarHBondContact OE1-CE1 3.26Å | ||
| 71 | G | 70.3 | Confident | 78.8 | Confident | 23 Ų | 23 | 75.4 Ų | 75.4 | 24% | 0.237 | 40% | 0.398 | C | S | . | . | trans | -69.6 | 157.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | L24 N25 | L24-G71 PolarHBondContact O-N 2.89Å; N25-G71 VanDerWaalsContact CB-O 3.27Å; N25-G71 WeakPolarHBondContact CB-O 3.36Å; N25-G71 WeakPolarHBondContact O-CA 3.5Å | ||
| 72 | Q | 66 | Low | 78.8 | Confident | 192 Ų | 192 | 79.7 Ų | 79.7 | 90% | 0.897 | 43% | 0.428 | S | S | * | . | trans | -99.9 | -5.6 | 176.5 | -65.9 | -176 | -1.3 | 0 | 0 | 112.9 | ||||
| 73 | D | 62.2 | Low | 78.9 | Confident | 102 Ų | 102 | 79.7 Ų | 79.7 | 55% | 0.545 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -89.4 | 140.8 | -169.5 | -72.8 | -25.5 | 0 | 0 | 0 | 112.7 | V75 | D73-V75 PolarHBondContact O-N 2.84Š|
| 74 | H | 59.6 | Low | 79.1 | Confident | 189 Ų | 189 | 78.2 Ų | 78.2 | 88% | 0.875 | 42% | 0.416 | S | S | * | . | trans | -67.5 | 127 | 165.6 | -82.1 | 26.7 | 0 | 0 | 0 | 109.7 | G76 | H74-G76 PolarHBondContact O-N 3.29Å; H74-G76 VanDerWaalsContact O-N 3.11Å | ||
| 75 | V | 59.1 | Low | 79.3 | Confident | 52 Ų | 52 | 83.7 Ų | 83.7 | 32% | 0.315 | 44% | 0.44 | S | S | . | . | trans | -69.2 | 108.7 | -172.6 | -169.7 | 0 | 0 | 0 | 0 | 110.1 | I22 D73 L78 | I22-V75 HydrophobicContact CG1-CG1 4.26Å; D73-V75 PolarHBondContact O-N 2.84Å; V75-L78 HydrophobicContact CG1-CD1 4.26Å; V75-L78 HydrophobicContact CG1-CD2 3.77Å; V75-L78 HydrophobicContact CG1-CG 3.86Å | ||
| 76 | G | 67.9 | Low | 79.5 | Confident | 55 Ų | 55 | 84.4 Ų | 84.4 | 57% | 0.567 | 44% | 0.442 | S | S | * | . | trans | -81.2 | -157.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | H74 L78 | H74-G76 PolarHBondContact O-N 3.29Å; H74-G76 VanDerWaalsContact O-N 3.11Å; G76-L78 PolarHBondContact O-N 2.89Å; G76-L78 VanDerWaalsContact O-N 3.12Å | ||
| 77 | T | 76.3 | Confident | 79.8 | Confident | 115 Ų | 115 | 78 Ų | 78 | 71% | 0.706 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -63.7 | 113.1 | 170.4 | 42.5 | 0 | 0 | 0 | 0 | 110.3 | H79 | T77-H79 PolarHBondContact O-CD2 3.49Å; T77-H79 VanDerWaalsContact O-CD2 3.27Å; T77-H79 PolarHBondContact O-N 3.03Å; T77-H79 PolarHBondContact O-NE2 3.37Å |
| 78 | L | 80.5 | Confident | 80.1 | Confident | 38 Ų | 38 | 75.5 Ų | 75.5 | 20% | 0.199 | 40% | 0.401 | C | S | . | . | trans | -67 | 130.6 | 179.4 | -71.2 | 168 | 0 | 0 | 0 | 111.3 | A21 I22 H26 I29 V75 G76 | A21-L78 HydrophobicContact CB-CD1 4.27Å; A21-L78 HydrophobicContact CB-CD2 4.06Å; I22-L78 HydrophobicContact CD1-CD1 4.18Å; I22-L78 HydrophobicContact CG1-CD1 3.64Å; H26-L78 WeakPolarHBondContact O-CD2 3.27Å; I29-L78 HydrophobicContact CD1-CB 4.12Å; I29-L78 HydrophobicContact CG1-CB 4.2Å; V75-L78 HydrophobicContact CG1-CD1 4.26Å; V75-L78 HydrophobicContact CG1-CD2 3.77Å; V75-L78 HydrophobicContact CG1-CG 3.86Å; G76-L78 PolarHBondContact O-N 2.89Å; G76-L78 VanDerWaalsContact O-N 3.12Å | ||
| 79 | H | 86.6 | Confident | 80.6 | Confident | 112 Ų | 112 | 76.5 Ų | 76.5 | 52% | 0.519 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 145.3 | 173.2 | -60.4 | -60.5 | 0 | 0 | 0 | 110.9 | N28 I29 T77 | N28-H79 CarbonylContact C-O 3.52Å; N28-H79 WeakPolarHBondContact CA-O 3.48Å; I29-H79 PolarHBondContact N-O 3.17Å; T77-H79 PolarHBondContact O-CD2 3.49Å; T77-H79 VanDerWaalsContact O-CD2 3.27Å; T77-H79 PolarHBondContact O-N 3.03Å; T77-H79 PolarHBondContact O-NE2 3.37Å |
| 80 | Y | 89.9 | Confident | 81.2 | Confident | 35 Ų | 35 | 75.8 Ų | 75.8 | 14% | 0.137 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 131.4 | 171 | -66.5 | -83.9 | 0 | 0 | 0 | 110.4 | F3 I29 L34 A84 I88 | F3-Y80 HydrophobicContact CZ-CE2 4.21Å; I29-Y80 HydrophobicContact CB-CD1 3.8Å; I29-Y80 HydrophobicContact CB-CE1 4.16Å; I29-Y80 HydrophobicContact CB-CG 4.43Å; I29-Y80 HydrophobicContact CD1-CD1 3.97Å; I29-Y80 HydrophobicContact CD1-CD2 4.39Å; I29-Y80 HydrophobicContact CD1-CE1 3.76Å; I29-Y80 HydrophobicContact CD1-CE2 4.19Å; I29-Y80 HydrophobicContact CD1-CG 4.29Å; I29-Y80 HydrophobicContact CG2-CD1 3.76Å; I29-Y80 HydrophobicContact CG2-CE1 3.78Å; L34-Y80 HydrophobicContact CD2-CE1 4.32Å; Y80-A84 HydrophobicContact CD1-CB 4.11Å; Y80-I88 HydrophobicContact CD1-CD1 4.41Å; Y80-I88 HydrophobicContact CE1-CD1 4.3Å |
| 81 | T | 89.6 | Confident | 81.8 | Confident | 36 Ų | 36 | 70.4 Ų | 70.4 | 22% | 0.221 | 37% | 0.369 | C | S | . | . | trans | -61.8 | 156 | 170.1 | 60.9 | 0 | 0 | 0 | 0 | 111 | N28 I29 G30 R83 A84 K85 | N28-T81 HydrophobicContact CB-CG2 3.74Å; I29-T81 PolarHBondContact O-N 3.19Å; I29-T81 PolarHBondContact O-OG1 2.81Å; I29-T81 VanDerWaalsContact O-OG1 3.14Å; G30-T81 WeakPolarHBondContact CA-OG1 3.22Å; T81-R83 PolarHBondContact O-N 2.9Å; T81-A84 PolarHBondContact O-N 3.3Å; T81-A84 WeakPolarHBondContact OG1-CB 3.23Å; T81-A84 PolarHBondContact OG1-N 2.93Å; T81-K85 PolarHBondContact O-N 3.24Å | ||
| 82 | P | 88.2 | Confident | 82.7 | Confident | 113 Ų | 113 | 71 Ų | 71 | 73% | 0.734 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -53 | -37.1 | 176.3 | -28.1 | 35.5 | 0 | 0 | 0 | 113.5 | K85 K86 | P82-K85 PolarHBondContact O-N 3.46Å; P82-K86 PolarHBondContact O-N 2.94Å |
| 83 | R | 89.1 | Confident | 83.8 | Confident | 108 Ų | 108 | 64.3 Ų | 64.3 | 41% | 0.408 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -68.5 | -42.7 | 176.1 | -71 | -172.4 | 170.2 | 167.1 | -3.4 | 112.9 | T31 T81 K85 K86 V87 E117 | T31-R83 HydrophobicContact CG2-CB 3.92Å; T81-R83 PolarHBondContact O-N 2.9Å; R83-K85 VanDerWaalsContact C-N 3.3Å; R83-K85 PolarHBondContact O-N 3.36Å; R83-K86 WeakPolarHBondContact O-CB 3.49Å; R83-K86 PolarHBondContact O-N 3.45Å; R83-K86 VanDerWaalsContact O-N 3.09Å; R83-V87 WeakPolarHBondContact O-CG2 3.12Å; R83-V87 PolarHBondContact O-N 3.42Å; R83-E117 IonicContact CZ-OE2 2.74Å; R83-E117 IonicContact NE-OE2 3.24Å; R83-E117 IonicContact NH2-OE2 3.57Å; R83-E117 PolarHBondContact NH2-OE2 3.48Å |
| 84 | A | 91.5 | Very high | 85.1 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.9 | -38.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I29 L34 Y80 T81 K86 V87 I88 | I29-A84 WeakPolarHBondContact O-CB 3.48Å; L34-A84 HydrophobicContact CD1-CB 3.94Å; Y80-A84 HydrophobicContact CD1-CB 4.11Å; T81-A84 PolarHBondContact O-N 3.3Å; T81-A84 WeakPolarHBondContact OG1-CB 3.23Å; T81-A84 PolarHBondContact OG1-N 2.93Å; A84-K86 VanDerWaalsContact C-N 3.32Å; A84-K86 PolarHBondContact O-N 3.08Å; A84-V87 PolarHBondContact O-N 3.17Å; A84-I88 WeakPolarHBondContact O-CG1 3.39Å; A84-I88 PolarHBondContact O-N 2.97Å |
| 85 | K | 90.6 | Very high | 86.5 | Confident | 116 Ų | 116 | 50.8 Ų | 50.8 | 50% | 0.504 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.9 | -41.1 | 171.4 | -69.3 | -179.1 | -178.5 | 176 | 0 | 111.5 | T81 P82 R83 V87 I88 E89 | T81-K85 PolarHBondContact O-N 3.24Å; P82-K85 PolarHBondContact O-N 3.46Å; R83-K85 VanDerWaalsContact C-N 3.3Å; R83-K85 PolarHBondContact O-N 3.36Å; K85-V87 PolarHBondContact O-N 3.41Å; K85-I88 PolarHBondContact O-N 3.3Å; K85-E89 PolarHBondContact O-N 3.41Å |
| 86 | K | 91.1 | Very high | 87.8 | Confident | 84 Ų | 84 | 55 Ų | 55 | 37% | 0.365 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.5 | -42.8 | 177.7 | -163.6 | 71.6 | -156.6 | 158.9 | 0 | 112.6 | P82 R83 A84 I88 E89 L90 E115 | P82-K86 PolarHBondContact O-N 2.94Å; R83-K86 WeakPolarHBondContact O-CB 3.49Å; R83-K86 PolarHBondContact O-N 3.45Å; R83-K86 VanDerWaalsContact O-N 3.09Å; A84-K86 VanDerWaalsContact C-N 3.32Å; A84-K86 PolarHBondContact O-N 3.08Å; K86-I88 VanDerWaalsContact C-N 3.29Å; K86-I88 PolarHBondContact O-N 3.02Å; K86-E89 IonicContact NZ-OE2 3.26Å; K86-E89 PolarHBondContact NZ-OE2 3.43Å; K86-E89 WeakPolarHBondContact O-CB 3.45Å; K86-E89 PolarHBondContact O-N 3.49Å; K86-L90 HydrophobicContact CG-CD1 4.24Å; K86-L90 HydrophobicContact CG-CG 4.46Å; K86-L90 WeakPolarHBondContact O-CB 3.5Å; K86-L90 VanDerWaalsContact O-CG 3.28Å; K86-L90 WeakPolarHBondContact O-CG 3.33Å; K86-L90 PolarHBondContact O-N 2.61Å; K86-E115 WeakPolarHBondContact CG-OE2 3.02Å |
| 87 | V | 93.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -55.9 | -44.2 | 173.4 | 167.5 | 0 | 0 | 0 | 0 | 111.6 | T31 L34 R83 A84 K85 L90 S91 L112 E115 | T31-V87 HydrophobicContact CG2-CG2 3.93Å; L34-V87 HydrophobicContact CD1-CB 3.98Å; L34-V87 HydrophobicContact CD1-CG1 3.74Å; R83-V87 WeakPolarHBondContact O-CG2 3.12Å; R83-V87 PolarHBondContact O-N 3.42Å; A84-V87 PolarHBondContact O-N 3.17Å; K85-V87 PolarHBondContact O-N 3.41Å; V87-L90 PolarHBondContact O-N 2.92Å; V87-S91 WeakPolarHBondContact O-CB 3.05Å; V87-S91 PolarHBondContact O-N 3.29Å; V87-L112 HydrophobicContact CB-CD2 4.4Å; V87-L112 HydrophobicContact CG1-CB 4.45Å; V87-L112 HydrophobicContact CG1-CD2 3.76Å; V87-L112 HydrophobicContact CG1-CG 3.62Å; V87-L112 HydrophobicContact CG2-CD2 3.76Å; V87-L112 HydrophobicContact CG2-CG 4.37Å; V87-E115 HydrophobicContact CG2-CB 3.74Å; V87-E115 HydrophobicContact CG2-CG 3.96Å |
| 88 | I | 91.7 | Very high | 88.9 | Confident | 8 Ų | 8 | 54.6 Ų | 54.6 | 4% | 0.041 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.5 | -42.3 | 179.1 | -61.9 | 169.6 | 0 | 0 | 0 | 110.7 | L2 L14 Y80 A84 K85 K86 L90 S91 M92 | L2-I88 HydrophobicContact CD2-CB 4.35Å; L2-I88 HydrophobicContact CD2-CG2 3.58Å; L14-I88 HydrophobicContact CD2-CD1 4.22Å; Y80-I88 HydrophobicContact CD1-CD1 4.41Å; Y80-I88 HydrophobicContact CE1-CD1 4.3Å; A84-I88 WeakPolarHBondContact O-CG1 3.39Å; A84-I88 PolarHBondContact O-N 2.97Å; K85-I88 PolarHBondContact O-N 3.3Å; K86-I88 VanDerWaalsContact C-N 3.29Å; K86-I88 PolarHBondContact O-N 3.02Å; I88-L90 PolarHBondContact O-N 3.26Å; I88-S91 PolarHBondContact O-N 3.46Å; I88-S91 PolarHBondContact O-OG 3.48Å; I88-M92 HydrophobicContact CG2-CE 3.86Å; I88-M92 PolarHBondContact O-N 3.44Å |
| 89 | E | 90.6 | Very high | 88.9 | Confident | 88 Ų | 88 | 60.7 Ų | 60.7 | 41% | 0.411 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.5 | -46.7 | 173.6 | -70.8 | 178.2 | 178.3 | 0 | 0 | 112 | K85 K86 S91 M92 D93 | K85-E89 PolarHBondContact O-N 3.41Å; K86-E89 IonicContact NZ-OE2 3.26Å; K86-E89 PolarHBondContact NZ-OE2 3.43Å; K86-E89 WeakPolarHBondContact O-CB 3.45Å; K86-E89 PolarHBondContact O-N 3.49Å; E89-S91 VanDerWaalsContact C-N 3.27Å; E89-S91 PolarHBondContact O-N 3.1Å; E89-M92 WeakPolarHBondContact O-CB 3.35Å; E89-M92 PolarHBondContact O-N 3.27Å; E89-M92 VanDerWaalsContact O-N 3.13Å; E89-D93 PolarHBondContact O-N 3.02Å |
| 90 | L | 92.4 | Very high | 88.7 | Confident | 13 Ų | 13 | 57.4 Ų | 57.4 | 7% | 0.068 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.1 | -35.1 | 178.5 | -68.4 | 173.8 | 0 | 0 | 0 | 111.6 | K86 V87 I88 M92 D93 E94 R114 E115 | K86-L90 HydrophobicContact CG-CD1 4.24Å; K86-L90 HydrophobicContact CG-CG 4.46Å; K86-L90 WeakPolarHBondContact O-CB 3.5Å; K86-L90 VanDerWaalsContact O-CG 3.28Å; K86-L90 WeakPolarHBondContact O-CG 3.33Å; K86-L90 PolarHBondContact O-N 2.61Å; V87-L90 PolarHBondContact O-N 2.92Å; I88-L90 PolarHBondContact O-N 3.26Å; L90-M92 VanDerWaalsContact C-N 3.33Å; L90-M92 PolarHBondContact O-N 3.39Å; L90-D93 PolarHBondContact O-N 3.44Å; L90-E94 WeakPolarHBondContact O-CG 3.42Å; L90-E94 PolarHBondContact O-N 2.87Å; L90-R114 HydrophobicContact CD1-CB 4.22Å; L90-R114 HydrophobicContact CD1-CG 4.19Å; L90-R114 HydrophobicContact CD2-CG 4.34Å; L90-E115 HydrophobicContact CD1-CB 4.09Å; L90-E115 VanDerWaalsContact CD1-OE2 3.31Å; L90-E115 WeakPolarHBondContact CD1-OE2 3.31Å |
| 91 | S | 92.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.2 | -38.4 | 174.7 | 77.1 | 0 | 0 | 0 | 0 | 112.5 | V87 I88 E89 E94 A95 H107 | V87-S91 WeakPolarHBondContact O-CB 3.05Å; V87-S91 PolarHBondContact O-N 3.29Å; I88-S91 PolarHBondContact O-N 3.46Å; I88-S91 PolarHBondContact O-OG 3.48Å; E89-S91 VanDerWaalsContact C-N 3.27Å; E89-S91 PolarHBondContact O-N 3.1Å; S91-E94 PolarHBondContact O-N 3.25Å; S91-A95 PolarHBondContact O-N 3.38Å; S91-H107 VanDerWaalsContact CA-O 3.31Å; S91-H107 WeakPolarHBondContact CA-O 3.18Å; S91-H107 VanDerWaalsContact CB-C 3.48Å; S91-H107 WeakPolarHBondContact CB-O 3.4Å |
| 92 | M | 89.5 | Confident | 88.1 | Confident | 34 Ų | 34 | 66.1 Ų | 66.1 | 17% | 0.167 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -69.3 | -35.9 | 175.4 | -69.1 | 179.3 | -168 | 0 | 0 | 112.5 | L2 I88 E89 L90 R96 V103 | L2-M92 HydrophobicContact CB-CE 4.05Å; L2-M92 HydrophobicContact CD2-CE 3.83Å; L2-M92 HydrophobicContact CG-CE 4.15Å; L2-M92 WeakPolarHBondContact O-CE 3.28Å; I88-M92 HydrophobicContact CG2-CE 3.86Å; I88-M92 PolarHBondContact O-N 3.44Å; E89-M92 WeakPolarHBondContact O-CB 3.35Å; E89-M92 PolarHBondContact O-N 3.27Å; E89-M92 VanDerWaalsContact O-N 3.13Å; L90-M92 VanDerWaalsContact C-N 3.33Å; L90-M92 PolarHBondContact O-N 3.39Å; M92-R96 PolarHBondContact O-N 3.3Å; M92-V103 HydrophobicContact CB-CG2 4.4Å; M92-V103 HydrophobicContact CG-CG2 3.82Å |
| 93 | D | 89.2 | Confident | 88.2 | Confident | 52 Ų | 52 | 60.9 Ų | 60.9 | 28% | 0.278 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66 | -42.5 | 174.8 | -78.7 | -5.3 | 0 | 0 | 0 | 111.2 | E89 L90 R96 K97 | E89-D93 PolarHBondContact O-N 3.02Å; L90-D93 PolarHBondContact O-N 3.44Å; D93-R96 PolarHBondContact O-N 2.96Å; D93-R96 IonicContact OD1-CZ 3.44Å; D93-R96 IonicContact OD1-NH1 3.69Å; D93-R96 IonicContact OD1-NH2 3.53Å; D93-R96 PolarHBondContact OD1-NH2 3.07Å; D93-K97 WeakPolarHBondContact O-CG 3.5Å; D93-K97 PolarHBondContact O-N 3.48Å |
| 94 | E | 88.5 | Confident | 88.2 | Confident | 6 Ų | 6 | 55.8 Ų | 55.8 | 3% | 0.028 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.2 | -37.1 | 177.2 | -66 | -62.6 | 130.7 | 0 | 0 | 111.7 | L90 S91 R96 K97 L98 L110 R114 R135 | L90-E94 WeakPolarHBondContact O-CG 3.42Å; L90-E94 PolarHBondContact O-N 2.87Å; S91-E94 PolarHBondContact O-N 3.25Å; E94-R96 PolarHBondContact O-N 3.28Å; E94-K97 PolarHBondContact O-N 3.2Å; E94-K97 IonicContact OE1-NZ 2.63Å; E94-K97 PolarHBondContact OE1-NZ 3.1Å; E94-L98 WeakPolarHBondContact O-CG 3.39Å; E94-L98 PolarHBondContact O-N 3.36Å; E94-L98 VanDerWaalsContact O-N 3.08Å; E94-L110 HydrophobicContact CB-CB 4.13Å; E94-L110 HydrophobicContact CB-CD1 4.17Å; E94-L110 HydrophobicContact CG-CB 3.98Å; E94-R114 IonicContact OE1-CZ 3.09Å; E94-R114 IonicContact OE1-NE 3.54Å; E94-R114 IonicContact OE1-NH1 3.06Å; E94-R114 PolarHBondContact OE1-NH1 3.3Å; E94-R135 IonicContact OE2-NH2 3.14Å; E94-R135 PolarHBondContact OE2-NH2 2.69Å |
| 95 | A | 89.1 | Confident | 88.2 | Confident | 2 Ų | 2 | 56 Ų | 56 | 2% | 0.017 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.9 | -45.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S91 K97 L98 H99 H100 V103 H107 | S91-A95 PolarHBondContact O-N 3.38Å; A95-K97 PolarHBondContact O-N 3.14Å; A95-L98 CarbonylContact O-C 3.47Å; A95-L98 PolarHBondContact O-N 3.23Å; A95-H99 PolarHBondContact O-N 2.84Å; A95-H100 HydrophobicContact CB-CB 4.35Å; A95-H100 PolarHBondContact O-N 2.62Å; A95-V103 HydrophobicContact CB-CG2 3.88Å; A95-H107 WeakPolarHBondContact CA-CD2 3.45Å; A95-H107 HydrophobicContact CB-CB 4.42Å; A95-H107 PolarHBondContact N-CD2 3.49Å |
| 96 | R | 85.3 | Confident | 88.2 | Confident | 141 Ų | 141 | 51.5 Ų | 51.5 | 53% | 0.532 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.3 | -39.8 | 176.5 | -85.6 | -176.1 | -79.9 | 155.8 | -3.1 | 113.1 | M92 D93 E94 L98 H99 | M92-R96 PolarHBondContact O-N 3.3Å; D93-R96 PolarHBondContact O-N 2.96Å; D93-R96 IonicContact OD1-CZ 3.44Å; D93-R96 IonicContact OD1-NH1 3.69Å; D93-R96 IonicContact OD1-NH2 3.53Å; D93-R96 PolarHBondContact OD1-NH2 3.07Å; E94-R96 PolarHBondContact O-N 3.28Å; R96-L98 VanDerWaalsContact C-N 3.25Å; R96-L98 PolarHBondContact O-N 2.96Å; R96-H99 PolarHBondContact O-N 2.87Å |
| 97 | K | 85 | Confident | 88.3 | Confident | 110 Ų | 110 | 47.6 Ų | 47.6 | 48% | 0.478 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.4 | -30.9 | 176.1 | -75.2 | 177.2 | -170.8 | 171 | 0 | 113 | D93 E94 A95 | D93-K97 WeakPolarHBondContact O-CG 3.5Å; D93-K97 PolarHBondContact O-N 3.48Å; E94-K97 PolarHBondContact O-N 3.2Å; E94-K97 IonicContact OE1-NZ 2.63Å; E94-K97 PolarHBondContact OE1-NZ 3.1Å; A95-K97 PolarHBondContact O-N 3.14Å |
| 98 | L | 83.7 | Confident | 88.2 | Confident | 51 Ų | 51 | 47.7 Ų | 47.7 | 27% | 0.267 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 9.3 | 174.3 | -63.6 | 173.4 | 0 | 0 | 0 | 112.3 | E94 A95 R96 H100 L110 L142 | E94-L98 WeakPolarHBondContact O-CG 3.39Å; E94-L98 PolarHBondContact O-N 3.36Å; E94-L98 VanDerWaalsContact O-N 3.08Å; A95-L98 CarbonylContact O-C 3.47Å; A95-L98 PolarHBondContact O-N 3.23Å; R96-L98 VanDerWaalsContact C-N 3.25Å; R96-L98 PolarHBondContact O-N 2.96Å; L98-H100 PolarHBondContact O-CD2 2.98Å; L98-H100 VanDerWaalsContact O-CD2 3.25Å; L98-H100 PolarHBondContact O-N 2.93Å; L98-L110 HydrophobicContact CD1-CD1 4.24Å; L98-L142 HydrophobicContact CD1-CD1 4.37Å; L98-L142 HydrophobicContact CD1-CD2 3.99Å |
| 99 | H | 79.8 | Confident | 88.2 | Confident | 166 Ų | 166 | 47.3 Ų | 47.3 | 77% | 0.769 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57 | 26.2 | -177 | -55.3 | -71.8 | 0 | 0 | 0 | 114 | A95 R96 | A95-H99 PolarHBondContact O-N 2.84Å; R96-H99 PolarHBondContact O-N 2.87Å |
| 100 | H | 82.8 | Confident | 88.3 | Confident | 42 Ų | 42 | 43.2 Ų | 43.2 | 19% | 0.194 | 20% | 0.201 | C | C | . | . | trans | -88.6 | 126 | 174.4 | -66 | 167.7 | 0 | 0 | 0 | 110.6 | A95 L98 F102 H107 L142 P145 | A95-H100 HydrophobicContact CB-CB 4.35Å; A95-H100 PolarHBondContact O-N 2.62Å; L98-H100 PolarHBondContact O-CD2 2.98Å; L98-H100 VanDerWaalsContact O-CD2 3.25Å; L98-H100 PolarHBondContact O-N 2.93Å; H100-F102 PolarHBondContact O-N 3.28Å; H100-H107 AromaticContact CG-NE2 3.93Å; H100-H107 AromaticContact ND1-CE1 3.3Å; H100-H107 PolarHBondContact ND1-CE1 3.07Å; H100-H107 VanDerWaalsContact ND1-CE1 3.3Å; H100-H107 AromaticContact ND1-NE2 3.09Å; H100-H107 PolarHBondContact ND1-NE2 3.43Å; H100-L142 WeakPolarHBondContact CE1-CD2 3.29Å; H100-P145 WeakPolarHBondContact NE2-CG 3.42Å | ||
| 101 | N | 80.2 | Confident | 88.2 | Confident | 124 Ų | 124 | 42.6 Ų | 42.6 | 66% | 0.663 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -73.1 | -14.2 | 174.8 | -72.4 | -33.2 | 0 | 0 | 0 | 113.1 | ||
| 102 | F | 86.9 | Confident | 88.2 | Confident | 130 Ų | 130 | 42.7 Ų | 42.7 | 57% | 0.57 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -125.6 | 151.1 | -177 | -49.1 | -82 | 0 | 0 | 0 | 111.2 | R5 T7 H100 | R5-F102 CarbonylContact O-C 3.5Å; R5-F102 WeakPolarHBondContact O-CA 3.25Å; T7-F102 HydrophobicContact CG2-CB 3.9Å; H100-F102 PolarHBondContact O-N 3.28Å |
| 103 | V | 88.9 | Confident | 88.3 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.024 | 19% | 0.192 | C | C | . | . | B | Isolated β-bridge | trans | -102.7 | 107.9 | 178.4 | -179.8 | 0 | 0 | 0 | 0 | 108.5 | R5 L6 T7 A10 M92 A95 H107 I108 | R5-V103 PolarHBondContact O-N 2.88Å; L6-V103 WeakPolarHBondContact CA-O 3.5Å; L6-V103 HydrophobicContact CD2-CB 3.92Å; L6-V103 HydrophobicContact CD2-CG1 3.87Å; T7-V103 PolarHBondContact N-O 3.41Å; A10-V103 WeakPolarHBondContact CB-O 3.34Å; M92-V103 HydrophobicContact CB-CG2 4.4Å; M92-V103 HydrophobicContact CG-CG2 3.82Å; A95-V103 HydrophobicContact CB-CG2 3.88Å; V103-H107 HydrophobicContact CG1-CB 3.79Å; V103-I108 HydrophobicContact CG1-CG1 4.3Å |
| 104 | G | 90.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -90.5 | -178.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | T7 E106 H107 I108 | T7-G104 WeakPolarHBondContact OG1-CA 3.32Å; G104-E106 VanDerWaalsContact C-N 3.25Å; G104-E106 WeakPolarHBondContact CA-OE1 3.43Å; G104-E106 PolarHBondContact O-N 2.96Å; G104-H107 PolarHBondContact N-ND1 3.17Å; G104-H107 WeakPolarHBondContact O-CB 3.47Å; G104-H107 PolarHBondContact O-N 3.27Å; G104-H107 VanDerWaalsContact O-N 3.11Å; G104-I108 PolarHBondContact O-N 2.98Å | ||
| 105 | T | 91.6 | Very high | 88.2 | Confident | 4 Ų | 4 | 45.1 Ų | 45.1 | 3% | 0.025 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -54 | -40.4 | -179.2 | 55.4 | 0 | 0 | 0 | 0 | 113 | R9 V13 L38 I45 H107 I108 L109 | R9-T105 HydrophobicContact CB-CG2 3.82Å; V13-T105 HydrophobicContact CG2-CG2 3.91Å; L38-T105 WeakPolarHBondContact CD2-O 3.45Å; I45-T105 PolarHBondContact N-OG1 3.42Å; T105-H107 VanDerWaalsContact C-N 3.33Å; T105-H107 PolarHBondContact O-N 3.41Å; T105-I108 WeakPolarHBondContact O-CB 3.39Å; T105-I108 PolarHBondContact O-N 3.09Å; T105-L109 PolarHBondContact O-N 3.44Å |
| 106 | E | 90.4 | Very high | 87.7 | Confident | 23 Ų | 23 | 50.5 Ų | 50.5 | 11% | 0.107 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.8 | -37.4 | 179.5 | 59.2 | -71.3 | 166.6 | 0 | 0 | 112.6 | I45 G104 L109 L110 V138 L142 | I45-E106 HydrophobicContact CB-CB 4.08Å; I45-E106 HydrophobicContact CD1-CG 4.43Å; I45-E106 HydrophobicContact CG2-CB 4.03Å; G104-E106 VanDerWaalsContact C-N 3.25Å; G104-E106 WeakPolarHBondContact CA-OE1 3.43Å; G104-E106 PolarHBondContact O-N 2.96Å; E106-L109 PolarHBondContact O-N 2.81Å; E106-L110 VanDerWaalsContact O-CG 3.27Å; E106-L110 WeakPolarHBondContact O-CG 3.35Å; E106-L110 PolarHBondContact O-N 3.01Å; E106-V138 HydrophobicContact CB-CG1 3.72Å; E106-L142 HydrophobicContact CB-CD1 3.62Å; E106-L142 HydrophobicContact CB-CG 4.2Å; E106-L142 HydrophobicContact CG-CD1 3.46Å; E106-L142 VanDerWaalsContact CG-CD1 3.46Å; E106-L142 HydrophobicContact CG-CD2 3.57Å; E106-L142 HydrophobicContact CG-CG 3.59Å |
| 107 | H | 92 | Very high | 87.5 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -72.8 | -35.4 | 177.6 | -54.8 | 102.8 | 0 | 0 | 0 | 110.8 | S91 A95 H100 V103 G104 T105 L109 L110 G111 | S91-H107 VanDerWaalsContact CA-O 3.31Å; S91-H107 WeakPolarHBondContact CA-O 3.18Å; S91-H107 VanDerWaalsContact CB-C 3.48Å; S91-H107 WeakPolarHBondContact CB-O 3.4Å; A95-H107 WeakPolarHBondContact CA-CD2 3.45Å; A95-H107 HydrophobicContact CB-CB 4.42Å; A95-H107 PolarHBondContact N-CD2 3.49Å; H100-H107 AromaticContact CG-NE2 3.93Å; H100-H107 AromaticContact ND1-CE1 3.3Å; H100-H107 PolarHBondContact ND1-CE1 3.07Å; H100-H107 VanDerWaalsContact ND1-CE1 3.3Å; H100-H107 AromaticContact ND1-NE2 3.09Å; H100-H107 PolarHBondContact ND1-NE2 3.43Å; V103-H107 HydrophobicContact CG1-CB 3.79Å; G104-H107 PolarHBondContact N-ND1 3.17Å; G104-H107 WeakPolarHBondContact O-CB 3.47Å; G104-H107 PolarHBondContact O-N 3.27Å; G104-H107 VanDerWaalsContact O-N 3.11Å; T105-H107 VanDerWaalsContact C-N 3.33Å; T105-H107 PolarHBondContact O-N 3.41Å; H107-L109 VanDerWaalsContact C-N 3.35Å; H107-L110 PolarHBondContact O-N 3.5Å; H107-G111 PolarHBondContact O-N 2.81Å |
| 108 | I | 92.2 | Very high | 87.4 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.6 | -43.4 | 173.4 | -60.2 | 176.3 | 0 | 0 | 0 | 109.9 | A10 V13 L38 V103 G104 T105 G111 L112 | A10-I108 HydrophobicContact CB-CD1 3.86Å; V13-I108 HydrophobicContact CB-CD1 4.33Å; V13-I108 HydrophobicContact CG1-CD1 4.02Å; L38-I108 HydrophobicContact CD1-CG2 4.03Å; L38-I108 HydrophobicContact CD2-CB 4.06Å; L38-I108 HydrophobicContact CD2-CG2 4.06Å; L38-I108 HydrophobicContact CG-CG2 4.2Å; V103-I108 HydrophobicContact CG1-CG1 4.3Å; G104-I108 PolarHBondContact O-N 2.98Å; T105-I108 WeakPolarHBondContact O-CB 3.39Å; T105-I108 PolarHBondContact O-N 3.09Å; I108-G111 WeakPolarHBondContact O-CA 3.5Å; I108-G111 PolarHBondContact O-N 2.96Å; I108-L112 PolarHBondContact O-N 2.9Å |
| 109 | L | 92.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.5 | -43.9 | 174.3 | -179.4 | 58.6 | 0 | 0 | 0 | 111.8 | L38 A46 V49 L50 T105 E106 H107 G111 L112 I113 F124 V138 | L38-L109 HydrophobicContact CD1-CB 4.01Å; L38-L109 HydrophobicContact CD1-CD1 4.26Å; A46-L109 HydrophobicContact CB-CB 3.71Å; A46-L109 HydrophobicContact CB-CD2 3.85Å; A46-L109 HydrophobicContact CB-CG 4.35Å; V49-L109 HydrophobicContact CB-CD2 4.29Å; V49-L109 HydrophobicContact CG1-CD2 4.33Å; L50-L109 HydrophobicContact CD1-CD1 4.03Å; L50-L109 HydrophobicContact CD1-CD2 4.48Å; L50-L109 HydrophobicContact CD2-CD1 4.17Å; L50-L109 HydrophobicContact CG-CD1 4.26Å; L50-L109 HydrophobicContact CG-CD2 4.14Å; T105-L109 PolarHBondContact O-N 3.44Å; E106-L109 PolarHBondContact O-N 2.81Å; H107-L109 VanDerWaalsContact C-N 3.35Å; L109-G111 VanDerWaalsContact C-N 3.26Å; L109-G111 PolarHBondContact O-N 3.36Å; L109-L112 PolarHBondContact O-N 3.37Å; L109-I113 HydrophobicContact CD1-CD1 4.05Å; L109-I113 HydrophobicContact CD1-CG1 4.13Å; L109-I113 HydrophobicContact CD2-CD1 4.46Å; L109-I113 HydrophobicContact CG-CD1 3.82Å; L109-I113 HydrophobicContact CG-CG1 4.35Å; L109-I113 WeakPolarHBondContact O-CB 3.18Å; L109-I113 VanDerWaalsContact O-CG1 3.24Å; L109-I113 WeakPolarHBondContact O-CG1 3.44Å; L109-I113 PolarHBondContact O-N 3.2Å; L109-F124 HydrophobicContact CD1-CZ 3.94Å; L109-V138 HydrophobicContact CD2-CG2 3.68Å; L109-V138 HydrophobicContact CG-CG2 4.28Å |
| 110 | L | 91.2 | Very high | 88 | Confident | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.016 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.6 | -36.7 | 173.9 | -71.2 | 172.6 | 0 | 0 | 0 | 112 | E94 L98 E106 H107 R114 R135 V138 | E94-L110 HydrophobicContact CB-CB 4.13Å; E94-L110 HydrophobicContact CB-CD1 4.17Å; E94-L110 HydrophobicContact CG-CB 3.98Å; L98-L110 HydrophobicContact CD1-CD1 4.24Å; E106-L110 VanDerWaalsContact O-CG 3.27Å; E106-L110 WeakPolarHBondContact O-CG 3.35Å; E106-L110 PolarHBondContact O-N 3.01Å; H107-L110 PolarHBondContact O-N 3.5Å; L110-R114 VanDerWaalsContact O-CB 3.22Å; L110-R114 WeakPolarHBondContact O-CB 3.46Å; L110-R114 PolarHBondContact O-N 2.88Å; L110-R135 HydrophobicContact CD2-CB 4.28Å; L110-R135 HydrophobicContact CD2-CG 3.71Å; L110-V138 HydrophobicContact CD1-CG1 3.99Å; L110-V138 HydrophobicContact CD2-CB 4.02Å; L110-V138 HydrophobicContact CD2-CG1 4.02Å; L110-V138 HydrophobicContact CD2-CG2 4.44Å; L110-V138 HydrophobicContact CG-CB 4.33Å; L110-V138 HydrophobicContact CG-CG1 3.78Å |
| 111 | G | 91.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.5 | -45.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | H107 I108 L109 R114 E115 | H107-G111 PolarHBondContact O-N 2.81Å; I108-G111 WeakPolarHBondContact O-CA 3.5Å; I108-G111 PolarHBondContact O-N 2.96Å; L109-G111 VanDerWaalsContact C-N 3.26Å; L109-G111 PolarHBondContact O-N 3.36Å; G111-R114 PolarHBondContact O-N 3.18Å; G111-E115 WeakPolarHBondContact O-CB 3.3Å; G111-E115 PolarHBondContact O-N 3.17Å |
| 112 | L | 92.1 | Very high | 88.6 | Confident | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.2 | -42.1 | 176 | -78.5 | 166.1 | 0 | 0 | 0 | 112.5 | L34 L35 L38 V87 I108 L109 R114 E115 A120 F124 | L34-L112 HydrophobicContact CB-CD1 4.35Å; L34-L112 HydrophobicContact CB-CD2 4.3Å; L35-L112 HydrophobicContact CB-CD1 4.25Å; L35-L112 HydrophobicContact CD1-CD1 4.46Å; L38-L112 HydrophobicContact CD1-CD1 3.41Å; L38-L112 VanDerWaalsContact CD1-CD1 3.41Å; V87-L112 HydrophobicContact CB-CD2 4.4Å; V87-L112 HydrophobicContact CG1-CB 4.45Å; V87-L112 HydrophobicContact CG1-CD2 3.76Å; V87-L112 HydrophobicContact CG1-CG 3.62Å; V87-L112 HydrophobicContact CG2-CD2 3.76Å; V87-L112 HydrophobicContact CG2-CG 4.37Å; I108-L112 PolarHBondContact O-N 2.9Å; L109-L112 PolarHBondContact O-N 3.37Å; L112-R114 VanDerWaalsContact C-N 3.27Å; L112-R114 PolarHBondContact O-N 3.48Å; L112-E115 PolarHBondContact O-N 3.17Å; L112-A120 HydrophobicContact CD2-CB 3.78Å; L112-F124 HydrophobicContact CB-CE2 4.14Å |
| 113 | I | 90.2 | Very high | 88.7 | Confident | 7 Ų | 7 | 29.8 Ų | 29.8 | 4% | 0.036 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.7 | -35 | 177.4 | -72.2 | 173.8 | 0 | 0 | 0 | 110.8 | L109 N116 F124 I131 A134 R135 | L109-I113 HydrophobicContact CD1-CD1 4.05Å; L109-I113 HydrophobicContact CD1-CG1 4.13Å; L109-I113 HydrophobicContact CD2-CD1 4.46Å; L109-I113 HydrophobicContact CG-CD1 3.82Å; L109-I113 HydrophobicContact CG-CG1 4.35Å; L109-I113 WeakPolarHBondContact O-CB 3.18Å; L109-I113 VanDerWaalsContact O-CG1 3.24Å; L109-I113 WeakPolarHBondContact O-CG1 3.44Å; L109-I113 PolarHBondContact O-N 3.2Å; I113-N116 PolarHBondContact O-OD1 3.36Å; I113-F124 HydrophobicContact CG1-CE2 4.31Å; I113-I131 HydrophobicContact CG2-CB 4.36Å; I113-I131 HydrophobicContact CG2-CG2 3.35Å; I113-A134 HydrophobicContact CD1-CB 3.89Å; I113-R135 HydrophobicContact CG2-CB 4.47Å |
| 114 | R | 88.6 | Confident | 88.7 | Confident | 103 Ų | 103 | 29.9 Ų | 29.9 | 39% | 0.389 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -79.3 | -29.4 | -179.9 | -171.4 | 169.8 | 174.8 | -155.1 | -13 | 112.5 | L90 E94 L110 G111 L112 N116 | L90-R114 HydrophobicContact CD1-CB 4.22Å; L90-R114 HydrophobicContact CD1-CG 4.19Å; L90-R114 HydrophobicContact CD2-CG 4.34Å; E94-R114 IonicContact OE1-CZ 3.09Å; E94-R114 IonicContact OE1-NE 3.54Å; E94-R114 IonicContact OE1-NH1 3.06Å; E94-R114 PolarHBondContact OE1-NH1 3.3Å; L110-R114 VanDerWaalsContact O-CB 3.22Å; L110-R114 WeakPolarHBondContact O-CB 3.46Å; L110-R114 PolarHBondContact O-N 2.88Å; G111-R114 PolarHBondContact O-N 3.18Å; L112-R114 VanDerWaalsContact C-N 3.27Å; L112-R114 PolarHBondContact O-N 3.48Å; R114-N116 VanDerWaalsContact C-N 3.34Å; R114-N116 PolarHBondContact O-N 2.95Å |
| 115 | E | 86.9 | Confident | 88.5 | Confident | 32 Ų | 32 | 32.9 Ų | 32.9 | 15% | 0.15 | 17% | 0.166 | C | C | . | . | trans | -75.3 | 86.4 | 169.6 | -168.7 | 69.3 | -167.9 | 0 | 0 | 109.3 | K86 V87 L90 G111 L112 E117 | K86-E115 WeakPolarHBondContact CG-OE2 3.02Å; V87-E115 HydrophobicContact CG2-CB 3.74Å; V87-E115 HydrophobicContact CG2-CG 3.96Å; L90-E115 HydrophobicContact CD1-CB 4.09Å; L90-E115 VanDerWaalsContact CD1-OE2 3.31Å; L90-E115 WeakPolarHBondContact CD1-OE2 3.31Å; G111-E115 WeakPolarHBondContact O-CB 3.3Å; G111-E115 PolarHBondContact O-N 3.17Å; L112-E115 PolarHBondContact O-N 3.17Å; E115-E117 WeakPolarHBondContact CG-O 3.44Å; E115-E117 PolarHBondContact O-N 3.27Å | ||
| 116 | N | 78.9 | Confident | 88.3 | Confident | 116 Ų | 116 | 36.9 Ų | 36.9 | 62% | 0.62 | 19% | 0.187 | S | C | * | . | trans | -67.1 | -1.7 | -179.4 | -75.3 | -15.2 | 0 | 0 | 0 | 114 | I113 R114 A121 | I113-N116 PolarHBondContact O-OD1 3.36Å; R114-N116 VanDerWaalsContact C-N 3.34Å; R114-N116 PolarHBondContact O-N 2.95Å; N116-A121 WeakPolarHBondContact O-CB 3.16Å | ||
| 117 | E | 82.3 | Confident | 88 | Confident | 114 Ų | 114 | 37.7 Ų | 37.7 | 53% | 0.533 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -123.3 | 136.3 | -179.3 | -64.9 | -168.4 | 177 | 0 | 0 | 111.8 | R83 E115 | R83-E117 IonicContact CZ-OE2 2.74Å; R83-E117 IonicContact NE-OE2 3.24Å; R83-E117 IonicContact NH2-OE2 3.57Å; R83-E117 PolarHBondContact NH2-OE2 3.48Å; E115-E117 WeakPolarHBondContact CG-O 3.44Å; E115-E117 PolarHBondContact O-N 3.27Å |
| 118 | G | 82.4 | Confident | 87.5 | Confident | 8 Ų | 8 | 44.9 Ų | 44.9 | 8% | 0.082 | 23% | 0.23 | C | C | . | . | S | Bend | trans | 137.2 | 179.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | R122 | G118-R122 WeakPolarHBondContact O-CG 3.49Å; G118-R122 PolarHBondContact O-N 3.41Å |
| 119 | V | 87.3 | Confident | 87.1 | Confident | 29 Ų | 29 | 45.4 Ų | 45.4 | 18% | 0.176 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -72.8 | -38.6 | 178 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | T31 E32 L67 I68 A121 R122 V123 | T31-V119 PolarHBondContact OG1-N 3.28Å; T31-V119 VanDerWaalsContact OG1-N 3.14Å; E32-V119 HydrophobicContact CB-CB 3.98Å; E32-V119 HydrophobicContact CB-CG1 3.87Å; E32-V119 HydrophobicContact CG-CB 4.41Å; E32-V119 HydrophobicContact CG-CG1 4.43Å; E32-V119 WeakPolarHBondContact OE2-CB 3.48Å; L67-V119 HydrophobicContact CB-CG1 4.08Å; L67-V119 HydrophobicContact CD1-CG1 3.97Å; I68-V119 HydrophobicContact CD1-CB 4.16Å; I68-V119 HydrophobicContact CD1-CG1 3.88Å; I68-V119 HydrophobicContact CD1-CG2 3.75Å; I68-V119 HydrophobicContact CG1-CG1 3.94Å; I68-V119 HydrophobicContact CG1-CG2 4.07Å; V119-A121 VanDerWaalsContact C-N 3.32Å; V119-A121 PolarHBondContact O-N 3.49Å; V119-R122 WeakPolarHBondContact O-CB 3.02Å; V119-R122 PolarHBondContact O-N 3.03Å; V119-V123 HydrophobicContact CG1-CG2 4.3Å; V119-V123 WeakPolarHBondContact O-CG2 3.49Å; V119-V123 PolarHBondContact O-N 3.34Å |
| 120 | A | 88.6 | Confident | 86.6 | Confident | 2 Ų | 2 | 49 Ų | 49 | 2% | 0.017 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.2 | -40.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T31 L35 L112 R122 V123 F124 | T31-A120 PolarHBondContact OG1-N 2.96Å; L35-A120 HydrophobicContact CB-CB 4.16Å; L35-A120 HydrophobicContact CD2-CB 4.1Å; L112-A120 HydrophobicContact CD2-CB 3.78Å; A120-R122 VanDerWaalsContact C-N 3.33Å; A120-R122 PolarHBondContact O-N 3.23Å; A120-V123 PolarHBondContact O-N 3.44Å; A120-F124 VanDerWaalsContact O-CD2 3.29Å; A120-F124 WeakPolarHBondContact O-CD2 3.42Å; A120-F124 VanDerWaalsContact O-CG 3.31Å; A120-F124 WeakPolarHBondContact O-CG 3.36Å; A120-F124 PolarHBondContact O-N 3.11Å |
| 121 | A | 87.8 | Confident | 86.2 | Confident | 20 Ų | 20 | 52.4 Ų | 52.4 | 17% | 0.165 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.4 | -37.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N116 V119 F124 A125 | N116-A121 WeakPolarHBondContact O-CB 3.16Å; V119-A121 VanDerWaalsContact C-N 3.32Å; V119-A121 PolarHBondContact O-N 3.49Å; A121-F124 PolarHBondContact O-N 3.28Å; A121-A125 WeakPolarHBondContact O-CB 3.49Å; A121-A125 PolarHBondContact O-N 3.33Å |
| 122 | R | 87.9 | Confident | 85.9 | Confident | 156 Ų | 156 | 57.7 Ų | 57.7 | 59% | 0.589 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -67.7 | -40.7 | 173.7 | -70.2 | 178.1 | -177.7 | -175.1 | 0.3 | 112.1 | L67 G118 V119 A120 F124 A125 N126 | L67-R122 HydrophobicContact CD1-CB 3.91Å; G118-R122 WeakPolarHBondContact O-CG 3.49Å; G118-R122 PolarHBondContact O-N 3.41Å; V119-R122 WeakPolarHBondContact O-CB 3.02Å; V119-R122 PolarHBondContact O-N 3.03Å; A120-R122 VanDerWaalsContact C-N 3.33Å; A120-R122 PolarHBondContact O-N 3.23Å; R122-F124 VanDerWaalsContact C-N 3.33Å; R122-F124 PolarHBondContact O-N 3.22Å; R122-A125 PolarHBondContact O-N 3.47Å; R122-N126 WeakPolarHBondContact O-CB 3.48Å; R122-N126 VanDerWaalsContact O-CG 3.31Å; R122-N126 PolarHBondContact O-N 3.09Å |
| 123 | V | 88.1 | Confident | 85.5 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.6 | -44.9 | 174.3 | 174.1 | 0 | 0 | 0 | 0 | 110.3 | L35 V60 E63 V64 L67 V119 A120 A125 N126 L127 | L35-V123 HydrophobicContact CD2-CB 4.08Å; L35-V123 HydrophobicContact CD2-CG1 3.83Å; V60-V123 HydrophobicContact CG1-CG1 4.27Å; E63-V123 HydrophobicContact CB-CG1 4.24Å; E63-V123 HydrophobicContact CB-CG2 4.47Å; E63-V123 HydrophobicContact CG-CG1 4.33Å; E63-V123 HydrophobicContact CG-CG2 4.32Å; V64-V123 HydrophobicContact CG2-CG2 3.73Å; L67-V123 HydrophobicContact CD1-CG2 3.65Å; V119-V123 HydrophobicContact CG1-CG2 4.3Å; V119-V123 WeakPolarHBondContact O-CG2 3.49Å; V119-V123 PolarHBondContact O-N 3.34Å; A120-V123 PolarHBondContact O-N 3.44Å; V123-A125 VanDerWaalsContact C-N 3.33Å; V123-A125 PolarHBondContact O-N 3.49Å; V123-N126 PolarHBondContact O-N 3.21Å; V123-L127 HydrophobicContact CG1-CD1 3.72Å; V123-L127 HydrophobicContact CG1-CG 4.42Å; V123-L127 WeakPolarHBondContact O-CB 3.5Å; V123-L127 VanDerWaalsContact O-CG 3.32Å; V123-L127 WeakPolarHBondContact O-CG 3.47Å; V123-L127 PolarHBondContact O-N 3.03Å |
| 124 | F | 89.2 | Confident | 85.2 | Confident | 5 Ų | 5 | 63.7 Ų | 63.7 | 2% | 0.022 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.2 | -38.4 | 175 | -67.8 | -34.8 | 0 | 0 | 0 | 113 | L35 L50 L109 L112 I113 A120 A121 R122 D128 L129 | L35-F124 HydrophobicContact CD1-CE1 3.57Å; L35-F124 HydrophobicContact CD1-CZ 3.53Å; L35-F124 HydrophobicContact CD2-CD1 4.4Å; L35-F124 HydrophobicContact CD2-CE1 3.9Å; L35-F124 HydrophobicContact CD2-CZ 4.15Å; L35-F124 HydrophobicContact CG-CE1 4.4Å; L35-F124 HydrophobicContact CG-CZ 4.45Å; L50-F124 HydrophobicContact CD2-CE1 3.81Å; L50-F124 HydrophobicContact CD2-CZ 4.46Å; L109-F124 HydrophobicContact CD1-CZ 3.94Å; L112-F124 HydrophobicContact CB-CE2 4.14Å; I113-F124 HydrophobicContact CG1-CE2 4.31Å; A120-F124 VanDerWaalsContact O-CD2 3.29Å; A120-F124 WeakPolarHBondContact O-CD2 3.42Å; A120-F124 VanDerWaalsContact O-CG 3.31Å; A120-F124 WeakPolarHBondContact O-CG 3.36Å; A120-F124 PolarHBondContact O-N 3.11Å; A121-F124 PolarHBondContact O-N 3.28Å; R122-F124 VanDerWaalsContact C-N 3.33Å; R122-F124 PolarHBondContact O-N 3.22Å; F124-D128 PolarHBondContact O-N 3.42Å; F124-L129 HydrophobicContact CB-CB 4.11Å; F124-L129 HydrophobicContact CB-CD2 4.15Å; F124-L129 HydrophobicContact CD1-CB 4.43Å; F124-L129 HydrophobicContact CD1-CD2 3.4Å; F124-L129 VanDerWaalsContact CD1-CD2 3.4Å; F124-L129 HydrophobicContact CD2-CD2 4.39Å; F124-L129 HydrophobicContact CE1-CD2 3.77Å; F124-L129 HydrophobicContact CG-CD2 3.75Å; F124-L129 HydrophobicContact CZ-CD2 4.4Å; F124-L129 WeakPolarHBondContact O-CB 3.28Å; F124-L129 PolarHBondContact O-N 2.94Å |
| 125 | A | 86 | Confident | 85 | Confident | 64 Ų | 64 | 64.4 Ų | 64.4 | 53% | 0.529 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67.3 | -41.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | A121 R122 V123 L127 D128 | A121-A125 WeakPolarHBondContact O-CB 3.49Å; A121-A125 PolarHBondContact O-N 3.33Å; R122-A125 PolarHBondContact O-N 3.47Å; V123-A125 VanDerWaalsContact C-N 3.33Å; V123-A125 PolarHBondContact O-N 3.49Å; A125-L127 VanDerWaalsContact C-N 3.32Å; A125-L127 PolarHBondContact O-N 3.08Å; A125-D128 PolarHBondContact O-N 3.33Å |
| 126 | N | 87 | Confident | 84.9 | Confident | 87 Ų | 87 | 65.8 Ų | 65.8 | 47% | 0.465 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -72 | -26.2 | -180 | -69.5 | -4.2 | 0 | 0 | 0 | 112.8 | E63 R122 V123 D128 | E63-N126 HydrophobicContact CG-CB 4.04Å; E63-N126 WeakPolarHBondContact OE1-CB 3.43Å; E63-N126 PolarHBondContact OE1-ND2 3.41Å; R122-N126 WeakPolarHBondContact O-CB 3.48Å; R122-N126 VanDerWaalsContact O-CG 3.31Å; R122-N126 PolarHBondContact O-N 3.09Å; V123-N126 PolarHBondContact O-N 3.21Å; N126-D128 VanDerWaalsContact C-N 3.33Å |
| 127 | L | 85.8 | Confident | 85.3 | Confident | 40 Ų | 40 | 63.8 Ų | 63.8 | 21% | 0.209 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 12.6 | 175.6 | -63.2 | 175 | 0 | 0 | 0 | 113.4 | I55 K59 V60 V123 A125 L129 | I55-L127 HydrophobicContact CD1-CB 4.15Å; I55-L127 HydrophobicContact CD1-CD1 4.32Å; I55-L127 HydrophobicContact CG1-CB 4.25Å; I55-L127 HydrophobicContact CG1-CD1 4.21Å; I55-L127 HydrophobicContact CG2-CD1 3.86Å; K59-L127 HydrophobicContact CB-CD2 4.29Å; V60-L127 HydrophobicContact CG2-CD1 4.15Å; V123-L127 HydrophobicContact CG1-CD1 3.72Å; V123-L127 HydrophobicContact CG1-CG 4.42Å; V123-L127 WeakPolarHBondContact O-CB 3.5Å; V123-L127 VanDerWaalsContact O-CG 3.32Å; V123-L127 WeakPolarHBondContact O-CG 3.47Å; V123-L127 PolarHBondContact O-N 3.03Å; A125-L127 VanDerWaalsContact C-N 3.32Å; A125-L127 PolarHBondContact O-N 3.08Å; L127-L129 PolarHBondContact O-N 2.86Å |
| 128 | D | 81.6 | Confident | 85.4 | Confident | 152 Ų | 152 | 58.3 Ų | 58.3 | 81% | 0.813 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 33.1 | -179.5 | -75.9 | -36.4 | 0 | 0 | 0 | 114.4 | F124 A125 N126 N130 | F124-D128 PolarHBondContact O-N 3.42Å; A125-D128 PolarHBondContact O-N 3.33Å; N126-D128 VanDerWaalsContact C-N 3.33Å; D128-N130 PolarHBondContact O-N 3.27Å |
| 129 | L | 82 | Confident | 85.4 | Confident | 14 Ų | 14 | 60.9 Ų | 60.9 | 7% | 0.073 | 32% | 0.323 | C | S | . | . | trans | -71 | 114.6 | 177.4 | -173.4 | 66.1 | 0 | 0 | 0 | 110.3 | L50 F53 I55 F124 L127 I131 A134 | L50-L129 HydrophobicContact CD2-CD2 4.07Å; F53-L129 HydrophobicContact CB-CD1 3.63Å; F53-L129 HydrophobicContact CD1-CD1 3.82Å; F53-L129 HydrophobicContact CD2-CD1 3.68Å; F53-L129 HydrophobicContact CE1-CD1 4.44Å; F53-L129 HydrophobicContact CE2-CD1 4.35Å; F53-L129 HydrophobicContact CG-CD1 3.42Å; F53-L129 VanDerWaalsContact CG-CD1 3.42Å; I55-L129 HydrophobicContact CD1-CB 3.96Å; I55-L129 HydrophobicContact CD1-CD1 3.8Å; I55-L129 HydrophobicContact CD1-CD2 4.21Å; I55-L129 HydrophobicContact CD1-CG 4.19Å; F124-L129 HydrophobicContact CB-CB 4.11Å; F124-L129 HydrophobicContact CB-CD2 4.15Å; F124-L129 HydrophobicContact CD1-CB 4.43Å; F124-L129 HydrophobicContact CD1-CD2 3.4Å; F124-L129 VanDerWaalsContact CD1-CD2 3.4Å; F124-L129 HydrophobicContact CD2-CD2 4.39Å; F124-L129 HydrophobicContact CE1-CD2 3.77Å; F124-L129 HydrophobicContact CG-CD2 3.75Å; F124-L129 HydrophobicContact CZ-CD2 4.4Å; F124-L129 WeakPolarHBondContact O-CB 3.28Å; F124-L129 PolarHBondContact O-N 2.94Å; L127-L129 PolarHBondContact O-N 2.86Å; L129-I131 PolarHBondContact O-N 2.74Å; L129-A134 HydrophobicContact CD1-CB 3.95Å; L129-A134 HydrophobicContact CD2-CB 4.13Å; L129-A134 HydrophobicContact CG-CB 4.09Å | ||
| 130 | N | 82.5 | Confident | 85.2 | Confident | 74 Ų | 74 | 67.8 Ų | 67.8 | 40% | 0.396 | 35% | 0.351 | S | S | . | . | trans | -73.7 | 97.8 | 170.4 | -172.1 | -51.8 | 0 | 0 | 0 | 110.2 | D128 T132 K133 A134 | D128-N130 PolarHBondContact O-N 3.27Å; N130-T132 PolarHBondContact O-N 3.4Å; N130-T132 VanDerWaalsContact O-N 3.14Å; N130-T132 WeakPolarHBondContact OD1-CB 3.4Å; N130-T132 PolarHBondContact OD1-N 2.92Å; N130-K133 HydrophobicContact CB-CB 4.13Å; N130-K133 HydrophobicContact CB-CD 4.23Å; N130-K133 HydrophobicContact CB-CG 4.23Å; N130-K133 PolarHBondContact O-N 3Å; N130-K133 PolarHBondContact OD1-N 2.78Å; N130-K133 VanDerWaalsContact OD1-N 3.08Å; N130-A134 PolarHBondContact O-N 3.16Å | ||
| 131 | I | 83.7 | Confident | 84.7 | Confident | 75 Ų | 75 | 70.3 Ų | 70.3 | 39% | 0.385 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -45.1 | -44.1 | 179.3 | -61.5 | 178.3 | 0 | 0 | 0 | 112 | I113 L129 R135 | I113-I131 HydrophobicContact CG2-CB 4.36Å; I113-I131 HydrophobicContact CG2-CG2 3.35Å; L129-I131 PolarHBondContact O-N 2.74Å; I131-R135 WeakPolarHBondContact O-CB 3.5Å; I131-R135 PolarHBondContact O-N 3.22Å |
| 132 | T | 84.1 | Confident | 83.8 | Confident | 112 Ų | 112 | 70.9 Ų | 70.9 | 69% | 0.687 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -67.3 | -44.3 | -179 | -46.4 | 0 | 0 | 0 | 0 | 112 | N130 A136 | N130-T132 PolarHBondContact O-N 3.4Å; N130-T132 VanDerWaalsContact O-N 3.14Å; N130-T132 WeakPolarHBondContact OD1-CB 3.4Å; N130-T132 PolarHBondContact OD1-N 2.92Å; T132-A136 WeakPolarHBondContact O-CB 3.43Å; T132-A136 PolarHBondContact O-N 3.42Å; T132-A136 VanDerWaalsContact O-N 3.08Å |
| 133 | K | 85.1 | Confident | 82.4 | Confident | 134 Ų | 134 | 64.8 Ų | 64.8 | 58% | 0.583 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -68.3 | -41.4 | 176.7 | -69.2 | -175 | 179.4 | 179.9 | 0 | 111.5 | F53 N130 A136 Q137 | F53-K133 HydrophobicContact CE1-CB 3.94Å; F53-K133 HydrophobicContact CZ-CB 3.89Å; N130-K133 HydrophobicContact CB-CB 4.13Å; N130-K133 HydrophobicContact CB-CD 4.23Å; N130-K133 HydrophobicContact CB-CG 4.23Å; N130-K133 PolarHBondContact O-N 3Å; N130-K133 PolarHBondContact OD1-N 2.78Å; N130-K133 VanDerWaalsContact OD1-N 3.08Å; K133-A136 PolarHBondContact O-N 3.07Å; K133-Q137 WeakPolarHBondContact O-CB 3.12Å; K133-Q137 PolarHBondContact O-N 2.91Å |
| 134 | A | 83.7 | Confident | 80.5 | Confident | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.008 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -58.6 | -50 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | F53 I113 L129 N130 A136 Q137 V138 | F53-A134 HydrophobicContact CE2-CB 3.98Å; F53-A134 HydrophobicContact CZ-CB 4.23Å; I113-A134 HydrophobicContact CD1-CB 3.89Å; L129-A134 HydrophobicContact CD1-CB 3.95Å; L129-A134 HydrophobicContact CD2-CB 4.13Å; L129-A134 HydrophobicContact CG-CB 4.09Å; N130-A134 PolarHBondContact O-N 3.16Å; A134-A136 PolarHBondContact O-N 3.18Å; A134-Q137 PolarHBondContact O-N 3.02Å; A134-Q137 VanDerWaalsContact O-N 3.13Å; A134-V138 WeakPolarHBondContact O-CG2 3.31Å; A134-V138 PolarHBondContact O-N 2.77Å |
| 135 | R | 84.7 | Confident | 78.3 | Confident | 118 Ų | 118 | 73.4 Ų | 73.4 | 45% | 0.445 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -57 | -47.9 | 174.9 | -179.6 | 169.2 | -173.7 | -154.4 | 1.7 | 112.4 | E94 L110 I113 I131 Q137 V138 V139 | E94-R135 IonicContact OE2-NH2 3.14Å; E94-R135 PolarHBondContact OE2-NH2 2.69Å; L110-R135 HydrophobicContact CD2-CB 4.28Å; L110-R135 HydrophobicContact CD2-CG 3.71Å; I113-R135 HydrophobicContact CG2-CB 4.47Å; I131-R135 WeakPolarHBondContact O-CB 3.5Å; I131-R135 PolarHBondContact O-N 3.22Å; R135-Q137 PolarHBondContact O-N 2.79Å; R135-V138 PolarHBondContact O-N 3.28Å; R135-V139 HydrophobicContact CG-CG2 4.5Å; R135-V139 WeakPolarHBondContact O-CG2 3.27Å; R135-V139 PolarHBondContact O-N 3.14Å |
| 136 | A | 85 | Confident | 76.1 | Confident | 61 Ų | 61 | 77.4 Ų | 77.4 | 50% | 0.504 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.2 | -36.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T132 K133 A134 K140 | T132-A136 WeakPolarHBondContact O-CB 3.43Å; T132-A136 PolarHBondContact O-N 3.42Å; T132-A136 VanDerWaalsContact O-N 3.08Å; K133-A136 PolarHBondContact O-N 3.07Å; A134-A136 PolarHBondContact O-N 3.18Å; A136-K140 VanDerWaalsContact O-CB 3.24Å; A136-K140 WeakPolarHBondContact O-CB 3.36Å; A136-K140 PolarHBondContact O-N 3.18Å |
| 137 | Q | 85.4 | Confident | 73.8 | Confident | 73 Ų | 73 | 78.7 Ų | 78.7 | 34% | 0.341 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -75.2 | -36.9 | 178.9 | -166.3 | 163 | -10.3 | 0 | 0 | 112.9 | V49 S52 F53 K133 A134 R135 K140 A141 | V49-Q137 HydrophobicContact CG1-CB 4.31Å; V49-Q137 HydrophobicContact CG1-CG 4.38Å; S52-Q137 VanDerWaalsContact CB-NE2 3.35Å; S52-Q137 VanDerWaalsContact OG-CD 3.32Å; S52-Q137 PolarHBondContact OG-NE2 2.85Å; F53-Q137 HydrophobicContact CE2-CB 4.3Å; K133-Q137 WeakPolarHBondContact O-CB 3.12Å; K133-Q137 PolarHBondContact O-N 2.91Å; A134-Q137 PolarHBondContact O-N 3.02Å; A134-Q137 VanDerWaalsContact O-N 3.13Å; R135-Q137 PolarHBondContact O-N 2.79Å; Q137-K140 PolarHBondContact O-N 3.49Å; Q137-A141 WeakPolarHBondContact O-CB 3.33Å; Q137-A141 PolarHBondContact O-N 3.47Å |
| 138 | V | 84.8 | Confident | 71.5 | Confident | 0 Ų | 0 | 81.4 Ų | 81.4 | 0% | 0 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -59.2 | -52.9 | 169.6 | 179.1 | 0 | 0 | 0 | 0 | 109.7 | V49 E106 L109 L110 A134 R135 K140 A141 L142 | V49-V138 HydrophobicContact CB-CG2 4.2Å; V49-V138 HydrophobicContact CG1-CG2 3.77Å; V49-V138 HydrophobicContact CG2-CG2 4.04Å; E106-V138 HydrophobicContact CB-CG1 3.72Å; L109-V138 HydrophobicContact CD2-CG2 3.68Å; L109-V138 HydrophobicContact CG-CG2 4.28Å; L110-V138 HydrophobicContact CD1-CG1 3.99Å; L110-V138 HydrophobicContact CD2-CB 4.02Å; L110-V138 HydrophobicContact CD2-CG1 4.02Å; L110-V138 HydrophobicContact CD2-CG2 4.44Å; L110-V138 HydrophobicContact CG-CB 4.33Å; L110-V138 HydrophobicContact CG-CG1 3.78Å; A134-V138 WeakPolarHBondContact O-CG2 3.31Å; A134-V138 PolarHBondContact O-N 2.77Å; R135-V138 PolarHBondContact O-N 3.28Å; V138-K140 VanDerWaalsContact C-N 3.27Å; V138-K140 PolarHBondContact O-N 3.09Å; V138-A141 PolarHBondContact O-N 3.43Å; V138-L142 HydrophobicContact CG1-CD1 3.51Å; V138-L142 WeakPolarHBondContact O-CD1 3.41Å; V138-L142 PolarHBondContact O-N 3.28Å |
| 139 | V | 82.5 | Confident | 69.5 | Low | 61 Ų | 61 | 82 Ų | 82 | 37% | 0.37 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.2 | -39.3 | 179.5 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | R135 G143 | R135-V139 HydrophobicContact CG-CG2 4.5Å; R135-V139 WeakPolarHBondContact O-CG2 3.27Å; R135-V139 PolarHBondContact O-N 3.14Å; V139-G143 PolarHBondContact O-N 2.87Å |
| 140 | K | 82.6 | Confident | 67.4 | Low | 175 Ų | 175 | 87.5 Ų | 87.5 | 76% | 0.761 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -67.4 | -37.4 | 175 | -172.4 | 177.2 | 179.5 | -177.4 | 0 | 112.7 | A136 Q137 V138 G143 | A136-K140 VanDerWaalsContact O-CB 3.24Å; A136-K140 WeakPolarHBondContact O-CB 3.36Å; A136-K140 PolarHBondContact O-N 3.18Å; Q137-K140 PolarHBondContact O-N 3.49Å; V138-K140 VanDerWaalsContact C-N 3.27Å; V138-K140 PolarHBondContact O-N 3.09Å; K140-G143 PolarHBondContact O-N 3Å |
| 141 | A | 78.8 | Confident | 65 | Low | 55 Ų | 55 | 91.7 Ų | 91.7 | 46% | 0.455 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -74.3 | -30.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I45 V49 Q137 V138 G143 | I45-A141 HydrophobicContact CG2-CB 3.72Å; V49-A141 HydrophobicContact CG2-CB 4.19Å; Q137-A141 WeakPolarHBondContact O-CB 3.33Å; Q137-A141 PolarHBondContact O-N 3.47Å; V138-A141 PolarHBondContact O-N 3.43Å; A141-G143 PolarHBondContact O-N 3.45Å |
| 142 | L | 69.5 | Low | 62.8 | Low | 31 Ų | 31 | 92.6 Ų | 92.6 | 16% | 0.162 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -59.6 | -34.4 | 168.2 | -87.5 | 108.5 | 0 | 0 | 0 | 111.3 | L98 H100 E106 V138 | L98-L142 HydrophobicContact CD1-CD1 4.37Å; L98-L142 HydrophobicContact CD1-CD2 3.99Å; H100-L142 WeakPolarHBondContact CE1-CD2 3.29Å; E106-L142 HydrophobicContact CB-CD1 3.62Å; E106-L142 HydrophobicContact CB-CG 4.2Å; E106-L142 HydrophobicContact CG-CD1 3.46Å; E106-L142 VanDerWaalsContact CG-CD1 3.46Å; E106-L142 HydrophobicContact CG-CD2 3.57Å; E106-L142 HydrophobicContact CG-CG 3.59Å; V138-L142 HydrophobicContact CG1-CD1 3.51Å; V138-L142 WeakPolarHBondContact O-CD1 3.41Å; V138-L142 PolarHBondContact O-N 3.28Å |
| 143 | G | 57.7 | Low | 60.5 | Low | 28 Ų | 28 | 95.8 Ų | 95.8 | 29% | 0.289 | 52% | 0.518 | S | S | . | . | trans | 60.4 | 160.3 | -166.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | V139 K140 A141 P145 | V139-G143 PolarHBondContact O-N 2.87Å; K140-G143 PolarHBondContact O-N 3Å; A141-G143 PolarHBondContact O-N 3.45Å; G143-P145 WeakPolarHBondContact O-CD 3.21Å | ||
| 144 | N | 49.1 | Very low | 58.1 | Low | 97 Ų | 97 | 93.5 Ų | 93.5 | 52% | 0.519 | 52% | 0.524 | S | S | . | . | trans | -68.3 | 120.9 | 159.8 | -89.5 | 2.4 | 0 | 0 | 0 | 106.2 | E146 M147 | N144-E146 HydrophobicContact CB-CB 4.46Å; N144-E146 PolarHBondContact O-N 2.95Å; N144-M147 HydrophobicContact CB-CB 4.03Å; N144-M147 HydrophobicContact CB-CG 4.05Å; N144-M147 PolarHBondContact O-N 2.89Å | ||
| 145 | P | 41.8 | Very low | 55.8 | Low | 89 Ų | 89 | 97.8 Ų | 97.8 | 58% | 0.578 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | -17.2 | 166.7 | -13.9 | 25.7 | 0 | 0 | 0 | 111.5 | H100 G143 M147 | H100-P145 WeakPolarHBondContact NE2-CG 3.42Å; G143-P145 WeakPolarHBondContact O-CD 3.21Å; P145-M147 VanDerWaalsContact C-N 3.35Å |
| 146 | E | 40.7 | Very low | 53.9 | Low | 148 Ų | 148 | 100.8 Ų | 100.8 | 69% | 0.692 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -4.8 | 171.6 | -64.3 | -152.4 | 143.3 | 0 | 0 | 115.6 | N144 K150 | N144-E146 HydrophobicContact CB-CB 4.46Å; N144-E146 PolarHBondContact O-N 2.95Å; E146-K150 VanDerWaalsContact O-CD 3.32Å; E146-K150 WeakPolarHBondContact O-CD 3.33Å; E146-K150 WeakPolarHBondContact O-CE 3.32Å; E146-K150 PolarHBondContact O-NZ 3.25Å |
| 147 | M | 39.2 | Very low | 51.8 | Low | 115 Ų | 115 | 102.3 Ų | 102.3 | 57% | 0.567 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | -11.2 | 177.5 | -78.3 | -144.1 | -76 | 0 | 0 | 114.5 | N144 P145 N149 K150 | N144-M147 HydrophobicContact CB-CB 4.03Å; N144-M147 HydrophobicContact CB-CG 4.05Å; N144-M147 PolarHBondContact O-N 2.89Å; P145-M147 VanDerWaalsContact C-N 3.35Å; M147-N149 PolarHBondContact O-N 2.93Å; M147-K150 PolarHBondContact O-N 3.21Å |
| 148 | S | 35.9 | Very low | 50.3 | Low | 97 Ų | 97 | 106 Ų | 106 | 68% | 0.678 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | 5 | -172.6 | -58.7 | 0 | 0 | 0 | 0 | 115.7 | ||
| 149 | N | 39.8 | Very low | 49.3 | Very low | 164 Ų | 164 | 111 Ų | 111 | 88% | 0.877 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.2 | 11.1 | 160.8 | -97.3 | -6.4 | 0 | 0 | 0 | 113.5 | M147 | M147-N149 PolarHBondContact O-N 2.93Š|
| 150 | K | 38.2 | Very low | 48.9 | Very low | 130 Ų | 130 | 108.1 Ų | 108.1 | 57% | 0.565 | 61% | 0.609 | S | S | * | * | trans | -91.4 | 1.1 | -175.9 | -78.6 | -176 | 176.4 | 163.2 | 0 | 115.7 | E146 M147 | E146-K150 VanDerWaalsContact O-CD 3.32Å; E146-K150 WeakPolarHBondContact O-CD 3.33Å; E146-K150 WeakPolarHBondContact O-CE 3.32Å; E146-K150 PolarHBondContact O-NZ 3.25Å; M147-K150 PolarHBondContact O-N 3.21Å | ||
| 151 | N | 33.4 | Very low | 48.8 | Very low | 162 Ų | 162 | 104 Ų | 104 | 87% | 0.866 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | 19.2 | -173.3 | -79.2 | -13.5 | 0 | 0 | 0 | 116.3 | ||
| 152 | A | 36.8 | Very low | 48.9 | Very low | 94 Ų | 94 | 103.1 Ų | 103.1 | 78% | 0.777 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.8 | 5.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 153 | Q | 36 | Very low | 49.5 | Very low | 178 Ų | 178 | 101.7 Ų | 101.7 | 83% | 0.832 | 58% | 0.581 | S | S | * | * | trans | -161.2 | 45.6 | 174.2 | -113 | 169.3 | 20.9 | 0 | 0 | 113.5 | S155 | Q153-S155 PolarHBondContact O-N 2.98Š| ||
| 154 | A | 34.6 | Very low | 50.8 | Low | 87 Ų | 87 | 103.8 Ų | 103.8 | 72% | 0.719 | 59% | 0.586 | S | S | * | * | trans | -78.1 | 35.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 155 | S | 35.9 | Very low | 52.4 | Low | 91 Ų | 91 | 103.4 Ų | 103.4 | 64% | 0.636 | 59% | 0.591 | S | S | * | * | trans | -111.8 | 79.6 | 179.7 | 60.5 | 0 | 0 | 0 | 0 | 110.2 | Q153 | Q153-S155 PolarHBondContact O-N 2.98Š| ||
| 156 | K | 44.5 | Very low | 54.4 | Low | 180 Ų | 180 | 100 Ų | 100 | 78% | 0.783 | 57% | 0.568 | S | S | * | * | S | Bend | trans | 177.9 | -0.3 | 154.8 | -99.8 | 168.6 | -172.2 | -171.6 | 0 | 115.4 | N158 D236 | K156-N158 PolarHBondContact O-N 3.48Å; K156-D236 IonicContact NZ-OD1 3.23Å |
| 157 | S | 41.7 | Very low | 56.6 | Low | 93 Ų | 93 | 93.5 Ų | 93.5 | 65% | 0.65 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | 101.8 | 179.9 | 58.9 | 0 | 0 | 0 | 0 | 112 | ||
| 158 | N | 53.9 | Low | 58.9 | Low | 151 Ų | 151 | 96.3 Ų | 96.3 | 81% | 0.807 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -175.5 | 2.7 | 153.5 | -98.6 | -5.7 | 0 | 0 | 0 | 116.2 | K156 | K156-N158 PolarHBondContact O-N 3.48Š|
| 159 | N | 63.6 | Low | 61.5 | Low | 106 Ų | 106 | 92.6 Ų | 92.6 | 57% | 0.567 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -88.4 | -13.5 | -172.5 | -73.2 | 4.8 | 0 | 0 | 0 | 115.6 | ||
| 160 | T | 74.4 | Confident | 64 | Low | 0 Ų | 0 | 85.3 Ų | 85.3 | 0% | 0 | 48% | 0.477 | C | S | . | . | trans | -144 | 60.3 | -170.5 | 56.5 | 0 | 0 | 0 | 0 | 114.5 | T162 L163 D164 R238 E267 A271 | T160-T162 PolarHBondContact O-N 3.34Å; T160-L163 PolarHBondContact O-N 2.99Å; T160-D164 WeakPolarHBondContact O-CB 3.5Å; T160-D164 PolarHBondContact O-N 3.43Å; T160-D164 PolarHBondContact OG1-OD1 3.29Å; T160-D164 PolarHBondContact OG1-OD2 2.94Å; T160-R238 PolarHBondContact OG1-NH1 2.78Å; T160-E267 WeakPolarHBondContact CA-OE2 3.22Å; T160-E267 HydrophobicContact CG2-CB 4.22Å; T160-A271 HydrophobicContact CG2-CB 3.63Å | ||
| 161 | P | 79.5 | Confident | 66.4 | Low | 89 Ų | 89 | 79.5 Ų | 79.5 | 58% | 0.578 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -65.8 | -36 | -171.9 | 26.1 | -34.1 | 0 | 0 | 0 | 114.7 | E267 | P161-E267 WeakPolarHBondContact CD-OE1 3.29Å; P161-E267 WeakPolarHBondContact CG-OE1 3.37Å |
| 162 | T | 80.6 | Confident | 69.1 | Low | 36 Ų | 36 | 74.9 Ų | 74.9 | 22% | 0.221 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -73.2 | -44.7 | 178.8 | -49.3 | 0 | 0 | 0 | 0 | 110.1 | T160 S165 L166 K263 V264 E267 | T160-T162 PolarHBondContact O-N 3.34Å; T162-S165 PolarHBondContact O-N 3.08Å; T162-S165 PolarHBondContact O-OG 2.82Å; T162-L166 HydrophobicContact CG2-CD1 3.81Å; T162-L166 WeakPolarHBondContact O-CG 3.43Å; T162-L166 PolarHBondContact O-N 2.8Å; T162-K263 HydrophobicContact CG2-CB 4.47Å; T162-V264 HydrophobicContact CG2-CG2 4.07Å; T162-E267 WeakPolarHBondContact CA-OE2 3.29Å; T162-E267 VanDerWaalsContact CB-CD 3.47Å; T162-E267 WeakPolarHBondContact CB-OE1 3.02Å; T162-E267 WeakPolarHBondContact CB-OE2 3.48Å; T162-E267 VanDerWaalsContact N-CD 3.32Å; T162-E267 PolarHBondContact N-OE1 3.06Å; T162-E267 PolarHBondContact N-OE2 3.42Å; T162-E267 PolarHBondContact OG1-OE1 3.31Å |
| 163 | L | 83.6 | Confident | 71.6 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.9 | -41.1 | -179.9 | -179.7 | 63.6 | 0 | 0 | 0 | 111.9 | T160 S165 L166 A167 M240 V264 E267 I268 V274 L276 | T160-L163 PolarHBondContact O-N 2.99Å; L163-S165 PolarHBondContact O-N 3.23Å; L163-L166 PolarHBondContact O-N 2.78Å; L163-L166 VanDerWaalsContact O-N 3.14Å; L163-A167 HydrophobicContact CD1-CB 3.56Å; L163-A167 HydrophobicContact CG-CB 4.19Å; L163-A167 WeakPolarHBondContact O-CA 3.43Å; L163-A167 VanDerWaalsContact O-CB 3.29Å; L163-A167 WeakPolarHBondContact O-CB 3.46Å; L163-A167 PolarHBondContact O-N 2.96Å; L163-M240 HydrophobicContact CD1-CE 4.49Å; L163-M240 HydrophobicContact CD2-CE 3.93Å; L163-M240 HydrophobicContact CD2-SD 3.28Å; L163-M240 WeakPolarHBondContact CD2-SD 3.29Å; L163-M240 HydrophobicContact CG-CE 3.62Å; L163-M240 HydrophobicContact CG-SD 3.71Å; L163-V264 HydrophobicContact CD1-CG1 3.79Å; L163-E267 PolarHBondContact N-OE2 2.95Å; L163-I268 HydrophobicContact CD2-CD1 4.44Å; L163-I268 HydrophobicContact CD2-CG1 3.84Å; L163-V274 HydrophobicContact CD2-CG1 3.94Å; L163-V274 HydrophobicContact CD2-CG2 4.47Å; L163-L276 HydrophobicContact CD1-CD1 4.18Å |
| 164 | D | 84.4 | Confident | 74.1 | Confident | 72 Ų | 72 | 65.1 Ų | 65.1 | 39% | 0.385 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.4 | -22.9 | 177.1 | -67.5 | -21.9 | 0 | 0 | 0 | 112.5 | T160 R238 M240 | T160-D164 WeakPolarHBondContact O-CB 3.5Å; T160-D164 PolarHBondContact O-N 3.43Å; T160-D164 PolarHBondContact OG1-OD1 3.29Å; T160-D164 PolarHBondContact OG1-OD2 2.94Å; D164-R238 IonicContact OD1-CZ 3.82Å; D164-R238 IonicContact OD1-NH1 3.64Å; D164-R238 IonicContact OD1-NH2 2.78Å; D164-R238 PolarHBondContact OD1-NH2 3.42Å; D164-M240 VanDerWaalsContact OD1-CE 3.22Å; D164-M240 WeakPolarHBondContact OD1-CE 3.22Å |
| 165 | S | 82.6 | Confident | 76.6 | Confident | 90 Ų | 90 | 67.9 Ų | 67.9 | 63% | 0.629 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -84.9 | -25.9 | 176.1 | 76.2 | 0 | 0 | 0 | 0 | 114.2 | T162 L163 | T162-S165 PolarHBondContact O-N 3.08Å; T162-S165 PolarHBondContact O-OG 2.82Å; L163-S165 PolarHBondContact O-N 3.23Å |
| 166 | L | 83.4 | Confident | 79 | Confident | 17 Ų | 17 | 68.9 Ų | 68.9 | 9% | 0.089 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -105.4 | -20.2 | -174.8 | -63.2 | 174.3 | 0 | 0 | 0 | 113 | T162 L163 L242 T246 R260 V264 | T162-L166 HydrophobicContact CG2-CD1 3.81Å; T162-L166 WeakPolarHBondContact O-CG 3.43Å; T162-L166 PolarHBondContact O-N 2.8Å; L163-L166 PolarHBondContact O-N 2.78Å; L163-L166 VanDerWaalsContact O-N 3.14Å; L166-L242 HydrophobicContact CB-CD1 4.39Å; L166-T246 PolarHBondContact O-OG1 3.02Å; L166-R260 HydrophobicContact CD1-CG 3.69Å; L166-V264 HydrophobicContact CD1-CG2 3.66Å |
| 167 | A | 86.1 | Confident | 80.9 | Confident | 11 Ų | 11 | 62.9 Ų | 62.9 | 9% | 0.091 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 150.7 | -176 | 0 | 0 | 0 | 0 | 0 | 111.2 | L163 M240 S241 L242 | L163-A167 HydrophobicContact CD1-CB 3.56Å; L163-A167 HydrophobicContact CG-CB 4.19Å; L163-A167 WeakPolarHBondContact O-CA 3.43Å; L163-A167 VanDerWaalsContact O-CB 3.29Å; L163-A167 WeakPolarHBondContact O-CB 3.46Å; L163-A167 PolarHBondContact O-N 2.96Å; A167-M240 HydrophobicContact CB-CB 4.27Å; A167-M240 HydrophobicContact CB-CE 4.21Å; A167-S241 CarbonylContact C-O 3.44Å; A167-S241 WeakPolarHBondContact CA-O 3.46Å; A167-S241 WeakPolarHBondContact CB-O 3.46Å; A167-L242 HydrophobicContact CB-CD1 4.41Å |
| 168 | R | 87.7 | Confident | 82.8 | Confident | 174 Ų | 174 | 62.3 Ų | 62.3 | 66% | 0.657 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 125 | 171.2 | -65.4 | -176.8 | -175.5 | 174.1 | 3.9 | 109.2 | L170 I173 S241 | R168-L170 PolarHBondContact O-N 2.98Å; R168-I173 HydrophobicContact CB-CD1 4.42Å; R168-S241 PolarHBondContact N-O 3.45Å; R168-S241 PolarHBondContact O-N 2.94Å |
| 169 | D | 91.3 | Very high | 84.3 | Confident | 19 Ų | 19 | 55.9 Ų | 55.9 | 10% | 0.102 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 100.1 | 176.4 | -168.2 | -33.8 | 0 | 0 | 0 | 110.1 | T171 V172 I173 R238 M240 | D169-T171 PolarHBondContact O-N 3.07Å; D169-T171 WeakPolarHBondContact OD1-CA 3.44Å; D169-T171 WeakPolarHBondContact OD1-CB 3.39Å; D169-T171 PolarHBondContact OD1-N 3.5Å; D169-V172 HydrophobicContact CB-CB 4.16Å; D169-V172 HydrophobicContact CB-CG2 3.93Å; D169-V172 PolarHBondContact O-N 3.36Å; D169-V172 PolarHBondContact OD1-N 3.01Å; D169-V172 VanDerWaalsContact OD1-N 3.11Å; D169-I173 WeakPolarHBondContact O-CG1 3.5Å; D169-I173 PolarHBondContact O-N 3.47Å; D169-R238 IonicContact OD2-CZ 3.48Å; D169-R238 VanDerWaalsContact OD2-CZ 3.25Å; D169-R238 IonicContact OD2-NE 2.82Å; D169-R238 PolarHBondContact OD2-NE 2.75Å; D169-R238 IonicContact OD2-NH2 3.23Å; D169-R238 PolarHBondContact OD2-NH2 3.38Å; D169-M240 HydrophobicContact CB-CE 4.4Å |
| 170 | L | 91.1 | Very high | 85.3 | Confident | 11 Ų | 11 | 53.9 Ų | 53.9 | 6% | 0.058 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65 | -26.7 | 179.2 | -61 | -177.5 | 0 | 0 | 0 | 111.6 | R168 I173 A174 A218 E219 A222 V239 | R168-L170 PolarHBondContact O-N 2.98Å; L170-I173 HydrophobicContact CD2-CD1 4.36Å; L170-A174 WeakPolarHBondContact O-CB 3.25Å; L170-A174 PolarHBondContact O-N 3.37Å; L170-A218 HydrophobicContact CD1-CB 4.36Å; L170-E219 HydrophobicContact CD1-CG 4.3Å; L170-E219 HydrophobicContact CD2-CG 4.47Å; L170-A222 HydrophobicContact CB-CB 3.85Å; L170-V239 HydrophobicContact CB-CB 4.34Å; L170-V239 HydrophobicContact CB-CG1 4.39Å; L170-V239 HydrophobicContact CD1-CG1 3.99Å; L170-V239 PolarHBondContact N-O 3.46Å |
| 171 | T | 90.4 | Very high | 85.7 | Confident | 8 Ų | 8 | 56.6 Ų | 56.6 | 5% | 0.049 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70.8 | -33.2 | 177.5 | -52.1 | 0 | 0 | 0 | 0 | 111.7 | D169 K175 V226 V239 | D169-T171 PolarHBondContact O-N 3.07Å; D169-T171 WeakPolarHBondContact OD1-CA 3.44Å; D169-T171 WeakPolarHBondContact OD1-CB 3.39Å; D169-T171 PolarHBondContact OD1-N 3.5Å; T171-K175 VanDerWaalsContact O-CG 3.31Å; T171-K175 WeakPolarHBondContact O-CG 3.37Å; T171-K175 PolarHBondContact O-N 3.11Å; T171-K175 VanDerWaalsContact O-N 3.15Å; T171-V226 HydrophobicContact CG2-CG2 3.73Å; T171-V239 PolarHBondContact OG1-N 3.49Å |
| 172 | V | 89.4 | Confident | 86 | Confident | 66 Ų | 66 | 53.9 Ų | 53.9 | 40% | 0.4 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -70.7 | -47.5 | 173.2 | 175.3 | 0 | 0 | 0 | 0 | 110.5 | D169 A174 K175 D176 | D169-V172 HydrophobicContact CB-CB 4.16Å; D169-V172 HydrophobicContact CB-CG2 3.93Å; D169-V172 PolarHBondContact O-N 3.36Å; D169-V172 PolarHBondContact OD1-N 3.01Å; D169-V172 VanDerWaalsContact OD1-N 3.11Å; V172-A174 PolarHBondContact O-N 3.23Å; V172-K175 WeakPolarHBondContact O-CB 3.27Å; V172-K175 PolarHBondContact O-N 3.02Å; V172-D176 PolarHBondContact O-N 2.96Å |
| 173 | I | 88.6 | Confident | 86.3 | Confident | 50 Ų | 50 | 54.7 Ų | 54.7 | 26% | 0.256 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.9 | -37.5 | 178.8 | -57.8 | 169.1 | 0 | 0 | 0 | 110.6 | R168 D169 L170 D176 G177 T178 L179 | R168-I173 HydrophobicContact CB-CD1 4.42Å; D169-I173 WeakPolarHBondContact O-CG1 3.5Å; D169-I173 PolarHBondContact O-N 3.47Å; L170-I173 HydrophobicContact CD2-CD1 4.36Å; I173-D176 PolarHBondContact O-N 3.04Å; I173-G177 PolarHBondContact O-N 2.97Å; I173-T178 WeakPolarHBondContact CG2-OG1 3.15Å; I173-T178 PolarHBondContact O-N 3.43Å; I173-T178 VanDerWaalsContact O-N 3.16Å; I173-T178 PolarHBondContact O-OG1 3.03Å; I173-L179 HydrophobicContact CB-CD2 4.04Å; I173-L179 HydrophobicContact CB-CG 4.1Å; I173-L179 HydrophobicContact CG2-CD2 3.42Å; I173-L179 VanDerWaalsContact CG2-CD2 3.42Å; I173-L179 HydrophobicContact CG2-CG 3.64Å |
| 174 | A | 88.3 | Confident | 86.2 | Confident | 17 Ų | 17 | 56.8 Ų | 56.8 | 14% | 0.14 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L170 V172 D176 G177 L179 A222 Q223 V226 | L170-A174 WeakPolarHBondContact O-CB 3.25Å; L170-A174 PolarHBondContact O-N 3.37Å; V172-A174 PolarHBondContact O-N 3.23Å; A174-D176 VanDerWaalsContact C-N 3.3Å; A174-D176 PolarHBondContact O-N 3.07Å; A174-G177 PolarHBondContact O-N 3.3Å; A174-G177 VanDerWaalsContact O-N 3.11Å; A174-L179 HydrophobicContact CB-CD1 3.56Å; A174-L179 HydrophobicContact CB-CG 4.38Å; A174-A222 HydrophobicContact CB-CB 4.43Å; A174-Q223 HydrophobicContact CB-CG 4.35Å; A174-V226 HydrophobicContact CB-CG2 3.97Å |
| 175 | K | 88.1 | Confident | 86.5 | Confident | 144 Ų | 144 | 54 Ų | 54 | 63% | 0.626 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -64.9 | -34.9 | 177.6 | -76.9 | 174.7 | -178.8 | -179.3 | 0 | 112.6 | T171 V172 G177 V226 | T171-K175 VanDerWaalsContact O-CG 3.31Å; T171-K175 WeakPolarHBondContact O-CG 3.37Å; T171-K175 PolarHBondContact O-N 3.11Å; T171-K175 VanDerWaalsContact O-N 3.15Å; V172-K175 WeakPolarHBondContact O-CB 3.27Å; V172-K175 PolarHBondContact O-N 3.02Å; K175-G177 PolarHBondContact O-N 3.23Å; K175-V226 HydrophobicContact CG-CG1 3.84Å; K175-V226 HydrophobicContact CG-CG2 3.81Å |
| 176 | D | 86.7 | Confident | 86.8 | Confident | 113 Ų | 113 | 55.2 Ų | 55.2 | 60% | 0.604 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -6.3 | 176.7 | -65.2 | -19.7 | 0 | 0 | 0 | 112.2 | V172 I173 A174 T178 | V172-D176 PolarHBondContact O-N 2.96Å; I173-D176 PolarHBondContact O-N 3.04Å; A174-D176 VanDerWaalsContact C-N 3.3Å; A174-D176 PolarHBondContact O-N 3.07Å; D176-T178 HydrophobicContact CB-CG2 4.28Å; D176-T178 PolarHBondContact O-N 3.19Å |
| 177 | G | 83.5 | Confident | 87.2 | Confident | 54 Ų | 54 | 63 Ų | 63 | 56% | 0.557 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.7 | 17.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | I173 A174 K175 R357 | I173-G177 PolarHBondContact O-N 2.97Å; A174-G177 PolarHBondContact O-N 3.3Å; A174-G177 VanDerWaalsContact O-N 3.11Å; K175-G177 PolarHBondContact O-N 3.23Å; G177-R357 PolarHBondContact O-NH2 3.31Å |
| 178 | T | 82.2 | Confident | 87.5 | Confident | 80 Ų | 80 | 64 Ų | 64 | 49% | 0.491 | 35% | 0.346 | S | S | . | . | trans | -93.2 | -13.6 | -175.1 | 49.7 | 0 | 0 | 0 | 0 | 113.4 | I173 D176 R357 | I173-T178 WeakPolarHBondContact CG2-OG1 3.15Å; I173-T178 PolarHBondContact O-N 3.43Å; I173-T178 VanDerWaalsContact O-N 3.16Å; I173-T178 PolarHBondContact O-OG1 3.03Å; D176-T178 HydrophobicContact CB-CG2 4.28Å; D176-T178 PolarHBondContact O-N 3.19Å; T178-R357 PolarHBondContact O-NH1 2.83Å; T178-R357 PolarHBondContact O-NH2 3.02Å | ||
| 179 | L | 84.3 | Confident | 87.8 | Confident | 17 Ų | 17 | 56.6 Ų | 56.6 | 9% | 0.089 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -70.6 | 144.5 | 173.4 | -71.6 | -177 | 0 | 0 | 0 | 112.6 | I173 A174 E219 A222 Q223 R357 | I173-L179 HydrophobicContact CB-CD2 4.04Å; I173-L179 HydrophobicContact CB-CG 4.1Å; I173-L179 HydrophobicContact CG2-CD2 3.42Å; I173-L179 VanDerWaalsContact CG2-CD2 3.42Å; I173-L179 HydrophobicContact CG2-CG 3.64Å; A174-L179 HydrophobicContact CB-CD1 3.56Å; A174-L179 HydrophobicContact CB-CG 4.38Å; L179-E219 HydrophobicContact CD1-CB 4.16Å; L179-E219 HydrophobicContact CD1-CG 4.39Å; L179-E219 HydrophobicContact CD2-CG 3.98Å; L179-A222 HydrophobicContact CD1-CB 4.47Å; L179-Q223 HydrophobicContact CD1-CG 4.24Å; L179-R357 VanDerWaalsContact C-NH2 3.32Å; L179-R357 VanDerWaalsContact O-CZ 3.28Å; L179-R357 PolarHBondContact O-NH1 3.41Å; L179-R357 PolarHBondContact O-NH2 2.97Å |
| 180 | D | 84.1 | Confident | 87.8 | Confident | 64 Ų | 64 | 59.1 Ų | 59.1 | 34% | 0.342 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 146 | 175.1 | -74.3 | -39.5 | 0 | 0 | 0 | 111.2 | V182 Q223 L354 R357 | D180-V182 PolarHBondContact O-N 3.26Å; D180-Q223 PolarHBondContact O-NE2 2.85Å; D180-L354 HydrophobicContact CB-CD2 3.79Å; D180-R357 VanDerWaalsContact N-NH1 3.15Å; D180-R357 WeakPolarHBondContact OD1-CD 3.34Å; D180-R357 IonicContact OD1-CZ 2.71Å; D180-R357 VanDerWaalsContact OD1-CZ 3.26Å; D180-R357 IonicContact OD1-NE 3.39Å; D180-R357 PolarHBondContact OD1-NE 3.38Å; D180-R357 IonicContact OD1-NH1 2.66Å; D180-R357 PolarHBondContact OD1-NH1 3.43Å |
| 181 | P | 82.8 | Confident | 88 | Confident | 56 Ų | 56 | 62.9 Ų | 62.9 | 36% | 0.364 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 129.7 | 174.3 | 27.7 | -33.1 | 0 | 0 | 0 | 110 | ||
| 182 | V | 86.4 | Confident | 88.2 | Confident | 32 Ų | 32 | 62.5 Ų | 62.5 | 19% | 0.194 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -91.2 | 122.1 | 178 | -175.8 | 0 | 0 | 0 | 0 | 109.4 | D180 R185 I189 A216 E219 | D180-V182 PolarHBondContact O-N 3.26Å; V182-R185 HydrophobicContact CG1-CB 4.16Å; V182-I189 HydrophobicContact CG1-CD1 4.07Å; V182-A216 VanDerWaalsContact CG2-O 3.32Å; V182-A216 WeakPolarHBondContact CG2-O 3.37Å; V182-E219 HydrophobicContact CG2-CB 4.4Å |
| 183 | I | 86.4 | Confident | 88.3 | Confident | 53 Ų | 53 | 60.4 Ų | 60.4 | 27% | 0.272 | 33% | 0.333 | S | S | . | . | trans | -122.7 | 132.1 | -173.1 | -61.5 | 170.6 | 0 | 0 | 0 | 109.7 | R185 A349 I350 | I183-R185 PolarHBondContact O-N 3.03Å; I183-A349 WeakPolarHBondContact CD1-O 3.23Å; I183-A349 HydrophobicContact CG2-CB 4.04Å; I183-I350 HydrophobicContact CB-CG1 4.03Å; I183-I350 HydrophobicContact CG2-CG1 4.3Å | ||
| 184 | G | 83.1 | Confident | 88.5 | Confident | 44 Ų | 44 | 62.5 Ų | 62.5 | 45% | 0.454 | 34% | 0.341 | S | S | . | . | S | Bend | trans | 75.9 | 15.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 185 | R | 88.8 | Confident | 88.7 | Confident | 15 Ų | 15 | 61.7 Ų | 61.7 | 6% | 0.057 | 33% | 0.334 | C | S | . | . | trans | -115.2 | 21 | -178.4 | -68.1 | -64.8 | -167.8 | -179 | -2.4 | 114.4 | V182 I183 K187 E188 I189 V212 I217 D340 | V182-R185 HydrophobicContact CG1-CB 4.16Å; I183-R185 PolarHBondContact O-N 3.03Å; R185-K187 VanDerWaalsContact C-N 3.28Å; R185-K187 PolarHBondContact O-N 2.99Å; R185-E188 IonicContact CZ-OE1 2.75Å; R185-E188 IonicContact NH1-OE1 3.82Å; R185-E188 PolarHBondContact NH1-OE1 3.46Å; R185-E188 PolarHBondContact O-N 3.3Å; R185-I189 HydrophobicContact CB-CD1 4.26Å; R185-I189 VanDerWaalsContact O-CG1 3.27Å; R185-I189 WeakPolarHBondContact O-CG1 3.32Å; R185-I189 PolarHBondContact O-N 2.62Å; R185-V212 PolarHBondContact NH2-O 3.18Å; R185-I217 HydrophobicContact CB-CG1 4.39Å; R185-I217 HydrophobicContact CG-CG1 4.44Å; R185-D340 PolarHBondContact NH1-O 3.38Å; R185-D340 PolarHBondContact NH2-O 3.13Å | ||
| 186 | D | 89.5 | Confident | 88.8 | Confident | 114 Ų | 114 | 55 Ų | 55 | 61% | 0.61 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -61.4 | -35 | -173.7 | -56.9 | -35.5 | 0 | 0 | 0 | 113 | T190 | D186-T190 VanDerWaalsContact O-CB 3.23Å; D186-T190 WeakPolarHBondContact O-CB 3.38Å; D186-T190 PolarHBondContact O-N 3.19Å; D186-T190 PolarHBondContact O-OG1 3.06Å |
| 187 | K | 92.1 | Very high | 88.9 | Confident | 182 Ų | 182 | 52 Ų | 52 | 79% | 0.791 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -66.2 | -46.1 | -179.9 | -69.8 | 176.4 | -177.6 | 169.9 | 0 | 111.1 | R185 R191 | R185-K187 VanDerWaalsContact C-N 3.28Å; R185-K187 PolarHBondContact O-N 2.99Å; K187-R191 WeakPolarHBondContact O-CB 3.48Å; K187-R191 PolarHBondContact O-N 3.43Å |
| 188 | E | 93 | Very high | 89.1 | Confident | 31 Ų | 31 | 53.8 Ų | 53.8 | 15% | 0.145 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.8 | -42.6 | 179.5 | -63.1 | 90.1 | 148.8 | 0 | 0 | 111 | R185 R191 V192 I217 | R185-E188 IonicContact CZ-OE1 2.75Å; R185-E188 IonicContact NH1-OE1 3.82Å; R185-E188 PolarHBondContact NH1-OE1 3.46Å; R185-E188 PolarHBondContact O-N 3.3Å; E188-R191 WeakPolarHBondContact O-CB 3.44Å; E188-R191 PolarHBondContact O-N 2.97Å; E188-V192 WeakPolarHBondContact O-CG2 3.42Å; E188-V192 PolarHBondContact O-N 2.66Å; E188-I217 HydrophobicContact CB-CD1 3.86Å; E188-I217 HydrophobicContact CB-CG1 4.37Å; E188-I217 HydrophobicContact CG-CD1 4.31Å |
| 189 | I | 93 | Very high | 89 | Confident | 18 Ų | 18 | 61.6 Ų | 61.6 | 9% | 0.092 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.3 | -47.6 | 175 | -65.7 | 165.7 | 0 | 0 | 0 | 110.4 | V182 R185 R191 V192 I193 I217 | V182-I189 HydrophobicContact CG1-CD1 4.07Å; R185-I189 HydrophobicContact CB-CD1 4.26Å; R185-I189 VanDerWaalsContact O-CG1 3.27Å; R185-I189 WeakPolarHBondContact O-CG1 3.32Å; R185-I189 PolarHBondContact O-N 2.62Å; I189-R191 VanDerWaalsContact C-N 3.27Å; I189-R191 PolarHBondContact O-N 2.91Å; I189-V192 WeakPolarHBondContact O-CB 3.21Å; I189-V192 PolarHBondContact O-N 3.04Å; I189-V192 VanDerWaalsContact O-N 3.16Å; I189-I193 HydrophobicContact CG2-CD1 3.95Å; I189-I193 WeakPolarHBondContact O-CG1 3.46Å; I189-I193 PolarHBondContact O-N 2.84Å; I189-I217 HydrophobicContact CG1-CG2 4.03Å |
| 190 | T | 92.9 | Very high | 88.8 | Confident | 73 Ų | 73 | 66 Ų | 66 | 45% | 0.448 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -57.9 | -43.1 | 175.4 | -59.3 | 0 | 0 | 0 | 0 | 110.7 | D186 V192 I193 E194 | D186-T190 VanDerWaalsContact O-CB 3.23Å; D186-T190 WeakPolarHBondContact O-CB 3.38Å; D186-T190 PolarHBondContact O-N 3.19Å; D186-T190 PolarHBondContact O-OG1 3.06Å; T190-V192 PolarHBondContact O-N 3.3Å; T190-I193 WeakPolarHBondContact O-CB 3.07Å; T190-I193 PolarHBondContact O-N 3.22Å; T190-E194 WeakPolarHBondContact O-CG 3.48Å; T190-E194 PolarHBondContact O-N 2.99Å |
| 191 | R | 93.8 | Very high | 88.8 | Confident | 89 Ų | 89 | 66.8 Ų | 66.8 | 34% | 0.336 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 177.8 | -175.2 | 54.1 | 171.8 | -170.2 | -9.5 | 112.4 | K187 E188 I189 E194 V195 V337 | K187-R191 WeakPolarHBondContact O-CB 3.48Å; K187-R191 PolarHBondContact O-N 3.43Å; E188-R191 WeakPolarHBondContact O-CB 3.44Å; E188-R191 PolarHBondContact O-N 2.97Å; I189-R191 VanDerWaalsContact C-N 3.27Å; I189-R191 PolarHBondContact O-N 2.91Å; R191-E194 WeakPolarHBondContact CD-OE2 3.11Å; R191-E194 IonicContact CZ-OE2 3.4Å; R191-E194 IonicContact NH1-OE2 3.35Å; R191-E194 PolarHBondContact NH1-OE2 3.25Å; R191-E194 WeakPolarHBondContact O-CB 3.45Å; R191-E194 PolarHBondContact O-N 3.22Å; R191-V195 VanDerWaalsContact O-CG2 3.27Å; R191-V195 WeakPolarHBondContact O-CG2 3.46Å; R191-V195 PolarHBondContact O-N 2.82Å; R191-V337 HydrophobicContact CB-CG1 4.36Å; R191-V337 HydrophobicContact CG-CG1 3.94Å; R191-V337 HydrophobicContact CG-CG2 3.98Å |
| 192 | V | 94.3 | Very high | 89 | Confident | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.006 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.1 | -45.4 | 174.2 | 165.2 | 0 | 0 | 0 | 0 | 110.5 | E188 I189 T190 E194 V195 L196 P204 L206 I217 L221 I312 | E188-V192 WeakPolarHBondContact O-CG2 3.42Å; E188-V192 PolarHBondContact O-N 2.66Å; I189-V192 WeakPolarHBondContact O-CB 3.21Å; I189-V192 PolarHBondContact O-N 3.04Å; I189-V192 VanDerWaalsContact O-N 3.16Å; T190-V192 PolarHBondContact O-N 3.3Å; V192-E194 PolarHBondContact O-N 3.46Å; V192-V195 PolarHBondContact O-N 3.02Å; V192-L196 HydrophobicContact CG1-CD1 3.64Å; V192-L196 HydrophobicContact CG1-CG 4.27Å; V192-L196 WeakPolarHBondContact O-CB 3.16Å; V192-L196 VanDerWaalsContact O-CG 3.26Å; V192-L196 WeakPolarHBondContact O-CG 3.22Å; V192-L196 PolarHBondContact O-N 3.18Å; V192-P204 HydrophobicContact CG1-CG 4.08Å; V192-P204 HydrophobicContact CG2-CB 4.35Å; V192-P204 HydrophobicContact CG2-CG 4.48Å; V192-L206 HydrophobicContact CG2-CD2 3.8Å; V192-I217 HydrophobicContact CG2-CG2 4.02Å; V192-L221 HydrophobicContact CG1-CD2 4.13Å; V192-I312 HydrophobicContact CG1-CD1 4.01Å |
| 193 | I | 92.9 | Very high | 89.3 | Confident | 22 Ų | 22 | 63.7 Ų | 63.7 | 11% | 0.113 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.6 | -45.6 | 176.2 | -70.2 | 166.4 | 0 | 0 | 0 | 111.5 | I189 T190 V195 L196 S197 L221 V230 P231 L234 | I189-I193 HydrophobicContact CG2-CD1 3.95Å; I189-I193 WeakPolarHBondContact O-CG1 3.46Å; I189-I193 PolarHBondContact O-N 2.84Å; T190-I193 WeakPolarHBondContact O-CB 3.07Å; T190-I193 PolarHBondContact O-N 3.22Å; I193-V195 VanDerWaalsContact C-N 3.34Å; I193-V195 PolarHBondContact O-N 3.25Å; I193-L196 PolarHBondContact O-N 3.37Å; I193-S197 WeakPolarHBondContact O-CB 3.28Å; I193-S197 PolarHBondContact O-N 2.71Å; I193-S197 PolarHBondContact O-OG 3.1Å; I193-L221 HydrophobicContact CD1-CD1 4.27Å; I193-L221 HydrophobicContact CG1-CD1 3.66Å; I193-V230 HydrophobicContact CD1-CG1 4.06Å; I193-V230 HydrophobicContact CG1-CG1 4.46Å; I193-P231 HydrophobicContact CG2-CG 3.87Å; I193-L234 HydrophobicContact CB-CD1 4.37Å; I193-L234 HydrophobicContact CG1-CD1 4.36Å; I193-L234 HydrophobicContact CG2-CD1 3.93Å |
| 194 | E | 91.8 | Very high | 89.7 | Confident | 93 Ų | 93 | 61.1 Ų | 61.1 | 44% | 0.435 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.5 | -45.5 | 176.2 | -75.5 | 179.1 | 176 | 0 | 0 | 111.6 | T190 R191 V192 S197 R198 | T190-E194 WeakPolarHBondContact O-CG 3.48Å; T190-E194 PolarHBondContact O-N 2.99Å; R191-E194 WeakPolarHBondContact CD-OE2 3.11Å; R191-E194 IonicContact CZ-OE2 3.4Å; R191-E194 IonicContact NH1-OE2 3.35Å; R191-E194 PolarHBondContact NH1-OE2 3.25Å; R191-E194 WeakPolarHBondContact O-CB 3.45Å; R191-E194 PolarHBondContact O-N 3.22Å; V192-E194 PolarHBondContact O-N 3.46Å; E194-S197 PolarHBondContact O-N 2.85Å; E194-R198 WeakPolarHBondContact O-CG 3.47Å |
| 195 | V | 92 | Very high | 90.2 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.4 | -48 | -179.1 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | R191 V192 I193 S197 R198 N202 P204 Q335 V337 | R191-V195 VanDerWaalsContact O-CG2 3.27Å; R191-V195 WeakPolarHBondContact O-CG2 3.46Å; R191-V195 PolarHBondContact O-N 2.82Å; V192-V195 PolarHBondContact O-N 3.02Å; I193-V195 VanDerWaalsContact C-N 3.34Å; I193-V195 PolarHBondContact O-N 3.25Å; V195-S197 PolarHBondContact O-N 3.41Å; V195-R198 WeakPolarHBondContact O-CB 3.38Å; V195-R198 PolarHBondContact O-N 3.22Å; V195-N202 WeakPolarHBondContact O-CA 3.47Å; V195-P204 HydrophobicContact CB-CB 4.12Å; V195-P204 HydrophobicContact CG1-CB 3.81Å; V195-P204 HydrophobicContact CG1-CG 4.22Å; V195-Q335 HydrophobicContact CG1-CB 3.76Å; V195-Q335 HydrophobicContact CG1-CG 4.18Å; V195-Q335 HydrophobicContact CG2-CB 4.26Å; V195-Q335 HydrophobicContact CG2-CG 3.73Å; V195-V337 HydrophobicContact CG2-CG2 4.46Å |
| 196 | L | 91.8 | Very high | 90.6 | Very high | 5 Ų | 5 | 58.3 Ų | 58.3 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.7 | -26.1 | 178.2 | -70.8 | 169.3 | 0 | 0 | 0 | 112.7 | V192 I193 R198 P204 L221 L234 I275 Q310 I312 | V192-L196 HydrophobicContact CG1-CD1 3.64Å; V192-L196 HydrophobicContact CG1-CG 4.27Å; V192-L196 WeakPolarHBondContact O-CB 3.16Å; V192-L196 VanDerWaalsContact O-CG 3.26Å; V192-L196 WeakPolarHBondContact O-CG 3.22Å; V192-L196 PolarHBondContact O-N 3.18Å; I193-L196 PolarHBondContact O-N 3.37Å; L196-R198 VanDerWaalsContact C-N 3.34Å; L196-P204 HydrophobicContact CD2-CG 4.06Å; L196-P204 HydrophobicContact CG-CG 4.07Å; L196-L221 HydrophobicContact CD1-CD1 4.5Å; L196-L221 HydrophobicContact CD1-CD2 3.66Å; L196-L234 HydrophobicContact CB-CD1 4.27Å; L196-L234 HydrophobicContact CB-CD2 4.15Å; L196-I275 HydrophobicContact CD1-CD1 4.35Å; L196-I275 HydrophobicContact CD2-CG2 4.42Å; L196-Q310 HydrophobicContact CD2-CG 3.58Å; L196-Q310 PolarHBondContact O-NE2 3.03Å; L196-I312 HydrophobicContact CD1-CD1 4.13Å; L196-I312 HydrophobicContact CD1-CG1 4.4Å; L196-I312 HydrophobicContact CD2-CG1 4.2Å |
| 197 | S | 88.4 | Confident | 90.8 | Very high | 50 Ų | 50 | 53.3 Ų | 53.3 | 35% | 0.35 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -4.9 | 178.5 | -59.9 | 0 | 0 | 0 | 0 | 113.9 | I193 E194 V195 | I193-S197 WeakPolarHBondContact O-CB 3.28Å; I193-S197 PolarHBondContact O-N 2.71Å; I193-S197 PolarHBondContact O-OG 3.1Å; E194-S197 PolarHBondContact O-N 2.85Å; V195-S197 PolarHBondContact O-N 3.41Å |
| 198 | R | 86.6 | Confident | 90.7 | Very high | 91 Ų | 91 | 44.8 Ų | 44.8 | 34% | 0.343 | 21% | 0.211 | S | C | . | . | trans | -73.8 | 152.7 | 178.5 | -64.6 | -179.3 | 179.2 | -178.1 | -0.3 | 111.7 | E194 V195 L196 T200 N202 | E194-R198 WeakPolarHBondContact O-CG 3.47Å; V195-R198 WeakPolarHBondContact O-CB 3.38Å; V195-R198 PolarHBondContact O-N 3.22Å; L196-R198 VanDerWaalsContact C-N 3.34Å; R198-T200 VanDerWaalsContact CB-O 3.26Å; R198-T200 WeakPolarHBondContact CB-O 3.27Å; R198-N202 WeakPolarHBondContact O-CB 3.12Å | ||
| 199 | R | 80.1 | Confident | 90.6 | Very high | 244 Ų | 244 | 47 Ų | 47 | 92% | 0.921 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -76.9 | -29.5 | 171.3 | -174 | 177.4 | 179.3 | -169.7 | 0.8 | 113.2 | ||
| 200 | T | 81 | Confident | 90.4 | Very high | 108 Ų | 108 | 49.9 Ų | 49.9 | 66% | 0.663 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -132.7 | 149.5 | 178.9 | 61.5 | 0 | 0 | 0 | 0 | 108.6 | R198 N202 | R198-T200 VanDerWaalsContact CB-O 3.26Å; R198-T200 WeakPolarHBondContact CB-O 3.27Å; T200-N202 VanDerWaalsContact C-N 3.34Å; T200-N202 PolarHBondContact O-N 2.85Å |
| 201 | K | 83.3 | Confident | 90.3 | Very high | 82 Ų | 82 | 47.6 Ų | 47.6 | 36% | 0.357 | 23% | 0.232 | S | C | . | . | S | Bend | trans | 51.6 | 51.9 | -171 | -60.4 | -170.7 | 175.9 | -159.5 | 0 | 112.3 | N203 R332 R333 | K201-N203 VanDerWaalsContact C-N 3.34Å; K201-R332 WeakPolarHBondContact CG-O 3.43Å; K201-R333 WeakPolarHBondContact CA-O 3.32Å |
| 202 | N | 88.8 | Confident | 90.2 | Very high | 22 Ų | 22 | 43.5 Ų | 43.5 | 12% | 0.118 | 22% | 0.217 | C | C | . | . | trans | -93.9 | 14 | -173.3 | 67.1 | -33.8 | 0 | 0 | 0 | 114 | V195 R198 T200 | V195-N202 WeakPolarHBondContact O-CA 3.47Å; R198-N202 WeakPolarHBondContact O-CB 3.12Å; T200-N202 VanDerWaalsContact C-N 3.34Å; T200-N202 PolarHBondContact O-N 2.85Å | ||
| 203 | N | 92.3 | Very high | 90 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 106 | 178.6 | -56.8 | -75.2 | 0 | 0 | 0 | 108.9 | K201 L309 Q310 C311 R333 F334 Q335 | K201-N203 VanDerWaalsContact C-N 3.34Å; N203-L309 PolarHBondContact OD1-O 3.49Å; N203-Q310 WeakPolarHBondContact OD1-CA 3.49Å; N203-C311 WeakPolarHBondContact CA-O 3.37Å; N203-C311 WeakPolarHBondContact CB-O 3.22Å; N203-C311 PolarHBondContact OD1-N 3.39Å; N203-C311 PolarHBondContact OD1-SG 3.2Å; N203-R333 PolarHBondContact ND2-O 2.76Å; N203-F334 HydrophobicContact CB-CD1 3.46Å; N203-F334 VanDerWaalsContact CB-CD1 3.46Å; N203-F334 HydrophobicContact CB-CE1 3.62Å; N203-F334 HydrophobicContact CB-CG 4.46Å; N203-F334 CarbonylContact O-C 3.5Å; N203-F334 VanDerWaalsContact O-CA 3.24Å; N203-F334 WeakPolarHBondContact O-CA 3.39Å; N203-Q335 PolarHBondContact O-N 2.9Å |
| 204 | P | 94.5 | Very high | 90 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 144.6 | 175 | 27.6 | -31.7 | 0 | 0 | 0 | 111.4 | V192 V195 L196 C311 I312 G313 Q335 V337 | V192-P204 HydrophobicContact CG1-CG 4.08Å; V192-P204 HydrophobicContact CG2-CB 4.35Å; V192-P204 HydrophobicContact CG2-CG 4.48Å; V195-P204 HydrophobicContact CB-CB 4.12Å; V195-P204 HydrophobicContact CG1-CB 3.81Å; V195-P204 HydrophobicContact CG1-CG 4.22Å; L196-P204 HydrophobicContact CD2-CG 4.06Å; L196-P204 HydrophobicContact CG-CG 4.07Å; P204-C311 WeakPolarHBondContact CD-O 3.35Å; P204-I312 HydrophobicContact CG-CB 4.37Å; P204-I312 HydrophobicContact CG-CG1 3.91Å; P204-I312 HydrophobicContact CG-CG2 4.27Å; P204-I312 WeakPolarHBondContact O-CA 3.3Å; P204-G313 PolarHBondContact O-N 2.92Å; P204-Q335 WeakPolarHBondContact CA-O 3.41Å; P204-V337 HydrophobicContact CB-CG2 4.09Å |
| 205 | V | 94.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 115.6 | 168.7 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | I207 L281 G313 T315 Y320 I324 F334 Q335 V337 | V205-I207 HydrophobicContact CG1-CG1 4.16Å; V205-I207 PolarHBondContact O-N 3.05Å; V205-L281 HydrophobicContact CG1-CD2 4.45Å; V205-L281 HydrophobicContact CG2-CD2 3.94Å; V205-G313 CarbonylContact C-O 3.59Å; V205-G313 VanDerWaalsContact CA-O 3.31Å; V205-G313 WeakPolarHBondContact CA-O 3.37Å; V205-T315 HydrophobicContact CG1-CG2 3.54Å; V205-Y320 HydrophobicContact CB-CE2 4.26Å; V205-Y320 HydrophobicContact CG1-CD2 3.89Å; V205-Y320 HydrophobicContact CG1-CE2 4.06Å; V205-I324 HydrophobicContact CG1-CD1 4.5Å; V205-F334 HydrophobicContact CG2-CB 3.59Å; V205-F334 HydrophobicContact CG2-CD1 3.18Å; V205-F334 HydrophobicContact CG2-CD2 4.38Å; V205-F334 HydrophobicContact CG2-CE1 3.9Å; V205-F334 HydrophobicContact CG2-CG 3.47Å; V205-F334 VanDerWaalsContact CG2-CG 3.47Å; V205-Q335 PolarHBondContact N-O 2.93Å; V205-V337 PolarHBondContact O-N 2.87Å |
| 206 | L | 95.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 111.6 | 175.1 | -58.4 | 176.3 | 0 | 0 | 0 | 108.7 | V192 K214 I217 I312 G313 T315 V337 V339 | V192-L206 HydrophobicContact CG2-CD2 3.8Å; L206-K214 HydrophobicContact CB-CB 4.48Å; L206-K214 HydrophobicContact CD1-CB 4.28Å; L206-K214 WeakPolarHBondContact CD1-O 3.48Å; L206-I217 HydrophobicContact CD1-CB 4.09Å; L206-I217 HydrophobicContact CD1-CD1 4.34Å; L206-I217 HydrophobicContact CD1-CG2 4.24Å; L206-I217 HydrophobicContact CD2-CD1 4.15Å; L206-I217 HydrophobicContact CD2-CG2 4.21Å; L206-I312 HydrophobicContact CD1-CG2 4.11Å; L206-I312 HydrophobicContact CG-CG2 4.24Å; L206-G313 PolarHBondContact N-O 3.49Å; L206-T315 PolarHBondContact O-N 2.88Å; L206-V337 HydrophobicContact CD2-CB 4.21Å; L206-V337 HydrophobicContact CD2-CG1 4.18Å; L206-V339 HydrophobicContact CB-CG2 4.01Å; L206-V339 HydrophobicContact CD2-CG2 3.94Å |
| 207 | I | 93.6 | Very high | 90 | Very high | 9 Ų | 9 | 43.9 Ų | 43.9 | 5% | 0.046 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 118.6 | 179.9 | -57.2 | 177.9 | 0 | 0 | 0 | 108.3 | V205 T315 L317 Y320 P336 V337 V339 | V205-I207 HydrophobicContact CG1-CG1 4.16Å; V205-I207 PolarHBondContact O-N 3.05Å; I207-T315 HydrophobicContact CG1-CG2 4.28Å; I207-L317 HydrophobicContact CG2-CB 3.95Å; I207-L317 HydrophobicContact CG2-CG 4.47Å; I207-Y320 HydrophobicContact CD1-CD1 3.71Å; I207-Y320 HydrophobicContact CD1-CD2 3.61Å; I207-Y320 HydrophobicContact CD1-CE1 3.92Å; I207-Y320 HydrophobicContact CD1-CE2 3.83Å; I207-Y320 HydrophobicContact CD1-CG 3.55Å; I207-Y320 HydrophobicContact CG1-CD2 4.04Å; I207-Y320 HydrophobicContact CG1-CG 4.18Å; I207-P336 HydrophobicContact CD1-CB 3.46Å; I207-P336 VanDerWaalsContact CD1-CB 3.46Å; I207-P336 HydrophobicContact CG1-CB 4.45Å; I207-V337 PolarHBondContact N-O 3.32Å; I207-V339 PolarHBondContact O-N 3.22Å |
| 208 | G | 91.5 | Very high | 90.2 | Very high | 3 Ų | 3 | 41.5 Ų | 41.5 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | trans | -170.3 | 176.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | K214 T315 T316 V339 | G208-K214 VanDerWaalsContact C-CE 3.43Å; G208-K214 WeakPolarHBondContact O-CE 3.14Å; G208-K214 PolarHBondContact O-NZ 2.72Å; G208-T315 PolarHBondContact N-O 3.4Å; G208-T316 WeakPolarHBondContact O-CA 3.5Å; G208-V339 WeakPolarHBondContact CA-O 3.48Å | ||
| 209 | E | 89.8 | Confident | 90.5 | Very high | 77 Ų | 77 | 39.1 Ų | 39.1 | 36% | 0.36 | 21% | 0.209 | S | C | . | . | trans | -72.7 | 160.8 | 174.9 | -63.6 | -57.3 | 143.2 | 0 | 0 | 111.5 | V212 K214 F386 | E209-V212 HydrophobicContact CB-CG1 4.13Å; E209-V212 VanDerWaalsContact O-CG2 3.28Å; E209-V212 WeakPolarHBondContact O-CG2 3.47Å; E209-K214 WeakPolarHBondContact O-CE 3.46Å; E209-F386 HydrophobicContact CB-CD1 4.31Å; E209-F386 HydrophobicContact CB-CD2 3.47Å; E209-F386 VanDerWaalsContact CB-CD2 3.47Å; E209-F386 HydrophobicContact CB-CE1 4.3Å; E209-F386 HydrophobicContact CB-CE2 3.47Å; E209-F386 VanDerWaalsContact CB-CE2 3.47Å; E209-F386 HydrophobicContact CB-CG 3.92Å; E209-F386 HydrophobicContact CB-CZ 3.9Å; E209-F386 HydrophobicContact CG-CD1 4.42Å; E209-F386 HydrophobicContact CG-CD2 4.15Å; E209-F386 HydrophobicContact CG-CE1 3.99Å; E209-F386 HydrophobicContact CG-CE2 3.69Å; E209-F386 HydrophobicContact CG-CG 4.5Å; E209-F386 HydrophobicContact CG-CZ 3.6Å | ||
| 210 | P | 89.9 | Confident | 91 | Very high | 79 Ų | 79 | 27.7 Ų | 27.7 | 51% | 0.513 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 143.6 | 170.6 | -21.6 | 34.3 | 0 | 0 | 0 | 111.1 | V212 T316 | P210-V212 VanDerWaalsContact C-N 3.34Å; P210-V212 PolarHBondContact O-N 2.81Å; P210-T316 HydrophobicContact CG-CG2 3.96Å |
| 211 | G | 89.5 | Confident | 91.6 | Very high | 25 Ų | 25 | 22.6 Ų | 22.6 | 26% | 0.258 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84 | -8.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | G213 P388 D389 | G211-G213 PolarHBondContact O-N 3.4Å; G211-G213 VanDerWaalsContact O-N 3.14Å; G211-P388 VanDerWaalsContact O-CD 3.27Å; G211-P388 WeakPolarHBondContact O-CD 3.46Å; G211-D389 VanDerWaalsContact CA-CB 3.48Å; G211-D389 VanDerWaalsContact O-CB 3.3Å; G211-D389 WeakPolarHBondContact O-CB 3.48Å; G211-D389 PolarHBondContact O-N 2.93Å |
| 212 | V | 91.6 | Very high | 92.1 | Very high | 2 Ų | 2 | 18.7 Ų | 18.7 | 1% | 0.012 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -70.4 | -8.7 | 179.4 | -56.6 | 0 | 0 | 0 | 0 | 114.5 | R185 E209 P210 K214 V339 E341 F386 L387 | R185-V212 PolarHBondContact NH2-O 3.18Å; E209-V212 HydrophobicContact CB-CG1 4.13Å; E209-V212 VanDerWaalsContact O-CG2 3.28Å; E209-V212 WeakPolarHBondContact O-CG2 3.47Å; P210-V212 VanDerWaalsContact C-N 3.34Å; P210-V212 PolarHBondContact O-N 2.81Å; V212-K214 HydrophobicContact CG2-CG 3.98Å; V212-V339 HydrophobicContact CG2-CB 4.32Å; V212-V339 HydrophobicContact CG2-CG1 3.68Å; V212-E341 HydrophobicContact CG1-CB 4.47Å; V212-F386 HydrophobicContact CG1-CB 4.04Å; V212-L387 WeakPolarHBondContact CA-O 3.38Å |
| 213 | G | 91 | Very high | 92.2 | Very high | 21 Ų | 21 | 19.9 Ų | 19.9 | 22% | 0.216 | 12% | 0.124 | C | C | . | . | trans | 94.4 | 40.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | G211 A216 I217 | G211-G213 PolarHBondContact O-N 3.4Å; G211-G213 VanDerWaalsContact O-N 3.14Å; G213-A216 WeakPolarHBondContact O-CB 3.22Å; G213-A216 PolarHBondContact O-N 3.22Å; G213-I217 PolarHBondContact O-N 3.05Å | ||
| 214 | K | 91.8 | Very high | 92.2 | Very high | 21 Ų | 21 | 20.2 Ų | 20.2 | 9% | 0.091 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.7 | -41.7 | 176.2 | -57.4 | 175.3 | -157 | 171.4 | 0 | 112.2 | L206 G208 E209 V212 A216 I217 A314 T315 | L206-K214 HydrophobicContact CB-CB 4.48Å; L206-K214 HydrophobicContact CD1-CB 4.28Å; L206-K214 WeakPolarHBondContact CD1-O 3.48Å; G208-K214 VanDerWaalsContact C-CE 3.43Å; G208-K214 WeakPolarHBondContact O-CE 3.14Å; G208-K214 PolarHBondContact O-NZ 2.72Å; E209-K214 WeakPolarHBondContact O-CE 3.46Å; V212-K214 HydrophobicContact CG2-CG 3.98Å; K214-A216 VanDerWaalsContact C-N 3.31Å; K214-A216 PolarHBondContact O-N 3.16Å; K214-I217 WeakPolarHBondContact O-CB 3.45Å; K214-I217 PolarHBondContact O-N 3.22Å; K214-A314 HydrophobicContact CB-CB 4.04Å; K214-A314 HydrophobicContact CD-CB 3.94Å; K214-T315 VanDerWaalsContact NZ-C 3.3Å; K214-T315 PolarHBondContact NZ-O 3.39Å |
| 215 | T | 90.8 | Very high | 92 | Very high | 54 Ų | 54 | 20.7 Ų | 20.7 | 33% | 0.331 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -64 | -37.5 | 177.6 | -48.4 | 0 | 0 | 0 | 0 | 111.6 | I217 A218 E219 F277 | T215-I217 PolarHBondContact O-N 3.08Å; T215-A218 WeakPolarHBondContact O-CB 3.49Å; T215-A218 PolarHBondContact O-N 2.61Å; T215-E219 PolarHBondContact O-N 3.32Å; T215-F277 HydrophobicContact CG2-CE1 4.14Å; T215-F277 HydrophobicContact CG2-CZ 4.44Å |
| 216 | A | 92 | Very high | 91.8 | Very high | 32 Ų | 32 | 22.7 Ų | 22.7 | 26% | 0.264 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -60.3 | -30.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V182 G213 K214 E219 G220 | V182-A216 VanDerWaalsContact CG2-O 3.32Å; V182-A216 WeakPolarHBondContact CG2-O 3.37Å; G213-A216 WeakPolarHBondContact O-CB 3.22Å; G213-A216 PolarHBondContact O-N 3.22Å; K214-A216 VanDerWaalsContact C-N 3.31Å; K214-A216 PolarHBondContact O-N 3.16Å; A216-E219 PolarHBondContact O-N 3.07Å; A216-G220 PolarHBondContact O-N 3.07Å |
| 217 | I | 93.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.6 | -37.7 | 174.7 | -61.5 | 167.2 | 0 | 0 | 0 | 110.9 | R185 E188 I189 V192 L206 G213 K214 T215 G220 L221 V339 | R185-I217 HydrophobicContact CB-CG1 4.39Å; R185-I217 HydrophobicContact CG-CG1 4.44Å; E188-I217 HydrophobicContact CB-CD1 3.86Å; E188-I217 HydrophobicContact CB-CG1 4.37Å; E188-I217 HydrophobicContact CG-CD1 4.31Å; I189-I217 HydrophobicContact CG1-CG2 4.03Å; V192-I217 HydrophobicContact CG2-CG2 4.02Å; L206-I217 HydrophobicContact CD1-CB 4.09Å; L206-I217 HydrophobicContact CD1-CD1 4.34Å; L206-I217 HydrophobicContact CD1-CG2 4.24Å; L206-I217 HydrophobicContact CD2-CD1 4.15Å; L206-I217 HydrophobicContact CD2-CG2 4.21Å; G213-I217 PolarHBondContact O-N 3.05Å; K214-I217 WeakPolarHBondContact O-CB 3.45Å; K214-I217 PolarHBondContact O-N 3.22Å; T215-I217 PolarHBondContact O-N 3.08Å; I217-G220 PolarHBondContact O-N 3.21Å; I217-L221 PolarHBondContact O-N 3.4Å; I217-V339 HydrophobicContact CD1-CB 4.4Å; I217-V339 HydrophobicContact CD1-CG1 3.79Å; I217-V339 HydrophobicContact CD1-CG2 3.63Å |
| 218 | A | 92.6 | Very high | 91.2 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.2 | -38.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L170 T215 L221 A222 F277 | L170-A218 HydrophobicContact CD1-CB 4.36Å; T215-A218 WeakPolarHBondContact O-CB 3.49Å; T215-A218 PolarHBondContact O-N 2.61Å; A218-L221 WeakPolarHBondContact O-CB 2.96Å; A218-L221 PolarHBondContact O-N 3.32Å; A218-A222 PolarHBondContact O-N 2.95Å; A218-A222 VanDerWaalsContact O-N 3.11Å; A218-F277 HydrophobicContact CB-CB 4.45Å; A218-F277 HydrophobicContact CB-CD1 4.31Å; A218-F277 HydrophobicContact CB-CD2 3.41Å; A218-F277 VanDerWaalsContact CB-CD2 3.41Å; A218-F277 HydrophobicContact CB-CE1 4.46Å; A218-F277 HydrophobicContact CB-CE2 3.6Å; A218-F277 HydrophobicContact CB-CG 3.8Å; A218-F277 HydrophobicContact CB-CZ 4.13Å |
| 219 | E | 92.7 | Very high | 91.1 | Very high | 40 Ų | 40 | 39 Ų | 39 | 19% | 0.187 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65 | -41 | 172 | -68.5 | 179.7 | 175 | 0 | 0 | 111.8 | L170 L179 V182 T215 A216 L221 A222 Q223 | L170-E219 HydrophobicContact CD1-CG 4.3Å; L170-E219 HydrophobicContact CD2-CG 4.47Å; L179-E219 HydrophobicContact CD1-CB 4.16Å; L179-E219 HydrophobicContact CD1-CG 4.39Å; L179-E219 HydrophobicContact CD2-CG 3.98Å; V182-E219 HydrophobicContact CG2-CB 4.4Å; T215-E219 PolarHBondContact O-N 3.32Å; A216-E219 PolarHBondContact O-N 3.07Å; E219-L221 VanDerWaalsContact C-N 3.31Å; E219-L221 PolarHBondContact O-N 3.47Å; E219-A222 WeakPolarHBondContact O-CB 3.33Å; E219-A222 PolarHBondContact O-N 3.3Å; E219-Q223 PolarHBondContact O-N 3.33Å |
| 220 | G | 92.5 | Very high | 91.1 | Very high | 5 Ų | 5 | 35.6 Ų | 35.6 | 5% | 0.052 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.3 | -38 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A216 I217 Q223 A224 | A216-G220 PolarHBondContact O-N 3.07Å; I217-G220 PolarHBondContact O-N 3.21Å; G220-Q223 PolarHBondContact O-N 2.91Å; G220-A224 WeakPolarHBondContact O-CB 3.16Å; G220-A224 PolarHBondContact O-N 3.12Å |
| 221 | L | 93.2 | Very high | 91 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.5 | -43 | 170.7 | 178.5 | 68.3 | 0 | 0 | 0 | 111.8 | V192 I193 L196 I217 A218 E219 Q223 A224 I225 V239 I275 I312 | V192-L221 HydrophobicContact CG1-CD2 4.13Å; I193-L221 HydrophobicContact CD1-CD1 4.27Å; I193-L221 HydrophobicContact CG1-CD1 3.66Å; L196-L221 HydrophobicContact CD1-CD1 4.5Å; L196-L221 HydrophobicContact CD1-CD2 3.66Å; I217-L221 PolarHBondContact O-N 3.4Å; A218-L221 WeakPolarHBondContact O-CB 2.96Å; A218-L221 PolarHBondContact O-N 3.32Å; E219-L221 VanDerWaalsContact C-N 3.31Å; E219-L221 PolarHBondContact O-N 3.47Å; L221-Q223 VanDerWaalsContact C-N 3.34Å; L221-Q223 PolarHBondContact O-N 3.08Å; L221-A224 PolarHBondContact O-N 3.1Å; L221-I225 HydrophobicContact CD1-CD1 4.26Å; L221-I225 HydrophobicContact CD1-CG1 4.43Å; L221-I225 HydrophobicContact CG-CD1 3.96Å; L221-I225 VanDerWaalsContact O-CG1 3.28Å; L221-I225 WeakPolarHBondContact O-CG1 3.42Å; L221-I225 PolarHBondContact O-N 3.17Å; L221-V239 HydrophobicContact CD2-CG2 4.27Å; L221-V239 HydrophobicContact CG-CG2 4.37Å; L221-I275 HydrophobicContact CD2-CD1 4.48Å; L221-I312 HydrophobicContact CD2-CD1 3.4Å; L221-I312 VanDerWaalsContact CD2-CD1 3.4Å |
| 222 | A | 92.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.5 | -42 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L170 A174 L179 A218 E219 I225 V226 V239 | L170-A222 HydrophobicContact CB-CB 3.85Å; A174-A222 HydrophobicContact CB-CB 4.43Å; L179-A222 HydrophobicContact CD1-CB 4.47Å; A218-A222 PolarHBondContact O-N 2.95Å; A218-A222 VanDerWaalsContact O-N 3.11Å; E219-A222 WeakPolarHBondContact O-CB 3.33Å; E219-A222 PolarHBondContact O-N 3.3Å; A222-I225 PolarHBondContact O-N 3.32Å; A222-V226 WeakPolarHBondContact O-CG2 3.38Å; A222-V226 PolarHBondContact O-N 3.41Å; A222-V226 VanDerWaalsContact O-N 3.09Å; A222-V239 HydrophobicContact CB-CB 4.16Å; A222-V239 HydrophobicContact CB-CG2 4.18Å |
| 223 | Q | 91.6 | Very high | 90.6 | Very high | 47 Ų | 47 | 45.1 Ų | 45.1 | 22% | 0.22 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.7 | -46.3 | 173.4 | -69.9 | 176.6 | 5 | 0 | 0 | 111.7 | A174 L179 D180 E219 G220 L221 I225 V226 N227 | A174-Q223 HydrophobicContact CB-CG 4.35Å; L179-Q223 HydrophobicContact CD1-CG 4.24Å; D180-Q223 PolarHBondContact O-NE2 2.85Å; E219-Q223 PolarHBondContact O-N 3.33Å; G220-Q223 PolarHBondContact O-N 2.91Å; L221-Q223 VanDerWaalsContact C-N 3.34Å; L221-Q223 PolarHBondContact O-N 3.08Å; Q223-I225 VanDerWaalsContact C-N 3.3Å; Q223-I225 PolarHBondContact O-N 3.48Å; Q223-V226 PolarHBondContact O-N 3.16Å; Q223-V226 VanDerWaalsContact O-N 3.16Å; Q223-N227 WeakPolarHBondContact O-CB 3.31Å; Q223-N227 VanDerWaalsContact O-CG 3.32Å; Q223-N227 PolarHBondContact O-N 3.46Å |
| 224 | A | 91 | Very high | 90.4 | Very high | 8 Ų | 8 | 44.1 Ų | 44.1 | 7% | 0.066 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.1 | -36.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G220 L221 N228 E229 V230 | G220-A224 WeakPolarHBondContact O-CB 3.16Å; G220-A224 PolarHBondContact O-N 3.12Å; L221-A224 PolarHBondContact O-N 3.1Å; A224-N228 PolarHBondContact O-N 3.02Å; A224-E229 HydrophobicContact CB-CB 4.36Å; A224-E229 PolarHBondContact O-N 3.49Å; A224-V230 HydrophobicContact CB-CG1 4Å |
| 225 | I | 91.5 | Very high | 90 | Very high | 9 Ų | 9 | 47.1 Ų | 47.1 | 5% | 0.046 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.9 | -44.8 | 175 | -69.4 | 164.5 | 0 | 0 | 0 | 110.8 | L221 A222 Q223 N227 N228 V230 K237 V239 I275 | L221-I225 HydrophobicContact CD1-CD1 4.26Å; L221-I225 HydrophobicContact CD1-CG1 4.43Å; L221-I225 HydrophobicContact CG-CD1 3.96Å; L221-I225 VanDerWaalsContact O-CG1 3.28Å; L221-I225 WeakPolarHBondContact O-CG1 3.42Å; L221-I225 PolarHBondContact O-N 3.17Å; A222-I225 PolarHBondContact O-N 3.32Å; Q223-I225 VanDerWaalsContact C-N 3.3Å; Q223-I225 PolarHBondContact O-N 3.48Å; I225-N227 VanDerWaalsContact C-N 3.34Å; I225-N228 PolarHBondContact O-N 3.47Å; I225-V230 HydrophobicContact CG1-CG1 3.84Å; I225-V230 HydrophobicContact CG1-CG2 4.1Å; I225-K237 WeakPolarHBondContact CG2-O 3.2Å; I225-V239 HydrophobicContact CD1-CG2 3.5Å; I225-V239 VanDerWaalsContact CD1-CG2 3.5Å; I225-I275 HydrophobicContact CD1-CD1 4.29Å |
| 226 | V | 90.8 | Very high | 89.8 | Confident | 42 Ų | 42 | 50.2 Ų | 50.2 | 26% | 0.255 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.9 | -38.9 | 178.7 | 173.4 | 0 | 0 | 0 | 0 | 111.5 | T171 A174 K175 A222 Q223 N228 | T171-V226 HydrophobicContact CG2-CG2 3.73Å; A174-V226 HydrophobicContact CB-CG2 3.97Å; K175-V226 HydrophobicContact CG-CG1 3.84Å; K175-V226 HydrophobicContact CG-CG2 3.81Å; A222-V226 WeakPolarHBondContact O-CG2 3.38Å; A222-V226 PolarHBondContact O-N 3.41Å; A222-V226 VanDerWaalsContact O-N 3.09Å; Q223-V226 PolarHBondContact O-N 3.16Å; Q223-V226 VanDerWaalsContact O-N 3.16Å; V226-N228 PolarHBondContact O-N 3.14Å |
| 227 | N | 88.5 | Confident | 89.6 | Confident | 102 Ų | 102 | 50.5 Ų | 50.5 | 55% | 0.545 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -1.2 | 179.5 | -66.3 | -15.1 | 0 | 0 | 0 | 113.8 | Q223 I225 E229 | Q223-N227 WeakPolarHBondContact O-CB 3.31Å; Q223-N227 VanDerWaalsContact O-CG 3.32Å; Q223-N227 PolarHBondContact O-N 3.46Å; I225-N227 VanDerWaalsContact C-N 3.34Å; N227-E229 VanDerWaalsContact C-N 3.27Å; N227-E229 HydrophobicContact CB-CG 4.09Å; N227-E229 PolarHBondContact O-N 2.88Å |
| 228 | N | 88.3 | Confident | 89.5 | Confident | 109 Ų | 109 | 53 Ų | 53 | 58% | 0.583 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | 29.7 | -175.4 | -61.7 | -65.7 | 0 | 0 | 0 | 114.7 | A224 I225 V226 V230 | A224-N228 PolarHBondContact O-N 3.02Å; I225-N228 PolarHBondContact O-N 3.47Å; V226-N228 PolarHBondContact O-N 3.14Å; N228-V230 PolarHBondContact O-N 2.93Å |
| 229 | E | 88 | Confident | 89.6 | Confident | 143 Ų | 143 | 53 Ų | 53 | 67% | 0.668 | 27% | 0.271 | S | S | * | . | trans | -86.1 | 6.4 | 176.3 | -65.9 | 177.7 | 170 | 0 | 0 | 112.7 | A224 N227 | A224-E229 HydrophobicContact CB-CB 4.36Å; A224-E229 PolarHBondContact O-N 3.49Å; N227-E229 VanDerWaalsContact C-N 3.27Å; N227-E229 HydrophobicContact CB-CG 4.09Å; N227-E229 PolarHBondContact O-N 2.88Å | ||
| 230 | V | 89.5 | Confident | 89.5 | Confident | 7 Ų | 7 | 51.1 Ų | 51.1 | 4% | 0.042 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -102.3 | 153.9 | -179.8 | -63.3 | 0 | 0 | 0 | 0 | 112.6 | I193 A224 I225 N228 L234 K235 | I193-V230 HydrophobicContact CD1-CG1 4.06Å; I193-V230 HydrophobicContact CG1-CG1 4.46Å; A224-V230 HydrophobicContact CB-CG1 4Å; I225-V230 HydrophobicContact CG1-CG1 3.84Å; I225-V230 HydrophobicContact CG1-CG2 4.1Å; N228-V230 PolarHBondContact O-N 2.93Å; V230-L234 HydrophobicContact CB-CB 3.99Å; V230-L234 HydrophobicContact CG2-CB 3.99Å; V230-K235 HydrophobicContact CG2-CG 4.33Å |
| 231 | P | 88.7 | Confident | 89.6 | Confident | 59 Ų | 59 | 52 Ų | 52 | 38% | 0.383 | 27% | 0.268 | S | S | . | . | trans | -56.9 | 158.4 | 172.4 | -23.5 | 33.5 | 0 | 0 | 0 | 112.7 | I193 T233 L234 K235 | I193-P231 HydrophobicContact CG2-CG 3.87Å; P231-T233 PolarHBondContact O-N 3.28Å; P231-L234 PolarHBondContact O-N 3.4Å; P231-K235 PolarHBondContact O-N 3.41Å | ||
| 232 | E | 86 | Confident | 89.4 | Confident | 161 Ų | 161 | 52.4 Ų | 52.4 | 75% | 0.752 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -27.1 | -178.8 | -62.1 | -164.3 | 148.1 | 0 | 0 | 114.1 | L234 K235 | E232-L234 PolarHBondContact O-N 3.12Å; E232-K235 HydrophobicContact CG-CD 4.31Å; E232-K235 PolarHBondContact O-N 3.27Å; E232-K235 IonicContact OE1-NZ 3.92Å |
| 233 | T | 85.6 | Confident | 89 | Confident | 85 Ų | 85 | 55.9 Ų | 55.9 | 52% | 0.521 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -21.2 | 176.2 | 51.9 | 0 | 0 | 0 | 0 | 114.1 | P231 K237 | P231-T233 PolarHBondContact O-N 3.28Å; T233-K237 WeakPolarHBondContact O-CE 3.41Å; T233-K237 PolarHBondContact O-NZ 2.93Å |
| 234 | L | 87.6 | Confident | 88.5 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | -3.5 | -178.8 | -59.9 | -177.9 | 0 | 0 | 0 | 112.7 | I193 L196 V230 P231 E232 K237 I275 | I193-L234 HydrophobicContact CB-CD1 4.37Å; I193-L234 HydrophobicContact CG1-CD1 4.36Å; I193-L234 HydrophobicContact CG2-CD1 3.93Å; L196-L234 HydrophobicContact CB-CD1 4.27Å; L196-L234 HydrophobicContact CB-CD2 4.15Å; V230-L234 HydrophobicContact CB-CB 3.99Å; V230-L234 HydrophobicContact CG2-CB 3.99Å; P231-L234 PolarHBondContact O-N 3.4Å; E232-L234 PolarHBondContact O-N 3.12Å; L234-K237 HydrophobicContact CD2-CD 3.85Å; L234-K237 PolarHBondContact O-N 3.49Å; L234-I275 HydrophobicContact CD2-CD1 4.45Å |
| 235 | K | 84.3 | Confident | 88 | Confident | 83 Ų | 83 | 57.2 Ų | 57.2 | 36% | 0.361 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 145.4 | 170.8 | -71.7 | -176.7 | -176.3 | 174.3 | 0 | 109.9 | V230 P231 E232 K237 | V230-K235 HydrophobicContact CG2-CG 4.33Å; P231-K235 PolarHBondContact O-N 3.41Å; E232-K235 HydrophobicContact CG-CD 4.31Å; E232-K235 PolarHBondContact O-N 3.27Å; E232-K235 IonicContact OE1-NZ 3.92Å; K235-K237 PolarHBondContact O-N 3.23Å; K235-K237 VanDerWaalsContact O-N 3.12Å |
| 236 | D | 84.8 | Confident | 87.6 | Confident | 119 Ų | 119 | 58.9 Ų | 58.9 | 64% | 0.636 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | 10.8 | -179.2 | -64.7 | -61.9 | 0 | 0 | 0 | 116.7 | K156 N273 | K156-D236 IonicContact NZ-OD1 3.23Å; D236-N273 PolarHBondContact O-ND2 2.78Å |
| 237 | K | 89.4 | Confident | 87.1 | Confident | 38 Ų | 38 | 56.9 Ų | 56.9 | 17% | 0.165 | 31% | 0.305 | C | S | . | . | trans | -78.4 | 150 | 172.6 | -68.2 | -166.5 | 175 | 179.3 | 0 | 112 | I225 T233 L234 K235 N273 I275 | I225-K237 WeakPolarHBondContact CG2-O 3.2Å; T233-K237 WeakPolarHBondContact O-CE 3.41Å; T233-K237 PolarHBondContact O-NZ 2.93Å; L234-K237 HydrophobicContact CD2-CD 3.85Å; L234-K237 PolarHBondContact O-N 3.49Å; K235-K237 PolarHBondContact O-N 3.23Å; K235-K237 VanDerWaalsContact O-N 3.12Å; K237-N273 CarbonylContact C-O 3.56Å; K237-N273 VanDerWaalsContact CA-O 3.27Å; K237-N273 WeakPolarHBondContact CA-O 3.37Å; K237-I275 HydrophobicContact CB-CD1 3.97Å; K237-I275 HydrophobicContact CB-CG1 4.3Å; K237-I275 HydrophobicContact CD-CD1 3.76Å; K237-I275 HydrophobicContact CD-CG1 3.91Å | ||
| 238 | R | 91.2 | Very high | 86.7 | Confident | 55 Ų | 55 | 54.9 Ų | 54.9 | 21% | 0.208 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 128.8 | 175.4 | -65 | 172.6 | 64.2 | -160.7 | 0.1 | 109.2 | T160 D164 D169 M240 N273 I275 | T160-R238 PolarHBondContact OG1-NH1 2.78Å; D164-R238 IonicContact OD1-CZ 3.82Å; D164-R238 IonicContact OD1-NH1 3.64Å; D164-R238 IonicContact OD1-NH2 2.78Å; D164-R238 PolarHBondContact OD1-NH2 3.42Å; D169-R238 IonicContact OD2-CZ 3.48Å; D169-R238 VanDerWaalsContact OD2-CZ 3.25Å; D169-R238 IonicContact OD2-NE 2.82Å; D169-R238 PolarHBondContact OD2-NE 2.75Å; D169-R238 IonicContact OD2-NH2 3.23Å; D169-R238 PolarHBondContact OD2-NH2 3.38Å; R238-M240 HydrophobicContact CB-CG 4.35Å; R238-N273 PolarHBondContact N-O 3.31Å; R238-I275 PolarHBondContact O-N 3.28Å |
| 239 | V | 93 | Very high | 86.2 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 114.9 | 173.6 | -173.5 | 0 | 0 | 0 | 0 | 108.1 | L170 T171 L221 A222 I225 I275 | L170-V239 HydrophobicContact CB-CB 4.34Å; L170-V239 HydrophobicContact CB-CG1 4.39Å; L170-V239 HydrophobicContact CD1-CG1 3.99Å; L170-V239 PolarHBondContact N-O 3.46Å; T171-V239 PolarHBondContact OG1-N 3.49Å; L221-V239 HydrophobicContact CD2-CG2 4.27Å; L221-V239 HydrophobicContact CG-CG2 4.37Å; A222-V239 HydrophobicContact CB-CB 4.16Å; A222-V239 HydrophobicContact CB-CG2 4.18Å; I225-V239 HydrophobicContact CD1-CG2 3.5Å; I225-V239 VanDerWaalsContact CD1-CG2 3.5Å; V239-I275 WeakPolarHBondContact CA-O 3.34Å |
| 240 | M | 92.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 120.7 | -175.8 | -59.7 | -166.1 | 75.9 | 0 | 0 | 110 | L163 D164 A167 D169 R238 V274 I275 L276 F277 | L163-M240 HydrophobicContact CD1-CE 4.49Å; L163-M240 HydrophobicContact CD2-CE 3.93Å; L163-M240 HydrophobicContact CD2-SD 3.28Å; L163-M240 WeakPolarHBondContact CD2-SD 3.29Å; L163-M240 HydrophobicContact CG-CE 3.62Å; L163-M240 HydrophobicContact CG-SD 3.71Å; D164-M240 VanDerWaalsContact OD1-CE 3.22Å; D164-M240 WeakPolarHBondContact OD1-CE 3.22Å; A167-M240 HydrophobicContact CB-CB 4.27Å; A167-M240 HydrophobicContact CB-CE 4.21Å; D169-M240 HydrophobicContact CB-CE 4.4Å; R238-M240 HydrophobicContact CB-CG 4.35Å; M240-V274 HydrophobicContact CB-CG1 4.32Å; M240-V274 HydrophobicContact CG-CG1 4.1Å; M240-V274 HydrophobicContact SD-CG1 4Å; M240-V274 HydrophobicContact SD-CG2 4.38Å; M240-I275 PolarHBondContact N-O 3.36Å; M240-L276 CarbonylContact O-C 3.59Å; M240-L276 WeakPolarHBondContact O-CA 3.5Å; M240-F277 PolarHBondContact O-N 3.29Å |
| 241 | S | 93.1 | Very high | 85.2 | Confident | 25 Ų | 25 | 50 Ų | 50 | 18% | 0.175 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 116.8 | 177.2 | -178.8 | 0 | 0 | 0 | 0 | 110 | A167 R168 | A167-S241 CarbonylContact C-O 3.44Å; A167-S241 WeakPolarHBondContact CA-O 3.46Å; A167-S241 WeakPolarHBondContact CB-O 3.46Å; R168-S241 PolarHBondContact N-O 3.45Å; R168-S241 PolarHBondContact O-N 2.94Å |
| 242 | L | 89.6 | Confident | 84.6 | Confident | 7 Ų | 7 | 56 Ų | 56 | 4% | 0.037 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 114.5 | 178.3 | -174.9 | 67.8 | 0 | 0 | 0 | 110 | L166 A167 M244 V247 L261 L276 F277 | L166-L242 HydrophobicContact CB-CD1 4.39Å; A167-L242 HydrophobicContact CB-CD1 4.41Å; L242-M244 HydrophobicContact CD2-SD 4.45Å; L242-V247 HydrophobicContact CD1-CG2 3.77Å; L242-V247 HydrophobicContact CG-CG2 4.17Å; L242-L261 HydrophobicContact CD2-CD2 4.44Å; L242-L276 HydrophobicContact CB-CD1 3.9Å; L242-L276 HydrophobicContact CB-CG 4.38Å; L242-L276 HydrophobicContact CD2-CD2 4.28Å; L242-F277 PolarHBondContact N-O 3.4Å |
| 243 | D | 84.2 | Confident | 84.3 | Confident | 73 Ų | 73 | 56.1 Ų | 56.1 | 39% | 0.39 | 32% | 0.316 | S | S | . | . | trans | -89.3 | 115.1 | 174.2 | 177.6 | 4.2 | 0 | 0 | 0 | 110.1 | G245 T246 V247 | D243-G245 PolarHBondContact O-N 3.21Å; D243-G245 PolarHBondContact OD1-N 3.22Å; D243-T246 HydrophobicContact CB-CG2 4.01Å; D243-T246 PolarHBondContact O-N 3.11Å; D243-T246 VanDerWaalsContact O-N 3.1Å; D243-T246 PolarHBondContact O-OG1 3.3Å; D243-V247 PolarHBondContact O-N 3.15Å | ||
| 244 | M | 81 | Confident | 83.9 | Confident | 37 Ų | 37 | 58.6 Ų | 58.6 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.1 | -30.9 | 178.4 | -67.6 | -50.1 | -55.5 | 0 | 0 | 113 | L242 T246 V247 V248 F257 L284 | L242-M244 HydrophobicContact CD2-SD 4.45Å; M244-T246 VanDerWaalsContact C-N 3.31Å; M244-T246 PolarHBondContact O-N 3.31Å; M244-V247 PolarHBondContact O-N 2.94Å; M244-V248 WeakPolarHBondContact O-CG2 3.41Å; M244-V248 PolarHBondContact O-N 2.84Å; M244-F257 HydrophobicContact CE-CE2 3.8Å; M244-F257 HydrophobicContact CE-CZ 3.69Å; M244-L284 HydrophobicContact CE-CD2 3.36Å; M244-L284 HydrophobicContact CE-CG 4.21Å; M244-L284 HydrophobicContact SD-CD1 4.21Å; M244-L284 HydrophobicContact SD-CD2 3.55Å; M244-L284 VanDerWaalsContact SD-CD2 3.55Å; M244-L284 HydrophobicContact SD-CG 3.91Å |
| 245 | G | 80.4 | Confident | 83.5 | Confident | 46 Ų | 46 | 60.8 Ų | 60.8 | 47% | 0.474 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.8 | -41.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | D243 A249 | D243-G245 PolarHBondContact O-N 3.21Å; D243-G245 PolarHBondContact OD1-N 3.22Å; G245-A249 VanDerWaalsContact O-CB 3.29Å; G245-A249 WeakPolarHBondContact O-CB 3.44Å; G245-A249 PolarHBondContact O-N 2.9Å |
| 246 | T | 83.1 | Confident | 83.5 | Confident | 45 Ų | 45 | 60.6 Ų | 60.6 | 28% | 0.276 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -70.9 | -33.5 | 178.1 | 68.4 | 0 | 0 | 0 | 0 | 112.8 | L166 D243 M244 A249 | L166-T246 PolarHBondContact O-OG1 3.02Å; D243-T246 HydrophobicContact CB-CG2 4.01Å; D243-T246 PolarHBondContact O-N 3.11Å; D243-T246 VanDerWaalsContact O-N 3.1Å; D243-T246 PolarHBondContact O-OG1 3.3Å; M244-T246 VanDerWaalsContact C-N 3.31Å; M244-T246 PolarHBondContact O-N 3.31Å; T246-A249 PolarHBondContact O-N 2.91Å |
| 247 | V | 80.3 | Confident | 83.3 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.3 | -43.1 | 178 | -176.4 | 0 | 0 | 0 | 0 | 110.3 | L242 D243 M244 T251 F257 R260 L261 | L242-V247 HydrophobicContact CD1-CG2 3.77Å; L242-V247 HydrophobicContact CG-CG2 4.17Å; D243-V247 PolarHBondContact O-N 3.15Å; M244-V247 PolarHBondContact O-N 2.94Å; V247-T251 WeakPolarHBondContact O-CG2 3.47Å; V247-F257 HydrophobicContact CB-CE2 4.18Å; V247-F257 HydrophobicContact CG1-CD2 3.71Å; V247-F257 HydrophobicContact CG1-CE2 3.48Å; V247-F257 VanDerWaalsContact CG1-CE2 3.48Å; V247-F257 HydrophobicContact CG1-CZ 4.29Å; V247-R260 PolarHBondContact O-NH1 2.93Å; V247-L261 HydrophobicContact CG1-CD2 4.07Å; V247-L261 HydrophobicContact CG1-CG 4.14Å |
| 248 | V | 80.6 | Confident | 82.9 | Confident | 60 Ų | 60 | 56.2 Ų | 56.2 | 36% | 0.364 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -71.8 | -33.4 | 177.1 | 178 | 0 | 0 | 0 | 0 | 111.5 | M244 G250 T251 F257 I294 | M244-V248 WeakPolarHBondContact O-CG2 3.41Å; M244-V248 PolarHBondContact O-N 2.84Å; V248-G250 PolarHBondContact O-N 2.74Å; V248-G250 VanDerWaalsContact O-N 3.16Å; V248-T251 PolarHBondContact O-N 2.78Å; V248-T251 PolarHBondContact O-OG1 3.24Å; V248-F257 HydrophobicContact CG2-CD2 4.06Å; V248-F257 HydrophobicContact CG2-CE2 3.91Å; V248-I294 HydrophobicContact CG2-CD1 4.15Å |
| 249 | A | 77.7 | Confident | 82.7 | Confident | 61 Ų | 61 | 58.8 Ų | 58.8 | 50% | 0.504 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 119.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | G245 T246 T251 R260 | G245-A249 VanDerWaalsContact O-CB 3.29Å; G245-A249 WeakPolarHBondContact O-CB 3.44Å; G245-A249 PolarHBondContact O-N 2.9Å; T246-A249 PolarHBondContact O-N 2.91Å; A249-T251 VanDerWaalsContact C-N 3.34Å; A249-R260 PolarHBondContact O-NH1 2.91Å |
| 250 | G | 75.9 | Confident | 82.2 | Confident | 71 Ų | 71 | 62 Ų | 62 | 73% | 0.732 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | 8.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | V248 | V248-G250 PolarHBondContact O-N 2.74Å; V248-G250 VanDerWaalsContact O-N 3.16Å |
| 251 | T | 80.5 | Confident | 81.8 | Confident | 25 Ų | 25 | 62.4 Ų | 62.4 | 15% | 0.153 | 34% | 0.344 | C | S | . | . | trans | -101.3 | 129.6 | 164.8 | 66.6 | 0 | 0 | 0 | 0 | 109.2 | V247 V248 A249 E256 F257 | V247-T251 WeakPolarHBondContact O-CG2 3.47Å; V248-T251 PolarHBondContact O-N 2.78Å; V248-T251 PolarHBondContact O-OG1 3.24Å; A249-T251 VanDerWaalsContact C-N 3.34Å; T251-E256 WeakPolarHBondContact CA-OE2 3.42Å; T251-E256 HydrophobicContact CG2-CB 4.07Å; T251-F257 HydrophobicContact CG2-CB 4.34Å | ||
| 252 | K | 76.9 | Confident | 81.4 | Confident | 185 Ų | 185 | 67 Ų | 67 | 80% | 0.804 | 36% | 0.36 | S | S | * | . | trans | -101.4 | -29.2 | 174.5 | -69.4 | -176.6 | -179.9 | -179.9 | 0 | 111.8 | E256 | K252-E256 PolarHBondContact N-OE2 2.88Š| ||
| 253 | Y | 78.8 | Confident | 81.3 | Confident | 163 Ų | 163 | 71.1 Ų | 71.1 | 64% | 0.639 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -118.4 | 146.2 | -175.7 | -59.1 | -76.5 | 0 | 0 | 0 | 110.5 | G255 E256 F257 | Y253-G255 PolarHBondContact O-N 3.42Å; Y253-E256 PolarHBondContact N-OE2 2.79Å; Y253-E256 WeakPolarHBondContact O-CB 3.08Å; Y253-E256 PolarHBondContact O-N 3.12Å; Y253-E256 VanDerWaalsContact O-N 3.08Å; Y253-F257 PolarHBondContact O-N 2.74Å |
| 254 | R | 77.2 | Confident | 81.4 | Confident | 136 Ų | 136 | 67.7 Ų | 67.7 | 51% | 0.513 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -51.8 | -38.3 | 175.2 | 178.4 | -179.1 | 168.3 | 158.8 | 5.9 | 113.2 | E256 F257 E258 | R254-E256 VanDerWaalsContact C-N 3.34Å; R254-E256 PolarHBondContact O-N 2.96Å; R254-F257 WeakPolarHBondContact O-CB 3.21Å; R254-F257 PolarHBondContact O-N 3.19Å; R254-E258 HydrophobicContact CG-CG 4.48Å; R254-E258 IonicContact CZ-OE1 2.89Å; R254-E258 IonicContact NE-OE1 2.62Å; R254-E258 PolarHBondContact NE-OE1 3.27Å; R254-E258 IonicContact NH2-OE1 2.84Å; R254-E258 PolarHBondContact NH2-OE1 3.41Å; R254-E258 PolarHBondContact O-N 3.44Å |
| 255 | G | 79 | Confident | 81.7 | Confident | 48 Ų | 48 | 67.1 Ų | 67.1 | 50% | 0.495 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.9 | -35.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y253 E258 E259 | Y253-G255 PolarHBondContact O-N 3.42Å; G255-E258 PolarHBondContact O-N 3.3Å; G255-E259 WeakPolarHBondContact O-CB 3.31Å; G255-E259 PolarHBondContact O-N 2.91Å |
| 256 | E | 83.8 | Confident | 81.9 | Confident | 79 Ų | 79 | 69.1 Ų | 69.1 | 37% | 0.369 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -68.2 | -39.2 | 177 | -64.6 | 173 | 166.9 | 0 | 0 | 111.1 | T251 K252 Y253 R254 E259 R260 | T251-E256 WeakPolarHBondContact CA-OE2 3.42Å; T251-E256 HydrophobicContact CG2-CB 4.07Å; K252-E256 PolarHBondContact N-OE2 2.88Å; Y253-E256 PolarHBondContact N-OE2 2.79Å; Y253-E256 WeakPolarHBondContact O-CB 3.08Å; Y253-E256 PolarHBondContact O-N 3.12Å; Y253-E256 VanDerWaalsContact O-N 3.08Å; R254-E256 VanDerWaalsContact C-N 3.34Å; R254-E256 PolarHBondContact O-N 2.96Å; E256-E259 PolarHBondContact O-N 2.81Å; E256-R260 WeakPolarHBondContact O-CB 3.5Å; E256-R260 PolarHBondContact O-N 3.45Å |
| 257 | F | 80.8 | Confident | 82.1 | Confident | 4 Ų | 4 | 67.9 Ų | 67.9 | 2% | 0.018 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.9 | -48.1 | 173.7 | 172.6 | -85.4 | 0 | 0 | 0 | 111.4 | M244 V247 V248 T251 Y253 R254 E259 R260 L261 I294 A296 | M244-F257 HydrophobicContact CE-CE2 3.8Å; M244-F257 HydrophobicContact CE-CZ 3.69Å; V247-F257 HydrophobicContact CB-CE2 4.18Å; V247-F257 HydrophobicContact CG1-CD2 3.71Å; V247-F257 HydrophobicContact CG1-CE2 3.48Å; V247-F257 VanDerWaalsContact CG1-CE2 3.48Å; V247-F257 HydrophobicContact CG1-CZ 4.29Å; V248-F257 HydrophobicContact CG2-CD2 4.06Å; V248-F257 HydrophobicContact CG2-CE2 3.91Å; T251-F257 HydrophobicContact CG2-CB 4.34Å; Y253-F257 PolarHBondContact O-N 2.74Å; R254-F257 WeakPolarHBondContact O-CB 3.21Å; R254-F257 PolarHBondContact O-N 3.19Å; F257-E259 PolarHBondContact O-N 2.67Å; F257-R260 PolarHBondContact O-N 3.14Å; F257-L261 HydrophobicContact CD1-CD1 4.02Å; F257-L261 HydrophobicContact CE1-CD1 3.22Å; F257-L261 HydrophobicContact CE1-CG 4.05Å; F257-L261 HydrophobicContact CE2-CD1 4.42Å; F257-L261 HydrophobicContact CZ-CD1 3.48Å; F257-L261 VanDerWaalsContact CZ-CD1 3.48Å; F257-L261 HydrophobicContact CZ-CG 4.13Å; F257-L261 PolarHBondContact O-N 3.24Å; F257-I294 HydrophobicContact CD1-CG2 3.33Å; F257-I294 HydrophobicContact CD2-CD1 4.31Å; F257-I294 HydrophobicContact CE1-CB 4.31Å; F257-I294 HydrophobicContact CE1-CG2 3.14Å; F257-I294 HydrophobicContact CE2-CD1 4.29Å; F257-I294 HydrophobicContact CE2-CG2 4.41Å; F257-I294 HydrophobicContact CG-CG2 4.06Å; F257-I294 HydrophobicContact CZ-CG2 3.73Å; F257-A296 HydrophobicContact CE1-CB 4.23Å |
| 258 | E | 82 | Confident | 82.4 | Confident | 61 Ų | 61 | 68.1 Ų | 68.1 | 29% | 0.285 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63 | -41.3 | 178 | -73.1 | -178 | -172.5 | 0 | 0 | 111.9 | R254 G255 L261 K262 I299 | R254-E258 HydrophobicContact CG-CG 4.48Å; R254-E258 IonicContact CZ-OE1 2.89Å; R254-E258 IonicContact NE-OE1 2.62Å; R254-E258 PolarHBondContact NE-OE1 3.27Å; R254-E258 IonicContact NH2-OE1 2.84Å; R254-E258 PolarHBondContact NH2-OE1 3.41Å; R254-E258 PolarHBondContact O-N 3.44Å; G255-E258 PolarHBondContact O-N 3.3Å; E258-L261 PolarHBondContact O-N 2.91Å; E258-K262 WeakPolarHBondContact O-CB 2.91Å; E258-K262 PolarHBondContact O-N 3.33Å; E258-I299 HydrophobicContact CB-CD1 3.83Å; E258-I299 HydrophobicContact CG-CD1 3.89Å |
| 259 | E | 85.4 | Confident | 82.6 | Confident | 108 Ų | 108 | 69.9 Ų | 69.9 | 51% | 0.505 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 176.2 | -167.3 | -168.4 | 148.6 | 0 | 0 | 111.6 | G255 E256 F257 K262 K263 | G255-E259 WeakPolarHBondContact O-CB 3.31Å; G255-E259 PolarHBondContact O-N 2.91Å; E256-E259 PolarHBondContact O-N 2.81Å; F257-E259 PolarHBondContact O-N 2.67Å; E259-K262 PolarHBondContact O-N 3.49Å; E259-K263 WeakPolarHBondContact O-CG 3.44Å; E259-K263 PolarHBondContact O-N 2.89Å; E259-K263 VanDerWaalsContact OE1-CE 3.3Å; E259-K263 WeakPolarHBondContact OE1-CE 3.23Å; E259-K263 IonicContact OE1-NZ 3.58Å; E259-K263 PolarHBondContact OE1-NZ 2.9Å |
| 260 | R | 83.7 | Confident | 82.9 | Confident | 68 Ų | 68 | 74.1 Ų | 74.1 | 26% | 0.257 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.1 | -46 | 177.8 | -174.4 | 176.6 | -75.9 | 176.3 | -5.9 | 111.5 | L166 V247 A249 E256 F257 K262 K263 V264 | L166-R260 HydrophobicContact CD1-CG 3.69Å; V247-R260 PolarHBondContact O-NH1 2.93Å; A249-R260 PolarHBondContact O-NH1 2.91Å; E256-R260 WeakPolarHBondContact O-CB 3.5Å; E256-R260 PolarHBondContact O-N 3.45Å; F257-R260 PolarHBondContact O-N 3.14Å; R260-K262 VanDerWaalsContact C-N 3.29Å; R260-K262 PolarHBondContact O-N 3.31Å; R260-K263 PolarHBondContact O-N 3.09Å; R260-V264 WeakPolarHBondContact O-CG2 3.46Å; R260-V264 PolarHBondContact O-N 3.32Å; R260-V264 VanDerWaalsContact O-N 3.09Å |
| 261 | L | 84.1 | Confident | 83.3 | Confident | 8 Ų | 8 | 71.6 Ų | 71.6 | 4% | 0.042 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.3 | -41.3 | 173.5 | -82.7 | -177.2 | 0 | 0 | 0 | 111.6 | L242 V247 F257 E258 K263 V264 M265 L284 A296 I299 | L242-L261 HydrophobicContact CD2-CD2 4.44Å; V247-L261 HydrophobicContact CG1-CD2 4.07Å; V247-L261 HydrophobicContact CG1-CG 4.14Å; F257-L261 HydrophobicContact CD1-CD1 4.02Å; F257-L261 HydrophobicContact CE1-CD1 3.22Å; F257-L261 HydrophobicContact CE1-CG 4.05Å; F257-L261 HydrophobicContact CE2-CD1 4.42Å; F257-L261 HydrophobicContact CZ-CD1 3.48Å; F257-L261 VanDerWaalsContact CZ-CD1 3.48Å; F257-L261 HydrophobicContact CZ-CG 4.13Å; F257-L261 PolarHBondContact O-N 3.24Å; E258-L261 PolarHBondContact O-N 2.91Å; L261-K263 VanDerWaalsContact C-N 3.33Å; L261-K263 PolarHBondContact O-N 2.93Å; L261-V264 WeakPolarHBondContact O-CB 3.29Å; L261-V264 PolarHBondContact O-N 3.44Å; L261-M265 VanDerWaalsContact O-CG 3.25Å; L261-M265 WeakPolarHBondContact O-CG 3.41Å; L261-M265 PolarHBondContact O-N 3.45Å; L261-L284 HydrophobicContact CD1-CD2 4.36Å; L261-A296 HydrophobicContact CD1-CB 3.68Å; L261-I299 HydrophobicContact CB-CD1 4.39Å |
| 262 | K | 85.1 | Confident | 83.3 | Confident | 122 Ų | 122 | 73.4 Ų | 73.4 | 53% | 0.53 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.6 | -42 | 177.9 | -170.1 | 178.8 | 175.8 | -174.6 | 0 | 112.2 | E258 E259 R260 M265 E266 | E258-K262 WeakPolarHBondContact O-CB 2.91Å; E258-K262 PolarHBondContact O-N 3.33Å; E259-K262 PolarHBondContact O-N 3.49Å; R260-K262 VanDerWaalsContact C-N 3.29Å; R260-K262 PolarHBondContact O-N 3.31Å; K262-M265 PolarHBondContact O-N 2.98Å; K262-E266 WeakPolarHBondContact CE-OE1 3.31Å; K262-E266 WeakPolarHBondContact O-CG 3.29Å; K262-E266 PolarHBondContact O-N 3.35Å |
| 263 | K | 86.4 | Confident | 83.8 | Confident | 94 Ų | 94 | 67.1 Ų | 67.1 | 41% | 0.409 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.9 | -44.9 | 174 | -73.2 | 174.6 | -174.6 | 163 | 0 | 112.1 | T162 E259 R260 L261 M265 E266 E267 | T162-K263 HydrophobicContact CG2-CB 4.47Å; E259-K263 WeakPolarHBondContact O-CG 3.44Å; E259-K263 PolarHBondContact O-N 2.89Å; E259-K263 VanDerWaalsContact OE1-CE 3.3Å; E259-K263 WeakPolarHBondContact OE1-CE 3.23Å; E259-K263 IonicContact OE1-NZ 3.58Å; E259-K263 PolarHBondContact OE1-NZ 2.9Å; R260-K263 PolarHBondContact O-N 3.09Å; L261-K263 VanDerWaalsContact C-N 3.33Å; L261-K263 PolarHBondContact O-N 2.93Å; K263-M265 VanDerWaalsContact C-N 3.28Å; K263-M265 PolarHBondContact O-N 3.5Å; K263-E266 PolarHBondContact O-N 2.86Å; K263-E267 WeakPolarHBondContact O-CG 3.23Å; K263-E267 PolarHBondContact O-N 3.18Å |
| 264 | V | 87.4 | Confident | 84.4 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.7 | -43.9 | 175.2 | 170.7 | 0 | 0 | 0 | 0 | 111 | T162 L163 L166 R260 L261 E267 I268 | T162-V264 HydrophobicContact CG2-CG2 4.07Å; L163-V264 HydrophobicContact CD1-CG1 3.79Å; L166-V264 HydrophobicContact CD1-CG2 3.66Å; R260-V264 WeakPolarHBondContact O-CG2 3.46Å; R260-V264 PolarHBondContact O-N 3.32Å; R260-V264 VanDerWaalsContact O-N 3.09Å; L261-V264 WeakPolarHBondContact O-CB 3.29Å; L261-V264 PolarHBondContact O-N 3.44Å; V264-E267 PolarHBondContact O-N 2.86Å; V264-I268 HydrophobicContact CG1-CD1 3.79Å; V264-I268 HydrophobicContact CG1-CG1 4.44Å; V264-I268 VanDerWaalsContact O-CG1 3.27Å; V264-I268 WeakPolarHBondContact O-CG1 3.38Å; V264-I268 PolarHBondContact O-N 3.47Å |
| 265 | M | 85.9 | Confident | 85.1 | Confident | 24 Ų | 24 | 53.2 Ų | 53.2 | 12% | 0.118 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 178.8 | -68 | -58.6 | -58.6 | 0 | 0 | 113 | L261 K262 K263 I268 Q269 I299 L300 A303 L309 | L261-M265 VanDerWaalsContact O-CG 3.25Å; L261-M265 WeakPolarHBondContact O-CG 3.41Å; L261-M265 PolarHBondContact O-N 3.45Å; K262-M265 PolarHBondContact O-N 2.98Å; K263-M265 VanDerWaalsContact C-N 3.28Å; K263-M265 PolarHBondContact O-N 3.5Å; M265-I268 PolarHBondContact O-N 2.98Å; M265-I268 HydrophobicContact SD-CD1 4.38Å; M265-Q269 WeakPolarHBondContact O-CB 3.42Å; M265-Q269 PolarHBondContact O-N 3.44Å; M265-Q269 VanDerWaalsContact O-N 3.08Å; M265-I299 HydrophobicContact CG-CG2 4.16Å; M265-L300 HydrophobicContact CE-CD2 4.43Å; M265-L300 HydrophobicContact SD-CD2 3.96Å; M265-A303 HydrophobicContact CE-CB 3.16Å; M265-L309 HydrophobicContact CE-CB 3.92Å; M265-L309 HydrophobicContact CE-CD1 4Å; M265-L309 HydrophobicContact CE-CD2 3.86Å; M265-L309 HydrophobicContact CE-CG 4.13Å; M265-L309 HydrophobicContact SD-CD1 4.15Å; M265-L309 HydrophobicContact SD-CD2 4.24Å |
| 266 | E | 86 | Confident | 85.8 | Confident | 88 Ų | 88 | 51.1 Ų | 51.1 | 41% | 0.411 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.6 | -40.2 | 175.4 | -73.2 | 173.1 | -170.9 | 0 | 0 | 111.6 | K262 K263 Q269 Q270 | K262-E266 WeakPolarHBondContact CE-OE1 3.31Å; K262-E266 WeakPolarHBondContact O-CG 3.29Å; K262-E266 PolarHBondContact O-N 3.35Å; K263-E266 PolarHBondContact O-N 2.86Å; E266-Q269 PolarHBondContact O-N 2.9Å; E266-Q270 VanDerWaalsContact O-CG 3.32Å; E266-Q270 WeakPolarHBondContact O-CG 3.39Å; E266-Q270 PolarHBondContact O-N 3.5Å |
| 267 | E | 87.1 | Confident | 86.3 | Confident | 20 Ų | 20 | 47.4 Ų | 47.4 | 9% | 0.093 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66 | -42.7 | 175.5 | -74.1 | -176.8 | -175.1 | 0 | 0 | 112.6 | T160 P161 T162 L163 K263 V264 Q269 Q270 A271 | T160-E267 WeakPolarHBondContact CA-OE2 3.22Å; T160-E267 HydrophobicContact CG2-CB 4.22Å; P161-E267 WeakPolarHBondContact CD-OE1 3.29Å; P161-E267 WeakPolarHBondContact CG-OE1 3.37Å; T162-E267 WeakPolarHBondContact CA-OE2 3.29Å; T162-E267 VanDerWaalsContact CB-CD 3.47Å; T162-E267 WeakPolarHBondContact CB-OE1 3.02Å; T162-E267 WeakPolarHBondContact CB-OE2 3.48Å; T162-E267 VanDerWaalsContact N-CD 3.32Å; T162-E267 PolarHBondContact N-OE1 3.06Å; T162-E267 PolarHBondContact N-OE2 3.42Å; T162-E267 PolarHBondContact OG1-OE1 3.31Å; L163-E267 PolarHBondContact N-OE2 2.95Å; K263-E267 WeakPolarHBondContact O-CG 3.23Å; K263-E267 PolarHBondContact O-N 3.18Å; V264-E267 PolarHBondContact O-N 2.86Å; E267-Q269 VanDerWaalsContact C-N 3.3Å; E267-Q269 PolarHBondContact O-N 3.28Å; E267-Q270 PolarHBondContact O-N 2.74Å; E267-A271 WeakPolarHBondContact O-CB 3.49Å; E267-A271 PolarHBondContact O-N 3.41Å |
| 268 | I | 87.1 | Confident | 86.8 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.5 | -44 | 176 | -70 | 167.7 | 0 | 0 | 0 | 110.4 | L163 V264 M265 A271 G272 V274 L276 L309 | L163-I268 HydrophobicContact CD2-CD1 4.44Å; L163-I268 HydrophobicContact CD2-CG1 3.84Å; V264-I268 HydrophobicContact CG1-CD1 3.79Å; V264-I268 HydrophobicContact CG1-CG1 4.44Å; V264-I268 VanDerWaalsContact O-CG1 3.27Å; V264-I268 WeakPolarHBondContact O-CG1 3.38Å; V264-I268 PolarHBondContact O-N 3.47Å; M265-I268 PolarHBondContact O-N 2.98Å; M265-I268 HydrophobicContact SD-CD1 4.38Å; I268-A271 PolarHBondContact O-N 3.39Å; I268-G272 PolarHBondContact O-N 3.02Å; I268-V274 HydrophobicContact CG1-CG1 4.26Å; I268-V274 HydrophobicContact CG2-CB 4.37Å; I268-L276 HydrophobicContact CD1-CD1 4.21Å; I268-L276 HydrophobicContact CD1-CD2 4.13Å; I268-L309 HydrophobicContact CD1-CD1 4.05Å; I268-L309 HydrophobicContact CG2-CD1 4.02Å |
| 269 | Q | 83.2 | Confident | 87.1 | Confident | 97 Ų | 97 | 47.7 Ų | 47.7 | 45% | 0.453 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.3 | -42.8 | 178.7 | -174.5 | -178.1 | 10.5 | 0 | 0 | 112.1 | M265 E266 E267 E308 | M265-Q269 WeakPolarHBondContact O-CB 3.42Å; M265-Q269 PolarHBondContact O-N 3.44Å; M265-Q269 VanDerWaalsContact O-N 3.08Å; E266-Q269 PolarHBondContact O-N 2.9Å; E267-Q269 VanDerWaalsContact C-N 3.3Å; E267-Q269 PolarHBondContact O-N 3.28Å; Q269-E308 HydrophobicContact CG-CB 4.4Å; Q269-E308 HydrophobicContact CG-CG 4.33Å; Q269-E308 PolarHBondContact NE2-OE1 3.38Å; Q269-E308 PolarHBondContact NE2-OE2 3.49Å |
| 270 | Q | 84.2 | Confident | 87.2 | Confident | 151 Ų | 151 | 47.7 Ų | 47.7 | 71% | 0.706 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -68.7 | -36.2 | 179.3 | -72.4 | 175.2 | 21.5 | 0 | 0 | 112.5 | E266 E267 | E266-Q270 VanDerWaalsContact O-CG 3.32Å; E266-Q270 WeakPolarHBondContact O-CG 3.39Å; E266-Q270 PolarHBondContact O-N 3.5Å; E267-Q270 PolarHBondContact O-N 2.74Å |
| 271 | A | 83.9 | Confident | 87.4 | Confident | 17 Ų | 17 | 44.6 Ų | 44.6 | 14% | 0.14 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -72.3 | -42.2 | -180 | 0 | 0 | 0 | 0 | 0 | 112.4 | T160 E267 I268 N273 V274 | T160-A271 HydrophobicContact CG2-CB 3.63Å; E267-A271 WeakPolarHBondContact O-CB 3.49Å; E267-A271 PolarHBondContact O-N 3.41Å; I268-A271 PolarHBondContact O-N 3.39Å; A271-N273 PolarHBondContact O-N 3.2Å; A271-N273 PolarHBondContact O-OD1 3.16Å; A271-V274 HydrophobicContact CB-CG2 3.88Å |
| 272 | G | 81.4 | Confident | 87.3 | Confident | 64 Ų | 64 | 45.4 Ų | 45.4 | 66% | 0.66 | 23% | 0.234 | S | C | * | . | trans | 65.9 | -3.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | I268 | I268-G272 PolarHBondContact O-N 3.02Š| ||
| 273 | N | 88.2 | Confident | 87.1 | Confident | 53 Ų | 53 | 42 Ų | 42 | 28% | 0.283 | 22% | 0.223 | S | C | . | . | trans | -120.8 | 23.8 | -178.4 | 72.9 | -35.5 | 0 | 0 | 0 | 112.9 | D236 K237 R238 A271 | D236-N273 PolarHBondContact O-ND2 2.78Å; K237-N273 CarbonylContact C-O 3.56Å; K237-N273 VanDerWaalsContact CA-O 3.27Å; K237-N273 WeakPolarHBondContact CA-O 3.37Å; R238-N273 PolarHBondContact N-O 3.31Å; A271-N273 PolarHBondContact O-N 3.2Å; A271-N273 PolarHBondContact O-OD1 3.16Å | ||
| 274 | V | 90.3 | Very high | 86.7 | Confident | 7 Ų | 7 | 37.7 Ų | 37.7 | 4% | 0.042 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 132.3 | -177.2 | 179.3 | 0 | 0 | 0 | 0 | 110.6 | L163 M240 I268 A271 | L163-V274 HydrophobicContact CD2-CG1 3.94Å; L163-V274 HydrophobicContact CD2-CG2 4.47Å; M240-V274 HydrophobicContact CB-CG1 4.32Å; M240-V274 HydrophobicContact CG-CG1 4.1Å; M240-V274 HydrophobicContact SD-CG1 4Å; M240-V274 HydrophobicContact SD-CG2 4.38Å; I268-V274 HydrophobicContact CG1-CG1 4.26Å; I268-V274 HydrophobicContact CG2-CB 4.37Å; A271-V274 HydrophobicContact CB-CG2 3.88Å |
| 275 | I | 92.2 | Very high | 86.1 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 116.5 | 167 | -60.6 | 169.8 | 0 | 0 | 0 | 106.8 | L196 L221 I225 L234 K237 R238 V239 M240 Q310 I312 | L196-I275 HydrophobicContact CD1-CD1 4.35Å; L196-I275 HydrophobicContact CD2-CG2 4.42Å; L221-I275 HydrophobicContact CD2-CD1 4.48Å; I225-I275 HydrophobicContact CD1-CD1 4.29Å; L234-I275 HydrophobicContact CD2-CD1 4.45Å; K237-I275 HydrophobicContact CB-CD1 3.97Å; K237-I275 HydrophobicContact CB-CG1 4.3Å; K237-I275 HydrophobicContact CD-CD1 3.76Å; K237-I275 HydrophobicContact CD-CG1 3.91Å; R238-I275 PolarHBondContact O-N 3.28Å; V239-I275 WeakPolarHBondContact CA-O 3.34Å; M240-I275 PolarHBondContact N-O 3.36Å; I275-Q310 HydrophobicContact CG1-CG 4.3Å; I275-I312 HydrophobicContact CG2-CD1 3.83Å; I275-I312 HydrophobicContact CG2-CG1 3.9Å |
| 276 | L | 92.8 | Very high | 84.9 | Confident | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 119.1 | -178.9 | -166.3 | 70.2 | 0 | 0 | 0 | 110.3 | L163 M240 L242 I268 I278 L309 Q310 C311 I312 | L163-L276 HydrophobicContact CD1-CD1 4.18Å; M240-L276 CarbonylContact O-C 3.59Å; M240-L276 WeakPolarHBondContact O-CA 3.5Å; L242-L276 HydrophobicContact CB-CD1 3.9Å; L242-L276 HydrophobicContact CB-CG 4.38Å; L242-L276 HydrophobicContact CD2-CD2 4.28Å; I268-L276 HydrophobicContact CD1-CD1 4.21Å; I268-L276 HydrophobicContact CD1-CD2 4.13Å; L276-I278 HydrophobicContact CD2-CD1 3.8Å; L276-I278 HydrophobicContact CD2-CG1 3.92Å; L276-I278 HydrophobicContact CG-CD1 4.37Å; L276-I278 HydrophobicContact CG-CG1 4.04Å; L276-L309 HydrophobicContact CB-CD1 4.3Å; L276-L309 HydrophobicContact CD2-CD1 4.11Å; L276-Q310 PolarHBondContact N-O 3.31Å; L276-C311 HydrophobicContact CB-CB 4.11Å; L276-C311 CarbonylContact O-C 3.51Å; L276-C311 WeakPolarHBondContact O-CA 3.31Å; L276-C311 VanDerWaalsContact O-CB 3.31Å; L276-C311 WeakPolarHBondContact O-CB 3.44Å; L276-I312 PolarHBondContact O-N 3.34Å |
| 277 | F | 94.8 | Very high | 83.1 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 124.5 | 167.3 | 178.4 | -105.3 | 0 | 0 | 0 | 109 | T215 A218 M240 L242 D279 I312 A314 | T215-F277 HydrophobicContact CG2-CE1 4.14Å; T215-F277 HydrophobicContact CG2-CZ 4.44Å; A218-F277 HydrophobicContact CB-CB 4.45Å; A218-F277 HydrophobicContact CB-CD1 4.31Å; A218-F277 HydrophobicContact CB-CD2 3.41Å; A218-F277 VanDerWaalsContact CB-CD2 3.41Å; A218-F277 HydrophobicContact CB-CE1 4.46Å; A218-F277 HydrophobicContact CB-CE2 3.6Å; A218-F277 HydrophobicContact CB-CG 3.8Å; A218-F277 HydrophobicContact CB-CZ 4.13Å; M240-F277 PolarHBondContact O-N 3.29Å; L242-F277 PolarHBondContact N-O 3.4Å; F277-D279 HydrophobicContact CE1-CB 4.06Å; F277-D279 HydrophobicContact CZ-CB 4.44Å; F277-I312 WeakPolarHBondContact CA-O 3.47Å; F277-I312 HydrophobicContact CD2-CB 4.03Å; F277-I312 HydrophobicContact CD2-CG2 3.92Å; F277-I312 HydrophobicContact CE2-CG2 4.28Å; F277-A314 HydrophobicContact CE2-CB 4.24Å; F277-A314 HydrophobicContact CZ-CB 4.17Å |
| 278 | I | 91.2 | Very high | 80.9 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 109.7 | 176.8 | -62.1 | 162.1 | 0 | 0 | 0 | 106.8 | L276 L281 L284 C311 I312 G313 A314 | L276-I278 HydrophobicContact CD2-CD1 3.8Å; L276-I278 HydrophobicContact CD2-CG1 3.92Å; L276-I278 HydrophobicContact CG-CD1 4.37Å; L276-I278 HydrophobicContact CG-CG1 4.04Å; I278-L281 HydrophobicContact CB-CD1 4.26Å; I278-L281 HydrophobicContact CD1-CD1 4.04Å; I278-L281 HydrophobicContact CG2-CB 4.45Å; I278-L281 HydrophobicContact CG2-CD1 4.05Å; I278-L284 HydrophobicContact CD1-CD1 3.71Å; I278-L284 HydrophobicContact CG1-CD1 4.2Å; I278-L284 HydrophobicContact CG2-CD1 3.61Å; I278-L284 HydrophobicContact CG2-CG 4.5Å; I278-C311 HydrophobicContact CD1-CB 4.41Å; I278-I312 PolarHBondContact N-O 3.32Å; I278-G313 WeakPolarHBondContact O-CA 3.28Å; I278-A314 PolarHBondContact O-N 2.96Å |
| 279 | D | 88.7 | Confident | 78.8 | Confident | 69 Ų | 69 | 43 Ų | 43 | 37% | 0.369 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 148.2 | 166.6 | -151.4 | -5 | 0 | 0 | 0 | 109.7 | F277 L281 | F277-D279 HydrophobicContact CE1-CB 4.06Å; F277-D279 HydrophobicContact CZ-CB 4.44Å; D279-L281 PolarHBondContact O-N 3.11Å |
| 280 | E | 86.7 | Confident | 76.8 | Confident | 108 Ų | 108 | 42 Ų | 42 | 51% | 0.505 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 54.6 | -177.8 | -60 | -174.6 | 163.1 | 0 | 0 | 113.5 | H282 T283 A314 | E280-H282 PolarHBondContact O-N 2.88Å; E280-T283 HydrophobicContact CB-CG2 3.85Å; E280-T283 WeakPolarHBondContact O-CB 3.47Å; E280-T283 WeakPolarHBondContact O-CG2 3.37Å; E280-T283 PolarHBondContact O-N 3.11Å; E280-T283 PolarHBondContact O-OG1 3.35Å; E280-A314 CarbonylContact C-O 3.51Å; E280-A314 WeakPolarHBondContact CA-O 3.1Å; E280-A314 PolarHBondContact N-O 3.16Å |
| 281 | L | 88 | Confident | 74.8 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.016 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | -30 | -174.7 | 179.3 | 66.4 | 0 | 0 | 0 | 113.8 | V205 I278 D279 T283 L284 A314 I324 F334 | V205-L281 HydrophobicContact CG1-CD2 4.45Å; V205-L281 HydrophobicContact CG2-CD2 3.94Å; I278-L281 HydrophobicContact CB-CD1 4.26Å; I278-L281 HydrophobicContact CD1-CD1 4.04Å; I278-L281 HydrophobicContact CG2-CB 4.45Å; I278-L281 HydrophobicContact CG2-CD1 4.05Å; D279-L281 PolarHBondContact O-N 3.11Å; L281-T283 PolarHBondContact O-N 3.38Å; L281-L284 PolarHBondContact O-N 2.95Å; L281-A314 PolarHBondContact N-O 3.43Å; L281-I324 HydrophobicContact CD2-CD1 3.74Å; L281-I324 HydrophobicContact CG-CD1 4.26Å; L281-F334 HydrophobicContact CD1-CZ 4.34Å; L281-F334 HydrophobicContact CD2-CD1 4.49Å; L281-F334 HydrophobicContact CD2-CE1 3.91Å; L281-F334 HydrophobicContact CD2-CE2 4.14Å; L281-F334 HydrophobicContact CD2-CZ 3.73Å |
| 282 | H | 83.7 | Confident | 73.3 | Confident | 26 Ų | 26 | 47.7 Ų | 47.7 | 12% | 0.12 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.5 | -25.2 | 179 | 65.4 | -91.8 | 0 | 0 | 0 | 113.8 | E280 L284 V285 G286 E319 N323 | E280-H282 PolarHBondContact O-N 2.88Å; H282-L284 VanDerWaalsContact C-N 3.29Å; H282-L284 PolarHBondContact O-N 2.9Å; H282-V285 PolarHBondContact O-N 3.35Å; H282-G286 PolarHBondContact O-N 3.06Å; H282-E319 HydrophobicContact CB-CB 3.91Å; H282-E319 HydrophobicContact CB-CG 4.26Å; H282-E319 IonicContact CE1-OE1 3.95Å; H282-E319 PolarHBondContact CE1-OE1 3.09Å; H282-E319 VanDerWaalsContact CE1-OE1 3.3Å; H282-E319 IonicContact CE1-OE2 3.94Å; H282-E319 PolarHBondContact CE1-OE2 3.16Å; H282-E319 IonicContact CG-OE2 2.82Å; H282-E319 IonicContact ND1-OE1 2.81Å; H282-E319 IonicContact ND1-OE2 3.73Å; H282-E319 PolarHBondContact ND1-OE2 3.4Å; H282-E319 IonicContact NE2-OE1 2.96Å; H282-E319 IonicContact NE2-OE2 3.82Å; H282-N323 HydrophobicContact CB-CB 4.48Å |
| 283 | T | 80.7 | Confident | 72 | Confident | 50 Ų | 50 | 47 Ų | 47 | 31% | 0.307 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.5 | -34.3 | 178 | 59.4 | 0 | 0 | 0 | 0 | 112.1 | E280 L281 | E280-T283 HydrophobicContact CB-CG2 3.85Å; E280-T283 WeakPolarHBondContact O-CB 3.47Å; E280-T283 WeakPolarHBondContact O-CG2 3.37Å; E280-T283 PolarHBondContact O-N 3.11Å; E280-T283 PolarHBondContact O-OG1 3.35Å; L281-T283 PolarHBondContact O-N 3.38Å |
| 284 | L | 78.2 | Confident | 70.7 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.016 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -79.3 | -29.4 | 176.6 | -72.3 | 174.8 | 0 | 0 | 0 | 113.4 | M244 L261 I278 L281 H282 G286 A296 S297 L300 | M244-L284 HydrophobicContact CE-CD2 3.36Å; M244-L284 HydrophobicContact CE-CG 4.21Å; M244-L284 HydrophobicContact SD-CD1 4.21Å; M244-L284 HydrophobicContact SD-CD2 3.55Å; M244-L284 VanDerWaalsContact SD-CD2 3.55Å; M244-L284 HydrophobicContact SD-CG 3.91Å; L261-L284 HydrophobicContact CD1-CD2 4.36Å; I278-L284 HydrophobicContact CD1-CD1 3.71Å; I278-L284 HydrophobicContact CG1-CD1 4.2Å; I278-L284 HydrophobicContact CG2-CD1 3.61Å; I278-L284 HydrophobicContact CG2-CG 4.5Å; L281-L284 PolarHBondContact O-N 2.95Å; H282-L284 VanDerWaalsContact C-N 3.29Å; H282-L284 PolarHBondContact O-N 2.9Å; L284-G286 VanDerWaalsContact C-N 3.33Å; L284-A296 HydrophobicContact CB-CB 4.36Å; L284-A296 HydrophobicContact CD2-CB 3.78Å; L284-A296 CarbonylContact O-C 3.58Å; L284-A296 WeakPolarHBondContact O-CA 3.26Å; L284-A296 WeakPolarHBondContact O-CB 3.42Å; L284-A296 PolarHBondContact O-N 3.02Å; L284-A296 VanDerWaalsContact O-N 3.08Å; L284-S297 PolarHBondContact O-N 2.92Å; L284-L300 HydrophobicContact CB-CD1 3.94Å; L284-L300 HydrophobicContact CD1-CD1 3.99Å; L284-L300 HydrophobicContact CG-CD1 4.48Å |
| 285 | V | 74 | Confident | 69.6 | Low | 14 Ų | 14 | 49.1 Ų | 49.1 | 9% | 0.085 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -80.8 | -19.5 | -176.9 | -179.5 | 0 | 0 | 0 | 0 | 111.6 | H282 N323 L330 | H282-V285 PolarHBondContact O-N 3.35Å; V285-N323 HydrophobicContact CG1-CB 4.42Å; V285-N323 WeakPolarHBondContact CG1-O 3.49Å; V285-L330 HydrophobicContact CB-CD1 4.28Å; V285-L330 HydrophobicContact CG1-CD1 3.48Å; V285-L330 VanDerWaalsContact CG1-CD1 3.48Å; V285-L330 HydrophobicContact CG2-CD1 3.71Å |
| 286 | G | 60.6 | Low | 68.8 | Low | 17 Ų | 17 | 49.1 Ų | 49.1 | 18% | 0.175 | 34% | 0.336 | C | S | . | . | trans | 85.1 | 109 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | H282 L284 G288 | H282-G286 PolarHBondContact O-N 3.06Å; L284-G286 VanDerWaalsContact C-N 3.33Å; G286-G288 PolarHBondContact O-N 3.28Å | ||
| 287 | A | 47.7 | Very low | 68 | Low | 51 Ų | 51 | 49.3 Ų | 49.3 | 42% | 0.421 | 34% | 0.337 | S | S | . | . | trans | -71.1 | 103.4 | 161.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | G289 | A287-G289 PolarHBondContact O-N 3.3Š| ||
| 288 | G | 41.9 | Very low | 67.2 | Low | 91 Ų | 91 | 54.1 Ų | 54.1 | 94% | 0.938 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 52.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | G286 | G286-G288 PolarHBondContact O-N 3.28Š|
| 289 | G | 43.1 | Very low | 66.7 | Low | 76 Ų | 76 | 56 Ų | 56 | 78% | 0.784 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.1 | -10.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | A287 | A287-G289 PolarHBondContact O-N 3.3Š|
| 290 | A | 40.6 | Very low | 66.4 | Low | 76 Ų | 76 | 53.4 Ų | 53.4 | 63% | 0.628 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -137.3 | 137.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | G292 A293 | A290-G292 PolarHBondContact O-N 2.99Å; A290-A293 PolarHBondContact O-N 3.2Å |
| 291 | E | 42 | Very low | 66.2 | Low | 222 Ų | 222 | 50.9 Ų | 50.9 | 100% | 1.037 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 7.1 | -175.2 | -76 | -176.6 | 142.5 | 0 | 0 | 116.4 | ||
| 292 | G | 52.2 | Low | 66 | Low | 65 Ų | 65 | 53.3 Ų | 53.3 | 67% | 0.67 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.5 | 2.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | A290 I294 | A290-G292 PolarHBondContact O-N 2.99Å; G292-I294 PolarHBondContact O-N 2.89Å |
| 293 | A | 53.6 | Low | 66 | Low | 49 Ų | 49 | 52.3 Ų | 52.3 | 41% | 0.405 | 36% | 0.359 | S | S | . | . | trans | -69.4 | 126.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111 | A290 D295 | A290-A293 PolarHBondContact O-N 3.2Å; A293-D295 PolarHBondContact O-N 2.89Å | ||
| 294 | I | 61.8 | Low | 66.2 | Low | 56 Ų | 56 | 50.2 Ų | 50.2 | 29% | 0.287 | 35% | 0.345 | S | S | . | . | trans | -79.5 | 103.6 | -175.2 | -53.5 | 170.5 | 0 | 0 | 0 | 109.1 | V248 F257 G292 A296 | V248-I294 HydrophobicContact CG2-CD1 4.15Å; F257-I294 HydrophobicContact CD1-CG2 3.33Å; F257-I294 HydrophobicContact CD2-CD1 4.31Å; F257-I294 HydrophobicContact CE1-CB 4.31Å; F257-I294 HydrophobicContact CE1-CG2 3.14Å; F257-I294 HydrophobicContact CE2-CD1 4.29Å; F257-I294 HydrophobicContact CE2-CG2 4.41Å; F257-I294 HydrophobicContact CG-CG2 4.06Å; F257-I294 HydrophobicContact CZ-CG2 3.73Å; G292-I294 PolarHBondContact O-N 2.89Å; I294-A296 PolarHBondContact O-N 2.9Å; I294-A296 VanDerWaalsContact O-N 3.16Å | ||
| 295 | D | 67.3 | Low | 66.2 | Low | 50 Ų | 50 | 52.5 Ų | 52.5 | 27% | 0.267 | 37% | 0.365 | S | S | . | . | trans | -82.3 | 92 | 180 | -177.5 | 9.1 | 0 | 0 | 0 | 111.5 | A293 S297 | A293-D295 PolarHBondContact O-N 2.89Å; D295-S297 VanDerWaalsContact C-N 3.31Å; D295-S297 WeakPolarHBondContact OD1-CB 3.38Å; D295-S297 PolarHBondContact OD1-N 3.28Å; D295-S297 PolarHBondContact OD1-OG 3.38Å | ||
| 296 | A | 75.3 | Confident | 66.3 | Low | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 39% | 0.387 | C | S | . | . | trans | -85.8 | 0.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F257 L261 L284 I294 N298 I299 L300 | F257-A296 HydrophobicContact CE1-CB 4.23Å; L261-A296 HydrophobicContact CD1-CB 3.68Å; L284-A296 HydrophobicContact CB-CB 4.36Å; L284-A296 HydrophobicContact CD2-CB 3.78Å; L284-A296 CarbonylContact O-C 3.58Å; L284-A296 WeakPolarHBondContact O-CA 3.26Å; L284-A296 WeakPolarHBondContact O-CB 3.42Å; L284-A296 PolarHBondContact O-N 3.02Å; L284-A296 VanDerWaalsContact O-N 3.08Å; I294-A296 PolarHBondContact O-N 2.9Å; I294-A296 VanDerWaalsContact O-N 3.16Å; A296-N298 PolarHBondContact O-N 3.19Å; A296-I299 PolarHBondContact O-N 3.02Å; A296-L300 PolarHBondContact O-N 3.26Å | ||
| 297 | S | 75.9 | Confident | 67.1 | Low | 6 Ų | 6 | 60 Ų | 60 | 4% | 0.042 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -60.8 | -34.4 | -173.5 | 76.1 | 0 | 0 | 0 | 0 | 112.4 | L284 D295 I299 L300 K301 | L284-S297 PolarHBondContact O-N 2.92Å; D295-S297 VanDerWaalsContact C-N 3.31Å; D295-S297 WeakPolarHBondContact OD1-CB 3.38Å; D295-S297 PolarHBondContact OD1-N 3.28Å; D295-S297 PolarHBondContact OD1-OG 3.38Å; S297-I299 VanDerWaalsContact C-N 3.26Å; S297-I299 PolarHBondContact O-N 3.43Å; S297-L300 PolarHBondContact O-N 3.31Å; S297-K301 WeakPolarHBondContact O-CB 3.34Å; S297-K301 WeakPolarHBondContact O-CD 3.42Å; S297-K301 WeakPolarHBondContact O-CG 3.47Å; S297-K301 PolarHBondContact O-N 2.97Å; S297-K301 PolarHBondContact OG-NZ 2.75Å |
| 298 | N | 77.5 | Confident | 68.6 | Low | 103 Ų | 103 | 60.7 Ų | 60.7 | 55% | 0.551 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -66 | -26.1 | 179.4 | -68.9 | -39.2 | 0 | 0 | 0 | 113.5 | A296 P302 | A296-N298 PolarHBondContact O-N 3.19Å; N298-P302 WeakPolarHBondContact O-CD 3.46Å |
| 299 | I | 81.2 | Confident | 70.7 | Confident | 41 Ų | 41 | 56.4 Ų | 56.4 | 21% | 0.21 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -83.6 | -38.2 | 177.8 | -60.3 | 174.4 | 0 | 0 | 0 | 110.3 | E258 L261 M265 A296 S297 P302 | E258-I299 HydrophobicContact CB-CD1 3.83Å; E258-I299 HydrophobicContact CG-CD1 3.89Å; L261-I299 HydrophobicContact CB-CD1 4.39Å; M265-I299 HydrophobicContact CG-CG2 4.16Å; A296-I299 PolarHBondContact O-N 3.02Å; S297-I299 VanDerWaalsContact C-N 3.26Å; S297-I299 PolarHBondContact O-N 3.43Å; I299-P302 WeakPolarHBondContact O-CD 3.37Å |
| 300 | L | 82.4 | Confident | 72.9 | Confident | 15 Ų | 15 | 53.6 Ų | 53.6 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -77.8 | -39.2 | -176.3 | -65.2 | 171.9 | 0 | 0 | 0 | 112.9 | M265 L284 A296 S297 A303 L304 L309 | M265-L300 HydrophobicContact CE-CD2 4.43Å; M265-L300 HydrophobicContact SD-CD2 3.96Å; L284-L300 HydrophobicContact CB-CD1 3.94Å; L284-L300 HydrophobicContact CD1-CD1 3.99Å; L284-L300 HydrophobicContact CG-CD1 4.48Å; A296-L300 PolarHBondContact O-N 3.26Å; S297-L300 PolarHBondContact O-N 3.31Å; L300-A303 PolarHBondContact O-N 2.9Å; L300-A303 VanDerWaalsContact O-N 3.12Å; L300-L304 HydrophobicContact CB-CD1 4.27Å; L300-L304 WeakPolarHBondContact O-CB 3.24Å; L300-L304 WeakPolarHBondContact O-CG 3.19Å; L300-L304 PolarHBondContact O-N 3.03Å; L300-L309 HydrophobicContact CD2-CD2 3.82Å |
| 301 | K | 83 | Confident | 75.4 | Confident | 55 Ų | 55 | 50 Ų | 50 | 24% | 0.239 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -52.5 | -48.2 | -176.8 | -80.8 | 166 | -179.7 | 166.8 | 0 | 113 | S297 A305 D327 A329 L330 | S297-K301 WeakPolarHBondContact O-CB 3.34Å; S297-K301 WeakPolarHBondContact O-CD 3.42Å; S297-K301 WeakPolarHBondContact O-CG 3.47Å; S297-K301 PolarHBondContact O-N 2.97Å; S297-K301 PolarHBondContact OG-NZ 2.75Å; K301-A305 WeakPolarHBondContact O-CB 3.42Å; K301-A305 PolarHBondContact O-N 3.31Å; K301-D327 WeakPolarHBondContact CE-OD2 3.29Å; K301-D327 IonicContact NZ-OD2 3.41Å; K301-D327 PolarHBondContact NZ-OD2 2.91Å; K301-A329 HydrophobicContact CD-CB 4.38Å; K301-A329 HydrophobicContact CG-CB 4.32Å; K301-L330 HydrophobicContact CG-CD2 3.91Å |
| 302 | P | 83.8 | Confident | 77.9 | Confident | 54 Ų | 54 | 39.5 Ų | 39.5 | 35% | 0.351 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.1 | -40.6 | 177.6 | -22.8 | 33.7 | 0 | 0 | 0 | 113.7 | N298 I299 A305 R306 | N298-P302 WeakPolarHBondContact O-CD 3.46Å; I299-P302 WeakPolarHBondContact O-CD 3.37Å; P302-A305 WeakPolarHBondContact O-CB 3.26Å; P302-A305 PolarHBondContact O-N 2.87Å; P302-R306 VanDerWaalsContact CB-NH1 3.31Å; P302-R306 WeakPolarHBondContact O-CG 3.42Å; P302-R306 PolarHBondContact O-N 2.81Å; P302-R306 VanDerWaalsContact O-N 3.08Å; P302-R306 PolarHBondContact O-NH1 3.06Å |
| 303 | A | 83.5 | Confident | 79.8 | Confident | 5 Ų | 5 | 36.4 Ų | 36.4 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -70.9 | -41 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | M265 L300 A305 R306 G307 E308 L309 | M265-A303 HydrophobicContact CE-CB 3.16Å; L300-A303 PolarHBondContact O-N 2.9Å; L300-A303 VanDerWaalsContact O-N 3.12Å; A303-A305 VanDerWaalsContact C-N 3.31Å; A303-R306 PolarHBondContact O-N 3.13Å; A303-G307 PolarHBondContact O-N 3.04Å; A303-G307 VanDerWaalsContact O-N 3.17Å; A303-E308 PolarHBondContact O-N 2.92Å; A303-E308 VanDerWaalsContact O-N 3.1Å; A303-L309 HydrophobicContact CB-CB 3.97Å; A303-L309 PolarHBondContact O-N 2.79Å |
| 304 | L | 84.4 | Confident | 81.7 | Confident | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.026 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.4 | -37 | 170.2 | -68.3 | 171 | 0 | 0 | 0 | 111.4 | L300 R306 G307 L309 L330 R333 F334 | L300-L304 HydrophobicContact CB-CD1 4.27Å; L300-L304 WeakPolarHBondContact O-CB 3.24Å; L300-L304 WeakPolarHBondContact O-CG 3.19Å; L300-L304 PolarHBondContact O-N 3.03Å; L304-R306 VanDerWaalsContact C-N 3.34Å; L304-R306 PolarHBondContact O-N 2.98Å; L304-G307 PolarHBondContact O-N 3.37Å; L304-L309 HydrophobicContact CD2-CB 4.29Å; L304-L309 HydrophobicContact CD2-CD2 3.86Å; L304-L309 HydrophobicContact CD2-CG 4.23Å; L304-L309 HydrophobicContact CG-CD2 4.13Å; L304-L330 HydrophobicContact CD1-CD2 3.9Å; L304-R333 HydrophobicContact CB-CB 4.33Å; L304-R333 HydrophobicContact CB-CG 4.15Å; L304-R333 VanDerWaalsContact O-CD 3.23Å; L304-R333 WeakPolarHBondContact O-CD 2.93Å; L304-R333 PolarHBondContact O-NE 3.41Å; L304-R333 VanDerWaalsContact O-NE 3.14Å; L304-F334 HydrophobicContact CD1-CE2 4Å; L304-F334 HydrophobicContact CD1-CZ 3.93Å; L304-F334 HydrophobicContact CD2-CZ 4.45Å |
| 305 | A | 78.4 | Confident | 83.2 | Confident | 51 Ų | 51 | 31.5 Ų | 31.5 | 42% | 0.421 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63.1 | -40.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | K301 P302 A303 R333 | K301-A305 WeakPolarHBondContact O-CB 3.42Å; K301-A305 PolarHBondContact O-N 3.31Å; P302-A305 WeakPolarHBondContact O-CB 3.26Å; P302-A305 PolarHBondContact O-N 2.87Å; A303-A305 VanDerWaalsContact C-N 3.31Å; A305-R333 PolarHBondContact O-NH2 3.39Å |
| 306 | R | 76.5 | Confident | 84.2 | Confident | 147 Ų | 147 | 30 Ų | 30 | 56% | 0.555 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -82.1 | -11.7 | 179.1 | -67.5 | -172.1 | -61 | -89.6 | -4.5 | 113.9 | P302 A303 L304 E308 | P302-R306 VanDerWaalsContact CB-NH1 3.31Å; P302-R306 WeakPolarHBondContact O-CG 3.42Å; P302-R306 PolarHBondContact O-N 2.81Å; P302-R306 VanDerWaalsContact O-N 3.08Å; P302-R306 PolarHBondContact O-NH1 3.06Å; A303-R306 PolarHBondContact O-N 3.13Å; L304-R306 VanDerWaalsContact C-N 3.34Å; L304-R306 PolarHBondContact O-N 2.98Å; R306-E308 HydrophobicContact CB-CG 3.87Å; R306-E308 WeakPolarHBondContact CD-OE1 3.27Å; R306-E308 IonicContact CZ-OE2 3.62Å; R306-E308 VanDerWaalsContact CZ-OE2 3.23Å; R306-E308 IonicContact NE-OE1 3.61Å; R306-E308 PolarHBondContact NE-OE1 3.14Å; R306-E308 IonicContact NE-OE2 3.73Å; R306-E308 PolarHBondContact NE-OE2 2.84Å; R306-E308 IonicContact NH2-OE2 2.94Å; R306-E308 PolarHBondContact NH2-OE2 3.29Å; R306-E308 PolarHBondContact O-N 2.86Å |
| 307 | G | 76.5 | Confident | 84.7 | Confident | 42 Ų | 42 | 32.2 Ų | 32.2 | 43% | 0.433 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 18.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A303 L304 | A303-G307 PolarHBondContact O-N 3.04Å; A303-G307 VanDerWaalsContact O-N 3.17Å; L304-G307 PolarHBondContact O-N 3.37Å |
| 308 | E | 81 | Confident | 85 | Confident | 65 Ų | 65 | 35.7 Ų | 35.7 | 30% | 0.304 | 20% | 0.195 | S | C | . | . | trans | -79.4 | -28.3 | 177.4 | -69.6 | 167.2 | 179.3 | 0 | 0 | 111.6 | Q269 A303 R306 | Q269-E308 HydrophobicContact CG-CB 4.4Å; Q269-E308 HydrophobicContact CG-CG 4.33Å; Q269-E308 PolarHBondContact NE2-OE1 3.38Å; Q269-E308 PolarHBondContact NE2-OE2 3.49Å; A303-E308 PolarHBondContact O-N 2.92Å; A303-E308 VanDerWaalsContact O-N 3.1Å; R306-E308 HydrophobicContact CB-CG 3.87Å; R306-E308 WeakPolarHBondContact CD-OE1 3.27Å; R306-E308 IonicContact CZ-OE2 3.62Å; R306-E308 VanDerWaalsContact CZ-OE2 3.23Å; R306-E308 IonicContact NE-OE1 3.61Å; R306-E308 PolarHBondContact NE-OE1 3.14Å; R306-E308 IonicContact NE-OE2 3.73Å; R306-E308 PolarHBondContact NE-OE2 2.84Å; R306-E308 IonicContact NH2-OE2 2.94Å; R306-E308 PolarHBondContact NH2-OE2 3.29Å; R306-E308 PolarHBondContact O-N 2.86Å | ||
| 309 | L | 85.5 | Confident | 85.3 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | trans | -99.6 | 122 | 173 | -178.7 | 66.9 | 0 | 0 | 0 | 109.6 | N203 M265 I268 L276 L300 A303 L304 C311 | N203-L309 PolarHBondContact OD1-O 3.49Å; M265-L309 HydrophobicContact CE-CB 3.92Å; M265-L309 HydrophobicContact CE-CD1 4Å; M265-L309 HydrophobicContact CE-CD2 3.86Å; M265-L309 HydrophobicContact CE-CG 4.13Å; M265-L309 HydrophobicContact SD-CD1 4.15Å; M265-L309 HydrophobicContact SD-CD2 4.24Å; I268-L309 HydrophobicContact CD1-CD1 4.05Å; I268-L309 HydrophobicContact CG2-CD1 4.02Å; L276-L309 HydrophobicContact CB-CD1 4.3Å; L276-L309 HydrophobicContact CD2-CD1 4.11Å; L300-L309 HydrophobicContact CD2-CD2 3.82Å; A303-L309 HydrophobicContact CB-CB 3.97Å; A303-L309 PolarHBondContact O-N 2.79Å; L304-L309 HydrophobicContact CD2-CB 4.29Å; L304-L309 HydrophobicContact CD2-CD2 3.86Å; L304-L309 HydrophobicContact CD2-CG 4.23Å; L304-L309 HydrophobicContact CG-CD2 4.13Å; L309-C311 HydrophobicContact CD2-CB 4.44Å; L309-C311 HydrophobicContact CG-CB 4.32Å | ||
| 310 | Q | 89.2 | Confident | 85.6 | Confident | 17 Ų | 17 | 32.3 Ų | 32.3 | 8% | 0.079 | 17% | 0.174 | C | C | . | . | trans | -106.8 | 119.8 | 165.3 | -178.3 | 160.3 | 51.1 | 0 | 0 | 108.9 | L196 N203 I275 L276 | L196-Q310 HydrophobicContact CD2-CG 3.58Å; L196-Q310 PolarHBondContact O-NE2 3.03Å; N203-Q310 WeakPolarHBondContact OD1-CA 3.49Å; I275-Q310 HydrophobicContact CG1-CG 4.3Å; L276-Q310 PolarHBondContact N-O 3.31Å | ||
| 311 | C | 92.1 | Very high | 85.7 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.007 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 155.1 | -177.5 | 64.6 | 0 | 0 | 0 | 0 | 113.1 | N203 P204 L276 I278 L309 | N203-C311 WeakPolarHBondContact CA-O 3.37Å; N203-C311 WeakPolarHBondContact CB-O 3.22Å; N203-C311 PolarHBondContact OD1-N 3.39Å; N203-C311 PolarHBondContact OD1-SG 3.2Å; P204-C311 WeakPolarHBondContact CD-O 3.35Å; L276-C311 HydrophobicContact CB-CB 4.11Å; L276-C311 CarbonylContact O-C 3.51Å; L276-C311 WeakPolarHBondContact O-CA 3.31Å; L276-C311 VanDerWaalsContact O-CB 3.31Å; L276-C311 WeakPolarHBondContact O-CB 3.44Å; I278-C311 HydrophobicContact CD1-CB 4.41Å; L309-C311 HydrophobicContact CD2-CB 4.44Å; L309-C311 HydrophobicContact CG-CB 4.32Å |
| 312 | I | 94.5 | Very high | 85.5 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 118.9 | 170.6 | -54.6 | 173.4 | 0 | 0 | 0 | 105.9 | V192 L196 P204 L206 L221 I275 L276 F277 I278 | V192-I312 HydrophobicContact CG1-CD1 4.01Å; L196-I312 HydrophobicContact CD1-CD1 4.13Å; L196-I312 HydrophobicContact CD1-CG1 4.4Å; L196-I312 HydrophobicContact CD2-CG1 4.2Å; P204-I312 HydrophobicContact CG-CB 4.37Å; P204-I312 HydrophobicContact CG-CG1 3.91Å; P204-I312 HydrophobicContact CG-CG2 4.27Å; P204-I312 WeakPolarHBondContact O-CA 3.3Å; L206-I312 HydrophobicContact CD1-CG2 4.11Å; L206-I312 HydrophobicContact CG-CG2 4.24Å; L221-I312 HydrophobicContact CD2-CD1 3.4Å; L221-I312 VanDerWaalsContact CD2-CD1 3.4Å; I275-I312 HydrophobicContact CG2-CD1 3.83Å; I275-I312 HydrophobicContact CG2-CG1 3.9Å; L276-I312 PolarHBondContact O-N 3.34Å; F277-I312 WeakPolarHBondContact CA-O 3.47Å; F277-I312 HydrophobicContact CD2-CB 4.03Å; F277-I312 HydrophobicContact CD2-CG2 3.92Å; F277-I312 HydrophobicContact CE2-CG2 4.28Å; I278-I312 PolarHBondContact N-O 3.32Å |
| 313 | G | 93.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 143.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | P204 V205 L206 I278 | P204-G313 PolarHBondContact O-N 2.92Å; V205-G313 CarbonylContact C-O 3.59Å; V205-G313 VanDerWaalsContact CA-O 3.31Å; V205-G313 WeakPolarHBondContact CA-O 3.37Å; L206-G313 PolarHBondContact N-O 3.49Å; I278-G313 WeakPolarHBondContact O-CA 3.28Å |
| 314 | A | 94.1 | Very high | 85.2 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 137 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | K214 F277 I278 E280 L281 | K214-A314 HydrophobicContact CB-CB 4.04Å; K214-A314 HydrophobicContact CD-CB 3.94Å; F277-A314 HydrophobicContact CE2-CB 4.24Å; F277-A314 HydrophobicContact CZ-CB 4.17Å; I278-A314 PolarHBondContact O-N 2.96Å; E280-A314 CarbonylContact C-O 3.51Å; E280-A314 WeakPolarHBondContact CA-O 3.1Å; E280-A314 PolarHBondContact N-O 3.16Å; L281-A314 PolarHBondContact N-O 3.43Å |
| 315 | T | 91.4 | Very high | 85.1 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.012 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 162.8 | -179.1 | -167.7 | 0 | 0 | 0 | 0 | 110.9 | V205 L206 I207 G208 K214 E319 Y320 I324 | V205-T315 HydrophobicContact CG1-CG2 3.54Å; L206-T315 PolarHBondContact O-N 2.88Å; I207-T315 HydrophobicContact CG1-CG2 4.28Å; G208-T315 PolarHBondContact N-O 3.4Å; K214-T315 VanDerWaalsContact NZ-C 3.3Å; K214-T315 PolarHBondContact NZ-O 3.39Å; T315-E319 VanDerWaalsContact OG1-CB 3.23Å; T315-E319 WeakPolarHBondContact OG1-CB 3.48Å; T315-E319 PolarHBondContact OG1-OE2 2.85Å; T315-E319 VanDerWaalsContact OG1-OE2 3.14Å; T315-Y320 HydrophobicContact CG2-CD2 4.02Å; T315-Y320 HydrophobicContact CG2-CG 4.41Å; T315-I324 HydrophobicContact CG2-CD1 4.27Å |
| 316 | T | 89.5 | Confident | 85.2 | Confident | 19 Ų | 19 | 50.5 Ų | 50.5 | 12% | 0.117 | 24% | 0.236 | C | C | . | . | trans | -81.5 | 162.7 | 167.2 | 67.8 | 0 | 0 | 0 | 0 | 111.7 | G208 P210 D318 E319 Y320 | G208-T316 WeakPolarHBondContact O-CA 3.5Å; P210-T316 HydrophobicContact CG-CG2 3.96Å; T316-D318 VanDerWaalsContact C-N 3.29Å; T316-D318 PolarHBondContact O-N 2.81Å; T316-E319 PolarHBondContact N-OE2 3.32Å; T316-E319 PolarHBondContact O-N 2.88Å; T316-E319 WeakPolarHBondContact OG1-CB 3.35Å; T316-E319 VanDerWaalsContact OG1-CG 3.25Å; T316-E319 WeakPolarHBondContact OG1-CG 3.42Å; T316-E319 PolarHBondContact OG1-N 3.21Å; T316-E319 PolarHBondContact OG1-OE1 3.14Å; T316-E319 PolarHBondContact OG1-OE2 3.41Å; T316-Y320 WeakPolarHBondContact O-CB 3.36Å; T316-Y320 PolarHBondContact O-N 3.37Å | ||
| 317 | L | 85.9 | Confident | 85.5 | Confident | 47 Ų | 47 | 45.1 Ų | 45.1 | 25% | 0.246 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.5 | -40.4 | 178.6 | -177 | 152.2 | 0 | 0 | 0 | 111.7 | I207 Y320 R321 | I207-L317 HydrophobicContact CG2-CB 3.95Å; I207-L317 HydrophobicContact CG2-CG 4.47Å; L317-Y320 PolarHBondContact O-N 3.18Å; L317-R321 WeakPolarHBondContact O-CG 3.44Å; L317-R321 PolarHBondContact O-N 2.8Å; L317-R321 VanDerWaalsContact O-N 3.1Å |
| 318 | D | 81.8 | Confident | 85.8 | Confident | 79 Ų | 79 | 45.3 Ų | 45.3 | 42% | 0.422 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.2 | -45.1 | 178.8 | -78 | -14.4 | 0 | 0 | 0 | 112.6 | T316 R321 K322 | T316-D318 VanDerWaalsContact C-N 3.29Å; T316-D318 PolarHBondContact O-N 2.81Å; D318-R321 PolarHBondContact O-N 3.02Å; D318-K322 WeakPolarHBondContact O-CB 3.31Å; D318-K322 VanDerWaalsContact O-CG 3.25Å; D318-K322 WeakPolarHBondContact O-CG 3.3Å; D318-K322 PolarHBondContact O-N 3.38Å |
| 319 | E | 84.5 | Confident | 85.7 | Confident | 50 Ų | 50 | 44.2 Ų | 44.2 | 23% | 0.234 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.4 | -39.5 | 177.9 | -73.7 | 154.3 | -166.7 | 0 | 0 | 112 | H282 T315 T316 K322 N323 | H282-E319 HydrophobicContact CB-CB 3.91Å; H282-E319 HydrophobicContact CB-CG 4.26Å; H282-E319 IonicContact CE1-OE1 3.95Å; H282-E319 PolarHBondContact CE1-OE1 3.09Å; H282-E319 VanDerWaalsContact CE1-OE1 3.3Å; H282-E319 IonicContact CE1-OE2 3.94Å; H282-E319 PolarHBondContact CE1-OE2 3.16Å; H282-E319 IonicContact CG-OE2 2.82Å; H282-E319 IonicContact ND1-OE1 2.81Å; H282-E319 IonicContact ND1-OE2 3.73Å; H282-E319 PolarHBondContact ND1-OE2 3.4Å; H282-E319 IonicContact NE2-OE1 2.96Å; H282-E319 IonicContact NE2-OE2 3.82Å; T315-E319 VanDerWaalsContact OG1-CB 3.23Å; T315-E319 WeakPolarHBondContact OG1-CB 3.48Å; T315-E319 PolarHBondContact OG1-OE2 2.85Å; T315-E319 VanDerWaalsContact OG1-OE2 3.14Å; T316-E319 PolarHBondContact N-OE2 3.32Å; T316-E319 PolarHBondContact O-N 2.88Å; T316-E319 WeakPolarHBondContact OG1-CB 3.35Å; T316-E319 VanDerWaalsContact OG1-CG 3.25Å; T316-E319 WeakPolarHBondContact OG1-CG 3.42Å; T316-E319 PolarHBondContact OG1-N 3.21Å; T316-E319 PolarHBondContact OG1-OE1 3.14Å; T316-E319 PolarHBondContact OG1-OE2 3.41Å; E319-K322 PolarHBondContact O-N 2.92Å; E319-N323 WeakPolarHBondContact O-CB 3.35Å; E319-N323 PolarHBondContact O-N 2.98Å |
| 320 | Y | 86.8 | Confident | 85.7 | Confident | 22 Ų | 22 | 44.4 Ų | 44.4 | 9% | 0.086 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -58.9 | -50.1 | 175.9 | -175.5 | -93.6 | 0 | 0 | 0 | 110.9 | V205 I207 T315 T316 L317 K322 I324 E325 | V205-Y320 HydrophobicContact CB-CE2 4.26Å; V205-Y320 HydrophobicContact CG1-CD2 3.89Å; V205-Y320 HydrophobicContact CG1-CE2 4.06Å; I207-Y320 HydrophobicContact CD1-CD1 3.71Å; I207-Y320 HydrophobicContact CD1-CD2 3.61Å; I207-Y320 HydrophobicContact CD1-CE1 3.92Å; I207-Y320 HydrophobicContact CD1-CE2 3.83Å; I207-Y320 HydrophobicContact CD1-CG 3.55Å; I207-Y320 HydrophobicContact CG1-CD2 4.04Å; I207-Y320 HydrophobicContact CG1-CG 4.18Å; T315-Y320 HydrophobicContact CG2-CD2 4.02Å; T315-Y320 HydrophobicContact CG2-CG 4.41Å; T316-Y320 WeakPolarHBondContact O-CB 3.36Å; T316-Y320 PolarHBondContact O-N 3.37Å; L317-Y320 PolarHBondContact O-N 3.18Å; Y320-K322 PolarHBondContact O-N 3.39Å; Y320-I324 HydrophobicContact CD2-CB 3.94Å; Y320-I324 HydrophobicContact CD2-CD1 3.79Å; Y320-I324 HydrophobicContact CD2-CG1 4.43Å; Y320-I324 HydrophobicContact CD2-CG2 4.04Å; Y320-I324 HydrophobicContact CE2-CB 4.1Å; Y320-I324 HydrophobicContact CE2-CD1 4.37Å; Y320-I324 HydrophobicContact CE2-CG2 3.69Å; Y320-I324 HydrophobicContact CG-CB 4.45Å; Y320-I324 WeakPolarHBondContact O-CA 2.99Å; Y320-I324 WeakPolarHBondContact O-CB 3.1Å; Y320-I324 PolarHBondContact O-N 3.43Å; Y320-E325 HydrophobicContact CD1-CB 4.4Å; Y320-E325 HydrophobicContact CE1-CB 4.2Å; Y320-E325 PolarHBondContact O-N 3.33Å |
| 321 | R | 83.7 | Confident | 85.4 | Confident | 146 Ų | 146 | 47.8 Ų | 47.8 | 55% | 0.551 | 23% | 0.234 | S | C | * | . | I | π-helix | trans | -62.4 | -41.7 | 177.7 | -74.6 | -178.2 | 173.7 | 168.3 | 2.1 | 112.6 | L317 D318 E325 | L317-R321 WeakPolarHBondContact O-CG 3.44Å; L317-R321 PolarHBondContact O-N 2.8Å; L317-R321 VanDerWaalsContact O-N 3.1Å; D318-R321 PolarHBondContact O-N 3.02Å; R321-E325 WeakPolarHBondContact CG-OE2 3.44Å |
| 322 | K | 80.2 | Confident | 84.9 | Confident | 124 Ų | 124 | 54.8 Ų | 54.8 | 54% | 0.539 | 26% | 0.261 | S | S | . | . | I | π-helix | trans | -72.4 | -42.8 | -175.7 | -75.7 | 173 | -174.4 | 171.3 | 0 | 112.6 | D318 E319 Y320 K326 | D318-K322 WeakPolarHBondContact O-CB 3.31Å; D318-K322 VanDerWaalsContact O-CG 3.25Å; D318-K322 WeakPolarHBondContact O-CG 3.3Å; D318-K322 PolarHBondContact O-N 3.38Å; E319-K322 PolarHBondContact O-N 2.92Å; Y320-K322 PolarHBondContact O-N 3.39Å; K322-K326 WeakPolarHBondContact O-CD 3.48Å |
| 323 | N | 79.1 | Confident | 84.5 | Confident | 30 Ų | 30 | 58.2 Ų | 58.2 | 16% | 0.16 | 27% | 0.274 | C | S | . | . | I | π-helix | trans | -114 | -32 | -164.3 | -58.8 | -32.2 | 0 | 0 | 0 | 113.7 | H282 V285 E319 | H282-N323 HydrophobicContact CB-CB 4.48Å; V285-N323 HydrophobicContact CG1-CB 4.42Å; V285-N323 WeakPolarHBondContact CG1-O 3.49Å; E319-N323 WeakPolarHBondContact O-CB 3.35Å; E319-N323 PolarHBondContact O-N 2.98Å |
| 324 | I | 81.7 | Confident | 84.4 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | I | π-helix | trans | -100.1 | -48 | -173.1 | -59 | 172.7 | 0 | 0 | 0 | 111.1 | V205 L281 T315 Y320 K326 D327 L330 F334 | V205-I324 HydrophobicContact CG1-CD1 4.5Å; L281-I324 HydrophobicContact CD2-CD1 3.74Å; L281-I324 HydrophobicContact CG-CD1 4.26Å; T315-I324 HydrophobicContact CG2-CD1 4.27Å; Y320-I324 HydrophobicContact CD2-CB 3.94Å; Y320-I324 HydrophobicContact CD2-CD1 3.79Å; Y320-I324 HydrophobicContact CD2-CG1 4.43Å; Y320-I324 HydrophobicContact CD2-CG2 4.04Å; Y320-I324 HydrophobicContact CE2-CB 4.1Å; Y320-I324 HydrophobicContact CE2-CD1 4.37Å; Y320-I324 HydrophobicContact CE2-CG2 3.69Å; Y320-I324 HydrophobicContact CG-CB 4.45Å; Y320-I324 WeakPolarHBondContact O-CA 2.99Å; Y320-I324 WeakPolarHBondContact O-CB 3.1Å; Y320-I324 PolarHBondContact O-N 3.43Å; I324-K326 VanDerWaalsContact C-N 3.29Å; I324-K326 PolarHBondContact O-N 2.99Å; I324-D327 PolarHBondContact O-N 3.32Å; I324-D327 VanDerWaalsContact O-N 3.13Å; I324-L330 HydrophobicContact CG2-CB 4.38Å; I324-F334 HydrophobicContact CG2-CD2 4.25Å |
| 325 | E | 82 | Confident | 84.3 | Confident | 99 Ų | 99 | 60.2 Ų | 60.2 | 46% | 0.463 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -31.2 | -176.8 | -169.8 | 175.4 | 176.9 | 0 | 0 | 112.6 | Y320 R321 D327 | Y320-E325 HydrophobicContact CD1-CB 4.4Å; Y320-E325 HydrophobicContact CE1-CB 4.2Å; Y320-E325 PolarHBondContact O-N 3.33Å; R321-E325 WeakPolarHBondContact CG-OE2 3.44Å; E325-D327 VanDerWaalsContact C-N 3.27Å; E325-D327 PolarHBondContact O-N 2.87Å |
| 326 | K | 81 | Confident | 84.3 | Confident | 168 Ų | 168 | 62.7 Ų | 62.7 | 73% | 0.73 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -20.9 | 175.8 | -65.6 | -171.9 | -171.5 | 170.6 | 0 | 113.5 | K322 I324 | K322-K326 WeakPolarHBondContact O-CD 3.48Å; I324-K326 VanDerWaalsContact C-N 3.29Å; I324-K326 PolarHBondContact O-N 2.99Å |
| 327 | D | 82.5 | Confident | 84.5 | Confident | 35 Ų | 35 | 62.2 Ų | 62.2 | 19% | 0.187 | 30% | 0.296 | C | S | . | . | trans | -95.2 | 102.1 | -177.5 | -167.2 | -40 | 0 | 0 | 0 | 111.2 | K301 I324 E325 A329 L330 E331 | K301-D327 WeakPolarHBondContact CE-OD2 3.29Å; K301-D327 IonicContact NZ-OD2 3.41Å; K301-D327 PolarHBondContact NZ-OD2 2.91Å; I324-D327 PolarHBondContact O-N 3.32Å; I324-D327 VanDerWaalsContact O-N 3.13Å; E325-D327 VanDerWaalsContact C-N 3.27Å; E325-D327 PolarHBondContact O-N 2.87Å; D327-A329 PolarHBondContact O-N 3.38Å; D327-A329 VanDerWaalsContact OD1-CB 3.29Å; D327-A329 WeakPolarHBondContact OD1-CB 3.44Å; D327-A329 PolarHBondContact OD1-N 2.89Å; D327-L330 HydrophobicContact CB-CB 4.24Å; D327-L330 HydrophobicContact CB-CD1 4.11Å; D327-L330 HydrophobicContact CB-CG 4.15Å; D327-L330 PolarHBondContact O-N 3.37Å; D327-L330 PolarHBondContact OD1-N 3.38Å; D327-E331 PolarHBondContact O-N 2.99Å | ||
| 328 | A | 81.5 | Confident | 84.9 | Confident | 46 Ų | 46 | 64.7 Ų | 64.7 | 38% | 0.38 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -17.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | R332 | A328-R332 WeakPolarHBondContact O-CD 3.34Å; A328-R332 VanDerWaalsContact O-CG 3.27Å; A328-R332 WeakPolarHBondContact O-CG 3.26Å; A328-R332 PolarHBondContact O-NH1 3.46Å |
| 329 | A | 80.4 | Confident | 85.4 | Confident | 42 Ų | 42 | 61 Ų | 61 | 35% | 0.347 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -42.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | K301 D327 | K301-A329 HydrophobicContact CD-CB 4.38Å; K301-A329 HydrophobicContact CG-CB 4.32Å; D327-A329 PolarHBondContact O-N 3.38Å; D327-A329 VanDerWaalsContact OD1-CB 3.29Å; D327-A329 WeakPolarHBondContact OD1-CB 3.44Å; D327-A329 PolarHBondContact OD1-N 2.89Å |
| 330 | L | 83.7 | Confident | 85.7 | Confident | 4 Ų | 4 | 63.4 Ų | 63.4 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -41.2 | -178.6 | -60.5 | -178.2 | 0 | 0 | 0 | 111.8 | V285 K301 L304 I324 D327 R332 R333 F334 | V285-L330 HydrophobicContact CB-CD1 4.28Å; V285-L330 HydrophobicContact CG1-CD1 3.48Å; V285-L330 VanDerWaalsContact CG1-CD1 3.48Å; V285-L330 HydrophobicContact CG2-CD1 3.71Å; K301-L330 HydrophobicContact CG-CD2 3.91Å; L304-L330 HydrophobicContact CD1-CD2 3.9Å; I324-L330 HydrophobicContact CG2-CB 4.38Å; D327-L330 HydrophobicContact CB-CB 4.24Å; D327-L330 HydrophobicContact CB-CD1 4.11Å; D327-L330 HydrophobicContact CB-CG 4.15Å; D327-L330 PolarHBondContact O-N 3.37Å; D327-L330 PolarHBondContact OD1-N 3.38Å; L330-R332 PolarHBondContact O-N 3.29Å; L330-R332 VanDerWaalsContact O-N 3.14Å; L330-R333 PolarHBondContact O-N 3.26Å; L330-F334 HydrophobicContact CB-CD2 3.97Å; L330-F334 HydrophobicContact CB-CE2 4.15Å; L330-F334 HydrophobicContact CD2-CE2 4.07Å; L330-F334 WeakPolarHBondContact O-CD2 3.42Å; L330-F334 PolarHBondContact O-N 2.89Å |
| 331 | E | 83.4 | Confident | 85.9 | Confident | 89 Ų | 89 | 66 Ų | 66 | 42% | 0.416 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -32.1 | 176.8 | -165.7 | -150.9 | 165.3 | 0 | 0 | 112.5 | D327 R333 | D327-E331 PolarHBondContact O-N 2.99Å; E331-R333 VanDerWaalsContact C-N 3.26Å; E331-R333 PolarHBondContact O-N 2.97Å |
| 332 | R | 82.5 | Confident | 86.3 | Confident | 148 Ų | 148 | 59.8 Ų | 59.8 | 56% | 0.558 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -5.1 | 177 | -68.2 | -178.5 | -172.8 | 116.3 | -8.1 | 113.9 | K201 A328 L330 | K201-R332 WeakPolarHBondContact CG-O 3.43Å; A328-R332 WeakPolarHBondContact O-CD 3.34Å; A328-R332 VanDerWaalsContact O-CG 3.27Å; A328-R332 WeakPolarHBondContact O-CG 3.26Å; A328-R332 PolarHBondContact O-NH1 3.46Å; L330-R332 PolarHBondContact O-N 3.29Å; L330-R332 VanDerWaalsContact O-N 3.14Å |
| 333 | R | 85.8 | Confident | 86.8 | Confident | 73 Ų | 73 | 56.3 Ų | 56.3 | 28% | 0.275 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | -28.5 | -176.4 | -64.6 | -58.8 | -177.5 | -77.4 | -4.3 | 113.2 | K201 N203 L304 A305 L330 E331 | K201-R333 WeakPolarHBondContact CA-O 3.32Å; N203-R333 PolarHBondContact ND2-O 2.76Å; L304-R333 HydrophobicContact CB-CB 4.33Å; L304-R333 HydrophobicContact CB-CG 4.15Å; L304-R333 VanDerWaalsContact O-CD 3.23Å; L304-R333 WeakPolarHBondContact O-CD 2.93Å; L304-R333 PolarHBondContact O-NE 3.41Å; L304-R333 VanDerWaalsContact O-NE 3.14Å; A305-R333 PolarHBondContact O-NH2 3.39Å; L330-R333 PolarHBondContact O-N 3.26Å; E331-R333 VanDerWaalsContact C-N 3.26Å; E331-R333 PolarHBondContact O-N 2.97Å |
| 334 | F | 90.5 | Very high | 87.4 | Confident | 5 Ų | 5 | 57.5 Ų | 57.5 | 2% | 0.022 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 149 | 176.5 | -70.6 | -64.3 | 0 | 0 | 0 | 112.6 | N203 V205 L281 L304 I324 L330 | N203-F334 HydrophobicContact CB-CD1 3.46Å; N203-F334 VanDerWaalsContact CB-CD1 3.46Å; N203-F334 HydrophobicContact CB-CE1 3.62Å; N203-F334 HydrophobicContact CB-CG 4.46Å; N203-F334 CarbonylContact O-C 3.5Å; N203-F334 VanDerWaalsContact O-CA 3.24Å; N203-F334 WeakPolarHBondContact O-CA 3.39Å; V205-F334 HydrophobicContact CG2-CB 3.59Å; V205-F334 HydrophobicContact CG2-CD1 3.18Å; V205-F334 HydrophobicContact CG2-CD2 4.38Å; V205-F334 HydrophobicContact CG2-CE1 3.9Å; V205-F334 HydrophobicContact CG2-CG 3.47Å; V205-F334 VanDerWaalsContact CG2-CG 3.47Å; L281-F334 HydrophobicContact CD1-CZ 4.34Å; L281-F334 HydrophobicContact CD2-CD1 4.49Å; L281-F334 HydrophobicContact CD2-CE1 3.91Å; L281-F334 HydrophobicContact CD2-CE2 4.14Å; L281-F334 HydrophobicContact CD2-CZ 3.73Å; L304-F334 HydrophobicContact CD1-CE2 4Å; L304-F334 HydrophobicContact CD1-CZ 3.93Å; L304-F334 HydrophobicContact CD2-CZ 4.45Å; I324-F334 HydrophobicContact CG2-CD2 4.25Å; L330-F334 HydrophobicContact CB-CD2 3.97Å; L330-F334 HydrophobicContact CB-CE2 4.15Å; L330-F334 HydrophobicContact CD2-CE2 4.07Å; L330-F334 WeakPolarHBondContact O-CD2 3.42Å; L330-F334 PolarHBondContact O-N 2.89Å |
| 335 | Q | 91.6 | Very high | 87.9 | Confident | 37 Ų | 37 | 62.8 Ų | 62.8 | 17% | 0.173 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 118.2 | 170.9 | 174.6 | 63.8 | 64 | 0 | 0 | 108.2 | V195 N203 P204 V205 | V195-Q335 HydrophobicContact CG1-CB 3.76Å; V195-Q335 HydrophobicContact CG1-CG 4.18Å; V195-Q335 HydrophobicContact CG2-CB 4.26Å; V195-Q335 HydrophobicContact CG2-CG 3.73Å; N203-Q335 PolarHBondContact O-N 2.9Å; P204-Q335 WeakPolarHBondContact CA-O 3.41Å; V205-Q335 PolarHBondContact N-O 2.93Å |
| 336 | P | 92.8 | Very high | 88.4 | Confident | 54 Ų | 54 | 61.4 Ų | 61.4 | 35% | 0.351 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 137.2 | 176.5 | 27.1 | -35.6 | 0 | 0 | 0 | 110.9 | I207 | I207-P336 HydrophobicContact CD1-CB 3.46Å; I207-P336 VanDerWaalsContact CD1-CB 3.46Å; I207-P336 HydrophobicContact CG1-CB 4.45Å |
| 337 | V | 93.7 | Very high | 88.9 | Confident | 8 Ų | 8 | 53.4 Ų | 53.4 | 5% | 0.048 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 112.9 | 171.6 | -179.7 | 0 | 0 | 0 | 0 | 106.7 | R191 V195 P204 V205 L206 I207 | R191-V337 HydrophobicContact CB-CG1 4.36Å; R191-V337 HydrophobicContact CG-CG1 3.94Å; R191-V337 HydrophobicContact CG-CG2 3.98Å; V195-V337 HydrophobicContact CG2-CG2 4.46Å; P204-V337 HydrophobicContact CB-CG2 4.09Å; V205-V337 PolarHBondContact O-N 2.87Å; L206-V337 HydrophobicContact CD2-CB 4.21Å; L206-V337 HydrophobicContact CD2-CG1 4.18Å; I207-V337 PolarHBondContact N-O 3.32Å |
| 338 | Q | 93 | Very high | 89.5 | Confident | 100 Ų | 100 | 53 Ų | 53 | 47% | 0.467 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 131.6 | 178.9 | -171 | 66.7 | 23.6 | 0 | 0 | 109.5 | D340 | Q338-D340 WeakPolarHBondContact CG-OD1 3.42Å |
| 339 | V | 93.2 | Very high | 90.1 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.012 | 28% | 0.282 | C | S | . | . | trans | -118.9 | 103.9 | 176 | -175.9 | 0 | 0 | 0 | 0 | 107.4 | L206 I207 G208 V212 I217 | L206-V339 HydrophobicContact CB-CG2 4.01Å; L206-V339 HydrophobicContact CD2-CG2 3.94Å; I207-V339 PolarHBondContact O-N 3.22Å; G208-V339 WeakPolarHBondContact CA-O 3.48Å; V212-V339 HydrophobicContact CG2-CB 4.32Å; V212-V339 HydrophobicContact CG2-CG1 3.68Å; I217-V339 HydrophobicContact CD1-CB 4.4Å; I217-V339 HydrophobicContact CD1-CG1 3.79Å; I217-V339 HydrophobicContact CD1-CG2 3.63Å | ||
| 340 | D | 90.9 | Very high | 90.7 | Very high | 100 Ų | 100 | 51.8 Ų | 51.8 | 54% | 0.535 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -83.2 | 158.6 | -179.8 | -60.3 | -39.1 | 0 | 0 | 0 | 110.9 | R185 Q338 | R185-D340 PolarHBondContact NH1-O 3.38Å; R185-D340 PolarHBondContact NH2-O 3.13Å; Q338-D340 WeakPolarHBondContact CG-OD1 3.42Å |
| 341 | E | 90.8 | Very high | 91.1 | Very high | 77 Ų | 77 | 51.9 Ų | 51.9 | 36% | 0.36 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 131.6 | 168.2 | -174 | 176.8 | -169.1 | 0 | 0 | 109.3 | V212 F386 L387 | V212-E341 HydrophobicContact CG1-CB 4.47Å; E341-F386 HydrophobicContact CG-CB 4.35Å; E341-L387 HydrophobicContact CG-CB 3.86Å; E341-L387 WeakPolarHBondContact OE1-CB 3.42Å; E341-L387 WeakPolarHBondContact OE1-CG 3.41Å; E341-L387 PolarHBondContact OE1-N 3.17Å |
| 342 | P | 91.5 | Very high | 91.6 | Very high | 14 Ų | 14 | 51.3 Ų | 51.3 | 9% | 0.091 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 153.5 | 178.4 | 30.3 | -34.7 | 0 | 0 | 0 | 110.9 | D346 I350 L387 P388 | P342-D346 HydrophobicContact CB-CB 4.26Å; P342-I350 HydrophobicContact CB-CD1 4.38Å; P342-L387 WeakPolarHBondContact CD-O 3.39Å; P342-L387 HydrophobicContact CG-CB 3.98Å; P342-P388 HydrophobicContact CG-CB 4.33Å; P342-P388 HydrophobicContact CG-CG 4.36Å |
| 343 | S | 90.9 | Very high | 92 | Very high | 52 Ų | 52 | 45.5 Ų | 45.5 | 36% | 0.364 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 160.7 | 175.5 | 78.8 | 0 | 0 | 0 | 0 | 111.3 | V345 D346 T347 | S343-V345 PolarHBondContact O-N 2.63Å; S343-V345 PolarHBondContact OG-N 2.85Å; S343-D346 WeakPolarHBondContact CB-OD2 3.45Å; S343-D346 PolarHBondContact N-OD2 3.34Å; S343-D346 PolarHBondContact O-N 3.39Å; S343-D346 PolarHBondContact OG-N 3.39Å; S343-D346 VanDerWaalsContact OG-N 3.13Å; S343-D346 PolarHBondContact OG-OD2 3.47Å; S343-T347 WeakPolarHBondContact O-CB 3.25Å; S343-T347 PolarHBondContact O-N 2.68Å; S343-T347 PolarHBondContact O-OG1 3.23Å |
| 344 | V | 91.7 | Very high | 92.3 | Very high | 54 Ų | 54 | 42.6 Ų | 42.6 | 33% | 0.327 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -54.3 | -39.1 | 173.8 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | V348 V375 L387 | V344-V348 WeakPolarHBondContact O-CG2 3.48Å; V344-V348 PolarHBondContact O-N 3.49Å; V344-V348 VanDerWaalsContact O-N 3.16Å; V344-V375 HydrophobicContact CB-CG1 4.25Å; V344-V375 HydrophobicContact CG1-CG1 3.74Å; V344-V375 HydrophobicContact CG2-CG1 4.49Å; V344-L387 HydrophobicContact CG2-CD1 4.43Å |
| 345 | V | 93 | Very high | 92.3 | Very high | 111 Ų | 111 | 46.1 Ų | 46.1 | 67% | 0.673 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -69.3 | -45.2 | -179.6 | -178 | 0 | 0 | 0 | 0 | 111 | S343 T347 V348 A349 | S343-V345 PolarHBondContact O-N 2.63Å; S343-V345 PolarHBondContact OG-N 2.85Å; V345-T347 VanDerWaalsContact C-N 3.29Å; V345-T347 PolarHBondContact O-N 3.02Å; V345-V348 PolarHBondContact O-N 3.2Å; V345-A349 PolarHBondContact O-N 3.35Å |
| 346 | D | 91.4 | Very high | 92.2 | Very high | 70 Ų | 70 | 49.2 Ų | 49.2 | 37% | 0.374 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.8 | -37.1 | 178.4 | -57.9 | -39.5 | 0 | 0 | 0 | 111 | P342 S343 V348 A349 I350 | P342-D346 HydrophobicContact CB-CB 4.26Å; S343-D346 WeakPolarHBondContact CB-OD2 3.45Å; S343-D346 PolarHBondContact N-OD2 3.34Å; S343-D346 PolarHBondContact O-N 3.39Å; S343-D346 PolarHBondContact OG-N 3.39Å; S343-D346 VanDerWaalsContact OG-N 3.13Å; S343-D346 PolarHBondContact OG-OD2 3.47Å; D346-V348 PolarHBondContact O-N 2.84Å; D346-A349 WeakPolarHBondContact O-CB 3.39Å; D346-A349 PolarHBondContact O-N 3.47Å; D346-A349 VanDerWaalsContact O-N 3.13Å; D346-I350 VanDerWaalsContact O-CG1 3.32Å; D346-I350 WeakPolarHBondContact O-CG1 3.41Å; D346-I350 PolarHBondContact O-N 2.93Å |
| 347 | T | 93.2 | Very high | 92 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.9 | -38.9 | 177.6 | -52.7 | 0 | 0 | 0 | 0 | 112.2 | S343 V345 A349 I350 L351 V375 L387 P388 A391 | S343-T347 WeakPolarHBondContact O-CB 3.25Å; S343-T347 PolarHBondContact O-N 2.68Å; S343-T347 PolarHBondContact O-OG1 3.23Å; V345-T347 VanDerWaalsContact C-N 3.29Å; V345-T347 PolarHBondContact O-N 3.02Å; T347-A349 VanDerWaalsContact C-N 3.29Å; T347-A349 PolarHBondContact O-N 3.42Å; T347-I350 PolarHBondContact O-N 2.99Å; T347-L351 WeakPolarHBondContact O-CG 3.31Å; T347-L351 PolarHBondContact O-N 3.45Å; T347-V375 HydrophobicContact CG2-CG1 4.02Å; T347-V375 HydrophobicContact CG2-CG2 3.79Å; T347-L387 HydrophobicContact CG2-CB 4.41Å; T347-L387 HydrophobicContact CG2-CD2 4.19Å; T347-P388 HydrophobicContact CG2-CB 3.84Å; T347-A391 HydrophobicContact CG2-CB 4.16Å |
| 348 | V | 95 | Very high | 91.8 | Very high | 26 Ų | 26 | 52.9 Ų | 52.9 | 16% | 0.158 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.3 | -40.8 | 172.8 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | V344 V345 D346 L351 K352 I371 V375 | V344-V348 WeakPolarHBondContact O-CG2 3.48Å; V344-V348 PolarHBondContact O-N 3.49Å; V344-V348 VanDerWaalsContact O-N 3.16Å; V345-V348 PolarHBondContact O-N 3.2Å; D346-V348 PolarHBondContact O-N 2.84Å; V348-L351 PolarHBondContact O-N 2.93Å; V348-K352 HydrophobicContact CG1-CD 4.34Å; V348-K352 WeakPolarHBondContact O-CG 3.35Å; V348-K352 PolarHBondContact O-N 3.21Å; V348-I371 HydrophobicContact CG1-CG2 4.2Å; V348-V375 HydrophobicContact CG2-CB 4.13Å; V348-V375 HydrophobicContact CG2-CG2 3.77Å |
| 349 | A | 93 | Very high | 91.6 | Very high | 42 Ų | 42 | 49.7 Ų | 49.7 | 35% | 0.347 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I183 V345 D346 T347 K352 G353 | I183-A349 WeakPolarHBondContact CD1-O 3.23Å; I183-A349 HydrophobicContact CG2-CB 4.04Å; V345-A349 PolarHBondContact O-N 3.35Å; D346-A349 WeakPolarHBondContact O-CB 3.39Å; D346-A349 PolarHBondContact O-N 3.47Å; D346-A349 VanDerWaalsContact O-N 3.13Å; T347-A349 VanDerWaalsContact C-N 3.29Å; T347-A349 PolarHBondContact O-N 3.42Å; A349-K352 PolarHBondContact O-N 3.41Å; A349-G353 PolarHBondContact O-N 3Å |
| 350 | I | 92.6 | Very high | 91.3 | Very high | 22 Ų | 22 | 53 Ų | 53 | 11% | 0.113 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.9 | -51.5 | 174.7 | -68.6 | 164.8 | 0 | 0 | 0 | 110.4 | I183 P342 D346 T347 K352 G353 L354 P388 | I183-I350 HydrophobicContact CB-CG1 4.03Å; I183-I350 HydrophobicContact CG2-CG1 4.3Å; P342-I350 HydrophobicContact CB-CD1 4.38Å; D346-I350 VanDerWaalsContact O-CG1 3.32Å; D346-I350 WeakPolarHBondContact O-CG1 3.41Å; D346-I350 PolarHBondContact O-N 2.93Å; T347-I350 PolarHBondContact O-N 2.99Å; I350-K352 VanDerWaalsContact C-N 3.34Å; I350-K352 PolarHBondContact O-N 2.92Å; I350-G353 PolarHBondContact O-N 3.42Å; I350-G353 VanDerWaalsContact O-N 3.09Å; I350-L354 HydrophobicContact CG2-CD1 3.98Å; I350-L354 WeakPolarHBondContact O-CG 3.36Å; I350-L354 PolarHBondContact O-N 3.26Å; I350-P388 HydrophobicContact CD1-CB 4.25Å; I350-P388 HydrophobicContact CD1-CG 4.33Å; I350-P388 HydrophobicContact CG2-CB 4.38Å |
| 351 | L | 93.6 | Very high | 91.1 | Very high | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.3 | -37.9 | 179.8 | -70.6 | 177.8 | 0 | 0 | 0 | 112.8 | T347 V348 G353 L354 R355 I371 V375 A391 I392 I395 | T347-L351 WeakPolarHBondContact O-CG 3.31Å; T347-L351 PolarHBondContact O-N 3.45Å; V348-L351 PolarHBondContact O-N 2.93Å; L351-G353 VanDerWaalsContact C-N 3.28Å; L351-G353 PolarHBondContact O-N 3.31Å; L351-L354 PolarHBondContact O-N 3.5Å; L351-R355 PolarHBondContact O-N 2.67Å; L351-I371 HydrophobicContact CB-CG2 3.58Å; L351-I371 HydrophobicContact CD1-CG2 3.87Å; L351-I371 HydrophobicContact CG-CG2 4.4Å; L351-V375 HydrophobicContact CD1-CG2 3.51Å; L351-A391 HydrophobicContact CD1-CB 3.99Å; L351-I392 HydrophobicContact CD2-CB 4.37Å; L351-I392 HydrophobicContact CD2-CG1 3.62Å; L351-I395 HydrophobicContact CD1-CG1 4.34Å; L351-I395 HydrophobicContact CD2-CG1 4.31Å |
| 352 | K | 93.8 | Very high | 90.9 | Very high | 76 Ų | 76 | 50.7 Ų | 50.7 | 33% | 0.33 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.4 | -34.7 | 173.6 | -76.3 | -174.8 | 177.7 | -162.8 | 0 | 112.4 | V348 A349 I350 R355 D368 I371 | V348-K352 HydrophobicContact CG1-CD 4.34Å; V348-K352 WeakPolarHBondContact O-CG 3.35Å; V348-K352 PolarHBondContact O-N 3.21Å; A349-K352 PolarHBondContact O-N 3.41Å; I350-K352 VanDerWaalsContact C-N 3.34Å; I350-K352 PolarHBondContact O-N 2.92Å; K352-R355 WeakPolarHBondContact O-CB 3.46Å; K352-D368 WeakPolarHBondContact CE-OD2 3.47Å; K352-D368 IonicContact NZ-OD2 3.52Å; K352-D368 PolarHBondContact NZ-OD2 2.97Å; K352-I371 HydrophobicContact CG-CD1 4.04Å; K352-I371 HydrophobicContact CG-CG2 4.5Å |
| 353 | G | 90.7 | Very high | 90.5 | Very high | 27 Ų | 27 | 57.3 Ų | 57.3 | 28% | 0.278 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -72.5 | -31.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | A349 I350 L351 | A349-G353 PolarHBondContact O-N 3Å; I350-G353 PolarHBondContact O-N 3.42Å; I350-G353 VanDerWaalsContact O-N 3.09Å; L351-G353 VanDerWaalsContact C-N 3.28Å; L351-G353 PolarHBondContact O-N 3.31Å |
| 354 | L | 90.7 | Very high | 90.3 | Very high | 11 Ų | 11 | 54.9 Ų | 54.9 | 6% | 0.058 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -83.5 | -15.4 | 177.8 | -64.8 | 173.9 | 0 | 0 | 0 | 113.4 | D180 I350 L351 D356 R357 Y358 I392 | D180-L354 HydrophobicContact CB-CD2 3.79Å; I350-L354 HydrophobicContact CG2-CD1 3.98Å; I350-L354 WeakPolarHBondContact O-CG 3.36Å; I350-L354 PolarHBondContact O-N 3.26Å; L351-L354 PolarHBondContact O-N 3.5Å; L354-D356 PolarHBondContact O-N 2.97Å; L354-R357 PolarHBondContact O-N 2.92Å; L354-R357 VanDerWaalsContact O-N 3.12Å; L354-Y358 HydrophobicContact CB-CD2 3.96Å; L354-Y358 HydrophobicContact CB-CE2 3.89Å; L354-Y358 HydrophobicContact CD1-CE2 4.33Å; L354-Y358 WeakPolarHBondContact O-CD2 3.36Å; L354-Y358 PolarHBondContact O-N 3.4Å; L354-I392 HydrophobicContact CD1-CD1 3.81Å; L354-I392 HydrophobicContact CD1-CG1 4.08Å |
| 355 | R | 91.7 | Very high | 90.2 | Very high | 80 Ų | 80 | 55.3 Ų | 55.3 | 30% | 0.302 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -46.7 | -54.6 | -175.5 | -176.8 | -176.8 | 64.2 | -165.2 | -2.3 | 112.7 | L351 K352 R357 Y358 E359 I366 D368 | L351-R355 PolarHBondContact O-N 2.67Å; K352-R355 WeakPolarHBondContact O-CB 3.46Å; R355-R357 PolarHBondContact O-N 2.83Å; R355-R357 VanDerWaalsContact O-N 3.11Å; R355-Y358 PolarHBondContact O-N 3.44Å; R355-Y358 VanDerWaalsContact O-N 3.1Å; R355-E359 HydrophobicContact CG-CG 3.9Å; R355-E359 WeakPolarHBondContact O-CB 3.43Å; R355-E359 WeakPolarHBondContact O-CG 3.25Å; R355-E359 PolarHBondContact O-N 3.02Å; R355-I366 HydrophobicContact CG-CB 4.12Å; R355-I366 HydrophobicContact CG-CD1 4.44Å; R355-D368 IonicContact NH1-OD1 2.67Å |
| 356 | D | 89.1 | Confident | 90.2 | Very high | 102 Ų | 102 | 50.5 Ų | 50.5 | 55% | 0.545 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.9 | -32.1 | -172.8 | -62.6 | -3.5 | 0 | 0 | 0 | 112.4 | L354 A360 | L354-D356 PolarHBondContact O-N 2.97Å; D356-A360 WeakPolarHBondContact O-CB 3.38Å; D356-A360 PolarHBondContact O-N 2.76Å; D356-A360 VanDerWaalsContact O-N 3.1Å |
| 357 | R | 87.8 | Confident | 90.3 | Very high | 88 Ų | 88 | 48.8 Ų | 48.8 | 33% | 0.332 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -74.7 | -44.5 | 177.7 | -67.7 | -178.4 | 172.8 | -145.5 | -6.5 | 112.2 | G177 T178 L179 D180 L354 R355 A360 H361 | G177-R357 PolarHBondContact O-NH2 3.31Å; T178-R357 PolarHBondContact O-NH1 2.83Å; T178-R357 PolarHBondContact O-NH2 3.02Å; L179-R357 VanDerWaalsContact C-NH2 3.32Å; L179-R357 VanDerWaalsContact O-CZ 3.28Å; L179-R357 PolarHBondContact O-NH1 3.41Å; L179-R357 PolarHBondContact O-NH2 2.97Å; D180-R357 VanDerWaalsContact N-NH1 3.15Å; D180-R357 WeakPolarHBondContact OD1-CD 3.34Å; D180-R357 IonicContact OD1-CZ 2.71Å; D180-R357 VanDerWaalsContact OD1-CZ 3.26Å; D180-R357 IonicContact OD1-NE 3.39Å; D180-R357 PolarHBondContact OD1-NE 3.38Å; D180-R357 IonicContact OD1-NH1 2.66Å; D180-R357 PolarHBondContact OD1-NH1 3.43Å; L354-R357 PolarHBondContact O-N 2.92Å; L354-R357 VanDerWaalsContact O-N 3.12Å; R355-R357 PolarHBondContact O-N 2.83Å; R355-R357 VanDerWaalsContact O-N 3.11Å; R357-A360 PolarHBondContact O-N 3.14Å; R357-H361 WeakPolarHBondContact O-CB 3.41Å; R357-H361 PolarHBondContact O-N 3.42Å |
| 358 | Y | 90.2 | Very high | 90.3 | Very high | 50 Ų | 50 | 52.1 Ų | 52.1 | 20% | 0.196 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.2 | -39.4 | 176.6 | -77 | -71.5 | 0 | 0 | 0 | 112 | L354 R355 H361 H362 I392 D396 | L354-Y358 HydrophobicContact CB-CD2 3.96Å; L354-Y358 HydrophobicContact CB-CE2 3.89Å; L354-Y358 HydrophobicContact CD1-CE2 4.33Å; L354-Y358 WeakPolarHBondContact O-CD2 3.36Å; L354-Y358 PolarHBondContact O-N 3.4Å; R355-Y358 PolarHBondContact O-N 3.44Å; R355-Y358 VanDerWaalsContact O-N 3.1Å; Y358-H361 PolarHBondContact O-N 2.81Å; Y358-H362 WeakPolarHBondContact O-CB 3.35Å; Y358-H362 PolarHBondContact O-CD2 2.93Å; Y358-H362 PolarHBondContact O-N 3.24Å; Y358-I392 HydrophobicContact CE2-CG2 4.14Å; Y358-I392 WeakPolarHBondContact OH-CG2 3.24Å; Y358-D396 HydrophobicContact CD1-CB 4.42Å; Y358-D396 HydrophobicContact CE1-CB 3.88Å |
| 359 | E | 89.8 | Confident | 90.2 | Very high | 34 Ų | 34 | 57.5 Ų | 57.5 | 16% | 0.159 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 173.5 | -69.6 | -170.8 | 158.4 | 0 | 0 | 111.3 | R355 R363 I364 I366 | R355-E359 HydrophobicContact CG-CG 3.9Å; R355-E359 WeakPolarHBondContact O-CB 3.43Å; R355-E359 WeakPolarHBondContact O-CG 3.25Å; R355-E359 PolarHBondContact O-N 3.02Å; E359-R363 WeakPolarHBondContact O-CA 3.5Å; E359-R363 PolarHBondContact O-N 3.47Å; E359-I364 WeakPolarHBondContact CA-O 3.29Å; E359-I364 VanDerWaalsContact CB-O 3.31Å; E359-I364 WeakPolarHBondContact CB-O 3.41Å; E359-I364 VanDerWaalsContact CG-O 3.24Å; E359-I364 WeakPolarHBondContact CG-O 3.43Å; E359-I366 HydrophobicContact CG-CB 4.33Å; E359-I366 HydrophobicContact CG-CD1 4Å; E359-I366 HydrophobicContact CG-CG1 3.98Å; E359-I366 PolarHBondContact OE1-N 2.92Å |
| 360 | A | 86.6 | Confident | 90.3 | Very high | 72 Ų | 72 | 55.5 Ų | 55.5 | 60% | 0.595 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -66 | -39.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | D356 R357 | D356-A360 WeakPolarHBondContact O-CB 3.38Å; D356-A360 PolarHBondContact O-N 2.76Å; D356-A360 VanDerWaalsContact O-N 3.1Å; R357-A360 PolarHBondContact O-N 3.14Å |
| 361 | H | 86.8 | Confident | 90.4 | Very high | 119 Ų | 119 | 54.5 Ų | 54.5 | 55% | 0.551 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -69.3 | -45.8 | -179 | -177.7 | -100.2 | 0 | 0 | 0 | 112.5 | R357 Y358 R403 | R357-H361 WeakPolarHBondContact O-CB 3.41Å; R357-H361 PolarHBondContact O-N 3.42Å; Y358-H361 PolarHBondContact O-N 2.81Å; H361-R403 PolarHBondContact O-NH1 3.47Å |
| 362 | H | 85.9 | Confident | 90.4 | Very high | 8 Ų | 8 | 58 Ų | 58 | 4% | 0.037 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -93.4 | -18 | -176.4 | -66.9 | -59.7 | 0 | 0 | 0 | 114.4 | Y358 I364 D396 S399 R403 | Y358-H362 WeakPolarHBondContact O-CB 3.35Å; Y358-H362 PolarHBondContact O-CD2 2.93Å; Y358-H362 PolarHBondContact O-N 3.24Å; H362-I364 HydrophobicContact CB-CG1 4.1Å; H362-D396 IonicContact CD2-OD1 2.87Å; H362-D396 IonicContact CE1-OD1 3.93Å; H362-D396 PolarHBondContact CE1-OD1 2.88Å; H362-D396 IonicContact NE2-OD1 2.76Å; H362-D396 PolarHBondContact NE2-OD1 3.24Å; H362-S399 WeakPolarHBondContact CD2-CB 3.39Å; H362-R403 VanDerWaalsContact O-CD 3.26Å; H362-R403 WeakPolarHBondContact O-CD 3.47Å |
| 363 | R | 83.4 | Confident | 90.3 | Very high | 153 Ų | 153 | 54.7 Ų | 54.7 | 58% | 0.577 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 43.3 | -177.6 | -50 | 175.4 | -178.7 | -158.2 | -7.1 | 112.7 | E359 | E359-R363 WeakPolarHBondContact O-CA 3.5Å; E359-R363 PolarHBondContact O-N 3.47Å |
| 364 | I | 87.4 | Confident | 90.4 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | trans | -128.9 | 163.1 | 175.5 | 68.5 | 168.3 | 0 | 0 | 0 | 109 | E359 H362 I366 S399 V402 R403 T469 L471 | E359-I364 WeakPolarHBondContact CA-O 3.29Å; E359-I364 VanDerWaalsContact CB-O 3.31Å; E359-I364 WeakPolarHBondContact CB-O 3.41Å; E359-I364 VanDerWaalsContact CG-O 3.24Å; E359-I364 WeakPolarHBondContact CG-O 3.43Å; H362-I364 HydrophobicContact CB-CG1 4.1Å; I364-I366 HydrophobicContact CD1-CG1 4.46Å; I364-I366 HydrophobicContact CG1-CG1 4.42Å; I364-S399 VanDerWaalsContact CD1-CA 3.41Å; I364-S399 WeakPolarHBondContact CD1-OG 3.22Å; I364-V402 HydrophobicContact CG2-CG1 4.48Å; I364-R403 HydrophobicContact CG2-CB 4.46Å; I364-T469 WeakPolarHBondContact CB-O 3.44Å; I364-L471 HydrophobicContact CD1-CB 4.12Å | ||
| 365 | N | 89.5 | Confident | 90.5 | Very high | 63 Ų | 63 | 52.9 Ų | 52.9 | 34% | 0.337 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 128.9 | 171 | -66 | -12.9 | 0 | 0 | 0 | 109.5 | M467 T469 S470 L471 | N365-M467 PolarHBondContact ND2-O 2.91Å; N365-T469 PolarHBondContact N-O 3.27Å; N365-S470 CarbonylContact O-C 3.57Å; N365-S470 WeakPolarHBondContact O-CA 3.34Å; N365-L471 PolarHBondContact O-N 3.22Å |
| 366 | I | 92.7 | Very high | 90.4 | Very high | 9 Ų | 9 | 54.7 Ų | 54.7 | 5% | 0.046 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 115.6 | 179.2 | -62.3 | 168.1 | 0 | 0 | 0 | 108.3 | R355 E359 I364 I371 I395 L471 | R355-I366 HydrophobicContact CG-CB 4.12Å; R355-I366 HydrophobicContact CG-CD1 4.44Å; E359-I366 HydrophobicContact CG-CB 4.33Å; E359-I366 HydrophobicContact CG-CD1 4Å; E359-I366 HydrophobicContact CG-CG1 3.98Å; E359-I366 PolarHBondContact OE1-N 2.92Å; I364-I366 HydrophobicContact CD1-CG1 4.46Å; I364-I366 HydrophobicContact CG1-CG1 4.42Å; I366-I371 HydrophobicContact CG2-CD1 3.96Å; I366-I371 HydrophobicContact CG2-CG1 3.66Å; I366-I395 HydrophobicContact CD1-CG2 3.86Å; I366-I395 HydrophobicContact CG2-CD1 4.4Å; I366-L471 HydrophobicContact CG1-CD2 4.31Å; I366-L471 HydrophobicContact CG2-CD2 4.23Å |
| 367 | S | 92.6 | Very high | 90.3 | Very high | 34 Ų | 34 | 51.3 Ų | 51.3 | 24% | 0.238 | 25% | 0.248 | C | C | . | . | trans | -70.7 | 148.3 | 178.1 | 68.6 | 0 | 0 | 0 | 0 | 112 | E369 A370 I371 L471 | S367-E369 PolarHBondContact O-N 3.48Å; S367-A370 WeakPolarHBondContact O-CB 3.34Å; S367-A370 PolarHBondContact O-N 3.46Å; S367-A370 VanDerWaalsContact O-N 3.14Å; S367-A370 VanDerWaalsContact OG-CB 3.26Å; S367-A370 WeakPolarHBondContact OG-CB 3.41Å; S367-A370 PolarHBondContact OG-N 3.1Å; S367-A370 VanDerWaalsContact OG-N 3.1Å; S367-I371 PolarHBondContact O-N 3.35Å; S367-L471 VanDerWaalsContact CB-O 3.32Å; S367-L471 WeakPolarHBondContact CB-O 3.34Å; S367-L471 PolarHBondContact N-O 2.85Å; S367-L471 PolarHBondContact OG-O 3.17Å | ||
| 368 | D | 94.2 | Very high | 90.3 | Very high | 70 Ų | 70 | 47.1 Ų | 47.1 | 37% | 0.374 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.1 | -33.5 | 174.7 | -86.7 | 22.6 | 0 | 0 | 0 | 111.5 | K352 R355 I371 E372 | K352-D368 WeakPolarHBondContact CE-OD2 3.47Å; K352-D368 IonicContact NZ-OD2 3.52Å; K352-D368 PolarHBondContact NZ-OD2 2.97Å; R355-D368 IonicContact NH1-OD1 2.67Å; D368-I371 PolarHBondContact O-N 3.47Å; D368-E372 PolarHBondContact O-N 3.42Å |
| 369 | E | 92.9 | Very high | 90.1 | Very high | 139 Ų | 139 | 48 Ų | 48 | 65% | 0.65 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -63.1 | -42.3 | 174.5 | -65.7 | 178.6 | -176.7 | 0 | 0 | 111.7 | S367 I371 E372 A373 | S367-E369 PolarHBondContact O-N 3.48Å; E369-I371 VanDerWaalsContact C-N 3.34Å; E369-I371 PolarHBondContact O-N 2.9Å; E369-E372 PolarHBondContact O-N 3.05Å; E369-A373 VanDerWaalsContact O-CB 3.23Å; E369-A373 WeakPolarHBondContact O-CB 3.47Å; E369-A373 PolarHBondContact O-N 3.46Å |
| 370 | A | 93.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.8 | -38.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S367 A373 A374 L471 I476 | S367-A370 WeakPolarHBondContact O-CB 3.34Å; S367-A370 PolarHBondContact O-N 3.46Å; S367-A370 VanDerWaalsContact O-N 3.14Å; S367-A370 VanDerWaalsContact OG-CB 3.26Å; S367-A370 WeakPolarHBondContact OG-CB 3.41Å; S367-A370 PolarHBondContact OG-N 3.1Å; S367-A370 VanDerWaalsContact OG-N 3.1Å; A370-A373 PolarHBondContact O-N 2.9Å; A370-A374 VanDerWaalsContact O-CB 3.3Å; A370-A374 WeakPolarHBondContact O-CB 3.29Å; A370-A374 PolarHBondContact O-N 3Å; A370-L471 HydrophobicContact CB-CB 4.42Å; A370-L471 HydrophobicContact CB-CD2 4.26Å; A370-L471 HydrophobicContact CB-CG 3.96Å; A370-L471 WeakPolarHBondContact CB-O 3.42Å; A370-I476 HydrophobicContact CB-CD1 4.47Å; A370-I476 HydrophobicContact CB-CG1 4Å |
| 371 | I | 94.9 | Very high | 88.8 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.2 | -49.3 | 175.7 | -66.7 | 173.8 | 0 | 0 | 0 | 110.6 | V348 L351 K352 I366 S367 D368 E369 A373 A374 V375 I395 | V348-I371 HydrophobicContact CG1-CG2 4.2Å; L351-I371 HydrophobicContact CB-CG2 3.58Å; L351-I371 HydrophobicContact CD1-CG2 3.87Å; L351-I371 HydrophobicContact CG-CG2 4.4Å; K352-I371 HydrophobicContact CG-CD1 4.04Å; K352-I371 HydrophobicContact CG-CG2 4.5Å; I366-I371 HydrophobicContact CG2-CD1 3.96Å; I366-I371 HydrophobicContact CG2-CG1 3.66Å; S367-I371 PolarHBondContact O-N 3.35Å; D368-I371 PolarHBondContact O-N 3.47Å; E369-I371 VanDerWaalsContact C-N 3.34Å; E369-I371 PolarHBondContact O-N 2.9Å; I371-A373 VanDerWaalsContact C-N 3.33Å; I371-A373 PolarHBondContact O-N 3.04Å; I371-A374 PolarHBondContact O-N 3.03Å; I371-V375 PolarHBondContact O-N 3.18Å; I371-I395 HydrophobicContact CG1-CD1 4.42Å |
| 372 | E | 94.6 | Very high | 88.5 | Confident | 79 Ų | 79 | 45.8 Ų | 45.8 | 37% | 0.369 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.5 | -41.5 | 178.2 | -74.8 | -165.6 | -163.2 | 0 | 0 | 112.4 | D368 E369 V375 K376 | D368-E372 PolarHBondContact O-N 3.42Å; E369-E372 PolarHBondContact O-N 3.05Å; E372-V375 PolarHBondContact O-N 2.94Å; E372-K376 WeakPolarHBondContact O-CB 3.24Å; E372-K376 WeakPolarHBondContact O-CG 3.35Å; E372-K376 PolarHBondContact O-N 3.37Å; E372-K376 IonicContact OE2-NZ 3.26Å; E372-K376 PolarHBondContact OE2-NZ 3.48Å |
| 373 | A | 90.6 | Very high | 87.9 | Confident | 6 Ų | 6 | 48 Ų | 48 | 5% | 0.05 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.5 | -44.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | E369 A370 I371 V375 K376 L377 E473 I476 | E369-A373 VanDerWaalsContact O-CB 3.23Å; E369-A373 WeakPolarHBondContact O-CB 3.47Å; E369-A373 PolarHBondContact O-N 3.46Å; A370-A373 PolarHBondContact O-N 2.9Å; I371-A373 VanDerWaalsContact C-N 3.33Å; I371-A373 PolarHBondContact O-N 3.04Å; A373-V375 VanDerWaalsContact C-N 3.32Å; A373-V375 PolarHBondContact O-N 2.83Å; A373-K376 PolarHBondContact O-N 2.97Å; A373-L377 HydrophobicContact CB-CD1 4.16Å; A373-L377 WeakPolarHBondContact O-CB 3.35Å; A373-L377 WeakPolarHBondContact O-CG 3.45Å; A373-L377 PolarHBondContact O-N 3.46Å; A373-E473 HydrophobicContact CB-CB 4.14Å; A373-E473 HydrophobicContact CB-CG 3.71Å; A373-I476 HydrophobicContact CB-CG2 4.36Å |
| 374 | A | 93.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.7 | -44.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A370 I371 S378 L394 I395 I476 | A370-A374 VanDerWaalsContact O-CB 3.3Å; A370-A374 WeakPolarHBondContact O-CB 3.29Å; A370-A374 PolarHBondContact O-N 3Å; I371-A374 PolarHBondContact O-N 3.03Å; A374-S378 WeakPolarHBondContact O-CB 3.47Å; A374-S378 PolarHBondContact O-N 2.79Å; A374-S378 PolarHBondContact O-OG 2.9Å; A374-L394 HydrophobicContact CB-CD2 3.96Å; A374-L394 HydrophobicContact CB-CG 4.4Å; A374-I395 HydrophobicContact CB-CD1 3.73Å; A374-I395 HydrophobicContact CB-CG1 3.88Å; A374-I476 HydrophobicContact CB-CD1 4.28Å; A374-I476 HydrophobicContact CB-CG2 4.12Å |
| 375 | V | 94.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -71.3 | -47.8 | 178.3 | -171.4 | 0 | 0 | 0 | 0 | 111.9 | V344 T347 V348 L351 I371 E372 A373 S378 N379 L387 A391 | V344-V375 HydrophobicContact CB-CG1 4.25Å; V344-V375 HydrophobicContact CG1-CG1 3.74Å; V344-V375 HydrophobicContact CG2-CG1 4.49Å; T347-V375 HydrophobicContact CG2-CG1 4.02Å; T347-V375 HydrophobicContact CG2-CG2 3.79Å; V348-V375 HydrophobicContact CG2-CB 4.13Å; V348-V375 HydrophobicContact CG2-CG2 3.77Å; L351-V375 HydrophobicContact CD1-CG2 3.51Å; I371-V375 PolarHBondContact O-N 3.18Å; E372-V375 PolarHBondContact O-N 2.94Å; A373-V375 VanDerWaalsContact C-N 3.32Å; A373-V375 PolarHBondContact O-N 2.83Å; V375-S378 PolarHBondContact O-OG 3.4Å; V375-N379 VanDerWaalsContact O-CB 3.25Å; V375-N379 WeakPolarHBondContact O-CB 3.38Å; V375-N379 PolarHBondContact O-N 3.3Å; V375-L387 HydrophobicContact CG1-CD1 4.22Å; V375-L387 HydrophobicContact CG1-CD2 4.27Å; V375-A391 HydrophobicContact CG2-CB 4.23Å |
| 376 | K | 88.9 | Confident | 87.4 | Confident | 118 Ų | 118 | 50.4 Ų | 50.4 | 51% | 0.513 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.9 | -45.6 | -177.1 | -72.4 | 172.7 | -170.9 | 157.7 | 0 | 111.7 | E372 A373 R380 | E372-K376 WeakPolarHBondContact O-CB 3.24Å; E372-K376 WeakPolarHBondContact O-CG 3.35Å; E372-K376 PolarHBondContact O-N 3.37Å; E372-K376 IonicContact OE2-NZ 3.26Å; E372-K376 PolarHBondContact OE2-NZ 3.48Å; A373-K376 PolarHBondContact O-N 2.97Å; K376-R380 WeakPolarHBondContact O-CB 3.49Å; K376-R380 PolarHBondContact O-N 3.43Å |
| 377 | L | 85.9 | Confident | 87.4 | Confident | 31 Ų | 31 | 50.1 Ų | 50.1 | 16% | 0.162 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -73.1 | -44.5 | -178.3 | -59.8 | 174.8 | 0 | 0 | 0 | 110.8 | A373 N379 R380 Y381 I476 A477 I480 | A373-L377 HydrophobicContact CB-CD1 4.16Å; A373-L377 WeakPolarHBondContact O-CB 3.35Å; A373-L377 WeakPolarHBondContact O-CG 3.45Å; A373-L377 PolarHBondContact O-N 3.46Å; L377-N379 VanDerWaalsContact C-N 3.31Å; L377-N379 PolarHBondContact O-N 3.02Å; L377-R380 PolarHBondContact O-N 3.2Å; L377-R380 VanDerWaalsContact O-N 3.08Å; L377-Y381 HydrophobicContact CB-CD2 4.04Å; L377-Y381 HydrophobicContact CB-CE2 4.45Å; L377-Y381 HydrophobicContact CD2-CD2 4.06Å; L377-Y381 HydrophobicContact CD2-CE2 3.6Å; L377-Y381 WeakPolarHBondContact O-CB 3.46Å; L377-Y381 WeakPolarHBondContact O-CD2 3.36Å; L377-Y381 PolarHBondContact O-N 3.23Å; L377-I476 HydrophobicContact CD1-CG2 4.13Å; L377-A477 HydrophobicContact CD1-CB 4.42Å; L377-I480 HydrophobicContact CB-CD1 3.2Å; L377-I480 HydrophobicContact CD1-CD1 4.14Å; L377-I480 HydrophobicContact CG-CD1 4.3Å |
| 378 | S | 88.3 | Confident | 87.5 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.8 | -37.9 | 176.8 | 65.7 | 0 | 0 | 0 | 0 | 112.3 | A374 V375 R380 V382 | A374-S378 WeakPolarHBondContact O-CB 3.47Å; A374-S378 PolarHBondContact O-N 2.79Å; A374-S378 PolarHBondContact O-OG 2.9Å; V375-S378 PolarHBondContact O-OG 3.4Å; S378-R380 VanDerWaalsContact C-N 3.29Å; S378-R380 PolarHBondContact O-N 3.47Å; S378-V382 CarbonylContact O-C 2.99Å; S378-V382 WeakPolarHBondContact O-CA 3.47Å; S378-V382 WeakPolarHBondContact O-CB 3.48Å; S378-V382 PolarHBondContact O-N 2.94Å |
| 379 | N | 85.6 | Confident | 87.5 | Confident | 70 Ų | 70 | 48.5 Ų | 48.5 | 37% | 0.374 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.5 | -31.4 | 175.4 | -170.5 | 39.2 | 0 | 0 | 0 | 113.2 | V375 L377 | V375-N379 VanDerWaalsContact O-CB 3.25Å; V375-N379 WeakPolarHBondContact O-CB 3.38Å; V375-N379 PolarHBondContact O-N 3.3Å; L377-N379 VanDerWaalsContact C-N 3.31Å; L377-N379 PolarHBondContact O-N 3.02Å |
| 380 | R | 75.9 | Confident | 87.4 | Confident | 141 Ų | 141 | 42.2 Ų | 42.2 | 53% | 0.532 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -86 | -38.9 | -178.2 | -175.1 | 174.2 | -178.9 | 178.5 | -0.1 | 113.4 | K376 L377 S378 | K376-R380 WeakPolarHBondContact O-CB 3.49Å; K376-R380 PolarHBondContact O-N 3.43Å; L377-R380 PolarHBondContact O-N 3.2Å; L377-R380 VanDerWaalsContact O-N 3.08Å; S378-R380 VanDerWaalsContact C-N 3.29Å; S378-R380 PolarHBondContact O-N 3.47Å |
| 381 | Y | 74.6 | Confident | 87.5 | Confident | 31 Ų | 31 | 42.2 Ų | 42.2 | 12% | 0.122 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -106.5 | -24.5 | -168.3 | -64.8 | -76.4 | 0 | 0 | 0 | 113.5 | L377 I480 I486 L488 Y611 | L377-Y381 HydrophobicContact CB-CD2 4.04Å; L377-Y381 HydrophobicContact CB-CE2 4.45Å; L377-Y381 HydrophobicContact CD2-CD2 4.06Å; L377-Y381 HydrophobicContact CD2-CE2 3.6Å; L377-Y381 WeakPolarHBondContact O-CB 3.46Å; L377-Y381 WeakPolarHBondContact O-CD2 3.36Å; L377-Y381 PolarHBondContact O-N 3.23Å; Y381-I480 HydrophobicContact CG-CG2 4.39Å; Y381-I486 HydrophobicContact CD1-CD1 3.85Å; Y381-L488 HydrophobicContact CD1-CD1 4.29Å; Y381-L488 HydrophobicContact CD1-CD2 3.76Å; Y381-L488 HydrophobicContact CD2-CD1 3.91Å; Y381-L488 HydrophobicContact CD2-CD2 4.2Å; Y381-L488 HydrophobicContact CE1-CD2 3.39Å; Y381-L488 HydrophobicContact CE2-CD1 4.2Å; Y381-L488 HydrophobicContact CE2-CD2 3.81Å; Y381-L488 HydrophobicContact CG-CD1 4Å; Y381-L488 HydrophobicContact CG-CD2 4.22Å; Y381-L488 VanDerWaalsContact CZ-CD2 3.4Å; Y381-Y611 HydrophobicContact CD1-CE1 4.46Å; Y381-Y611 AromaticContact CD1-CZ 3.85Å; Y381-Y611 WeakPolarHBondContact CD1-OH 3.41Å; Y381-Y611 HydrophobicContact CE1-CE1 4.42Å; Y381-Y611 WeakPolarHBondContact CE1-OH 3.34Å |
| 382 | V | 80.7 | Confident | 87.4 | Confident | 6 Ų | 6 | 43.5 Ų | 43.5 | 4% | 0.036 | 21% | 0.207 | C | C | . | . | trans | -112.1 | 99.1 | -178.6 | -175.5 | 0 | 0 | 0 | 0 | 109.3 | S378 D384 R385 K390 I480 W483 T484 | S378-V382 CarbonylContact O-C 2.99Å; S378-V382 WeakPolarHBondContact O-CA 3.47Å; S378-V382 WeakPolarHBondContact O-CB 3.48Å; S378-V382 PolarHBondContact O-N 2.94Å; V382-D384 WeakPolarHBondContact CG1-OD1 3.48Å; V382-R385 HydrophobicContact CG1-CB 4.22Å; V382-R385 HydrophobicContact CG1-CG 4.42Å; V382-K390 HydrophobicContact CB-CD 4.19Å; V382-K390 HydrophobicContact CG1-CB 4.37Å; V382-K390 HydrophobicContact CG1-CD 4.22Å; V382-K390 PolarHBondContact O-NZ 2.85Å; V382-I480 HydrophobicContact CG2-CG2 4.45Å; V382-W483 HydrophobicContact CG2-CE3 4.12Å; V382-T484 HydrophobicContact CG2-CG2 4.19Å | ||
| 383 | S | 73.2 | Confident | 87.4 | Confident | 54 Ų | 54 | 42.2 Ų | 42.2 | 38% | 0.378 | 20% | 0.203 | S | C | . | . | trans | -102.2 | -15.4 | -172.1 | 56.3 | 0 | 0 | 0 | 0 | 114.8 | R385 | S383-R385 VanDerWaalsContact C-N 3.32Š| ||
| 384 | D | 75.6 | Confident | 87.6 | Confident | 111 Ų | 111 | 42 Ų | 42 | 59% | 0.594 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -82.4 | -10.6 | 179.2 | 65.4 | -39.7 | 0 | 0 | 0 | 113.4 | V382 | V382-D384 WeakPolarHBondContact CG1-OD1 3.48Š|
| 385 | R | 85 | Confident | 87.7 | Confident | 95 Ų | 95 | 42.2 Ų | 42.2 | 36% | 0.358 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -124.3 | 159.2 | 178.5 | -58.4 | -172 | -168.7 | -170.6 | 5.3 | 111.8 | V382 S383 K390 D393 | V382-R385 HydrophobicContact CG1-CB 4.22Å; V382-R385 HydrophobicContact CG1-CG 4.42Å; S383-R385 VanDerWaalsContact C-N 3.32Å; R385-K390 HydrophobicContact CB-CB 3.82Å; R385-K390 HydrophobicContact CB-CD 4.33Å; R385-K390 WeakPolarHBondContact O-CD 3.26Å; R385-K390 PolarHBondContact O-NZ 3.24Å; R385-D393 IonicContact NH1-OD2 2.88Å; R385-D393 PolarHBondContact NH1-OD2 3.31Å |
| 386 | F | 89.3 | Confident | 87.7 | Confident | 63 Ų | 63 | 45 Ų | 45 | 28% | 0.276 | 22% | 0.216 | S | C | . | . | trans | -109 | 153.5 | -177.1 | -58.8 | -85.8 | 0 | 0 | 0 | 111.3 | E209 V212 E341 D389 K390 | E209-F386 HydrophobicContact CB-CD1 4.31Å; E209-F386 HydrophobicContact CB-CD2 3.47Å; E209-F386 VanDerWaalsContact CB-CD2 3.47Å; E209-F386 HydrophobicContact CB-CE1 4.3Å; E209-F386 HydrophobicContact CB-CE2 3.47Å; E209-F386 VanDerWaalsContact CB-CE2 3.47Å; E209-F386 HydrophobicContact CB-CG 3.92Å; E209-F386 HydrophobicContact CB-CZ 3.9Å; E209-F386 HydrophobicContact CG-CD1 4.42Å; E209-F386 HydrophobicContact CG-CD2 4.15Å; E209-F386 HydrophobicContact CG-CE1 3.99Å; E209-F386 HydrophobicContact CG-CE2 3.69Å; E209-F386 HydrophobicContact CG-CG 4.5Å; E209-F386 HydrophobicContact CG-CZ 3.6Å; V212-F386 HydrophobicContact CG1-CB 4.04Å; E341-F386 HydrophobicContact CG-CB 4.35Å; F386-D389 PolarHBondContact O-N 3.48Å; F386-K390 PolarHBondContact O-N 3.03Å | ||
| 387 | L | 92 | Very high | 87.9 | Confident | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | 151.1 | 168.3 | -60.3 | 172.8 | 0 | 0 | 0 | 109.9 | V212 E341 P342 V344 T347 V375 K390 A391 | V212-L387 WeakPolarHBondContact CA-O 3.38Å; E341-L387 HydrophobicContact CG-CB 3.86Å; E341-L387 WeakPolarHBondContact OE1-CB 3.42Å; E341-L387 WeakPolarHBondContact OE1-CG 3.41Å; E341-L387 PolarHBondContact OE1-N 3.17Å; P342-L387 WeakPolarHBondContact CD-O 3.39Å; P342-L387 HydrophobicContact CG-CB 3.98Å; V344-L387 HydrophobicContact CG2-CD1 4.43Å; T347-L387 HydrophobicContact CG2-CB 4.41Å; T347-L387 HydrophobicContact CG2-CD2 4.19Å; V375-L387 HydrophobicContact CG1-CD1 4.22Å; V375-L387 HydrophobicContact CG1-CD2 4.27Å; L387-K390 HydrophobicContact CD2-CD 4.16Å; L387-K390 HydrophobicContact CD2-CG 3.77Å; L387-A391 HydrophobicContact CD2-CB 4.01Å |
| 388 | P | 93.7 | Very high | 88.2 | Confident | 11 Ų | 11 | 42 Ų | 42 | 7% | 0.071 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -85.7 | -11 | -1.7 | 35.8 | -34.5 | 0 | 0 | 0 | 114.2 | G211 P342 T347 I350 K390 A391 I392 | G211-P388 VanDerWaalsContact O-CD 3.27Å; G211-P388 WeakPolarHBondContact O-CD 3.46Å; P342-P388 HydrophobicContact CG-CB 4.33Å; P342-P388 HydrophobicContact CG-CG 4.36Å; T347-P388 HydrophobicContact CG2-CB 3.84Å; I350-P388 HydrophobicContact CD1-CB 4.25Å; I350-P388 HydrophobicContact CD1-CG 4.33Å; I350-P388 HydrophobicContact CG2-CB 4.38Å; P388-K390 PolarHBondContact O-N 3.36Å; P388-A391 PolarHBondContact O-N 3.49Å; P388-I392 HydrophobicContact CB-CD1 4.06Å; P388-I392 HydrophobicContact CB-CG1 4.5Å; P388-I392 HydrophobicContact CG-CD1 4.18Å; P388-I392 WeakPolarHBondContact O-CG1 3.46Å; P388-I392 PolarHBondContact O-N 2.83Å |
| 389 | D | 94.2 | Very high | 88.4 | Confident | 59 Ų | 59 | 42 Ų | 42 | 32% | 0.316 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -48.8 | -54.1 | -173.2 | -176.7 | 71.4 | 0 | 0 | 0 | 113.8 | G211 F386 A391 I392 D393 | G211-D389 VanDerWaalsContact CA-CB 3.48Å; G211-D389 VanDerWaalsContact O-CB 3.3Å; G211-D389 WeakPolarHBondContact O-CB 3.48Å; G211-D389 PolarHBondContact O-N 2.93Å; F386-D389 PolarHBondContact O-N 3.48Å; D389-A391 PolarHBondContact O-N 3.34Å; D389-A391 VanDerWaalsContact O-N 3.09Å; D389-I392 PolarHBondContact O-N 2.99Å; D389-I392 VanDerWaalsContact O-N 3.07Å; D389-D393 PolarHBondContact O-N 2.91Å |
| 390 | K | 92.6 | Very high | 88.7 | Confident | 6 Ų | 6 | 40.9 Ų | 40.9 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.2 | -28 | 179.3 | 66.4 | 179.3 | 169.7 | -164.3 | 0 | 114.6 | V382 R385 F386 L387 P388 L394 | V382-K390 HydrophobicContact CB-CD 4.19Å; V382-K390 HydrophobicContact CG1-CB 4.37Å; V382-K390 HydrophobicContact CG1-CD 4.22Å; V382-K390 PolarHBondContact O-NZ 2.85Å; R385-K390 HydrophobicContact CB-CB 3.82Å; R385-K390 HydrophobicContact CB-CD 4.33Å; R385-K390 WeakPolarHBondContact O-CD 3.26Å; R385-K390 PolarHBondContact O-NZ 3.24Å; F386-K390 PolarHBondContact O-N 3.03Å; L387-K390 HydrophobicContact CD2-CD 4.16Å; L387-K390 HydrophobicContact CD2-CG 3.77Å; P388-K390 PolarHBondContact O-N 3.36Å; K390-L394 VanDerWaalsContact O-CB 3.28Å; K390-L394 WeakPolarHBondContact O-CB 3.31Å; K390-L394 PolarHBondContact O-N 3.48Å |
| 391 | A | 94.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -85.1 | -33.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | T347 L351 V375 L387 P388 D389 I395 | T347-A391 HydrophobicContact CG2-CB 4.16Å; L351-A391 HydrophobicContact CD1-CB 3.99Å; V375-A391 HydrophobicContact CG2-CB 4.23Å; L387-A391 HydrophobicContact CD2-CB 4.01Å; P388-A391 PolarHBondContact O-N 3.49Å; D389-A391 PolarHBondContact O-N 3.34Å; D389-A391 VanDerWaalsContact O-N 3.09Å; A391-I395 WeakPolarHBondContact O-CG1 3.4Å; A391-I395 PolarHBondContact O-N 2.93Å |
| 392 | I | 93.9 | Very high | 89.9 | Confident | 30 Ų | 30 | 36 Ų | 36 | 15% | 0.154 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.1 | -51.4 | 173.4 | -66.2 | 169.3 | 0 | 0 | 0 | 110 | L351 L354 Y358 P388 D389 L394 I395 D396 | L351-I392 HydrophobicContact CD2-CB 4.37Å; L351-I392 HydrophobicContact CD2-CG1 3.62Å; L354-I392 HydrophobicContact CD1-CD1 3.81Å; L354-I392 HydrophobicContact CD1-CG1 4.08Å; Y358-I392 HydrophobicContact CE2-CG2 4.14Å; Y358-I392 WeakPolarHBondContact OH-CG2 3.24Å; P388-I392 HydrophobicContact CB-CD1 4.06Å; P388-I392 HydrophobicContact CB-CG1 4.5Å; P388-I392 HydrophobicContact CG-CD1 4.18Å; P388-I392 WeakPolarHBondContact O-CG1 3.46Å; P388-I392 PolarHBondContact O-N 2.83Å; D389-I392 PolarHBondContact O-N 2.99Å; D389-I392 VanDerWaalsContact O-N 3.07Å; I392-L394 PolarHBondContact O-N 3.08Å; I392-I395 PolarHBondContact O-N 2.92Å; I392-I395 VanDerWaalsContact O-N 3.13Å; I392-D396 PolarHBondContact O-N 3.49Å |
| 393 | D | 94.4 | Very high | 90.1 | Very high | 52 Ų | 52 | 39 Ų | 39 | 28% | 0.278 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -55.1 | -39.8 | 177.3 | -79.6 | -3.9 | 0 | 0 | 0 | 111.6 | R385 D389 D396 E397 W483 | R385-D393 IonicContact NH1-OD2 2.88Å; R385-D393 PolarHBondContact NH1-OD2 3.31Å; D389-D393 PolarHBondContact O-N 2.91Å; D393-D396 PolarHBondContact O-N 2.94Å; D393-E397 WeakPolarHBondContact O-CB 3.11Å; D393-E397 PolarHBondContact O-N 2.89Å; D393-W483 HydrophobicContact CB-CH2 3.66Å; D393-W483 HydrophobicContact CB-CZ2 4.25Å |
| 394 | L | 93.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.9 | -41.2 | -178.7 | 178.5 | 59.8 | 0 | 0 | 0 | 111.8 | A374 K390 I392 A398 I476 V479 I480 W483 | A374-L394 HydrophobicContact CB-CD2 3.96Å; A374-L394 HydrophobicContact CB-CG 4.4Å; K390-L394 VanDerWaalsContact O-CB 3.28Å; K390-L394 WeakPolarHBondContact O-CB 3.31Å; K390-L394 PolarHBondContact O-N 3.48Å; I392-L394 PolarHBondContact O-N 3.08Å; L394-A398 WeakPolarHBondContact O-CB 3.15Å; L394-A398 PolarHBondContact O-N 2.94Å; L394-I476 HydrophobicContact CD1-CG2 4.35Å; L394-I476 HydrophobicContact CD2-CG2 3.63Å; L394-I476 HydrophobicContact CG-CD1 4.42Å; L394-I476 HydrophobicContact CG-CG2 4Å; L394-V479 HydrophobicContact CD1-CB 3.7Å; L394-V479 HydrophobicContact CD1-CG1 3.49Å; L394-V479 VanDerWaalsContact CD1-CG1 3.49Å; L394-I480 HydrophobicContact CD1-CD1 4.48Å; L394-I480 HydrophobicContact CD1-CG1 3.6Å; L394-I480 HydrophobicContact CD2-CD1 3.58Å; L394-I480 HydrophobicContact CD2-CG1 3.59Å; L394-I480 HydrophobicContact CG-CG1 4.26Å; L394-W483 HydrophobicContact CB-CH2 3.77Å; L394-W483 HydrophobicContact CB-CZ3 4.09Å; L394-W483 HydrophobicContact CD1-CH2 4.33Å; L394-W483 HydrophobicContact CD1-CZ3 4.42Å |
| 395 | I | 94.6 | Very high | 90.8 | Very high | 5 Ų | 5 | 41.1 Ų | 41.1 | 3% | 0.026 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.3 | -42.8 | 173.6 | -68.9 | -71.8 | 0 | 0 | 0 | 110.2 | L351 I366 I371 A374 A391 I392 S399 L471 I476 | L351-I395 HydrophobicContact CD1-CG1 4.34Å; L351-I395 HydrophobicContact CD2-CG1 4.31Å; I366-I395 HydrophobicContact CD1-CG2 3.86Å; I366-I395 HydrophobicContact CG2-CD1 4.4Å; I371-I395 HydrophobicContact CG1-CD1 4.42Å; A374-I395 HydrophobicContact CB-CD1 3.73Å; A374-I395 HydrophobicContact CB-CG1 3.88Å; A391-I395 WeakPolarHBondContact O-CG1 3.4Å; A391-I395 PolarHBondContact O-N 2.93Å; I392-I395 PolarHBondContact O-N 2.92Å; I392-I395 VanDerWaalsContact O-N 3.13Å; I395-S399 WeakPolarHBondContact O-CB 3.45Å; I395-S399 PolarHBondContact O-N 3.2Å; I395-S399 PolarHBondContact O-OG 3.44Å; I395-L471 HydrophobicContact CD1-CD2 3.98Å; I395-L471 HydrophobicContact CG2-CD2 4.46Å; I395-I476 HydrophobicContact CD1-CD1 3.84Å |
| 396 | D | 94.1 | Very high | 90.3 | Very high | 58 Ų | 58 | 38.1 Ų | 38.1 | 31% | 0.31 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63.5 | -49.3 | -179.4 | -170.7 | 41.4 | 0 | 0 | 0 | 111.8 | Y358 H362 I392 D393 S399 S400 | Y358-D396 HydrophobicContact CD1-CB 4.42Å; Y358-D396 HydrophobicContact CE1-CB 3.88Å; H362-D396 IonicContact CD2-OD1 2.87Å; H362-D396 IonicContact CE1-OD1 3.93Å; H362-D396 PolarHBondContact CE1-OD1 2.88Å; H362-D396 IonicContact NE2-OD1 2.76Å; H362-D396 PolarHBondContact NE2-OD1 3.24Å; I392-D396 PolarHBondContact O-N 3.49Å; D393-D396 PolarHBondContact O-N 2.94Å; D396-S399 PolarHBondContact O-N 3.35Å; D396-S400 WeakPolarHBondContact O-CB 3.49Å; D396-S400 PolarHBondContact O-N 3.46Å |
| 397 | E | 93.7 | Very high | 89.6 | Confident | 88 Ų | 88 | 39.7 Ų | 39.7 | 41% | 0.411 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -66.2 | -43.8 | 179 | -175.3 | 170.9 | 152.6 | 0 | 0 | 112 | D393 S399 S400 K401 V479 W483 | D393-E397 WeakPolarHBondContact O-CB 3.11Å; D393-E397 PolarHBondContact O-N 2.89Å; E397-S399 VanDerWaalsContact C-N 3.31Å; E397-S399 PolarHBondContact O-N 3.32Å; E397-S400 WeakPolarHBondContact O-CB 3.49Å; E397-S400 PolarHBondContact O-N 3.12Å; E397-K401 WeakPolarHBondContact O-CB 3.34Å; E397-K401 PolarHBondContact O-N 3.37Å; E397-V479 HydrophobicContact CB-CG1 4.13Å; E397-V479 HydrophobicContact CG-CG1 3.9Å; E397-W483 HydrophobicContact CB-CZ2 4.32Å; E397-W483 PolarHBondContact OE1-NE1 3.13Å; E397-W483 VanDerWaalsContact OE2-CE2 3.31Å; E397-W483 WeakPolarHBondContact OE2-CZ2 3.37Å; E397-W483 PolarHBondContact OE2-NE1 3.36Å |
| 398 | A | 93.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.7 | -38.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L394 K401 V402 L471 I476 V479 | L394-A398 WeakPolarHBondContact O-CB 3.15Å; L394-A398 PolarHBondContact O-N 2.94Å; A398-K401 PolarHBondContact O-N 3.18Å; A398-V402 WeakPolarHBondContact O-CB 3.37Å; A398-V402 WeakPolarHBondContact O-CG2 3.41Å; A398-V402 PolarHBondContact O-N 3.49Å; A398-L471 HydrophobicContact CB-CD1 3.65Å; A398-L471 HydrophobicContact CB-CD2 4.35Å; A398-I476 HydrophobicContact CB-CD1 3.76Å; A398-V479 HydrophobicContact CB-CB 4.48Å; A398-V479 HydrophobicContact CB-CG2 3.76Å |
| 399 | S | 92.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.1 | -45.7 | 174.3 | -61.5 | 0 | 0 | 0 | 0 | 111.9 | H362 I364 I395 D396 E397 R403 | H362-S399 WeakPolarHBondContact CD2-CB 3.39Å; I364-S399 VanDerWaalsContact CD1-CA 3.41Å; I364-S399 WeakPolarHBondContact CD1-OG 3.22Å; I395-S399 WeakPolarHBondContact O-CB 3.45Å; I395-S399 PolarHBondContact O-N 3.2Å; I395-S399 PolarHBondContact O-OG 3.44Å; D396-S399 PolarHBondContact O-N 3.35Å; E397-S399 VanDerWaalsContact C-N 3.31Å; E397-S399 PolarHBondContact O-N 3.32Å; S399-R403 VanDerWaalsContact O-CB 3.26Å; S399-R403 WeakPolarHBondContact O-CB 3.05Å; S399-R403 PolarHBondContact O-N 3.15Å |
| 400 | S | 90.2 | Very high | 86.9 | Confident | 46 Ų | 46 | 44 Ų | 44 | 32% | 0.322 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.2 | -43.5 | 175.6 | -175.9 | 0 | 0 | 0 | 0 | 111.6 | D396 E397 R403 L404 | D396-S400 WeakPolarHBondContact O-CB 3.49Å; D396-S400 PolarHBondContact O-N 3.46Å; E397-S400 WeakPolarHBondContact O-CB 3.49Å; E397-S400 PolarHBondContact O-N 3.12Å; S400-R403 WeakPolarHBondContact O-CB 3.49Å; S400-R403 PolarHBondContact O-N 2.86Å; S400-L404 WeakPolarHBondContact O-CB 3.3Å; S400-L404 VanDerWaalsContact O-CG 3.29Å; S400-L404 WeakPolarHBondContact O-CG 3.32Å; S400-L404 PolarHBondContact O-N 2.88Å |
| 401 | K | 88.9 | Confident | 86.2 | Confident | 61 Ų | 61 | 49.4 Ų | 49.4 | 27% | 0.265 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.9 | -46.8 | 179 | -173.1 | 173.8 | -178.7 | 176.3 | 0 | 112.2 | E397 A398 R403 L404 K405 E478 V479 | E397-K401 WeakPolarHBondContact O-CB 3.34Å; E397-K401 PolarHBondContact O-N 3.37Å; A398-K401 PolarHBondContact O-N 3.18Å; K401-R403 VanDerWaalsContact C-N 3.32Å; K401-R403 PolarHBondContact O-N 2.95Å; K401-L404 PolarHBondContact O-N 3.25Å; K401-K405 WeakPolarHBondContact O-CG 3.5Å; K401-K405 PolarHBondContact O-N 2.68Å; K401-E478 WeakPolarHBondContact CE-OE1 3.43Å; K401-E478 IonicContact NZ-OE1 3.26Å; K401-E478 PolarHBondContact NZ-OE1 3.36Å; K401-E478 IonicContact NZ-OE2 2.6Å; K401-V479 HydrophobicContact CD-CG2 3.9Å |
| 402 | V | 87.6 | Confident | 85.6 | Confident | 8 Ų | 8 | 54 Ų | 54 | 5% | 0.048 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62 | -41.9 | 176.6 | 169.5 | 0 | 0 | 0 | 0 | 110.9 | I364 A398 K405 S406 T469 L471 D475 | I364-V402 HydrophobicContact CG2-CG1 4.48Å; A398-V402 WeakPolarHBondContact O-CB 3.37Å; A398-V402 WeakPolarHBondContact O-CG2 3.41Å; A398-V402 PolarHBondContact O-N 3.49Å; V402-K405 PolarHBondContact O-N 2.9Å; V402-S406 PolarHBondContact O-N 3.26Å; V402-T469 HydrophobicContact CG1-CG2 3.23Å; V402-L471 HydrophobicContact CG2-CD1 3.86Å; V402-D475 HydrophobicContact CG2-CB 3.97Å; V402-D475 VanDerWaalsContact CG2-CG 3.48Å; V402-D475 WeakPolarHBondContact CG2-OD1 3.41Å |
| 403 | R | 84 | Confident | 85.2 | Confident | 70 Ų | 70 | 52.9 Ų | 52.9 | 26% | 0.264 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 174.2 | -178.5 | -171 | 179.9 | 171.7 | 2.4 | 112.7 | H361 H362 I364 S399 S400 K401 S406 H407 | H361-R403 PolarHBondContact O-NH1 3.47Å; H362-R403 VanDerWaalsContact O-CD 3.26Å; H362-R403 WeakPolarHBondContact O-CD 3.47Å; I364-R403 HydrophobicContact CG2-CB 4.46Å; S399-R403 VanDerWaalsContact O-CB 3.26Å; S399-R403 WeakPolarHBondContact O-CB 3.05Å; S399-R403 PolarHBondContact O-N 3.15Å; S400-R403 WeakPolarHBondContact O-CB 3.49Å; S400-R403 PolarHBondContact O-N 2.86Å; K401-R403 VanDerWaalsContact C-N 3.32Å; K401-R403 PolarHBondContact O-N 2.95Å; R403-S406 PolarHBondContact O-N 3.4Å; R403-S406 PolarHBondContact O-OG 3.08Å; R403-H407 PolarHBondContact O-CD2 3.4Å; R403-H407 VanDerWaalsContact O-CD2 3.26Å; R403-H407 PolarHBondContact O-N 2.9Å; R403-H407 VanDerWaalsContact O-N 3.08Å |
| 404 | L | 84.5 | Confident | 84.7 | Confident | 107 Ų | 107 | 54.7 Ų | 54.7 | 56% | 0.56 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -66.2 | -41.9 | 175.6 | -74.7 | 170.3 | 0 | 0 | 0 | 111.1 | S400 K401 S406 H407 T408 | S400-L404 WeakPolarHBondContact O-CB 3.3Å; S400-L404 VanDerWaalsContact O-CG 3.29Å; S400-L404 WeakPolarHBondContact O-CG 3.32Å; S400-L404 PolarHBondContact O-N 2.88Å; K401-L404 PolarHBondContact O-N 3.25Å; L404-S406 VanDerWaalsContact C-N 3.3Å; L404-S406 PolarHBondContact O-N 3.35Å; L404-H407 PolarHBondContact O-N 3.44Å; L404-T408 WeakPolarHBondContact O-CB 3.15Å; L404-T408 PolarHBondContact O-N 3.01Å; L404-T408 PolarHBondContact O-OG1 3.23Å |
| 405 | K | 80.2 | Confident | 84.5 | Confident | 102 Ų | 102 | 60.4 Ų | 60.4 | 44% | 0.443 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.8 | -40.5 | 174.5 | -73.1 | 178.3 | -176.7 | 176.4 | 0 | 111.4 | K401 V402 T408 E478 | K401-K405 WeakPolarHBondContact O-CG 3.5Å; K401-K405 PolarHBondContact O-N 2.68Å; V402-K405 PolarHBondContact O-N 2.9Å; K405-T408 PolarHBondContact O-N 2.79Å; K405-E478 IonicContact NZ-OE1 3.75Å; K405-E478 IonicContact NZ-OE2 3.91Å; K405-E478 PolarHBondContact NZ-OE2 3.33Å |
| 406 | S | 74.9 | Confident | 84.3 | Confident | 32 Ų | 32 | 61.1 Ų | 61.1 | 22% | 0.224 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -72.7 | -29.6 | 178.8 | 71.4 | 0 | 0 | 0 | 0 | 113.8 | V402 R403 L404 W460 Q464 | V402-S406 PolarHBondContact O-N 3.26Å; R403-S406 PolarHBondContact O-N 3.4Å; R403-S406 PolarHBondContact O-OG 3.08Å; L404-S406 VanDerWaalsContact C-N 3.3Å; L404-S406 PolarHBondContact O-N 3.35Å; S406-W460 PolarHBondContact O-NE1 2.9Å; S406-Q464 PolarHBondContact O-NE2 2.83Å |
| 407 | H | 73 | Confident | 84.1 | Confident | 96 Ų | 96 | 62.8 Ų | 62.8 | 44% | 0.444 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -85 | -17.4 | 174.6 | -75.5 | -49.3 | 0 | 0 | 0 | 114.6 | R403 L404 W460 | R403-H407 PolarHBondContact O-CD2 3.4Å; R403-H407 VanDerWaalsContact O-CD2 3.26Å; R403-H407 PolarHBondContact O-N 2.9Å; R403-H407 VanDerWaalsContact O-N 3.08Å; L404-H407 PolarHBondContact O-N 3.44Å; H407-W460 WeakPolarHBondContact O-CZ2 3.46Å |
| 408 | T | 74.6 | Confident | 84 | Confident | 70 Ų | 70 | 64.9 Ų | 64.9 | 43% | 0.429 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -75.2 | 135 | 175.8 | -56.2 | 0 | 0 | 0 | 0 | 109.4 | L404 K405 P410 | L404-T408 WeakPolarHBondContact O-CB 3.15Å; L404-T408 PolarHBondContact O-N 3.01Å; L404-T408 PolarHBondContact O-OG1 3.23Å; K405-T408 PolarHBondContact O-N 2.79Å; T408-P410 WeakPolarHBondContact O-CD 3.41Å |
| 409 | T | 72.8 | Confident | 83.9 | Confident | 42 Ų | 42 | 68.6 Ų | 68.6 | 26% | 0.258 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 124.3 | 173.7 | 48.5 | 0 | 0 | 0 | 0 | 109.2 | K414 W460 | T409-K414 WeakPolarHBondContact OG1-CE 3.05Å; T409-K414 WeakPolarHBondContact OG1-CG 3.27Å; T409-W460 HydrophobicContact CG2-CH2 4.1Å; T409-W460 HydrophobicContact CG2-CZ2 4.38Å |
| 410 | P | 76.6 | Confident | 83.9 | Confident | 52 Ų | 52 | 69.9 Ų | 69.9 | 34% | 0.338 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -49.5 | 147.2 | 175 | -28.4 | 32.8 | 0 | 0 | 0 | 111.9 | T408 N412 L413 K414 W460 | T408-P410 WeakPolarHBondContact O-CD 3.41Å; P410-N412 PolarHBondContact O-N 3.47Å; P410-L413 HydrophobicContact CG-CD1 4.08Å; P410-L413 WeakPolarHBondContact O-CB 3.28Å; P410-L413 PolarHBondContact O-N 3.32Å; P410-K414 PolarHBondContact O-N 3.35Å; P410-K414 VanDerWaalsContact O-N 3.13Å; P410-W460 HydrophobicContact CG-CG 4.08Å |
| 411 | N | 78.6 | Confident | 84.1 | Confident | 118 Ų | 118 | 73.4 Ų | 73.4 | 63% | 0.631 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -55.2 | -38.4 | 178.9 | -72.8 | -7.9 | 0 | 0 | 0 | 111.8 | L413 K414 E415 | N411-L413 VanDerWaalsContact C-N 3.34Å; N411-L413 PolarHBondContact O-N 2.83Å; N411-K414 WeakPolarHBondContact O-CB 3.48Å; N411-K414 PolarHBondContact O-N 3Å; N411-K414 VanDerWaalsContact O-N 3.12Å; N411-E415 WeakPolarHBondContact O-CG 2.96Å; N411-E415 PolarHBondContact O-N 2.76Å |
| 412 | N | 81.5 | Confident | 84.3 | Confident | 98 Ų | 98 | 76.6 Ų | 76.6 | 52% | 0.524 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -56.5 | -43.6 | 174.1 | -172.3 | 7.3 | 0 | 0 | 0 | 112.6 | P410 K414 E415 I416 | P410-N412 PolarHBondContact O-N 3.47Å; N412-K414 PolarHBondContact O-N 2.83Å; N412-E415 PolarHBondContact O-N 3.44Å; N412-I416 VanDerWaalsContact O-CG1 3.29Å; N412-I416 WeakPolarHBondContact O-CG1 3.46Å; N412-I416 PolarHBondContact O-N 2.89Å |
| 413 | L | 84.6 | Confident | 84.7 | Confident | 6 Ų | 6 | 76.3 Ų | 76.3 | 3% | 0.031 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67 | -37.3 | 176.9 | -90.1 | 161.5 | 0 | 0 | 0 | 112.3 | P410 N411 E417 Y453 A456 K457 W460 | P410-L413 HydrophobicContact CG-CD1 4.08Å; P410-L413 WeakPolarHBondContact O-CB 3.28Å; P410-L413 PolarHBondContact O-N 3.32Å; N411-L413 VanDerWaalsContact C-N 3.34Å; N411-L413 PolarHBondContact O-N 2.83Å; L413-E417 WeakPolarHBondContact O-CB 3.34Å; L413-E417 PolarHBondContact O-N 2.61Å; L413-Y453 HydrophobicContact CD2-CD2 3.71Å; L413-Y453 HydrophobicContact CD2-CE2 3.8Å; L413-Y453 HydrophobicContact CD2-CG 4.39Å; L413-A456 HydrophobicContact CD2-CB 3.83Å; L413-A456 HydrophobicContact CG-CB 4.12Å; L413-K457 HydrophobicContact CD2-CB 4.13Å; L413-W460 HydrophobicContact CD1-CB 3.82Å; L413-W460 HydrophobicContact CD1-CD2 4.32Å; L413-W460 HydrophobicContact CD1-CG 4.07Å |
| 414 | K | 84.8 | Confident | 85.1 | Confident | 89 Ų | 89 | 77.9 Ų | 77.9 | 39% | 0.387 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.6 | -40.3 | 174.5 | -70.6 | -175.7 | 179.6 | 177.9 | 0 | 112 | T409 P410 N411 N412 E417 Q418 | T409-K414 WeakPolarHBondContact OG1-CE 3.05Å; T409-K414 WeakPolarHBondContact OG1-CG 3.27Å; P410-K414 PolarHBondContact O-N 3.35Å; P410-K414 VanDerWaalsContact O-N 3.13Å; N411-K414 WeakPolarHBondContact O-CB 3.48Å; N411-K414 PolarHBondContact O-N 3Å; N411-K414 VanDerWaalsContact O-N 3.12Å; N412-K414 PolarHBondContact O-N 2.83Å; K414-E417 PolarHBondContact O-N 2.65Å; K414-Q418 WeakPolarHBondContact O-CB 3.35Å; K414-Q418 VanDerWaalsContact O-CG 3.3Å; K414-Q418 WeakPolarHBondContact O-CG 3.5Å; K414-Q418 PolarHBondContact O-N 3.1Å |
| 415 | E | 89.5 | Confident | 85.5 | Confident | 120 Ų | 120 | 77.3 Ų | 77.3 | 56% | 0.561 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.4 | -45.8 | 176.5 | -74.4 | 169.4 | -164.6 | 0 | 0 | 111 | N411 N412 E417 Q418 E419 | N411-E415 WeakPolarHBondContact O-CG 2.96Å; N411-E415 PolarHBondContact O-N 2.76Å; N412-E415 PolarHBondContact O-N 3.44Å; E415-E417 PolarHBondContact O-N 3.28Å; E415-Q418 PolarHBondContact O-N 2.85Å; E415-E419 PolarHBondContact O-N 3.1Å |
| 416 | I | 90 | Very high | 86.1 | Confident | 20 Ų | 20 | 76.3 Ų | 76.3 | 10% | 0.103 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63 | -42.1 | 175.5 | -62.4 | 165.3 | 0 | 0 | 0 | 110.9 | N412 E419 I420 Y453 A456 | N412-I416 VanDerWaalsContact O-CG1 3.29Å; N412-I416 WeakPolarHBondContact O-CG1 3.46Å; N412-I416 PolarHBondContact O-N 2.89Å; I416-E419 PolarHBondContact O-N 3.34Å; I416-I420 HydrophobicContact CG2-CD1 3.99Å; I416-I420 HydrophobicContact CG2-CG1 4.41Å; I416-I420 VanDerWaalsContact O-CG1 3.31Å; I416-I420 WeakPolarHBondContact O-CG1 3.27Å; I416-I420 PolarHBondContact O-N 3.11Å; I416-Y453 HydrophobicContact CG2-CD2 4.27Å; I416-A456 HydrophobicContact CD1-CB 4.42Å |
| 417 | E | 89.4 | Confident | 86.9 | Confident | 94 Ų | 94 | 76.6 Ų | 76.6 | 44% | 0.439 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 178.1 | -172.6 | 166.4 | -155.5 | 0 | 0 | 112.2 | L413 K414 E415 E419 I420 E421 Y453 | L413-E417 WeakPolarHBondContact O-CB 3.34Å; L413-E417 PolarHBondContact O-N 2.61Å; K414-E417 PolarHBondContact O-N 2.65Å; E415-E417 PolarHBondContact O-N 3.28Å; E417-E419 VanDerWaalsContact C-N 3.31Å; E417-E419 PolarHBondContact O-N 3.46Å; E417-I420 PolarHBondContact O-N 2.7Å; E417-E421 PolarHBondContact O-N 3.19Å; E417-Y453 HydrophobicContact CB-CD2 4.48Å; E417-Y453 HydrophobicContact CB-CE2 4.11Å |
| 418 | Q | 92 | Very high | 87.7 | Confident | 131 Ų | 131 | 75 Ų | 75 | 61% | 0.612 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -62.1 | -38.7 | 172.6 | -74 | 176.1 | -2.2 | 0 | 0 | 111.8 | K414 E415 E421 K422 | K414-Q418 WeakPolarHBondContact O-CB 3.35Å; K414-Q418 VanDerWaalsContact O-CG 3.3Å; K414-Q418 WeakPolarHBondContact O-CG 3.5Å; K414-Q418 PolarHBondContact O-N 3.1Å; E415-Q418 PolarHBondContact O-N 2.85Å; Q418-E421 PolarHBondContact O-N 2.88Å; Q418-K422 WeakPolarHBondContact O-CB 3.46Å; Q418-K422 PolarHBondContact O-N 3.33Å |
| 419 | E | 92 | Very high | 88.6 | Confident | 79 Ų | 79 | 74.4 Ų | 74.4 | 37% | 0.369 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -69.2 | -38.6 | 177.5 | -151.6 | -177.3 | 173.5 | 0 | 0 | 111.9 | E415 I416 E417 K422 V423 K445 L449 | E415-E419 PolarHBondContact O-N 3.1Å; I416-E419 PolarHBondContact O-N 3.34Å; E417-E419 VanDerWaalsContact C-N 3.31Å; E417-E419 PolarHBondContact O-N 3.46Å; E419-K422 PolarHBondContact O-N 2.91Å; E419-V423 WeakPolarHBondContact O-CB 3.34Å; E419-V423 VanDerWaalsContact O-CG2 3.29Å; E419-V423 WeakPolarHBondContact O-CG2 3.4Å; E419-V423 PolarHBondContact O-N 3.13Å; E419-K445 IonicContact OE1-NZ 3.25Å; E419-K445 PolarHBondContact OE1-NZ 3.36Å; E419-L449 HydrophobicContact CB-CD1 4.23Å; E419-L449 HydrophobicContact CG-CD1 4.06Å |
| 420 | I | 93 | Very high | 89.5 | Confident | 26 Ų | 26 | 72.8 Ų | 72.8 | 13% | 0.133 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 172.9 | -69.8 | 167.1 | 0 | 0 | 0 | 110.6 | I416 E417 V423 K424 L449 E450 Y453 | I416-I420 HydrophobicContact CG2-CD1 3.99Å; I416-I420 HydrophobicContact CG2-CG1 4.41Å; I416-I420 VanDerWaalsContact O-CG1 3.31Å; I416-I420 WeakPolarHBondContact O-CG1 3.27Å; I416-I420 PolarHBondContact O-N 3.11Å; E417-I420 PolarHBondContact O-N 2.7Å; I420-V423 PolarHBondContact O-N 3.23Å; I420-K424 VanDerWaalsContact O-CB 3.29Å; I420-K424 WeakPolarHBondContact O-CB 3.44Å; I420-K424 PolarHBondContact O-N 3.28Å; I420-L449 HydrophobicContact CD1-CB 4.22Å; I420-L449 HydrophobicContact CG1-CB 3.54Å; I420-L449 HydrophobicContact CG1-CD1 4.34Å; I420-E450 HydrophobicContact CD1-CG 4.27Å; I420-E450 HydrophobicContact CG2-CG 4.45Å; I420-Y453 HydrophobicContact CD1-CD2 4.39Å; I420-Y453 HydrophobicContact CD1-CG 4.12Å |
| 421 | E | 93.1 | Very high | 90.2 | Very high | 120 Ų | 120 | 73.7 Ų | 73.7 | 56% | 0.561 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -63.2 | -43.1 | 178.8 | -171.5 | 174.1 | -164.4 | 0 | 0 | 111.6 | E417 Q418 K424 N425 | E417-E421 PolarHBondContact O-N 3.19Å; Q418-E421 PolarHBondContact O-N 2.88Å; E421-K424 PolarHBondContact O-N 3.12Å; E421-N425 VanDerWaalsContact O-CG 3.32Å; E421-N425 PolarHBondContact O-N 2.79Å; E421-N425 PolarHBondContact O-ND2 3.07Å |
| 422 | K | 94.4 | Very high | 90.7 | Very high | 129 Ų | 129 | 75.9 Ų | 75.9 | 56% | 0.561 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -59.6 | -49.5 | 174.6 | -175.1 | 177.8 | 176 | -178.2 | 0 | 111.7 | Q418 E419 K424 N425 E426 | Q418-K422 WeakPolarHBondContact O-CB 3.46Å; Q418-K422 PolarHBondContact O-N 3.33Å; E419-K422 PolarHBondContact O-N 2.91Å; K422-K424 VanDerWaalsContact C-N 3.3Å; K422-K424 PolarHBondContact O-N 3.27Å; K422-N425 PolarHBondContact O-N 2.9Å; K422-E426 WeakPolarHBondContact CE-OE1 3.4Å; K422-E426 WeakPolarHBondContact O-CG 3.42Å; K422-E426 PolarHBondContact O-N 3.09Å |
| 423 | V | 94.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 74 Ų | 74 | 1% | 0.006 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.3 | -36.2 | 179 | 172.6 | 0 | 0 | 0 | 0 | 111.4 | E419 I420 E426 K427 L442 K445 Q446 L449 | E419-V423 WeakPolarHBondContact O-CB 3.34Å; E419-V423 VanDerWaalsContact O-CG2 3.29Å; E419-V423 WeakPolarHBondContact O-CG2 3.4Å; E419-V423 PolarHBondContact O-N 3.13Å; I420-V423 PolarHBondContact O-N 3.23Å; V423-E426 PolarHBondContact O-N 3.05Å; V423-K427 VanDerWaalsContact O-CB 3.23Å; V423-K427 WeakPolarHBondContact O-CB 3.36Å; V423-K427 PolarHBondContact O-N 3.14Å; V423-L442 HydrophobicContact CG1-CB 4.34Å; V423-L442 HydrophobicContact CG1-CD2 4.24Å; V423-L442 VanDerWaalsContact CG1-O 3.22Å; V423-L442 WeakPolarHBondContact CG1-O 3.36Å; V423-K445 HydrophobicContact CG1-CB 4.3Å; V423-K445 HydrophobicContact CG1-CG 4.49Å; V423-K445 HydrophobicContact CG2-CD 3.79Å; V423-K445 HydrophobicContact CG2-CG 4.26Å; V423-Q446 HydrophobicContact CG1-CB 3.91Å; V423-L449 HydrophobicContact CB-CD1 4.45Å; V423-L449 HydrophobicContact CG2-CD1 3.84Å |
| 424 | K | 92.8 | Very high | 91.4 | Very high | 103 Ų | 103 | 80.9 Ų | 80.9 | 45% | 0.448 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.8 | -45.7 | 175.7 | -174.2 | -176.6 | 175.7 | -171.3 | 0 | 111.5 | I420 E421 K422 K427 D428 | I420-K424 VanDerWaalsContact O-CB 3.29Å; I420-K424 WeakPolarHBondContact O-CB 3.44Å; I420-K424 PolarHBondContact O-N 3.28Å; E421-K424 PolarHBondContact O-N 3.12Å; K422-K424 VanDerWaalsContact C-N 3.3Å; K422-K424 PolarHBondContact O-N 3.27Å; K424-K427 PolarHBondContact O-N 2.69Å; K424-D428 WeakPolarHBondContact O-CB 3.25Å; K424-D428 VanDerWaalsContact O-CG 3.27Å; K424-D428 PolarHBondContact O-N 3.47Å |
| 425 | N | 92.8 | Very high | 91.7 | Very high | 96 Ų | 96 | 81.3 Ų | 81.3 | 51% | 0.513 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64 | -43 | 176.7 | -70 | -21.3 | 0 | 0 | 0 | 111.8 | E421 K422 K427 D428 A429 | E421-N425 VanDerWaalsContact O-CG 3.32Å; E421-N425 PolarHBondContact O-N 2.79Å; E421-N425 PolarHBondContact O-ND2 3.07Å; K422-N425 PolarHBondContact O-N 2.9Å; N425-K427 VanDerWaalsContact C-N 3.34Å; N425-K427 PolarHBondContact O-N 3.39Å; N425-D428 PolarHBondContact O-N 2.99Å; N425-A429 WeakPolarHBondContact O-CB 3.43Å; N425-A429 PolarHBondContact O-N 3.26Å |
| 426 | E | 92.9 | Very high | 91.6 | Very high | 80 Ų | 80 | 82.6 Ų | 82.6 | 37% | 0.374 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 174.8 | -72.5 | 172.6 | -175.4 | 0 | 0 | 111.4 | K422 V423 A429 A430 L442 | K422-E426 WeakPolarHBondContact CE-OE1 3.4Å; K422-E426 WeakPolarHBondContact O-CG 3.42Å; K422-E426 PolarHBondContact O-N 3.09Å; V423-E426 PolarHBondContact O-N 3.05Å; E426-A429 PolarHBondContact O-N 3.41Å; E426-A430 WeakPolarHBondContact O-CB 3.1Å; E426-A430 PolarHBondContact O-N 3.42Å; E426-L442 HydrophobicContact CB-CD1 3.88Å; E426-L442 HydrophobicContact CB-CD2 4.17Å |
| 427 | K | 92 | Very high | 91.5 | Very high | 38 Ų | 38 | 89.4 Ų | 89.4 | 17% | 0.165 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -65 | -47.1 | 177.9 | -176.7 | -158.1 | 70.4 | -170.5 | 0 | 111.2 | V423 K424 N425 A429 A430 V431 L442 R443 | V423-K427 VanDerWaalsContact O-CB 3.23Å; V423-K427 WeakPolarHBondContact O-CB 3.36Å; V423-K427 PolarHBondContact O-N 3.14Å; K424-K427 PolarHBondContact O-N 2.69Å; N425-K427 VanDerWaalsContact C-N 3.34Å; N425-K427 PolarHBondContact O-N 3.39Å; K427-A429 VanDerWaalsContact C-N 3.29Å; K427-A429 PolarHBondContact O-N 2.7Å; K427-A430 PolarHBondContact O-N 3.41Å; K427-V431 VanDerWaalsContact O-CG2 3.31Å; K427-V431 WeakPolarHBondContact O-CG2 3.41Å; K427-V431 PolarHBondContact O-N 2.77Å; K427-L442 HydrophobicContact CB-CB 3.88Å; K427-L442 HydrophobicContact CB-CD1 4.41Å; K427-L442 HydrophobicContact CG-CB 4.24Å; K427-R443 HydrophobicContact CD-CB 4.28Å |
| 428 | D | 90.7 | Very high | 91.4 | Very high | 62 Ų | 62 | 88.7 Ų | 88.7 | 33% | 0.332 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.7 | -38.8 | 180 | -68.4 | -12.7 | 0 | 0 | 0 | 110.4 | K424 N425 V431 H432 | K424-D428 WeakPolarHBondContact O-CB 3.25Å; K424-D428 VanDerWaalsContact O-CG 3.27Å; K424-D428 PolarHBondContact O-N 3.47Å; N425-D428 PolarHBondContact O-N 2.99Å; D428-V431 PolarHBondContact O-N 3.29Å; D428-H432 WeakPolarHBondContact O-CB 3.33Å; D428-H432 PolarHBondContact O-CD2 2.85Å; D428-H432 PolarHBondContact O-N 3.47Å |
| 429 | A | 92.8 | Very high | 91.2 | Very high | 58 Ų | 58 | 82.9 Ų | 82.9 | 48% | 0.479 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.3 | -44.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | N425 E426 K427 V431 H432 A433 | N425-A429 WeakPolarHBondContact O-CB 3.43Å; N425-A429 PolarHBondContact O-N 3.26Å; E426-A429 PolarHBondContact O-N 3.41Å; K427-A429 VanDerWaalsContact C-N 3.29Å; K427-A429 PolarHBondContact O-N 2.7Å; A429-V431 PolarHBondContact O-N 3.17Å; A429-H432 PolarHBondContact O-N 3.16Å; A429-A433 WeakPolarHBondContact O-CB 3.49Å; A429-A433 PolarHBondContact O-N 3.02Å |
| 430 | A | 91.9 | Very high | 91.1 | Very high | 8 Ų | 8 | 81.2 Ų | 81.2 | 7% | 0.066 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -64.2 | -38.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E426 K427 A433 Q434 E435 N438 A439 L442 | E426-A430 WeakPolarHBondContact O-CB 3.1Å; E426-A430 PolarHBondContact O-N 3.42Å; K427-A430 PolarHBondContact O-N 3.41Å; A430-A433 CarbonylContact O-C 3.49Å; A430-A433 PolarHBondContact O-N 2.99Å; A430-Q434 PolarHBondContact O-N 3.35Å; A430-Q434 VanDerWaalsContact O-N 3.16Å; A430-E435 HydrophobicContact CB-CB 4.44Å; A430-E435 PolarHBondContact O-N 3.23Å; A430-N438 HydrophobicContact CB-CB 4.37Å; A430-A439 HydrophobicContact CB-CB 4.08Å; A430-L442 HydrophobicContact CB-CD1 4.18Å |
| 431 | V | 90.6 | Very high | 91.1 | Very high | 71 Ų | 71 | 85 Ų | 85 | 43% | 0.43 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.6 | -44 | 173.6 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | K427 D428 A429 A433 Q434 A439 | K427-V431 VanDerWaalsContact O-CG2 3.31Å; K427-V431 WeakPolarHBondContact O-CG2 3.41Å; K427-V431 PolarHBondContact O-N 2.77Å; D428-V431 PolarHBondContact O-N 3.29Å; A429-V431 PolarHBondContact O-N 3.17Å; V431-A433 VanDerWaalsContact C-N 3.31Å; V431-A433 PolarHBondContact O-N 2.87Å; V431-Q434 PolarHBondContact O-N 3.21Å; V431-Q434 VanDerWaalsContact O-N 3.14Å; V431-A439 HydrophobicContact CG2-CB 3.67Å |
| 432 | H | 89.6 | Confident | 91.1 | Very high | 165 Ų | 165 | 80.8 Ų | 80.8 | 76% | 0.764 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -63.7 | -35.2 | 175.4 | -78.8 | -58.4 | 0 | 0 | 0 | 112.8 | D428 A429 Q434 | D428-H432 WeakPolarHBondContact O-CB 3.33Å; D428-H432 PolarHBondContact O-CD2 2.85Å; D428-H432 PolarHBondContact O-N 3.47Å; A429-H432 PolarHBondContact O-N 3.16Å; H432-Q434 PolarHBondContact O-N 2.92Å |
| 433 | A | 92.9 | Very high | 90.8 | Very high | 59 Ų | 59 | 81.9 Ų | 81.9 | 49% | 0.488 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -0.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | A429 A430 V431 E435 | A429-A433 WeakPolarHBondContact O-CB 3.49Å; A429-A433 PolarHBondContact O-N 3.02Å; A430-A433 CarbonylContact O-C 3.49Å; A430-A433 PolarHBondContact O-N 2.99Å; V431-A433 VanDerWaalsContact C-N 3.31Å; V431-A433 PolarHBondContact O-N 2.87Å; A433-E435 HydrophobicContact CB-CG 4.15Å; A433-E435 PolarHBondContact O-N 3.39Å |
| 434 | Q | 88 | Confident | 90.7 | Very high | 149 Ų | 149 | 86.2 Ų | 86.2 | 70% | 0.696 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | 22 | -175.4 | -54.1 | -177.5 | -13.2 | 0 | 0 | 114.4 | A430 V431 H432 F436 | A430-Q434 PolarHBondContact O-N 3.35Å; A430-Q434 VanDerWaalsContact O-N 3.16Å; V431-Q434 PolarHBondContact O-N 3.21Å; V431-Q434 VanDerWaalsContact O-N 3.14Å; H432-Q434 PolarHBondContact O-N 2.92Å; Q434-F436 VanDerWaalsContact C-N 3.32Å; Q434-F436 HydrophobicContact CB-CE2 4.09Å; Q434-F436 HydrophobicContact CB-CZ 4.27Å; Q434-F436 VanDerWaalsContact O-CD2 3.29Å; Q434-F436 WeakPolarHBondContact O-CD2 3.17Å; Q434-F436 PolarHBondContact O-N 2.89Å; Q434-F436 VanDerWaalsContact O-N 3.09Å |
| 435 | E | 91 | Very high | 90.6 | Very high | 99 Ų | 99 | 85.5 Ų | 85.5 | 46% | 0.463 | 44% | 0.439 | S | S | . | . | trans | -85.4 | 71.3 | 175 | -63.8 | -176.9 | -177.8 | 0 | 0 | 110.4 | A430 A433 E437 N438 A439 | A430-E435 HydrophobicContact CB-CB 4.44Å; A430-E435 PolarHBondContact O-N 3.23Å; A433-E435 HydrophobicContact CB-CG 4.15Å; A433-E435 PolarHBondContact O-N 3.39Å; E435-E437 VanDerWaalsContact C-N 3.32Å; E435-E437 PolarHBondContact O-N 3.19Å; E435-N438 HydrophobicContact CB-CB 4.11Å; E435-N438 PolarHBondContact O-N 3.26Å; E435-N438 PolarHBondContact OE2-ND2 2.69Å; E435-A439 WeakPolarHBondContact O-CB 3.32Å; E435-A439 PolarHBondContact O-N 2.79Å | ||
| 436 | F | 88.3 | Confident | 90.6 | Very high | 147 Ų | 147 | 82 Ų | 82 | 65% | 0.645 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -62.3 | -33 | -171.3 | -60.9 | -69.6 | 0 | 0 | 0 | 114.4 | Q434 A440 | Q434-F436 VanDerWaalsContact C-N 3.32Å; Q434-F436 HydrophobicContact CB-CE2 4.09Å; Q434-F436 HydrophobicContact CB-CZ 4.27Å; Q434-F436 VanDerWaalsContact O-CD2 3.29Å; Q434-F436 WeakPolarHBondContact O-CD2 3.17Å; Q434-F436 PolarHBondContact O-N 2.89Å; Q434-F436 VanDerWaalsContact O-N 3.09Å; F436-A440 WeakPolarHBondContact O-CB 3.49Å; F436-A440 PolarHBondContact O-N 2.95Å |
| 437 | E | 87.6 | Confident | 90.6 | Very high | 162 Ų | 162 | 81.9 Ų | 81.9 | 76% | 0.757 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -67.4 | -45.5 | 176.1 | -72 | -171.5 | 167.6 | 0 | 0 | 111.8 | E435 A439 A440 N441 | E435-E437 VanDerWaalsContact C-N 3.32Å; E435-E437 PolarHBondContact O-N 3.19Å; E437-A439 VanDerWaalsContact C-N 3.33Å; E437-A439 PolarHBondContact O-N 2.68Å; E437-A440 WeakPolarHBondContact O-CB 3.39Å; E437-A440 PolarHBondContact O-N 2.95Å; E437-N441 PolarHBondContact O-N 2.81Å; E437-N441 PolarHBondContact O-ND2 3.22Å |
| 438 | N | 86.8 | Confident | 90.6 | Very high | 80 Ų | 80 | 86.9 Ų | 86.9 | 43% | 0.428 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 175.7 | -71.9 | -18.8 | 0 | 0 | 0 | 110.8 | A430 E435 A440 N441 L442 | A430-N438 HydrophobicContact CB-CB 4.37Å; E435-N438 HydrophobicContact CB-CB 4.11Å; E435-N438 PolarHBondContact O-N 3.26Å; E435-N438 PolarHBondContact OE2-ND2 2.69Å; N438-A440 VanDerWaalsContact C-N 3.3Å; N438-A440 PolarHBondContact O-N 2.8Å; N438-N441 PolarHBondContact O-N 2.92Å; N438-L442 WeakPolarHBondContact O-CB 3.41Å; N438-L442 VanDerWaalsContact O-CG 3.31Å; N438-L442 WeakPolarHBondContact O-CG 3.44Å; N438-L442 PolarHBondContact O-N 2.91Å |
| 439 | A | 88.5 | Confident | 90.7 | Very high | 9 Ų | 9 | 84.3 Ų | 84.3 | 7% | 0.074 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -60.7 | -36.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A430 V431 E435 E437 R443 | A430-A439 HydrophobicContact CB-CB 4.08Å; V431-A439 HydrophobicContact CG2-CB 3.67Å; E435-A439 WeakPolarHBondContact O-CB 3.32Å; E435-A439 PolarHBondContact O-N 2.79Å; E437-A439 VanDerWaalsContact C-N 3.33Å; E437-A439 PolarHBondContact O-N 2.68Å; A439-R443 VanDerWaalsContact O-CB 3.3Å; A439-R443 WeakPolarHBondContact O-CB 3.15Å; A439-R443 PolarHBondContact O-N 3.17Å |
| 440 | A | 89.5 | Confident | 90.7 | Very high | 44 Ų | 44 | 85.2 Ų | 85.2 | 36% | 0.364 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.9 | -46.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F436 E437 N438 L442 R443 D444 | F436-A440 WeakPolarHBondContact O-CB 3.49Å; F436-A440 PolarHBondContact O-N 2.95Å; E437-A440 WeakPolarHBondContact O-CB 3.39Å; E437-A440 PolarHBondContact O-N 2.95Å; N438-A440 VanDerWaalsContact C-N 3.3Å; N438-A440 PolarHBondContact O-N 2.8Å; A440-L442 VanDerWaalsContact C-N 3.34Å; A440-L442 PolarHBondContact O-N 3.02Å; A440-R443 WeakPolarHBondContact O-CB 3.28Å; A440-R443 PolarHBondContact O-N 2.88Å; A440-R443 VanDerWaalsContact O-N 3.16Å; A440-D444 PolarHBondContact O-N 3.01Å |
| 441 | N | 92 | Very high | 90.7 | Very high | 106 Ų | 106 | 91.1 Ų | 91.1 | 57% | 0.567 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -60.6 | -42.7 | 176 | -71.1 | -28.8 | 0 | 0 | 0 | 112 | E437 N438 D444 K445 | E437-N441 PolarHBondContact O-N 2.81Å; E437-N441 PolarHBondContact O-ND2 3.22Å; N438-N441 PolarHBondContact O-N 2.92Å; N441-D444 PolarHBondContact O-N 3.41Å; N441-K445 PolarHBondContact O-N 3.16Å |
| 442 | L | 92.7 | Very high | 90.7 | Very high | 31 Ų | 31 | 91.7 Ų | 91.7 | 16% | 0.162 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -67.6 | -35.3 | 176.2 | -70.5 | 167.6 | 0 | 0 | 0 | 111.9 | V423 E426 K427 A430 N438 A440 K445 Q446 | V423-L442 HydrophobicContact CG1-CB 4.34Å; V423-L442 HydrophobicContact CG1-CD2 4.24Å; V423-L442 VanDerWaalsContact CG1-O 3.22Å; V423-L442 WeakPolarHBondContact CG1-O 3.36Å; E426-L442 HydrophobicContact CB-CD1 3.88Å; E426-L442 HydrophobicContact CB-CD2 4.17Å; K427-L442 HydrophobicContact CB-CB 3.88Å; K427-L442 HydrophobicContact CB-CD1 4.41Å; K427-L442 HydrophobicContact CG-CB 4.24Å; A430-L442 HydrophobicContact CB-CD1 4.18Å; N438-L442 WeakPolarHBondContact O-CB 3.41Å; N438-L442 VanDerWaalsContact O-CG 3.31Å; N438-L442 WeakPolarHBondContact O-CG 3.44Å; N438-L442 PolarHBondContact O-N 2.91Å; A440-L442 VanDerWaalsContact C-N 3.34Å; A440-L442 PolarHBondContact O-N 3.02Å; L442-K445 PolarHBondContact O-N 2.98Å; L442-Q446 WeakPolarHBondContact O-CB 3.41Å; L442-Q446 PolarHBondContact O-N 3.3Å |
| 443 | R | 89.1 | Confident | 90.7 | Very high | 151 Ų | 151 | 85.9 Ų | 85.9 | 57% | 0.57 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -62.4 | -44.9 | 172.9 | -169 | -173.4 | 84.2 | 144.9 | 5.2 | 111.4 | K427 A439 A440 K445 Q446 T447 | K427-R443 HydrophobicContact CD-CB 4.28Å; A439-R443 VanDerWaalsContact O-CB 3.3Å; A439-R443 WeakPolarHBondContact O-CB 3.15Å; A439-R443 PolarHBondContact O-N 3.17Å; A440-R443 WeakPolarHBondContact O-CB 3.28Å; A440-R443 PolarHBondContact O-N 2.88Å; A440-R443 VanDerWaalsContact O-N 3.16Å; R443-K445 VanDerWaalsContact C-N 3.34Å; R443-Q446 WeakPolarHBondContact O-CB 3.48Å; R443-Q446 PolarHBondContact O-N 3.4Å; R443-T447 PolarHBondContact O-N 2.98Å; R443-T447 PolarHBondContact O-OG1 3.25Å |
| 444 | D | 91.8 | Very high | 90.6 | Very high | 92 Ų | 92 | 89.1 Ų | 89.1 | 49% | 0.492 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.2 | -37.7 | 178.9 | -67.6 | -12.9 | 0 | 0 | 0 | 111.2 | A440 N441 T447 K448 | A440-D444 PolarHBondContact O-N 3.01Å; N441-D444 PolarHBondContact O-N 3.41Å; D444-T447 PolarHBondContact O-N 3.04Å; D444-K448 WeakPolarHBondContact O-CB 3.47Å; D444-K448 PolarHBondContact O-N 2.98Å |
| 445 | K | 92.1 | Very high | 90.6 | Very high | 88 Ų | 88 | 87 Ų | 87 | 38% | 0.383 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.4 | -44.9 | 170.4 | -170.3 | 179.9 | 177.9 | -166.7 | 0 | 111.3 | E419 V423 N441 L442 R443 K448 L449 | E419-K445 IonicContact OE1-NZ 3.25Å; E419-K445 PolarHBondContact OE1-NZ 3.36Å; V423-K445 HydrophobicContact CG1-CB 4.3Å; V423-K445 HydrophobicContact CG1-CG 4.49Å; V423-K445 HydrophobicContact CG2-CD 3.79Å; V423-K445 HydrophobicContact CG2-CG 4.26Å; N441-K445 PolarHBondContact O-N 3.16Å; L442-K445 PolarHBondContact O-N 2.98Å; R443-K445 VanDerWaalsContact C-N 3.34Å; K445-K448 PolarHBondContact O-N 3.41Å; K445-L449 HydrophobicContact CG-CD1 4.21Å; K445-L449 WeakPolarHBondContact O-CG 3.32Å; K445-L449 PolarHBondContact O-N 3.35Å |
| 446 | Q | 91.6 | Very high | 90.4 | Very high | 23 Ų | 23 | 83.1 Ų | 83.1 | 11% | 0.107 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -58.2 | -51.3 | 176.3 | -173.2 | -168.3 | -21.8 | 0 | 0 | 110.6 | V423 L442 R443 K448 L449 E450 | V423-Q446 HydrophobicContact CG1-CB 3.91Å; L442-Q446 WeakPolarHBondContact O-CB 3.41Å; L442-Q446 PolarHBondContact O-N 3.3Å; R443-Q446 WeakPolarHBondContact O-CB 3.48Å; R443-Q446 PolarHBondContact O-N 3.4Å; Q446-K448 VanDerWaalsContact C-N 3.28Å; Q446-K448 PolarHBondContact O-N 2.99Å; Q446-L449 PolarHBondContact O-N 3.46Å; Q446-E450 HydrophobicContact CG-CG 4.36Å; Q446-E450 PolarHBondContact NE2-OE1 2.96Å; Q446-E450 WeakPolarHBondContact O-CB 3.31Å; Q446-E450 WeakPolarHBondContact O-CG 3.38Å; Q446-E450 PolarHBondContact O-N 2.96Å |
| 447 | T | 92.2 | Very high | 90.3 | Very high | 78 Ų | 78 | 79.2 Ų | 79.2 | 48% | 0.479 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.7 | -36.3 | 179.6 | -57.8 | 0 | 0 | 0 | 0 | 112.1 | R443 D444 K451 | R443-T447 PolarHBondContact O-N 2.98Å; R443-T447 PolarHBondContact O-OG1 3.25Å; D444-T447 PolarHBondContact O-N 3.04Å; T447-K451 WeakPolarHBondContact O-CB 3.4Å; T447-K451 PolarHBondContact O-N 3.09Å |
| 448 | K | 93.2 | Very high | 90.1 | Very high | 143 Ų | 143 | 75.3 Ų | 75.3 | 62% | 0.622 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -65.9 | -45.5 | 174.7 | -171.1 | -179.6 | 179 | -175.6 | 0 | 111.9 | D444 K445 Q446 K451 Q452 | D444-K448 WeakPolarHBondContact O-CB 3.47Å; D444-K448 PolarHBondContact O-N 2.98Å; K445-K448 PolarHBondContact O-N 3.41Å; Q446-K448 VanDerWaalsContact C-N 3.28Å; Q446-K448 PolarHBondContact O-N 2.99Å; K448-K451 PolarHBondContact O-N 3.34Å; K448-Q452 WeakPolarHBondContact O-CG 3.27Å; K448-Q452 PolarHBondContact O-N 3.05Å |
| 449 | L | 92.8 | Very high | 89.8 | Confident | 8 Ų | 8 | 78.4 Ų | 78.4 | 4% | 0.042 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66 | -40.3 | 176.7 | -72.1 | 171.1 | 0 | 0 | 0 | 111.7 | E419 I420 V423 K445 Q446 K451 Q452 Y453 | E419-L449 HydrophobicContact CB-CD1 4.23Å; E419-L449 HydrophobicContact CG-CD1 4.06Å; I420-L449 HydrophobicContact CD1-CB 4.22Å; I420-L449 HydrophobicContact CG1-CB 3.54Å; I420-L449 HydrophobicContact CG1-CD1 4.34Å; V423-L449 HydrophobicContact CB-CD1 4.45Å; V423-L449 HydrophobicContact CG2-CD1 3.84Å; K445-L449 HydrophobicContact CG-CD1 4.21Å; K445-L449 WeakPolarHBondContact O-CG 3.32Å; K445-L449 PolarHBondContact O-N 3.35Å; Q446-L449 PolarHBondContact O-N 3.46Å; L449-K451 VanDerWaalsContact C-N 3.31Å; L449-K451 PolarHBondContact O-N 3.32Å; L449-Q452 PolarHBondContact O-N 3.42Å; L449-Y453 WeakPolarHBondContact O-CB 3.1Å; L449-Y453 PolarHBondContact O-N 2.88Å |
| 450 | E | 91.5 | Very high | 89.3 | Confident | 77 Ų | 77 | 80.1 Ų | 80.1 | 36% | 0.36 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.4 | -41.3 | 174.7 | -77.2 | 174.5 | 172.3 | 0 | 0 | 111.3 | I420 Q446 Y453 E454 | I420-E450 HydrophobicContact CD1-CG 4.27Å; I420-E450 HydrophobicContact CG2-CG 4.45Å; Q446-E450 HydrophobicContact CG-CG 4.36Å; Q446-E450 PolarHBondContact NE2-OE1 2.96Å; Q446-E450 WeakPolarHBondContact O-CB 3.31Å; Q446-E450 WeakPolarHBondContact O-CG 3.38Å; Q446-E450 PolarHBondContact O-N 2.96Å; E450-Y453 PolarHBondContact O-N 3.36Å; E450-E454 WeakPolarHBondContact O-CG 3.28Å; E450-E454 PolarHBondContact O-N 2.98Å |
| 451 | K | 92.5 | Very high | 88.6 | Confident | 132 Ų | 132 | 81.6 Ų | 81.6 | 57% | 0.574 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -64.1 | -45 | 174.3 | -171.9 | 179.8 | 175.9 | -172.9 | 0 | 112 | T447 K448 L449 Y453 E454 E455 | T447-K451 WeakPolarHBondContact O-CB 3.4Å; T447-K451 PolarHBondContact O-N 3.09Å; K448-K451 PolarHBondContact O-N 3.34Å; L449-K451 VanDerWaalsContact C-N 3.31Å; L449-K451 PolarHBondContact O-N 3.32Å; K451-Y453 VanDerWaalsContact C-N 3.31Å; K451-Y453 PolarHBondContact O-N 2.74Å; K451-E454 PolarHBondContact O-N 3.38Å; K451-E455 WeakPolarHBondContact CE-OE1 3.48Å; K451-E455 WeakPolarHBondContact O-CG 3.15Å; K451-E455 PolarHBondContact O-N 3.42Å |
| 452 | Q | 90.3 | Very high | 87.8 | Confident | 82 Ų | 82 | 82.1 Ų | 82.1 | 38% | 0.383 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.9 | -40.2 | 175.4 | -73.6 | 177.3 | -28.8 | 0 | 0 | 111.9 | K448 L449 E455 A456 | K448-Q452 WeakPolarHBondContact O-CG 3.27Å; K448-Q452 PolarHBondContact O-N 3.05Å; L449-Q452 PolarHBondContact O-N 3.42Å; Q452-E455 PolarHBondContact O-N 3.48Å; Q452-A456 WeakPolarHBondContact O-CB 3.23Å; Q452-A456 PolarHBondContact O-N 2.79Å |
| 453 | Y | 91 | Very high | 86.6 | Confident | 43 Ų | 43 | 83.5 Ų | 83.5 | 17% | 0.169 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 174.4 | 178.2 | -92.8 | 0 | 0 | 0 | 111.2 | L413 I416 E417 I420 L449 E450 K451 K457 | L413-Y453 HydrophobicContact CD2-CD2 3.71Å; L413-Y453 HydrophobicContact CD2-CE2 3.8Å; L413-Y453 HydrophobicContact CD2-CG 4.39Å; I416-Y453 HydrophobicContact CG2-CD2 4.27Å; E417-Y453 HydrophobicContact CB-CD2 4.48Å; E417-Y453 HydrophobicContact CB-CE2 4.11Å; I420-Y453 HydrophobicContact CD1-CD2 4.39Å; I420-Y453 HydrophobicContact CD1-CG 4.12Å; L449-Y453 WeakPolarHBondContact O-CB 3.1Å; L449-Y453 PolarHBondContact O-N 2.88Å; E450-Y453 PolarHBondContact O-N 3.36Å; K451-Y453 VanDerWaalsContact C-N 3.31Å; K451-Y453 PolarHBondContact O-N 2.74Å; Y453-K457 HydrophobicContact CD1-CD 4.32Å; Y453-K457 HydrophobicContact CE1-CD 3.62Å; Y453-K457 WeakPolarHBondContact O-CB 3.45Å; Y453-K457 PolarHBondContact O-N 3.06Å; Y453-K457 PolarHBondContact OH-NZ 2.63Å |
| 454 | E | 89.2 | Confident | 85.4 | Confident | 128 Ų | 128 | 78 Ų | 78 | 60% | 0.598 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -63.3 | -42 | 175.7 | -75.8 | -161.8 | 155.6 | 0 | 0 | 112.7 | E450 K451 K457 N458 | E450-E454 WeakPolarHBondContact O-CG 3.28Å; E450-E454 PolarHBondContact O-N 2.98Å; K451-E454 PolarHBondContact O-N 3.38Å; E454-K457 PolarHBondContact O-N 3.18Å; E454-N458 WeakPolarHBondContact O-CB 3.33Å; E454-N458 PolarHBondContact O-N 3.09Å; E454-N458 PolarHBondContact O-ND2 2.88Å; E454-N458 VanDerWaalsContact O-ND2 3.17Å |
| 455 | E | 89.7 | Confident | 83.9 | Confident | 103 Ų | 103 | 80 Ų | 80 | 48% | 0.481 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.8 | -55.6 | 175.4 | -73.9 | 172.3 | -176.5 | 0 | 0 | 110.9 | K451 Q452 K457 N458 E459 | K451-E455 WeakPolarHBondContact CE-OE1 3.48Å; K451-E455 WeakPolarHBondContact O-CG 3.15Å; K451-E455 PolarHBondContact O-N 3.42Å; Q452-E455 PolarHBondContact O-N 3.48Å; E455-K457 VanDerWaalsContact C-N 3.28Å; E455-K457 PolarHBondContact O-N 3.29Å; E455-N458 PolarHBondContact O-N 3.35Å; E455-N458 VanDerWaalsContact O-N 3.08Å; E455-E459 PolarHBondContact O-N 2.84Å |
| 456 | A | 86 | Confident | 82 | Confident | 18 Ų | 18 | 77.2 Ų | 77.2 | 15% | 0.149 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.2 | -36.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L413 I416 Q452 E459 W460 | L413-A456 HydrophobicContact CD2-CB 3.83Å; L413-A456 HydrophobicContact CG-CB 4.12Å; I416-A456 HydrophobicContact CD1-CB 4.42Å; Q452-A456 WeakPolarHBondContact O-CB 3.23Å; Q452-A456 PolarHBondContact O-N 2.79Å; A456-E459 PolarHBondContact O-N 2.81Å; A456-W460 WeakPolarHBondContact O-CB 3.47Å; A456-W460 PolarHBondContact O-N 3.43Å |
| 457 | K | 85.4 | Confident | 80.2 | Confident | 66 Ų | 66 | 82 Ų | 82 | 29% | 0.287 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -68.8 | -35.5 | 176.2 | -178.3 | 173.3 | -169.8 | 162.5 | 0 | 111.9 | L413 Y453 E454 E455 K461 | L413-K457 HydrophobicContact CD2-CB 4.13Å; Y453-K457 HydrophobicContact CD1-CD 4.32Å; Y453-K457 HydrophobicContact CE1-CD 3.62Å; Y453-K457 WeakPolarHBondContact O-CB 3.45Å; Y453-K457 PolarHBondContact O-N 3.06Å; Y453-K457 PolarHBondContact OH-NZ 2.63Å; E454-K457 PolarHBondContact O-N 3.18Å; E455-K457 VanDerWaalsContact C-N 3.28Å; E455-K457 PolarHBondContact O-N 3.29Å; K457-K461 WeakPolarHBondContact O-CB 3.46Å; K457-K461 VanDerWaalsContact O-CG 3.24Å; K457-K461 WeakPolarHBondContact O-CG 3.23Å; K457-K461 PolarHBondContact O-N 3.31Å |
| 458 | N | 83.9 | Confident | 78.7 | Confident | 80 Ų | 80 | 82.4 Ų | 82.4 | 43% | 0.428 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -72.4 | -40.3 | 175.7 | -72.9 | -24.8 | 0 | 0 | 0 | 111.3 | E454 E455 K461 N462 | E454-N458 WeakPolarHBondContact O-CB 3.33Å; E454-N458 PolarHBondContact O-N 3.09Å; E454-N458 PolarHBondContact O-ND2 2.88Å; E454-N458 VanDerWaalsContact O-ND2 3.17Å; E455-N458 PolarHBondContact O-N 3.35Å; E455-N458 VanDerWaalsContact O-N 3.08Å; N458-K461 PolarHBondContact O-N 2.88Å; N458-N462 WeakPolarHBondContact O-CB 3.07Å; N458-N462 PolarHBondContact O-N 2.78Å; N458-N462 PolarHBondContact O-ND2 3.19Å |
| 459 | E | 82 | Confident | 77.9 | Confident | 144 Ų | 144 | 77.3 Ų | 77.3 | 67% | 0.673 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -58 | -48.1 | 171 | -72.5 | -177.8 | 172 | 0 | 0 | 111.5 | E455 A456 K461 N462 A463 | E455-E459 PolarHBondContact O-N 2.84Å; A456-E459 PolarHBondContact O-N 2.81Å; E459-K461 PolarHBondContact O-N 2.79Å; E459-N462 WeakPolarHBondContact O-CB 3.4Å; E459-N462 PolarHBondContact O-N 2.85Å; E459-A463 PolarHBondContact O-N 3.3Å |
| 460 | W | 77 | Confident | 77.6 | Confident | 46 Ų | 46 | 80.2 Ų | 80.2 | 17% | 0.174 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 176.3 | 176.4 | 65.7 | 0 | 0 | 0 | 112.5 | S406 H407 T409 P410 L413 A456 N462 A463 Q464 | S406-W460 PolarHBondContact O-NE1 2.9Å; H407-W460 WeakPolarHBondContact O-CZ2 3.46Å; T409-W460 HydrophobicContact CG2-CH2 4.1Å; T409-W460 HydrophobicContact CG2-CZ2 4.38Å; P410-W460 HydrophobicContact CG-CG 4.08Å; L413-W460 HydrophobicContact CD1-CB 3.82Å; L413-W460 HydrophobicContact CD1-CD2 4.32Å; L413-W460 HydrophobicContact CD1-CG 4.07Å; A456-W460 WeakPolarHBondContact O-CB 3.47Å; A456-W460 PolarHBondContact O-N 3.43Å; W460-N462 VanDerWaalsContact C-N 3.27Å; W460-N462 PolarHBondContact O-N 3.21Å; W460-A463 CarbonylContact O-C 3.44Å; W460-A463 WeakPolarHBondContact O-CB 3.34Å; W460-A463 PolarHBondContact O-N 2.7Å; W460-A463 VanDerWaalsContact O-N 3.15Å; W460-Q464 HydrophobicContact CD2-CG 4.32Å; W460-Q464 WeakPolarHBondContact O-CG 3.45Å; W460-Q464 PolarHBondContact O-N 2.78Å |
| 461 | K | 74.7 | Confident | 77.5 | Confident | 75 Ų | 75 | 76.5 Ų | 76.5 | 33% | 0.326 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.4 | -36 | 174.4 | -79.6 | 172.3 | -175.2 | 165.7 | 0 | 112.4 | K457 N458 E459 A463 Q464 N465 | K457-K461 WeakPolarHBondContact O-CB 3.46Å; K457-K461 VanDerWaalsContact O-CG 3.24Å; K457-K461 WeakPolarHBondContact O-CG 3.23Å; K457-K461 PolarHBondContact O-N 3.31Å; N458-K461 PolarHBondContact O-N 2.88Å; E459-K461 PolarHBondContact O-N 2.79Å; K461-A463 VanDerWaalsContact C-N 3.34Å; K461-Q464 WeakPolarHBondContact O-CB 3.25Å; K461-Q464 PolarHBondContact O-N 2.91Å; K461-N465 WeakPolarHBondContact O-CB 3.35Å; K461-N465 VanDerWaalsContact O-CG 3.25Å; K461-N465 PolarHBondContact O-N 3.09Å; K461-N465 PolarHBondContact O-ND2 3.31Å |
| 462 | N | 74.3 | Confident | 77.3 | Confident | 117 Ų | 117 | 72 Ų | 72 | 63% | 0.626 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -67.4 | -39.5 | 175.8 | -69.7 | -18.3 | 0 | 0 | 0 | 110.7 | N458 E459 W460 Q464 N465 | N458-N462 WeakPolarHBondContact O-CB 3.07Å; N458-N462 PolarHBondContact O-N 2.78Å; N458-N462 PolarHBondContact O-ND2 3.19Å; E459-N462 WeakPolarHBondContact O-CB 3.4Å; E459-N462 PolarHBondContact O-N 2.85Å; W460-N462 VanDerWaalsContact C-N 3.27Å; W460-N462 PolarHBondContact O-N 3.21Å; N462-Q464 VanDerWaalsContact C-N 3.3Å; N462-Q464 PolarHBondContact O-N 2.68Å; N462-N465 PolarHBondContact O-N 3.32Å |
| 463 | A | 67.8 | Low | 77.3 | Confident | 59 Ų | 59 | 71.2 Ų | 71.2 | 49% | 0.488 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.6 | -32 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E459 W460 K461 | E459-A463 PolarHBondContact O-N 3.3Å; W460-A463 CarbonylContact O-C 3.44Å; W460-A463 WeakPolarHBondContact O-CB 3.34Å; W460-A463 PolarHBondContact O-N 2.7Å; W460-A463 VanDerWaalsContact O-N 3.15Å; K461-A463 VanDerWaalsContact C-N 3.34Å |
| 464 | Q | 65.1 | Low | 77.2 | Confident | 35 Ų | 35 | 74.3 Ų | 74.3 | 16% | 0.164 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -74.8 | -34 | 176 | -75.4 | -170.2 | -28.3 | 0 | 0 | 114.6 | S406 W460 K461 N462 G466 | S406-Q464 PolarHBondContact O-NE2 2.83Å; W460-Q464 HydrophobicContact CD2-CG 4.32Å; W460-Q464 WeakPolarHBondContact O-CG 3.45Å; W460-Q464 PolarHBondContact O-N 2.78Å; K461-Q464 WeakPolarHBondContact O-CB 3.25Å; K461-Q464 PolarHBondContact O-N 2.91Å; N462-Q464 VanDerWaalsContact C-N 3.3Å; N462-Q464 PolarHBondContact O-N 2.68Å; Q464-G466 PolarHBondContact O-N 2.89Å |
| 465 | N | 59 | Low | 77.2 | Confident | 136 Ų | 136 | 69.5 Ų | 69.5 | 73% | 0.727 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -78.2 | -12.1 | -174.6 | -74.6 | -26.3 | 0 | 0 | 0 | 112.7 | K461 N462 | K461-N465 WeakPolarHBondContact O-CB 3.35Å; K461-N465 VanDerWaalsContact O-CG 3.25Å; K461-N465 PolarHBondContact O-N 3.09Å; K461-N465 PolarHBondContact O-ND2 3.31Å; N462-N465 PolarHBondContact O-N 3.32Å |
| 466 | G | 53.6 | Low | 77.3 | Confident | 28 Ų | 28 | 64.6 Ų | 64.6 | 29% | 0.289 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -83.5 | 132.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q464 S468 | Q464-G466 PolarHBondContact O-N 2.89Å; G466-S468 PolarHBondContact O-N 3.44Å |
| 467 | M | 54.1 | Low | 77.3 | Confident | 124 Ų | 124 | 64 Ų | 64 | 61% | 0.611 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 22.9 | 157.4 | -139.6 | 156.5 | 177.1 | 0 | 0 | 111.8 | N365 | N365-M467 PolarHBondContact ND2-O 2.91Š|
| 468 | S | 60.5 | Low | 77.4 | Confident | 86 Ų | 86 | 64.6 Ų | 64.6 | 60% | 0.601 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -4.9 | -171.7 | 51.1 | 0 | 0 | 0 | 0 | 112.9 | G466 S470 | G466-S468 PolarHBondContact O-N 3.44Å; S468-S470 PolarHBondContact O-N 3.32Å |
| 469 | T | 75.2 | Confident | 77.7 | Confident | 37 Ų | 37 | 60.8 Ų | 60.8 | 23% | 0.227 | 33% | 0.334 | C | S | . | . | trans | -77.7 | 107.2 | 172.3 | -37.9 | 0 | 0 | 0 | 0 | 108.6 | I364 N365 V402 | I364-T469 WeakPolarHBondContact CB-O 3.44Å; N365-T469 PolarHBondContact N-O 3.27Å; V402-T469 HydrophobicContact CG1-CG2 3.23Å | ||
| 470 | S | 86.8 | Confident | 77.9 | Confident | 68 Ų | 68 | 54 Ų | 54 | 48% | 0.476 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 137.6 | 176.2 | 56.6 | 0 | 0 | 0 | 0 | 111 | N365 S468 S472 | N365-S470 CarbonylContact O-C 3.57Å; N365-S470 WeakPolarHBondContact O-CA 3.34Å; S468-S470 PolarHBondContact O-N 3.32Å; S470-S472 PolarHBondContact O-N 3.37Å |
| 471 | L | 89.9 | Confident | 78.1 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 122.4 | 168.7 | -175.1 | 62.8 | 0 | 0 | 0 | 109.3 | I364 N365 I366 S367 A370 I395 A398 V402 D475 I476 | I364-L471 HydrophobicContact CD1-CB 4.12Å; N365-L471 PolarHBondContact O-N 3.22Å; I366-L471 HydrophobicContact CG1-CD2 4.31Å; I366-L471 HydrophobicContact CG2-CD2 4.23Å; S367-L471 VanDerWaalsContact CB-O 3.32Å; S367-L471 WeakPolarHBondContact CB-O 3.34Å; S367-L471 PolarHBondContact N-O 2.85Å; S367-L471 PolarHBondContact OG-O 3.17Å; A370-L471 HydrophobicContact CB-CB 4.42Å; A370-L471 HydrophobicContact CB-CD2 4.26Å; A370-L471 HydrophobicContact CB-CG 3.96Å; A370-L471 WeakPolarHBondContact CB-O 3.42Å; I395-L471 HydrophobicContact CD1-CD2 3.98Å; I395-L471 HydrophobicContact CG2-CD2 4.46Å; A398-L471 HydrophobicContact CB-CD1 3.65Å; A398-L471 HydrophobicContact CB-CD2 4.35Å; V402-L471 HydrophobicContact CG2-CD1 3.86Å; L471-D475 HydrophobicContact CD1-CB 3.59Å; L471-I476 HydrophobicContact CD1-CD1 4.39Å; L471-I476 HydrophobicContact CD2-CD1 3.92Å; L471-I476 HydrophobicContact CG-CD1 4.24Å |
| 472 | S | 88.4 | Confident | 78.5 | Confident | 37 Ų | 37 | 52.3 Ų | 52.3 | 26% | 0.259 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -102.9 | 167.6 | -179.2 | 72.1 | 0 | 0 | 0 | 0 | 112.3 | S470 E474 D475 I476 | S470-S472 PolarHBondContact O-N 3.37Å; S472-E474 PolarHBondContact O-N 2.95Å; S472-E474 PolarHBondContact OG-N 2.97Å; S472-D475 WeakPolarHBondContact CB-OD2 3.23Å; S472-D475 PolarHBondContact N-OD2 3.48Å; S472-D475 PolarHBondContact O-N 3.38Å; S472-D475 PolarHBondContact OG-N 3.35Å; S472-D475 PolarHBondContact OG-OD2 2.89Å; S472-I476 PolarHBondContact O-N 2.71Å |
| 473 | E | 90.1 | Very high | 78.9 | Confident | 65 Ų | 65 | 50.2 Ų | 50.2 | 30% | 0.304 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.3 | -32.4 | 170.2 | 173.6 | 178.5 | -163.2 | 0 | 0 | 112.4 | A373 I476 A477 K490 | A373-E473 HydrophobicContact CB-CB 4.14Å; A373-E473 HydrophobicContact CB-CG 3.71Å; E473-I476 WeakPolarHBondContact O-CB 3.45Å; E473-I476 PolarHBondContact O-N 2.67Å; E473-A477 PolarHBondContact O-N 3.01Å; E473-K490 WeakPolarHBondContact OE2-CE 3.5Å; E473-K490 IonicContact OE2-NZ 2.63Å; E473-K490 PolarHBondContact OE2-NZ 2.94Å |
| 474 | E | 87.7 | Confident | 79 | Confident | 109 Ų | 109 | 49.4 Ų | 49.4 | 51% | 0.509 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.8 | -38.5 | -178.5 | -64.2 | -177.8 | 177.9 | 0 | 0 | 111.9 | S472 I476 A477 E478 K490 | S472-E474 PolarHBondContact O-N 2.95Å; S472-E474 PolarHBondContact OG-N 2.97Å; E474-I476 VanDerWaalsContact C-N 3.29Å; E474-I476 PolarHBondContact O-N 2.99Å; E474-A477 PolarHBondContact O-N 3.36Å; E474-E478 WeakPolarHBondContact O-CB 3.47Å; E474-E478 PolarHBondContact O-N 3.08Å; E474-K490 HydrophobicContact CG-CD 4.38Å |
| 475 | D | 89.9 | Confident | 79 | Confident | 26 Ų | 26 | 50.9 Ų | 50.9 | 14% | 0.139 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.4 | -38.9 | 176.4 | -61.6 | -63 | 0 | 0 | 0 | 111.2 | V402 L471 S472 E478 V479 | V402-D475 HydrophobicContact CG2-CB 3.97Å; V402-D475 VanDerWaalsContact CG2-CG 3.48Å; V402-D475 WeakPolarHBondContact CG2-OD1 3.41Å; L471-D475 HydrophobicContact CD1-CB 3.59Å; S472-D475 WeakPolarHBondContact CB-OD2 3.23Å; S472-D475 PolarHBondContact N-OD2 3.48Å; S472-D475 PolarHBondContact O-N 3.38Å; S472-D475 PolarHBondContact OG-N 3.35Å; S472-D475 PolarHBondContact OG-OD2 2.89Å; D475-E478 PolarHBondContact O-N 3.49Å; D475-V479 WeakPolarHBondContact O-CG2 3.43Å; D475-V479 PolarHBondContact O-N 2.88Å; D475-V479 VanDerWaalsContact O-N 3.08Å |
| 476 | I | 91.2 | Very high | 79.2 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.7 | -47.5 | 174.8 | -60.4 | -60 | 0 | 0 | 0 | 110.6 | A370 A373 A374 L377 L394 I395 A398 L471 S472 E473 E474 E478 V479 I480 | A370-I476 HydrophobicContact CB-CD1 4.47Å; A370-I476 HydrophobicContact CB-CG1 4Å; A373-I476 HydrophobicContact CB-CG2 4.36Å; A374-I476 HydrophobicContact CB-CD1 4.28Å; A374-I476 HydrophobicContact CB-CG2 4.12Å; L377-I476 HydrophobicContact CD1-CG2 4.13Å; L394-I476 HydrophobicContact CD1-CG2 4.35Å; L394-I476 HydrophobicContact CD2-CG2 3.63Å; L394-I476 HydrophobicContact CG-CD1 4.42Å; L394-I476 HydrophobicContact CG-CG2 4Å; I395-I476 HydrophobicContact CD1-CD1 3.84Å; A398-I476 HydrophobicContact CB-CD1 3.76Å; L471-I476 HydrophobicContact CD1-CD1 4.39Å; L471-I476 HydrophobicContact CD2-CD1 3.92Å; L471-I476 HydrophobicContact CG-CD1 4.24Å; S472-I476 PolarHBondContact O-N 2.71Å; E473-I476 WeakPolarHBondContact O-CB 3.45Å; E473-I476 PolarHBondContact O-N 2.67Å; E474-I476 VanDerWaalsContact C-N 3.29Å; E474-I476 PolarHBondContact O-N 2.99Å; I476-E478 VanDerWaalsContact C-N 3.3Å; I476-E478 PolarHBondContact O-N 3.08Å; I476-V479 PolarHBondContact O-N 3.43Å; I476-I480 HydrophobicContact CG2-CD1 4.34Å; I476-I480 PolarHBondContact O-N 3.05Å |
| 477 | A | 86.7 | Confident | 79.6 | Confident | 5 Ų | 5 | 47.6 Ų | 47.6 | 4% | 0.041 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.4 | -39.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L377 E473 E474 V479 I480 A481 L488 | L377-A477 HydrophobicContact CD1-CB 4.42Å; E473-A477 PolarHBondContact O-N 3.01Å; E474-A477 PolarHBondContact O-N 3.36Å; A477-V479 PolarHBondContact O-N 3.49Å; A477-I480 PolarHBondContact O-N 3.37Å; A477-A481 VanDerWaalsContact O-CB 3.28Å; A477-A481 WeakPolarHBondContact O-CB 2.91Å; A477-A481 PolarHBondContact O-N 3.47Å; A477-L488 HydrophobicContact CB-CB 3.95Å; A477-L488 WeakPolarHBondContact CB-O 3.13Å |
| 478 | E | 87.7 | Confident | 80.1 | Confident | 79 Ų | 79 | 42.7 Ų | 42.7 | 37% | 0.369 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.4 | -37.3 | 177.3 | -160.1 | -164.3 | 152.4 | 0 | 0 | 112.4 | K401 K405 E474 D475 I476 A481 G482 | K401-E478 WeakPolarHBondContact CE-OE1 3.43Å; K401-E478 IonicContact NZ-OE1 3.26Å; K401-E478 PolarHBondContact NZ-OE1 3.36Å; K401-E478 IonicContact NZ-OE2 2.6Å; K405-E478 IonicContact NZ-OE1 3.75Å; K405-E478 IonicContact NZ-OE2 3.91Å; K405-E478 PolarHBondContact NZ-OE2 3.33Å; E474-E478 WeakPolarHBondContact O-CB 3.47Å; E474-E478 PolarHBondContact O-N 3.08Å; D475-E478 PolarHBondContact O-N 3.49Å; I476-E478 VanDerWaalsContact C-N 3.3Å; I476-E478 PolarHBondContact O-N 3.08Å; E478-A481 WeakPolarHBondContact O-CB 3.28Å; E478-G482 PolarHBondContact O-N 3.28Å; E478-G482 VanDerWaalsContact O-N 3.08Å |
| 479 | V | 89.9 | Confident | 79.8 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -72.1 | -45.2 | 176.9 | 174.9 | 0 | 0 | 0 | 0 | 111.5 | L394 E397 A398 K401 D475 I476 A477 A481 G482 W483 | L394-V479 HydrophobicContact CD1-CB 3.7Å; L394-V479 HydrophobicContact CD1-CG1 3.49Å; L394-V479 VanDerWaalsContact CD1-CG1 3.49Å; E397-V479 HydrophobicContact CB-CG1 4.13Å; E397-V479 HydrophobicContact CG-CG1 3.9Å; A398-V479 HydrophobicContact CB-CB 4.48Å; A398-V479 HydrophobicContact CB-CG2 3.76Å; K401-V479 HydrophobicContact CD-CG2 3.9Å; D475-V479 WeakPolarHBondContact O-CG2 3.43Å; D475-V479 PolarHBondContact O-N 2.88Å; D475-V479 VanDerWaalsContact O-N 3.08Å; I476-V479 PolarHBondContact O-N 3.43Å; A477-V479 PolarHBondContact O-N 3.49Å; V479-A481 PolarHBondContact O-N 2.89Å; V479-G482 CarbonylContact O-C 3.57Å; V479-G482 WeakPolarHBondContact O-CA 3.44Å; V479-G482 PolarHBondContact O-N 3.26Å; V479-W483 HydrophobicContact CG1-CD2 4.37Å; V479-W483 HydrophobicContact CG1-CZ2 4.13Å; V479-W483 PolarHBondContact O-N 3.48Å |
| 480 | I | 86.2 | Confident | 78.4 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60 | -38.6 | 174.4 | -63.2 | 174.6 | 0 | 0 | 0 | 110.1 | L377 Y381 V382 L394 I476 A477 G482 W483 T484 L488 | L377-I480 HydrophobicContact CB-CD1 3.2Å; L377-I480 HydrophobicContact CD1-CD1 4.14Å; L377-I480 HydrophobicContact CG-CD1 4.3Å; Y381-I480 HydrophobicContact CG-CG2 4.39Å; V382-I480 HydrophobicContact CG2-CG2 4.45Å; L394-I480 HydrophobicContact CD1-CD1 4.48Å; L394-I480 HydrophobicContact CD1-CG1 3.6Å; L394-I480 HydrophobicContact CD2-CD1 3.58Å; L394-I480 HydrophobicContact CD2-CG1 3.59Å; L394-I480 HydrophobicContact CG-CG1 4.26Å; I476-I480 HydrophobicContact CG2-CD1 4.34Å; I476-I480 PolarHBondContact O-N 3.05Å; A477-I480 PolarHBondContact O-N 3.37Å; I480-G482 VanDerWaalsContact C-N 3.27Å; I480-G482 PolarHBondContact O-N 3.44Å; I480-W483 PolarHBondContact O-N 3.36Å; I480-W483 VanDerWaalsContact O-N 3.16Å; I480-T484 HydrophobicContact CG2-CG2 3.83Å; I480-T484 WeakPolarHBondContact O-CB 3.31Å; I480-T484 WeakPolarHBondContact O-CG2 3.48Å; I480-T484 PolarHBondContact O-N 3.37Å; I480-T484 PolarHBondContact O-OG1 3.33Å; I480-L488 HydrophobicContact CB-CD1 3.56Å; I480-L488 HydrophobicContact CD1-CD1 4.37Å; I480-L488 HydrophobicContact CG2-CD1 3.21Å |
| 481 | A | 82 | Confident | 76.3 | Confident | 23 Ų | 23 | 47 Ų | 47 | 19% | 0.19 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59 | -39.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A477 E478 V479 G485 I486 | A477-A481 VanDerWaalsContact O-CB 3.28Å; A477-A481 WeakPolarHBondContact O-CB 2.91Å; A477-A481 PolarHBondContact O-N 3.47Å; E478-A481 WeakPolarHBondContact O-CB 3.28Å; V479-A481 PolarHBondContact O-N 2.89Å; A481-G485 CarbonylContact O-C 3.54Å; A481-G485 WeakPolarHBondContact O-CA 3.16Å; A481-G485 PolarHBondContact O-N 2.65Å; A481-I486 WeakPolarHBondContact CA-O 3.5Å; A481-I486 WeakPolarHBondContact CB-O 3.48Å; A481-I486 PolarHBondContact O-N 3.43Å |
| 482 | G | 82.8 | Confident | 74.2 | Confident | 63 Ų | 63 | 51.7 Ų | 51.7 | 65% | 0.649 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -64.5 | -41.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | E478 V479 I480 | E478-G482 PolarHBondContact O-N 3.28Å; E478-G482 VanDerWaalsContact O-N 3.08Å; V479-G482 CarbonylContact O-C 3.57Å; V479-G482 WeakPolarHBondContact O-CA 3.44Å; V479-G482 PolarHBondContact O-N 3.26Å; I480-G482 VanDerWaalsContact C-N 3.27Å; I480-G482 PolarHBondContact O-N 3.44Å |
| 483 | W | 81.5 | Confident | 72.2 | Confident | 74 Ų | 74 | 57.3 Ų | 57.3 | 28% | 0.28 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -69.9 | -41.6 | -179.5 | -70.6 | 3.7 | 0 | 0 | 0 | 113.3 | V382 D393 L394 E397 V479 I480 | V382-W483 HydrophobicContact CG2-CE3 4.12Å; D393-W483 HydrophobicContact CB-CH2 3.66Å; D393-W483 HydrophobicContact CB-CZ2 4.25Å; L394-W483 HydrophobicContact CB-CH2 3.77Å; L394-W483 HydrophobicContact CB-CZ3 4.09Å; L394-W483 HydrophobicContact CD1-CH2 4.33Å; L394-W483 HydrophobicContact CD1-CZ3 4.42Å; E397-W483 HydrophobicContact CB-CZ2 4.32Å; E397-W483 PolarHBondContact OE1-NE1 3.13Å; E397-W483 VanDerWaalsContact OE2-CE2 3.31Å; E397-W483 WeakPolarHBondContact OE2-CZ2 3.37Å; E397-W483 PolarHBondContact OE2-NE1 3.36Å; V479-W483 HydrophobicContact CG1-CD2 4.37Å; V479-W483 HydrophobicContact CG1-CZ2 4.13Å; V479-W483 PolarHBondContact O-N 3.48Å; I480-W483 PolarHBondContact O-N 3.36Å; I480-W483 VanDerWaalsContact O-N 3.16Å |
| 484 | T | 70 | Confident | 70.7 | Confident | 42 Ų | 42 | 58.4 Ų | 58.4 | 26% | 0.258 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -100.7 | -15.7 | -169.6 | 61.1 | 0 | 0 | 0 | 0 | 113.1 | V382 I480 I486 | V382-T484 HydrophobicContact CG2-CG2 4.19Å; I480-T484 HydrophobicContact CG2-CG2 3.83Å; I480-T484 WeakPolarHBondContact O-CB 3.31Å; I480-T484 WeakPolarHBondContact O-CG2 3.48Å; I480-T484 PolarHBondContact O-N 3.37Å; I480-T484 PolarHBondContact O-OG1 3.33Å; T484-I486 VanDerWaalsContact C-N 3.25Å; T484-I486 HydrophobicContact CG2-CD1 4.09Å; T484-I486 WeakPolarHBondContact OG1-CB 3.32Å; T484-I486 WeakPolarHBondContact OG1-CD1 3.49Å; T484-I486 VanDerWaalsContact OG1-CG1 3.26Å; T484-I486 WeakPolarHBondContact OG1-CG1 3.26Å; T484-I486 PolarHBondContact OG1-N 3.1Å |
| 485 | G | 66.4 | Low | 69.4 | Low | 66 Ų | 66 | 55.3 Ų | 55.3 | 68% | 0.68 | 32% | 0.324 | S | S | * | . | S | Bend | trans | 76.2 | 6.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | A481 | A481-G485 CarbonylContact O-C 3.54Å; A481-G485 WeakPolarHBondContact O-CA 3.16Å; A481-G485 PolarHBondContact O-N 2.65Å |
| 486 | I | 62.3 | Low | 68.3 | Low | 10 Ų | 10 | 56.7 Ų | 56.7 | 5% | 0.051 | 34% | 0.335 | C | S | . | . | trans | -97.2 | 121.6 | -173.7 | -48.3 | 155.2 | 0 | 0 | 0 | 109.7 | Y381 A481 T484 L488 Y611 | Y381-I486 HydrophobicContact CD1-CD1 3.85Å; A481-I486 WeakPolarHBondContact CA-O 3.5Å; A481-I486 WeakPolarHBondContact CB-O 3.48Å; A481-I486 PolarHBondContact O-N 3.43Å; T484-I486 VanDerWaalsContact C-N 3.25Å; T484-I486 HydrophobicContact CG2-CD1 4.09Å; T484-I486 WeakPolarHBondContact OG1-CB 3.32Å; T484-I486 WeakPolarHBondContact OG1-CD1 3.49Å; T484-I486 VanDerWaalsContact OG1-CG1 3.26Å; T484-I486 WeakPolarHBondContact OG1-CG1 3.26Å; T484-I486 PolarHBondContact OG1-N 3.1Å; I486-L488 HydrophobicContact CB-CD2 4.43Å; I486-L488 HydrophobicContact CB-CG 4.39Å; I486-L488 HydrophobicContact CG2-CD2 3.88Å; I486-L488 HydrophobicContact CG2-CG 4.29Å; I486-L488 PolarHBondContact O-N 3.14Å; I486-Y611 HydrophobicContact CD1-CD1 4.15Å; I486-Y611 HydrophobicContact CD1-CD2 3.32Å; I486-Y611 HydrophobicContact CD1-CE1 3.79Å; I486-Y611 HydrophobicContact CD1-CE2 2.96Å; I486-Y611 HydrophobicContact CD1-CG 3.95Å; I486-Y611 HydrophobicContact CG1-CD1 4.13Å; I486-Y611 HydrophobicContact CG1-CD2 3.49Å; I486-Y611 VanDerWaalsContact CG1-CD2 3.49Å; I486-Y611 HydrophobicContact CG1-CE1 4.24Å; I486-Y611 HydrophobicContact CG1-CE2 3.72Å; I486-Y611 HydrophobicContact CG1-CG 3.76Å; I486-Y611 HydrophobicContact CG2-CD1 4.29Å; I486-Y611 HydrophobicContact CG2-CE1 4.28Å | ||
| 487 | P | 62.6 | Low | 67.4 | Low | 85 Ų | 85 | 62.2 Ų | 62.2 | 55% | 0.552 | 36% | 0.361 | S | S | * | . | trans | -63.8 | 109.3 | 169.9 | 25.5 | -30.9 | 0 | 0 | 0 | 109.8 | ||||
| 488 | L | 63.8 | Low | 66.7 | Low | 20 Ų | 20 | 68.8 Ų | 68.8 | 11% | 0.105 | 39% | 0.389 | C | S | . | . | trans | -105.9 | 10.3 | 178.2 | -67.1 | -179.9 | 0 | 0 | 0 | 113.4 | Y381 A477 I480 I486 K490 | Y381-L488 HydrophobicContact CD1-CD1 4.29Å; Y381-L488 HydrophobicContact CD1-CD2 3.76Å; Y381-L488 HydrophobicContact CD2-CD1 3.91Å; Y381-L488 HydrophobicContact CD2-CD2 4.2Å; Y381-L488 HydrophobicContact CE1-CD2 3.39Å; Y381-L488 HydrophobicContact CE2-CD1 4.2Å; Y381-L488 HydrophobicContact CE2-CD2 3.81Å; Y381-L488 HydrophobicContact CG-CD1 4Å; Y381-L488 HydrophobicContact CG-CD2 4.22Å; Y381-L488 VanDerWaalsContact CZ-CD2 3.4Å; A477-L488 HydrophobicContact CB-CB 3.95Å; A477-L488 WeakPolarHBondContact CB-O 3.13Å; I480-L488 HydrophobicContact CB-CD1 3.56Å; I480-L488 HydrophobicContact CD1-CD1 4.37Å; I480-L488 HydrophobicContact CG2-CD1 3.21Å; I486-L488 HydrophobicContact CB-CD2 4.43Å; I486-L488 HydrophobicContact CB-CG 4.39Å; I486-L488 HydrophobicContact CG2-CD2 3.88Å; I486-L488 HydrophobicContact CG2-CG 4.29Å; I486-L488 PolarHBondContact O-N 3.14Å; L488-K490 PolarHBondContact O-N 3.33Å | ||
| 489 | T | 55.2 | Low | 66.2 | Low | 100 Ų | 100 | 66 Ų | 66 | 61% | 0.613 | 38% | 0.377 | S | S | * | . | trans | -46.3 | 131.1 | 171.1 | 47.5 | 0 | 0 | 0 | 0 | 108.5 | I491 | T489-I491 PolarHBondContact O-N 3.17Š| ||
| 490 | K | 46.4 | Very low | 65.9 | Low | 85 Ų | 85 | 71.5 Ų | 71.5 | 37% | 0.37 | 41% | 0.405 | S | S | . | . | trans | -41.3 | 142.8 | 174.2 | -78 | 179.8 | 176.2 | 177.9 | 0 | 108.3 | E473 E474 L488 N492 | E473-K490 WeakPolarHBondContact OE2-CE 3.5Å; E473-K490 IonicContact OE2-NZ 2.63Å; E473-K490 PolarHBondContact OE2-NZ 2.94Å; E474-K490 HydrophobicContact CG-CD 4.38Å; L488-K490 PolarHBondContact O-N 3.33Å; K490-N492 PolarHBondContact O-N 3.4Å | ||
| 491 | I | 42.3 | Very low | 65.8 | Low | 97 Ų | 97 | 73.4 Ų | 73.4 | 50% | 0.497 | 42% | 0.418 | S | S | . | . | trans | -58.6 | 73.6 | 166.3 | -56 | 170.4 | 0 | 0 | 0 | 107 | T489 E495 S496 | T489-I491 PolarHBondContact O-N 3.17Å; I491-E495 HydrophobicContact CG2-CB 4.46Å; I491-S496 WeakPolarHBondContact CG2-OG 3.26Å | ||
| 492 | N | 44.5 | Very low | 66 | Low | 99 Ų | 99 | 72.5 Ų | 72.5 | 53% | 0.529 | 41% | 0.41 | S | S | . | . | trans | -74.3 | 139.2 | 159.1 | -74.4 | -14.8 | 0 | 0 | 0 | 103.8 | K490 T494 E495 | K490-N492 PolarHBondContact O-N 3.4Å; N492-T494 CarbonylContact O-C 3.55Å; N492-T494 WeakPolarHBondContact O-CA 3.39Å; N492-T494 PolarHBondContact O-N 2.64Å; N492-T494 PolarHBondContact O-OG1 3.38Å; N492-E495 PolarHBondContact O-N 3.04Å | ||
| 493 | E | 47.5 | Very low | 66.2 | Low | 155 Ų | 155 | 71.8 Ų | 71.8 | 72% | 0.724 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -22.6 | -43.4 | -170.8 | -67.8 | 166.3 | 155.7 | 0 | 0 | 114.8 | E495 S496 E497 | E493-E495 PolarHBondContact O-N 3.28Å; E493-S496 PolarHBondContact O-N 3.3Å; E493-E497 WeakPolarHBondContact O-CB 3.01Å; E493-E497 VanDerWaalsContact O-CG 3.27Å; E493-E497 WeakPolarHBondContact O-CG 3.48Å; E493-E497 PolarHBondContact O-N 2.87Å |
| 494 | T | 58 | Low | 66.5 | Low | 88 Ų | 88 | 73.4 Ų | 73.4 | 54% | 0.54 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -40.4 | -46.1 | 168.1 | 57.8 | 0 | 0 | 0 | 0 | 119.1 | N492 K498 | N492-T494 CarbonylContact O-C 3.55Å; N492-T494 WeakPolarHBondContact O-CA 3.39Å; N492-T494 PolarHBondContact O-N 2.64Å; N492-T494 PolarHBondContact O-OG1 3.38Å; T494-K498 WeakPolarHBondContact O-CB 3.3Å; T494-K498 VanDerWaalsContact O-CG 3.23Å; T494-K498 WeakPolarHBondContact O-CG 3.06Å; T494-K498 PolarHBondContact O-N 2.88Å |
| 495 | E | 60.7 | Low | 67.3 | Low | 44 Ų | 44 | 74 Ų | 74 | 21% | 0.206 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -80.3 | -37.1 | -178.4 | -160.6 | -169.3 | 175.2 | 0 | 0 | 111.5 | I491 N492 E493 E497 K498 L499 R528 | I491-E495 HydrophobicContact CG2-CB 4.46Å; N492-E495 PolarHBondContact O-N 3.04Å; E493-E495 PolarHBondContact O-N 3.28Å; E495-E497 VanDerWaalsContact C-N 3.29Å; E495-E497 PolarHBondContact O-N 2.84Å; E495-K498 PolarHBondContact O-N 3.46Å; E495-L499 WeakPolarHBondContact O-CB 3.49Å; E495-L499 VanDerWaalsContact O-CG 3.3Å; E495-L499 WeakPolarHBondContact O-CG 3.37Å; E495-L499 PolarHBondContact O-N 3.32Å; E495-R528 IonicContact OE1-NH1 2.9Å |
| 496 | S | 66.1 | Low | 68.4 | Low | 54 Ų | 54 | 70.9 Ų | 70.9 | 38% | 0.378 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.7 | -43.7 | 170.5 | -76.5 | 0 | 0 | 0 | 0 | 110.6 | I491 E493 L499 L500 | I491-S496 WeakPolarHBondContact CG2-OG 3.26Å; E493-S496 PolarHBondContact O-N 3.3Å; S496-L499 PolarHBondContact O-N 3.46Å; S496-L500 WeakPolarHBondContact O-CB 3.18Å; S496-L500 VanDerWaalsContact O-CG 3.23Å; S496-L500 WeakPolarHBondContact O-CG 3.42Å; S496-L500 PolarHBondContact O-N 3.35Å |
| 497 | E | 73.7 | Confident | 69.6 | Low | 116 Ų | 116 | 73.1 Ų | 73.1 | 54% | 0.542 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.1 | -47.2 | 173.4 | -76.3 | 175.1 | 177.3 | 0 | 0 | 111.1 | E493 E495 L499 L500 S501 | E493-E497 WeakPolarHBondContact O-CB 3.01Å; E493-E497 VanDerWaalsContact O-CG 3.27Å; E493-E497 WeakPolarHBondContact O-CG 3.48Å; E493-E497 PolarHBondContact O-N 2.87Å; E495-E497 VanDerWaalsContact C-N 3.29Å; E495-E497 PolarHBondContact O-N 2.84Å; E497-L499 VanDerWaalsContact C-N 3.31Å; E497-L499 PolarHBondContact O-N 2.84Å; E497-L500 CarbonylContact O-C 3.58Å; E497-L500 WeakPolarHBondContact O-CB 3.44Å; E497-L500 PolarHBondContact O-N 3.02Å; E497-L500 VanDerWaalsContact O-N 3.14Å; E497-S501 WeakPolarHBondContact O-CB 3.37Å; E497-S501 PolarHBondContact O-N 3.24Å; E497-S501 PolarHBondContact O-OG 2.64Å; E497-S501 VanDerWaalsContact O-OG 3.12Å |
| 498 | K | 71.8 | Confident | 70.7 | Confident | 143 Ų | 143 | 76.2 Ų | 76.2 | 62% | 0.622 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -57.9 | -40.3 | 174.2 | -79.4 | 175.5 | -179.1 | -174.1 | 0 | 113 | T494 E495 S501 L502 | T494-K498 WeakPolarHBondContact O-CB 3.3Å; T494-K498 VanDerWaalsContact O-CG 3.23Å; T494-K498 WeakPolarHBondContact O-CG 3.06Å; T494-K498 PolarHBondContact O-N 2.88Å; E495-K498 PolarHBondContact O-N 3.46Å; K498-S501 WeakPolarHBondContact CA-OG 3.44Å; K498-S501 CarbonylContact O-C 3.28Å; K498-S501 PolarHBondContact O-N 3.21Å; K498-S501 PolarHBondContact O-OG 3.04Å; K498-L502 WeakPolarHBondContact O-CA 3.37Å; K498-L502 PolarHBondContact O-N 3.48Å |
| 499 | L | 77.4 | Confident | 71.7 | Confident | 22 Ų | 22 | 76.8 Ų | 76.8 | 12% | 0.115 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -72.7 | -30.8 | 178.4 | -72.1 | 172.7 | 0 | 0 | 0 | 112.2 | E495 S496 E497 L502 V524 R528 M562 | E495-L499 WeakPolarHBondContact O-CB 3.49Å; E495-L499 VanDerWaalsContact O-CG 3.3Å; E495-L499 WeakPolarHBondContact O-CG 3.37Å; E495-L499 PolarHBondContact O-N 3.32Å; S496-L499 PolarHBondContact O-N 3.46Å; E497-L499 VanDerWaalsContact C-N 3.31Å; E497-L499 PolarHBondContact O-N 2.84Å; L499-L502 WeakPolarHBondContact O-CB 3.25Å; L499-V524 HydrophobicContact CD2-CG1 4.08Å; L499-R528 HydrophobicContact CD1-CB 3.72Å; L499-R528 HydrophobicContact CD1-CG 3.97Å; L499-R528 HydrophobicContact CD2-CG 4.2Å; L499-M562 HydrophobicContact CD2-CE 4.45Å; L499-M562 HydrophobicContact CD2-SD 4.2Å |
| 500 | L | 82.5 | Confident | 73.3 | Confident | 116 Ų | 116 | 72.3 Ų | 72.3 | 61% | 0.607 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -71.4 | -38.9 | 171.7 | -72.9 | 168.4 | 0 | 0 | 0 | 111 | S496 E497 L502 | S496-L500 WeakPolarHBondContact O-CB 3.18Å; S496-L500 VanDerWaalsContact O-CG 3.23Å; S496-L500 WeakPolarHBondContact O-CG 3.42Å; S496-L500 PolarHBondContact O-N 3.35Å; E497-L500 CarbonylContact O-C 3.58Å; E497-L500 WeakPolarHBondContact O-CB 3.44Å; E497-L500 PolarHBondContact O-N 3.02Å; E497-L500 VanDerWaalsContact O-N 3.14Å; L500-L502 VanDerWaalsContact C-N 3.29Å; L500-L502 PolarHBondContact O-N 3.47Å |
| 501 | S | 83.7 | Confident | 75.2 | Confident | 39 Ų | 39 | 69.6 Ų | 69.6 | 27% | 0.273 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | 9.4 | 175.7 | 72.9 | 0 | 0 | 0 | 0 | 113.4 | E497 K498 E503 D504 T505 | E497-S501 WeakPolarHBondContact O-CB 3.37Å; E497-S501 PolarHBondContact O-N 3.24Å; E497-S501 PolarHBondContact O-OG 2.64Å; E497-S501 VanDerWaalsContact O-OG 3.12Å; K498-S501 WeakPolarHBondContact CA-OG 3.44Å; K498-S501 CarbonylContact O-C 3.28Å; K498-S501 PolarHBondContact O-N 3.21Å; K498-S501 PolarHBondContact O-OG 3.04Å; S501-E503 VanDerWaalsContact C-N 3.25Å; S501-E503 PolarHBondContact O-N 3.44Å; S501-D504 PolarHBondContact O-N 3.21Å; S501-D504 VanDerWaalsContact O-N 3.17Å; S501-T505 WeakPolarHBondContact O-CB 3.25Å; S501-T505 PolarHBondContact O-N 3.47Å; S501-T505 PolarHBondContact O-OG1 3.26Å |
| 502 | L | 86.1 | Confident | 77.3 | Confident | 5 Ų | 5 | 65.4 Ų | 65.4 | 3% | 0.026 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.2 | -38 | -178.9 | -179.6 | 64.3 | 0 | 0 | 0 | 110.7 | K498 L499 L500 D504 T505 L506 V524 M562 | K498-L502 WeakPolarHBondContact O-CA 3.37Å; K498-L502 PolarHBondContact O-N 3.48Å; L499-L502 WeakPolarHBondContact O-CB 3.25Å; L500-L502 VanDerWaalsContact C-N 3.29Å; L500-L502 PolarHBondContact O-N 3.47Å; L502-D504 VanDerWaalsContact C-N 3.34Å; L502-T505 PolarHBondContact O-N 3.3Å; L502-L506 HydrophobicContact CD1-CD1 4.25Å; L502-L506 HydrophobicContact CD1-CG 4.19Å; L502-L506 HydrophobicContact CG-CD1 4.05Å; L502-L506 HydrophobicContact CG-CG 4.39Å; L502-L506 WeakPolarHBondContact O-CB 3.49Å; L502-L506 VanDerWaalsContact O-CG 3.23Å; L502-L506 WeakPolarHBondContact O-CG 3.4Å; L502-L506 PolarHBondContact O-N 2.89Å; L502-V524 HydrophobicContact CD2-CB 4.06Å; L502-V524 HydrophobicContact CD2-CG1 3.82Å; L502-M562 HydrophobicContact CD1-SD 4.25Å; L502-M562 HydrophobicContact CD2-SD 4.15Å |
| 503 | E | 88.2 | Confident | 79.3 | Confident | 47 Ų | 47 | 60.8 Ų | 60.8 | 22% | 0.22 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.3 | -44.3 | 176 | -70.4 | 178 | -163.7 | 0 | 0 | 111 | S501 H507 V517 S521 R525 | S501-E503 VanDerWaalsContact C-N 3.25Å; S501-E503 PolarHBondContact O-N 3.44Å; E503-H507 WeakPolarHBondContact O-CB 3.49Å; E503-H507 PolarHBondContact O-CD2 3.13Å; E503-H507 VanDerWaalsContact O-CD2 3.22Å; E503-H507 PolarHBondContact O-N 2.86Å; E503-V517 HydrophobicContact CB-CG1 4.35Å; E503-V517 HydrophobicContact CG-CG1 4.44Å; E503-S521 VanDerWaalsContact CG-OG 3.25Å; E503-S521 WeakPolarHBondContact CG-OG 3.42Å; E503-R525 IonicContact OE1-CZ 3.8Å; E503-R525 IonicContact OE1-NH2 3.96Å; E503-R525 PolarHBondContact OE1-NH2 2.96Å |
| 504 | D | 88.1 | Confident | 81.3 | Confident | 108 Ų | 108 | 60.6 Ų | 60.6 | 58% | 0.578 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -67.5 | -45.6 | 179.1 | -58.9 | -38.1 | 0 | 0 | 0 | 111.2 | S501 L502 L506 H507 E508 | S501-D504 PolarHBondContact O-N 3.21Å; S501-D504 VanDerWaalsContact O-N 3.17Å; L502-D504 VanDerWaalsContact C-N 3.34Å; D504-L506 VanDerWaalsContact C-N 3.33Å; D504-L506 PolarHBondContact O-N 3.29Å; D504-H507 CarbonylContact O-C 3.6Å; D504-H507 WeakPolarHBondContact O-CA 3.15Å; D504-H507 WeakPolarHBondContact O-CB 3.48Å; D504-H507 PolarHBondContact O-N 2.92Å; D504-E508 PolarHBondContact O-N 2.98Å |
| 505 | T | 86.4 | Confident | 82.6 | Confident | 55 Ų | 55 | 61 Ų | 61 | 34% | 0.337 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.4 | -41.1 | 178.8 | -48.5 | 0 | 0 | 0 | 0 | 111.3 | S501 L502 H507 E508 | S501-T505 WeakPolarHBondContact O-CB 3.25Å; S501-T505 PolarHBondContact O-N 3.47Å; S501-T505 PolarHBondContact O-OG1 3.26Å; L502-T505 PolarHBondContact O-N 3.3Å; T505-H507 VanDerWaalsContact C-N 3.33Å; T505-E508 PolarHBondContact O-N 3.16Å |
| 506 | L | 89.2 | Confident | 84 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.5 | -35.3 | 175.1 | -72.6 | 175.2 | 0 | 0 | 0 | 111.6 | L502 D504 E508 R509 V510 V517 L554 A557 L558 | L502-L506 HydrophobicContact CD1-CD1 4.25Å; L502-L506 HydrophobicContact CD1-CG 4.19Å; L502-L506 HydrophobicContact CG-CD1 4.05Å; L502-L506 HydrophobicContact CG-CG 4.39Å; L502-L506 WeakPolarHBondContact O-CB 3.49Å; L502-L506 VanDerWaalsContact O-CG 3.23Å; L502-L506 WeakPolarHBondContact O-CG 3.4Å; L502-L506 PolarHBondContact O-N 2.89Å; D504-L506 VanDerWaalsContact C-N 3.33Å; D504-L506 PolarHBondContact O-N 3.29Å; L506-E508 VanDerWaalsContact C-N 3.32Å; L506-E508 PolarHBondContact O-N 3.39Å; L506-R509 PolarHBondContact O-N 2.85Å; L506-V510 WeakPolarHBondContact O-CB 3.32Å; L506-V510 PolarHBondContact O-N 2.89Å; L506-V517 HydrophobicContact CB-CG1 3.71Å; L506-V517 HydrophobicContact CB-CG2 4.45Å; L506-V517 HydrophobicContact CD1-CG1 4Å; L506-L554 HydrophobicContact CD2-CD1 4.48Å; L506-A557 HydrophobicContact CD2-CB 3.82Å; L506-L558 HydrophobicContact CD1-CD1 4.44Å; L506-L558 HydrophobicContact CD2-CB 4.5Å |
| 507 | H | 87.8 | Confident | 85.2 | Confident | 56 Ų | 56 | 56.3 Ų | 56.3 | 26% | 0.259 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -70.1 | -22.9 | 176.5 | -87.1 | -48.7 | 0 | 0 | 0 | 114.2 | E503 D504 T505 R509 V510 G512 | E503-H507 WeakPolarHBondContact O-CB 3.49Å; E503-H507 PolarHBondContact O-CD2 3.13Å; E503-H507 VanDerWaalsContact O-CD2 3.22Å; E503-H507 PolarHBondContact O-N 2.86Å; D504-H507 CarbonylContact O-C 3.6Å; D504-H507 WeakPolarHBondContact O-CA 3.15Å; D504-H507 WeakPolarHBondContact O-CB 3.48Å; D504-H507 PolarHBondContact O-N 2.92Å; T505-H507 VanDerWaalsContact C-N 3.33Å; H507-R509 PolarHBondContact O-N 3.23Å; H507-V510 PolarHBondContact ND1-O 3.2Å; H507-G512 PolarHBondContact CE1-O 3.43Å |
| 508 | E | 85.8 | Confident | 86 | Confident | 151 Ų | 151 | 53.3 Ų | 53.3 | 71% | 0.706 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -63.1 | -32.7 | 170.9 | -67.9 | 179.9 | 178.6 | 0 | 0 | 112.3 | D504 T505 L506 | D504-E508 PolarHBondContact O-N 2.98Å; T505-E508 PolarHBondContact O-N 3.16Å; L506-E508 VanDerWaalsContact C-N 3.32Å; L506-E508 PolarHBondContact O-N 3.39Å |
| 509 | R | 84.8 | Confident | 86.9 | Confident | 31 Ų | 31 | 47.3 Ų | 47.3 | 12% | 0.117 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -103.4 | -29.6 | -178 | -169.7 | 167.1 | 179.4 | 178.6 | 8.1 | 113.7 | L506 H507 A557 E560 D566 M725 | L506-R509 PolarHBondContact O-N 2.85Å; H507-R509 PolarHBondContact O-N 3.23Å; R509-A557 HydrophobicContact CB-CB 4.11Å; R509-A557 HydrophobicContact CG-CB 4.07Å; R509-E560 IonicContact CZ-OE2 3.9Å; R509-E560 IonicContact NE-OE2 3.61Å; R509-E560 VanDerWaalsContact NH1-CD 3.28Å; R509-E560 IonicContact NH1-OE1 2.72Å; R509-E560 IonicContact NH1-OE2 2.87Å; R509-E560 PolarHBondContact NH1-OE2 3.35Å; R509-D566 IonicContact CZ-OD1 2.75Å; R509-D566 IonicContact CZ-OD2 2.98Å; R509-D566 IonicContact NH1-OD1 3.82Å; R509-D566 PolarHBondContact NH1-OD1 2.72Å; R509-D566 IonicContact NH1-OD2 3.76Å; R509-D566 PolarHBondContact NH1-OD2 2.68Å; R509-D566 IonicContact NH2-OD1 2.68Å; R509-D566 PolarHBondContact NH2-OD1 3.27Å; R509-D566 IonicContact NH2-OD2 3.76Å; R509-D566 PolarHBondContact NH2-OD2 3.05Å; R509-M725 VanDerWaalsContact O-SD 3.4Å |
| 510 | V | 88.4 | Confident | 87.5 | Confident | 6 Ų | 6 | 46.3 Ų | 46.3 | 4% | 0.036 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -115 | 102.8 | -177.6 | -174.6 | 0 | 0 | 0 | 0 | 109.7 | L506 H507 L554 A557 | L506-V510 WeakPolarHBondContact O-CB 3.32Å; L506-V510 PolarHBondContact O-N 2.89Å; H507-V510 PolarHBondContact ND1-O 3.2Å; V510-L554 HydrophobicContact CB-CD1 4.38Å; V510-L554 HydrophobicContact CG1-CD1 4.38Å; V510-L554 HydrophobicContact CG2-CB 4.22Å; V510-L554 HydrophobicContact CG2-CD1 3.9Å; V510-A557 HydrophobicContact CG2-CB 3.87Å |
| 511 | I | 86.4 | Confident | 87.9 | Confident | 28 Ų | 28 | 40.8 Ų | 40.8 | 14% | 0.144 | 21% | 0.209 | C | C | . | . | trans | -78.2 | 132.6 | 177 | -55.7 | -54 | 0 | 0 | 0 | 110.3 | E718 E721 I722 | I511-E718 HydrophobicContact CG2-CB 3.96Å; I511-E718 HydrophobicContact CG2-CG 4.12Å; I511-E721 HydrophobicContact CD1-CB 4.29Å; I511-E721 HydrophobicContact CG1-CB 4.14Å; I511-E721 HydrophobicContact CG2-CB 3.75Å; I511-E721 WeakPolarHBondContact CG2-OE2 3.38Å; I511-I722 HydrophobicContact CB-CD1 4.49Å; I511-I722 HydrophobicContact CB-CG1 3.83Å; I511-I722 HydrophobicContact CG1-CG1 4.02Å; I511-I722 HydrophobicContact CG2-CG1 4.3Å | ||
| 512 | G | 85.4 | Confident | 88.1 | Confident | 9 Ų | 9 | 43.8 Ų | 43.8 | 9% | 0.093 | 22% | 0.217 | C | C | . | . | S | Bend | trans | 77.2 | -157.1 | -177 | 0 | 0 | 0 | 0 | 0 | 113.1 | H507 K514 E718 | H507-G512 PolarHBondContact CE1-O 3.43Å; G512-K514 VanDerWaalsContact C-N 3.28Å; G512-K514 PolarHBondContact O-N 2.95Å; G512-K514 VanDerWaalsContact O-N 3.14Å; G512-E718 WeakPolarHBondContact CA-OE1 3.47Å |
| 513 | Q | 87.5 | Confident | 88.2 | Confident | 3 Ų | 3 | 43.7 Ų | 43.7 | 1% | 0.014 | 22% | 0.217 | C | C | . | . | trans | 52.7 | 39.7 | 172.7 | -47 | -61.8 | -16.7 | 0 | 0 | 114.4 | D515 A516 V517 F711 H712 | Q513-D515 PolarHBondContact O-N 3.29Å; Q513-D515 VanDerWaalsContact O-N 3.16Å; Q513-A516 HydrophobicContact CB-CB 4.06Å; Q513-A516 WeakPolarHBondContact O-CA 3.48Å; Q513-A516 VanDerWaalsContact O-CB 3.29Å; Q513-A516 WeakPolarHBondContact O-CB 3.46Å; Q513-A516 PolarHBondContact O-N 2.63Å; Q513-V517 PolarHBondContact O-N 2.9Å; Q513-F711 HydrophobicContact CB-CD1 4.3Å; Q513-F711 HydrophobicContact CB-CE1 4.34Å; Q513-F711 HydrophobicContact CG-CD1 3.66Å; Q513-F711 HydrophobicContact CG-CE1 4.03Å; Q513-F711 VanDerWaalsContact OE1-CA 3.27Å; Q513-H712 WeakPolarHBondContact CA-NE2 3.34Å; Q513-H712 PolarHBondContact N-NE2 3.13Å; Q513-H712 PolarHBondContact NE2-O 3.46Å; Q513-H712 PolarHBondContact OE1-CD2 3.31Å; Q513-H712 PolarHBondContact OE1-NE2 2.88Å | ||
| 514 | K | 88.7 | Confident | 88.1 | Confident | 150 Ų | 150 | 41.4 Ų | 41.4 | 65% | 0.652 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -54.5 | -37.4 | -176.6 | -64.4 | -177.5 | 177.7 | -179.9 | 0 | 113.1 | G512 A516 V517 N518 | G512-K514 VanDerWaalsContact C-N 3.28Å; G512-K514 PolarHBondContact O-N 2.95Å; G512-K514 VanDerWaalsContact O-N 3.14Å; K514-A516 VanDerWaalsContact C-N 3.31Å; K514-A516 PolarHBondContact O-N 2.94Å; K514-V517 PolarHBondContact O-N 3.45Å; K514-N518 VanDerWaalsContact O-CB 3.23Å; K514-N518 WeakPolarHBondContact O-CB 3.35Å; K514-N518 PolarHBondContact O-N 2.79Å |
| 515 | D | 86.9 | Confident | 88 | Confident | 96 Ų | 96 | 40.1 Ų | 40.1 | 51% | 0.513 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.9 | -40.6 | 176.5 | -70.5 | -12.3 | 0 | 0 | 0 | 111.9 | Q513 S519 Y682 | Q513-D515 PolarHBondContact O-N 3.29Å; Q513-D515 VanDerWaalsContact O-N 3.16Å; D515-S519 WeakPolarHBondContact O-CB 3.35Å; D515-S519 PolarHBondContact O-N 2.83Å; D515-S519 VanDerWaalsContact O-N 3.1Å; D515-Y682 PolarHBondContact OD2-OH 3.49Å |
| 516 | A | 89.2 | Confident | 87.9 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.7 | -49.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q513 K514 N518 S519 I520 L554 I709 F711 | Q513-A516 HydrophobicContact CB-CB 4.06Å; Q513-A516 WeakPolarHBondContact O-CA 3.48Å; Q513-A516 VanDerWaalsContact O-CB 3.29Å; Q513-A516 WeakPolarHBondContact O-CB 3.46Å; Q513-A516 PolarHBondContact O-N 2.63Å; K514-A516 VanDerWaalsContact C-N 3.31Å; K514-A516 PolarHBondContact O-N 2.94Å; A516-N518 PolarHBondContact O-N 3.21Å; A516-S519 PolarHBondContact O-N 2.82Å; A516-I520 WeakPolarHBondContact O-CG1 3.25Å; A516-I520 PolarHBondContact O-N 3.43Å; A516-I520 VanDerWaalsContact O-N 3.13Å; A516-L554 HydrophobicContact CB-CD2 3.72Å; A516-I709 HydrophobicContact CB-CG2 3.34Å; A516-F711 HydrophobicContact CB-CE1 4.45Å; A516-F711 HydrophobicContact CB-CE2 4.27Å; A516-F711 HydrophobicContact CB-CZ 4.05Å |
| 517 | V | 91.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62 | -43.8 | -179.7 | 175.6 | 0 | 0 | 0 | 0 | 111 | E503 L506 Q513 K514 S521 L554 | E503-V517 HydrophobicContact CB-CG1 4.35Å; E503-V517 HydrophobicContact CG-CG1 4.44Å; L506-V517 HydrophobicContact CB-CG1 3.71Å; L506-V517 HydrophobicContact CB-CG2 4.45Å; L506-V517 HydrophobicContact CD1-CG1 4Å; Q513-V517 PolarHBondContact O-N 2.9Å; K514-V517 PolarHBondContact O-N 3.45Å; V517-S521 VanDerWaalsContact O-CB 3.26Å; V517-S521 WeakPolarHBondContact O-CB 3.27Å; V517-S521 PolarHBondContact O-N 3.27Å; V517-S521 PolarHBondContact O-OG 3.2Å; V517-L554 HydrophobicContact CG2-CD1 3.99Å |
| 518 | N | 90.7 | Very high | 86.9 | Confident | 53 Ų | 53 | 45 Ų | 45 | 28% | 0.283 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65.4 | -43.6 | 179.7 | -169.7 | -23.9 | 0 | 0 | 0 | 112 | K514 A516 S521 K522 | K514-N518 VanDerWaalsContact O-CB 3.23Å; K514-N518 WeakPolarHBondContact O-CB 3.35Å; K514-N518 PolarHBondContact O-N 2.79Å; A516-N518 PolarHBondContact O-N 3.21Å; N518-S521 PolarHBondContact O-N 3.34Å; N518-K522 WeakPolarHBondContact O-CB 3.34Å; N518-K522 WeakPolarHBondContact O-CG 3.38Å; N518-K522 PolarHBondContact O-N 3.31Å; N518-K522 VanDerWaalsContact OD1-CD 3.27Å; N518-K522 WeakPolarHBondContact OD1-CD 3.2Å; N518-K522 WeakPolarHBondContact OD1-CE 3.31Å; N518-K522 PolarHBondContact OD1-NZ 2.89Å |
| 519 | S | 89.4 | Confident | 86.5 | Confident | 17 Ų | 17 | 41.1 Ų | 41.1 | 12% | 0.119 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.5 | -48.1 | 178.2 | 176.3 | 0 | 0 | 0 | 0 | 112.2 | D515 A516 S521 K522 A523 D707 | D515-S519 WeakPolarHBondContact O-CB 3.35Å; D515-S519 PolarHBondContact O-N 2.83Å; D515-S519 VanDerWaalsContact O-N 3.1Å; A516-S519 PolarHBondContact O-N 2.82Å; S519-S521 PolarHBondContact O-N 3.26Å; S519-K522 PolarHBondContact O-N 3.36Å; S519-A523 PolarHBondContact O-N 3.18Å; S519-D707 WeakPolarHBondContact CB-OD2 3.47Å; S519-D707 PolarHBondContact OG-OD2 3.23Å |
| 520 | I | 91 | Very high | 86.1 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.5 | -48.3 | 177.9 | -65.8 | 171.4 | 0 | 0 | 0 | 110.4 | A516 K522 A523 V524 F541 F543 L554 L558 I709 | A516-I520 WeakPolarHBondContact O-CG1 3.25Å; A516-I520 PolarHBondContact O-N 3.43Å; A516-I520 VanDerWaalsContact O-N 3.13Å; I520-K522 VanDerWaalsContact C-N 3.31Å; I520-K522 PolarHBondContact O-N 2.88Å; I520-A523 PolarHBondContact O-N 3.24Å; I520-A523 VanDerWaalsContact O-N 3.13Å; I520-V524 HydrophobicContact CG2-CG2 4.21Å; I520-V524 WeakPolarHBondContact O-CG2 3.17Å; I520-V524 PolarHBondContact O-N 3.18Å; I520-F541 HydrophobicContact CB-CZ 4.34Å; I520-F541 HydrophobicContact CG1-CD1 4.41Å; I520-F541 HydrophobicContact CG1-CD2 4.43Å; I520-F541 HydrophobicContact CG1-CE1 4.21Å; I520-F541 HydrophobicContact CG1-CE2 4.22Å; I520-F541 HydrophobicContact CG1-CZ 4.1Å; I520-F541 HydrophobicContact CG2-CE2 4.44Å; I520-F541 HydrophobicContact CG2-CZ 4.44Å; I520-F543 HydrophobicContact CD1-CE1 4Å; I520-F543 HydrophobicContact CD1-CZ 3.52Å; I520-F543 HydrophobicContact CG1-CZ 4.45Å; I520-L554 HydrophobicContact CD1-CD1 4.22Å; I520-L554 HydrophobicContact CD1-CD2 3.37Å; I520-L554 HydrophobicContact CD1-CG 3.7Å; I520-L558 HydrophobicContact CG2-CD1 3.71Å; I520-L558 HydrophobicContact CG2-CD2 3.65Å; I520-L558 HydrophobicContact CG2-CG 4.31Å; I520-I709 HydrophobicContact CD1-CD1 4.26Å; I520-I709 HydrophobicContact CG1-CD1 3.8Å |
| 521 | S | 90.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62 | -38.2 | -178.5 | -59.3 | 0 | 0 | 0 | 0 | 112.2 | E503 V517 N518 S519 R525 | E503-S521 VanDerWaalsContact CG-OG 3.25Å; E503-S521 WeakPolarHBondContact CG-OG 3.42Å; V517-S521 VanDerWaalsContact O-CB 3.26Å; V517-S521 WeakPolarHBondContact O-CB 3.27Å; V517-S521 PolarHBondContact O-N 3.27Å; V517-S521 PolarHBondContact O-OG 3.2Å; N518-S521 PolarHBondContact O-N 3.34Å; S519-S521 PolarHBondContact O-N 3.26Å; S521-R525 VanDerWaalsContact O-CB 3.31Å; S521-R525 WeakPolarHBondContact O-CB 3.35Å; S521-R525 WeakPolarHBondContact O-CG 3.45Å; S521-R525 PolarHBondContact O-N 3.07Å; S521-R525 PolarHBondContact O-NE 3.48Å |
| 522 | K | 88.7 | Confident | 85.3 | Confident | 102 Ų | 102 | 49.4 Ų | 49.4 | 44% | 0.443 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 172.8 | -79.7 | 172 | 173.8 | 150 | 0 | 113 | N518 S519 I520 R526 | N518-K522 WeakPolarHBondContact O-CB 3.34Å; N518-K522 WeakPolarHBondContact O-CG 3.38Å; N518-K522 PolarHBondContact O-N 3.31Å; N518-K522 VanDerWaalsContact OD1-CD 3.27Å; N518-K522 WeakPolarHBondContact OD1-CD 3.2Å; N518-K522 WeakPolarHBondContact OD1-CE 3.31Å; N518-K522 PolarHBondContact OD1-NZ 2.89Å; S519-K522 PolarHBondContact O-N 3.36Å; I520-K522 VanDerWaalsContact C-N 3.31Å; I520-K522 PolarHBondContact O-N 2.88Å; K522-R526 WeakPolarHBondContact O-CG 3.42Å; K522-R526 PolarHBondContact O-N 3.33Å; K522-R526 PolarHBondContact O-NE 3.03Å |
| 523 | A | 86.6 | Confident | 85.1 | Confident | 3 Ų | 3 | 53 Ų | 53 | 3% | 0.025 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.7 | -43.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S519 I520 R526 A527 F541 | S519-A523 PolarHBondContact O-N 3.18Å; I520-A523 PolarHBondContact O-N 3.24Å; I520-A523 VanDerWaalsContact O-N 3.13Å; A523-R526 PolarHBondContact O-N 3.02Å; A523-A527 PolarHBondContact O-N 2.91Å; A523-A527 VanDerWaalsContact O-N 3.09Å; A523-F541 HydrophobicContact CB-CE1 3.79Å; A523-F541 HydrophobicContact CB-CZ 3.49Å; A523-F541 VanDerWaalsContact CB-CZ 3.49Å |
| 524 | V | 86.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.8 | -46.5 | 175.1 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | L499 L502 I520 R526 A527 R528 L558 M562 I653 | L499-V524 HydrophobicContact CD2-CG1 4.08Å; L502-V524 HydrophobicContact CD2-CB 4.06Å; L502-V524 HydrophobicContact CD2-CG1 3.82Å; I520-V524 HydrophobicContact CG2-CG2 4.21Å; I520-V524 WeakPolarHBondContact O-CG2 3.17Å; I520-V524 PolarHBondContact O-N 3.18Å; V524-R526 VanDerWaalsContact C-N 3.33Å; V524-R526 PolarHBondContact O-N 2.85Å; V524-A527 PolarHBondContact O-N 2.97Å; V524-R528 HydrophobicContact CG1-CG 4.44Å; V524-R528 PolarHBondContact O-N 2.84Å; V524-L558 HydrophobicContact CG2-CD1 4.38Å; V524-M562 HydrophobicContact CG1-CE 3.4Å; V524-M562 VanDerWaalsContact CG1-CE 3.4Å; V524-M562 HydrophobicContact CG1-SD 3.5Å; V524-M562 WeakPolarHBondContact CG1-SD 3.23Å; V524-I653 HydrophobicContact CG2-CD1 4.09Å |
| 525 | R | 85.7 | Confident | 84.5 | Confident | 81 Ų | 81 | 57.1 Ų | 57.1 | 31% | 0.306 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.5 | -42.3 | 176.2 | -77.1 | -174 | -70.1 | 170.8 | -8.7 | 112.3 | E503 S521 A527 R528 A529 | E503-R525 IonicContact OE1-CZ 3.8Å; E503-R525 IonicContact OE1-NH2 3.96Å; E503-R525 PolarHBondContact OE1-NH2 2.96Å; S521-R525 VanDerWaalsContact O-CB 3.31Å; S521-R525 WeakPolarHBondContact O-CB 3.35Å; S521-R525 WeakPolarHBondContact O-CG 3.45Å; S521-R525 PolarHBondContact O-N 3.07Å; S521-R525 PolarHBondContact O-NE 3.48Å; R525-A527 PolarHBondContact O-N 2.87Å; R525-R528 PolarHBondContact O-N 3.29Å; R525-A529 VanDerWaalsContact O-CB 3.23Å; R525-A529 WeakPolarHBondContact O-CB 3.36Å; R525-A529 PolarHBondContact O-N 2.96Å |
| 526 | R | 84.5 | Confident | 84.5 | Confident | 131 Ų | 131 | 55.4 Ų | 55.4 | 49% | 0.494 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 175.9 | -76.1 | -177.7 | -66.7 | 168.3 | 0.3 | 112.5 | K522 A523 V524 L531 K532 | K522-R526 WeakPolarHBondContact O-CG 3.42Å; K522-R526 PolarHBondContact O-N 3.33Å; K522-R526 PolarHBondContact O-NE 3.03Å; A523-R526 PolarHBondContact O-N 3.02Å; V524-R526 VanDerWaalsContact C-N 3.33Å; V524-R526 PolarHBondContact O-N 2.85Å; R526-L531 PolarHBondContact O-N 3.41Å; R526-L531 VanDerWaalsContact O-N 3.1Å; R526-K532 PolarHBondContact O-N 2.88Å |
| 527 | A | 80.9 | Confident | 84.6 | Confident | 16 Ų | 16 | 55.5 Ų | 55.5 | 13% | 0.132 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.1 | -44.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A523 V524 R525 G530 K532 I538 | A523-A527 PolarHBondContact O-N 2.91Å; A523-A527 VanDerWaalsContact O-N 3.09Å; V524-A527 PolarHBondContact O-N 2.97Å; R525-A527 PolarHBondContact O-N 2.87Å; A527-G530 PolarHBondContact O-N 3.38Å; A527-G530 VanDerWaalsContact O-N 3.12Å; A527-K532 HydrophobicContact CB-CB 4.18Å; A527-K532 HydrophobicContact CB-CD 4Å; A527-I538 HydrophobicContact CB-CB 4.33Å; A527-I538 HydrophobicContact CB-CG2 3.66Å |
| 528 | R | 76.5 | Confident | 84.4 | Confident | 68 Ų | 68 | 56.1 Ų | 56.1 | 26% | 0.257 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -70 | -32.1 | 179 | -72.1 | -70.5 | -178 | 164.3 | 0.8 | 113.2 | E495 L499 V524 R525 G530 | E495-R528 IonicContact OE1-NH1 2.9Å; L499-R528 HydrophobicContact CD1-CB 3.72Å; L499-R528 HydrophobicContact CD1-CG 3.97Å; L499-R528 HydrophobicContact CD2-CG 4.2Å; V524-R528 HydrophobicContact CG1-CG 4.44Å; V524-R528 PolarHBondContact O-N 2.84Å; R525-R528 PolarHBondContact O-N 3.29Å; R528-G530 PolarHBondContact O-N 2.99Å; R528-G530 VanDerWaalsContact O-N 3.15Å |
| 529 | A | 77.3 | Confident | 84.4 | Confident | 68 Ų | 68 | 53.6 Ų | 53.6 | 56% | 0.562 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | R525 L531 | R525-A529 VanDerWaalsContact O-CB 3.23Å; R525-A529 WeakPolarHBondContact O-CB 3.36Å; R525-A529 PolarHBondContact O-N 2.96Å; A529-L531 HydrophobicContact CB-CD1 4.17Å; A529-L531 HydrophobicContact CB-CG 4.13Å; A529-L531 PolarHBondContact O-N 3.18Å |
| 530 | G | 75.5 | Confident | 84.6 | Confident | 56 Ų | 56 | 52.9 Ų | 52.9 | 58% | 0.577 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.2 | 14 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | A527 R528 | A527-G530 PolarHBondContact O-N 3.38Å; A527-G530 VanDerWaalsContact O-N 3.12Å; R528-G530 PolarHBondContact O-N 2.99Å; R528-G530 VanDerWaalsContact O-N 3.15Å |
| 531 | L | 79.3 | Confident | 84.7 | Confident | 143 Ų | 143 | 52.9 Ų | 52.9 | 75% | 0.749 | 28% | 0.275 | S | S | * | . | trans | -87.7 | -8.1 | -179.7 | -62.8 | 175.6 | 0 | 0 | 0 | 112.9 | R526 A529 | R526-L531 PolarHBondContact O-N 3.41Å; R526-L531 VanDerWaalsContact O-N 3.1Å; A529-L531 HydrophobicContact CB-CD1 4.17Å; A529-L531 HydrophobicContact CB-CG 4.13Å; A529-L531 PolarHBondContact O-N 3.18Å | ||
| 532 | K | 79.3 | Confident | 84.9 | Confident | 41 Ų | 41 | 53 Ų | 53 | 18% | 0.178 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -88 | 151.4 | 176.2 | -168.5 | 170.6 | -168.6 | 172 | 0 | 110.8 | R526 A527 P534 P537 I538 D706 | R526-K532 PolarHBondContact O-N 2.88Å; A527-K532 HydrophobicContact CB-CB 4.18Å; A527-K532 HydrophobicContact CB-CD 4Å; K532-P534 WeakPolarHBondContact O-CD 3.47Å; K532-P537 WeakPolarHBondContact CD-O 3.45Å; K532-P537 WeakPolarHBondContact CE-O 3.48Å; K532-P537 PolarHBondContact NZ-O 3.08Å; K532-I538 VanDerWaalsContact CD-O 3.32Å; K532-I538 WeakPolarHBondContact CD-O 3.45Å; K532-I538 PolarHBondContact NZ-O 3.14Å; K532-D706 IonicContact NZ-OD1 2.79Å; K532-D706 IonicContact NZ-OD2 3.8Å; K532-D706 PolarHBondContact NZ-OD2 2.89Å |
| 533 | D | 81.5 | Confident | 85.1 | Confident | 84 Ų | 84 | 48.1 Ų | 48.1 | 45% | 0.449 | 25% | 0.254 | S | S | . | . | trans | -56.7 | 119.8 | 169.9 | -170 | -25.3 | 0 | 0 | 0 | 110.1 | K535 R536 | D533-K535 PolarHBondContact O-N 3.48Å; D533-K535 VanDerWaalsContact O-N 3.14Å; D533-K535 WeakPolarHBondContact OD1-CB 3.28Å; D533-K535 PolarHBondContact OD1-N 3.47Å; D533-R536 HydrophobicContact CB-CG 4.4Å; D533-R536 PolarHBondContact O-N 3.31Å; D533-R536 VanDerWaalsContact O-N 3.14Å | ||
| 534 | P | 79 | Confident | 85.3 | Confident | 105 Ų | 105 | 48 Ų | 48 | 68% | 0.682 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -14.3 | -178.7 | 27.6 | -36.4 | 0 | 0 | 0 | 113.4 | K532 R650 | K532-P534 WeakPolarHBondContact O-CD 3.47Å; P534-R650 WeakPolarHBondContact O-CD 3.48Å; P534-R650 WeakPolarHBondContact O-CG 3.41Å |
| 535 | K | 83.7 | Confident | 85.3 | Confident | 135 Ų | 135 | 48 Ų | 48 | 59% | 0.587 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -12.4 | 176.6 | -64.4 | -174.6 | 177.6 | -174.4 | 0 | 113.4 | D533 D636 G637 | D533-K535 PolarHBondContact O-N 3.48Å; D533-K535 VanDerWaalsContact O-N 3.14Å; D533-K535 WeakPolarHBondContact OD1-CB 3.28Å; D533-K535 PolarHBondContact OD1-N 3.47Å; K535-D636 CarbonylContact O-C 3.55Å; K535-G637 WeakPolarHBondContact O-CA 3.38Å; K535-G637 PolarHBondContact O-N 2.94Å; K535-G637 VanDerWaalsContact O-N 3.09Å |
| 536 | R | 88.1 | Confident | 85.2 | Confident | 60 Ų | 60 | 44.9 Ų | 44.9 | 23% | 0.226 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -103.6 | 156 | -176.9 | -67.1 | -177.8 | 71.4 | -156.6 | -6.4 | 111.2 | D533 L634 D635 R704 D706 | D533-R536 HydrophobicContact CB-CG 4.4Å; D533-R536 PolarHBondContact O-N 3.31Å; D533-R536 VanDerWaalsContact O-N 3.14Å; R536-L634 PolarHBondContact NE-O 3.34Å; R536-L634 VanDerWaalsContact NE-O 3.09Å; R536-D635 WeakPolarHBondContact CG-O 3.21Å; R536-R704 PolarHBondContact NH2-O 3.34Å; R536-D706 IonicContact NH1-OD1 2.92Å; R536-D706 IonicContact NH2-OD1 2.76Å |
| 537 | P | 90.4 | Very high | 85.1 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.013 | 23% | 0.228 | C | C | . | . | trans | -53.2 | 161.4 | 171.3 | -24.8 | 34.2 | 0 | 0 | 0 | 112.1 | K532 G539 V633 F649 R650 T652 I654 | K532-P537 WeakPolarHBondContact CD-O 3.45Å; K532-P537 WeakPolarHBondContact CE-O 3.48Å; K532-P537 PolarHBondContact NZ-O 3.08Å; P537-G539 VanDerWaalsContact C-N 3.26Å; P537-G539 PolarHBondContact O-N 3.25Å; P537-V633 WeakPolarHBondContact CG-O 3.32Å; P537-F649 WeakPolarHBondContact CA-O 3.27Å; P537-R650 CarbonylContact C-O 3.48Å; P537-R650 WeakPolarHBondContact CA-O 3.39Å; P537-T652 WeakPolarHBondContact CB-O 3.3Å; P537-I654 HydrophobicContact CB-CD1 4.05Å; P537-I654 HydrophobicContact CB-CG1 4.33Å; P537-I654 HydrophobicContact CG-CD1 3.66Å; P537-I654 HydrophobicContact CG-CG1 4.46Å | ||
| 538 | I | 87.4 | Confident | 85.1 | Confident | 13 Ų | 13 | 40.2 Ų | 40.2 | 7% | 0.067 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -58.3 | -38.7 | -179.2 | -65 | 177 | 0 | 0 | 0 | 111.6 | A527 K532 R650 N651 T652 I653 | A527-I538 HydrophobicContact CB-CB 4.33Å; A527-I538 HydrophobicContact CB-CG2 3.66Å; K532-I538 VanDerWaalsContact CD-O 3.32Å; K532-I538 WeakPolarHBondContact CD-O 3.45Å; K532-I538 PolarHBondContact NZ-O 3.14Å; I538-R650 PolarHBondContact N-O 2.93Å; I538-N651 WeakPolarHBondContact CD1-O 3.38Å; I538-T652 PolarHBondContact N-O 2.65Å; I538-I653 HydrophobicContact CB-CG1 3.85Å; I538-I653 HydrophobicContact CG2-CD1 4.24Å; I538-I653 HydrophobicContact CG2-CG1 3.87Å |
| 539 | G | 90.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 143.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | P537 I654 D706 | P537-G539 VanDerWaalsContact C-N 3.26Å; P537-G539 PolarHBondContact O-N 3.25Å; G539-I654 PolarHBondContact O-N 3.27Å; G539-D706 WeakPolarHBondContact CA-OD2 3.48Å |
| 540 | S | 93.3 | Very high | 86.1 | Confident | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.014 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 125.4 | 171.4 | 56.3 | 0 | 0 | 0 | 0 | 111 | I654 R704 V705 D706 D707 | S540-I654 CarbonylContact C-O 3.43Å; S540-I654 WeakPolarHBondContact CA-O 3.49Å; S540-R704 PolarHBondContact OG-O 3.44Å; S540-V705 VanDerWaalsContact O-CG1 3.23Å; S540-V705 WeakPolarHBondContact O-CG1 3.38Å; S540-V705 WeakPolarHBondContact OG-CA 3.41Å; S540-D706 PolarHBondContact N-OD2 2.84Å; S540-D706 WeakPolarHBondContact O-CB 3.38Å; S540-D706 PolarHBondContact O-N 3.28Å; S540-D706 PolarHBondContact OG-N 3.15Å; S540-D707 PolarHBondContact O-N 3.06Å |
| 541 | F | 94.4 | Very high | 86.8 | Confident | 1 Ų | 1 | 33 Ų | 33 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 145.5 | -173.9 | -49.4 | -79.8 | 0 | 0 | 0 | 112.5 | I520 A523 F543 I653 I654 I655 M656 D707 I709 | I520-F541 HydrophobicContact CB-CZ 4.34Å; I520-F541 HydrophobicContact CG1-CD1 4.41Å; I520-F541 HydrophobicContact CG1-CD2 4.43Å; I520-F541 HydrophobicContact CG1-CE1 4.21Å; I520-F541 HydrophobicContact CG1-CE2 4.22Å; I520-F541 HydrophobicContact CG1-CZ 4.1Å; I520-F541 HydrophobicContact CG2-CE2 4.44Å; I520-F541 HydrophobicContact CG2-CZ 4.44Å; A523-F541 HydrophobicContact CB-CE1 3.79Å; A523-F541 HydrophobicContact CB-CZ 3.49Å; A523-F541 VanDerWaalsContact CB-CZ 3.49Å; F541-F543 HydrophobicContact CB-CD1 4.06Å; F541-F543 HydrophobicContact CB-CE1 3.58Å; F541-F543 HydrophobicContact CG-CE1 4.23Å; F541-I653 HydrophobicContact CD2-CG2 4.15Å; F541-I653 HydrophobicContact CE2-CG2 3.82Å; F541-I654 PolarHBondContact N-O 2.95Å; F541-I655 HydrophobicContact CD2-CG1 4.26Å; F541-M656 PolarHBondContact O-N 3.46Å; F541-D707 WeakPolarHBondContact CA-O 3.5Å; F541-D707 HydrophobicContact CD1-CB 4.17Å; F541-I709 HydrophobicContact CD1-CD1 4.03Å; F541-I709 HydrophobicContact CG-CD1 4.47Å |
| 542 | I | 93.7 | Very high | 87.3 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 123.3 | 165.1 | -65.4 | 170.5 | 0 | 0 | 0 | 108.7 | L544 M656 L693 F701 L702 V705 D707 I708 I709 | I542-L544 HydrophobicContact CG2-CG 4.26Å; I542-M656 CarbonylContact C-O 3.56Å; I542-M656 VanDerWaalsContact CA-O 3.31Å; I542-M656 WeakPolarHBondContact CA-O 3.35Å; I542-M656 HydrophobicContact CD1-CE 4.5Å; I542-M656 HydrophobicContact CG1-CB 4.21Å; I542-M656 HydrophobicContact CG1-CE 3.77Å; I542-M656 HydrophobicContact CG1-SD 4.45Å; I542-L693 HydrophobicContact CG2-CD1 4.16Å; I542-F701 HydrophobicContact CD1-CE1 4.22Å; I542-L702 HydrophobicContact CD1-CD2 3.74Å; I542-V705 HydrophobicContact CD1-CB 4.48Å; I542-V705 HydrophobicContact CD1-CG1 4.34Å; I542-V705 HydrophobicContact CD1-CG2 3.83Å; I542-V705 HydrophobicContact CG1-CG1 4Å; I542-V705 HydrophobicContact CG1-CG2 4.13Å; I542-D707 PolarHBondContact N-O 2.94Å; I542-I708 HydrophobicContact CB-CG1 4.39Å; I542-I708 HydrophobicContact CB-CG2 4.4Å; I542-I708 HydrophobicContact CD1-CG1 4.47Å; I542-I708 HydrophobicContact CG2-CG2 4.49Å; I542-I709 PolarHBondContact O-N 2.96Å |
| 543 | F | 93.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 106.9 | 176.6 | -67.3 | 0.2 | 0 | 0 | 0 | 110.3 | I520 F541 K551 L554 I655 M656 T657 S658 I709 F711 | I520-F543 HydrophobicContact CD1-CE1 4Å; I520-F543 HydrophobicContact CD1-CZ 3.52Å; I520-F543 HydrophobicContact CG1-CZ 4.45Å; F541-F543 HydrophobicContact CB-CD1 4.06Å; F541-F543 HydrophobicContact CB-CE1 3.58Å; F541-F543 HydrophobicContact CG-CE1 4.23Å; F543-K551 HydrophobicContact CB-CB 4.32Å; F543-K551 HydrophobicContact CB-CD 3.97Å; F543-K551 HydrophobicContact CB-CG 4.07Å; F543-K551 HydrophobicContact CD2-CB 4.13Å; F543-K551 WeakPolarHBondContact CD2-O 3.48Å; F543-K551 WeakPolarHBondContact CE2-O 3.45Å; F543-K551 WeakPolarHBondContact O-CD 3.4Å; F543-L554 HydrophobicContact CE2-CB 4.34Å; F543-L554 HydrophobicContact CE2-CD2 4.13Å; F543-L554 HydrophobicContact CE2-CG 4.37Å; F543-L554 HydrophobicContact CZ-CD2 4.04Å; F543-L554 HydrophobicContact CZ-CG 4.45Å; F543-I655 HydrophobicContact CD1-CG2 4.19Å; F543-I655 HydrophobicContact CD2-CG2 3.49Å; F543-I655 VanDerWaalsContact CD2-CG2 3.49Å; F543-I655 HydrophobicContact CE1-CG2 4.04Å; F543-I655 HydrophobicContact CE2-CD1 4.03Å; F543-I655 HydrophobicContact CE2-CG1 4.46Å; F543-I655 HydrophobicContact CE2-CG2 3.35Å; F543-I655 HydrophobicContact CG-CG2 3.91Å; F543-I655 HydrophobicContact CZ-CD1 3.82Å; F543-I655 HydrophobicContact CZ-CG1 4.09Å; F543-I655 HydrophobicContact CZ-CG2 3.62Å; F543-M656 PolarHBondContact N-O 3.41Å; F543-T657 HydrophobicContact CB-CG2 4.46Å; F543-T657 WeakPolarHBondContact O-CA 3.28Å; F543-S658 PolarHBondContact O-N 2.77Å; F543-I709 WeakPolarHBondContact CA-O 3.48Å; F543-I709 HydrophobicContact CD1-CB 3.98Å; F543-I709 HydrophobicContact CD1-CD1 4.18Å; F543-I709 HydrophobicContact CD1-CG1 4.36Å; F543-I709 HydrophobicContact CE1-CB 4.38Å; F543-I709 HydrophobicContact CE1-CD1 3.7Å; F543-I709 HydrophobicContact CE1-CG1 4.35Å; F543-F711 HydrophobicContact CB-CD2 4.18Å; F543-F711 HydrophobicContact CB-CE2 3.64Å; F543-F711 HydrophobicContact CB-CZ 4.47Å; F543-F711 AromaticContact CD1-CE2 3.91Å; F543-F711 HydrophobicContact CD1-CE2 3.91Å; F543-F711 AromaticContact CD2-CE2 3.72Å; F543-F711 HydrophobicContact CD2-CE2 3.72Å; F543-F711 AromaticContact CD2-CZ 3.77Å; F543-F711 HydrophobicContact CD2-CZ 3.77Å; F543-F711 HydrophobicContact CE2-CE2 4.35Å; F543-F711 HydrophobicContact CE2-CZ 4.08Å; F543-F711 HydrophobicContact CG-CD2 4.46Å; F543-F711 AromaticContact CG-CE2 3.48Å; F543-F711 HydrophobicContact CG-CE2 3.48Å; F543-F711 VanDerWaalsContact CG-CE2 3.48Å; F543-F711 HydrophobicContact CG-CZ 4.02Å |
| 544 | L | 90.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 143.1 | 174.5 | -75.6 | 170.2 | 0 | 0 | 0 | 110.8 | I542 M689 L690 L693 I708 I709 V710 F711 | I542-L544 HydrophobicContact CG2-CG 4.26Å; L544-M689 HydrophobicContact CB-SD 4.3Å; L544-M689 HydrophobicContact CD1-CB 4.34Å; L544-L690 HydrophobicContact CD1-CD2 4.45Å; L544-L693 HydrophobicContact CD1-CB 4.24Å; L544-L693 HydrophobicContact CD1-CD1 4.34Å; L544-L693 HydrophobicContact CD1-CD2 4.08Å; L544-L693 HydrophobicContact CD1-CG 4.45Å; L544-L693 HydrophobicContact CD2-CD1 3.91Å; L544-L693 HydrophobicContact CG-CD1 4.41Å; L544-I708 HydrophobicContact CD1-CG2 3.7Å; L544-I708 HydrophobicContact CG-CG2 4.41Å; L544-I709 PolarHBondContact N-O 3.21Å; L544-V710 HydrophobicContact CB-CG2 4.24Å; L544-V710 HydrophobicContact CD1-CG2 4.22Å; L544-F711 WeakPolarHBondContact O-CB 3.42Å; L544-F711 PolarHBondContact O-N 3.49Å |
| 545 | G | 86 | Confident | 88.9 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | S | Bend | trans | 154.3 | 170 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K551 S658 N659 | G545-K551 PolarHBondContact O-NZ 3.45Å; G545-S658 PolarHBondContact N-O 3.39Å; G545-N659 PolarHBondContact O-OD1 3.36Å |
| 546 | P | 82.7 | Confident | 89.3 | Confident | 17 Ų | 17 | 17.3 Ų | 17.3 | 11% | 0.11 | 9% | 0.092 | C | C | . | . | trans | -67.8 | 170.3 | 176.5 | 26.6 | -28.3 | 0 | 0 | 0 | 111.6 | V549 A662 K713 | P546-V549 HydrophobicContact CG-CG1 3.68Å; P546-V549 VanDerWaalsContact O-CG2 3.32Å; P546-V549 WeakPolarHBondContact O-CG2 3.14Å; P546-A662 HydrophobicContact CB-CB 4.33Å; P546-K713 HydrophobicContact CG-CG 4.45Å | ||
| 547 | T | 83 | Confident | 89.4 | Confident | 30 Ų | 30 | 14.6 Ų | 14.6 | 18% | 0.184 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | 146.2 | 178.4 | 71.6 | 0 | 0 | 0 | 0 | 111.2 | V549 E759 Y760 | T547-V549 PolarHBondContact O-N 3.44Å; T547-E759 PolarHBondContact OG1-O 2.83Å; T547-Y760 CarbonylContact O-C 3.42Å |
| 548 | G | 81.7 | Confident | 89.3 | Confident | 18 Ų | 18 | 14.5 Ų | 14.5 | 19% | 0.186 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | 15.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | Y760 A762 | G548-Y760 WeakPolarHBondContact CA-O 3.44Å; G548-A762 WeakPolarHBondContact O-CB 3.49Å; G548-A762 PolarHBondContact O-N 3.36Å |
| 549 | V | 86.4 | Confident | 89.3 | Confident | 7 Ų | 7 | 13.9 Ų | 13.9 | 4% | 0.042 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -92.8 | -1.5 | 177 | -62 | 0 | 0 | 0 | 0 | 115.2 | P546 T547 K551 F711 | P546-V549 HydrophobicContact CG-CG1 3.68Å; P546-V549 VanDerWaalsContact O-CG2 3.32Å; P546-V549 WeakPolarHBondContact O-CG2 3.14Å; T547-V549 PolarHBondContact O-N 3.44Å; V549-K551 HydrophobicContact CG2-CG 4.11Å; V549-F711 HydrophobicContact CB-CB 4.4Å; V549-F711 HydrophobicContact CG2-CB 3.54Å; V549-F711 HydrophobicContact CG2-CD1 3.96Å; V549-F711 HydrophobicContact CG2-CG 4.03Å |
| 550 | G | 87.9 | Confident | 89 | Confident | 20 Ų | 20 | 18.3 Ų | 18.3 | 21% | 0.206 | 10% | 0.1 | C | C | . | . | S | Bend | trans | 109.7 | 7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | T552 E553 L554 | G550-T552 PolarHBondContact O-N 3.41Å; G550-E553 PolarHBondContact O-N 3.37Å; G550-E553 VanDerWaalsContact O-N 3.16Å; G550-L554 PolarHBondContact O-N 2.71Å |
| 551 | K | 89.8 | Confident | 88.6 | Confident | 13 Ų | 13 | 20.2 Ų | 20.2 | 6% | 0.057 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -50.3 | -51.7 | 179.2 | -65.6 | -173.3 | -73 | -175.9 | 0 | 113.3 | F543 G545 V549 A555 T657 S658 N659 F711 | F543-K551 HydrophobicContact CB-CB 4.32Å; F543-K551 HydrophobicContact CB-CD 3.97Å; F543-K551 HydrophobicContact CB-CG 4.07Å; F543-K551 HydrophobicContact CD2-CB 4.13Å; F543-K551 WeakPolarHBondContact CD2-O 3.48Å; F543-K551 WeakPolarHBondContact CE2-O 3.45Å; F543-K551 WeakPolarHBondContact O-CD 3.4Å; G545-K551 PolarHBondContact O-NZ 3.45Å; V549-K551 HydrophobicContact CG2-CG 4.11Å; K551-A555 PolarHBondContact O-N 2.82Å; K551-T657 HydrophobicContact CB-CG2 4.24Å; K551-S658 PolarHBondContact NZ-O 2.89Å; K551-N659 PolarHBondContact NZ-OD1 3.28Å; K551-F711 HydrophobicContact CB-CZ 4.45Å; K551-F711 HydrophobicContact CD-CD2 4.41Å; K551-F711 HydrophobicContact CG-CD1 4.02Å; K551-F711 HydrophobicContact CG-CD2 3.83Å; K551-F711 HydrophobicContact CG-CE1 4.13Å; K551-F711 HydrophobicContact CG-CE2 3.96Å; K551-F711 HydrophobicContact CG-CG 3.87Å; K551-F711 HydrophobicContact CG-CZ 4.1Å |
| 552 | T | 89.7 | Confident | 87.9 | Confident | 32 Ų | 32 | 21.3 Ų | 21.3 | 20% | 0.196 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -73.1 | -34.5 | 179.7 | -48.7 | 0 | 0 | 0 | 0 | 112.5 | G550 L554 A555 R556 L615 | G550-T552 PolarHBondContact O-N 3.41Å; T552-L554 VanDerWaalsContact C-N 3.34Å; T552-A555 WeakPolarHBondContact O-CB 3.41Å; T552-A555 PolarHBondContact O-N 3.25Å; T552-R556 PolarHBondContact O-N 3.35Å; T552-R556 VanDerWaalsContact O-N 3.08Å; T552-L615 HydrophobicContact CG2-CD2 3.75Å |
| 553 | E | 89.7 | Confident | 87.1 | Confident | 75 Ų | 75 | 23 Ų | 23 | 35% | 0.35 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -68.4 | -34.8 | 178.8 | -67.9 | -57.2 | 145.5 | 0 | 0 | 111.7 | G550 R556 A557 | G550-E553 PolarHBondContact O-N 3.37Å; G550-E553 VanDerWaalsContact O-N 3.16Å; E553-R556 PolarHBondContact O-N 3.34Å; E553-R556 IonicContact OE1-CZ 3.26Å; E553-R556 IonicContact OE1-NH1 3.79Å; E553-R556 PolarHBondContact OE1-NH1 2.88Å; E553-R556 IonicContact OE2-NH1 2.97Å; E553-R556 PolarHBondContact OE2-NH1 2.89Å; E553-A557 WeakPolarHBondContact O-CB 3.3Å; E553-A557 PolarHBondContact O-N 3.27Å |
| 554 | L | 92.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.8 | -39.3 | 173.1 | -176.7 | 59.1 | 0 | 0 | 0 | 112.3 | L506 V510 A516 V517 I520 F543 G550 T552 R556 L558 F711 | L506-L554 HydrophobicContact CD2-CD1 4.48Å; V510-L554 HydrophobicContact CB-CD1 4.38Å; V510-L554 HydrophobicContact CG1-CD1 4.38Å; V510-L554 HydrophobicContact CG2-CB 4.22Å; V510-L554 HydrophobicContact CG2-CD1 3.9Å; A516-L554 HydrophobicContact CB-CD2 3.72Å; V517-L554 HydrophobicContact CG2-CD1 3.99Å; I520-L554 HydrophobicContact CD1-CD1 4.22Å; I520-L554 HydrophobicContact CD1-CD2 3.37Å; I520-L554 HydrophobicContact CD1-CG 3.7Å; F543-L554 HydrophobicContact CE2-CB 4.34Å; F543-L554 HydrophobicContact CE2-CD2 4.13Å; F543-L554 HydrophobicContact CE2-CG 4.37Å; F543-L554 HydrophobicContact CZ-CD2 4.04Å; F543-L554 HydrophobicContact CZ-CG 4.45Å; G550-L554 PolarHBondContact O-N 2.71Å; T552-L554 VanDerWaalsContact C-N 3.34Å; L554-R556 VanDerWaalsContact C-N 3.32Å; L554-R556 PolarHBondContact O-N 2.87Å; L554-L558 VanDerWaalsContact O-CB 3.31Å; L554-L558 WeakPolarHBondContact O-CB 3.49Å; L554-L558 PolarHBondContact O-N 3.26Å; L554-F711 HydrophobicContact CB-CZ 4.44Å; L554-F711 HydrophobicContact CD2-CE1 4.24Å; L554-F711 HydrophobicContact CD2-CZ 3.67Å |
| 555 | A | 92.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.5 | -40.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | K551 T552 L558 A559 M569 V613 L615 I655 | K551-A555 PolarHBondContact O-N 2.82Å; T552-A555 WeakPolarHBondContact O-CB 3.41Å; T552-A555 PolarHBondContact O-N 3.25Å; A555-L558 PolarHBondContact O-N 2.92Å; A555-A559 PolarHBondContact O-N 2.9Å; A555-A559 VanDerWaalsContact O-N 3.08Å; A555-M569 HydrophobicContact CB-SD 4.07Å; A555-V613 HydrophobicContact CB-CG1 4.23Å; A555-L615 HydrophobicContact CB-CD1 4.01Å; A555-L615 HydrophobicContact CB-CD2 4.44Å; A555-I655 HydrophobicContact CB-CD1 3.59Å |
| 556 | R | 91 | Very high | 85.1 | Confident | 72 Ų | 72 | 32.2 Ų | 32.2 | 27% | 0.272 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -69.4 | -45.5 | 177.7 | -167.8 | -175.3 | -70.3 | 143.8 | -7.4 | 112.2 | T552 E553 L554 L558 A559 E560 D566 M569 | T552-R556 PolarHBondContact O-N 3.35Å; T552-R556 VanDerWaalsContact O-N 3.08Å; E553-R556 PolarHBondContact O-N 3.34Å; E553-R556 IonicContact OE1-CZ 3.26Å; E553-R556 IonicContact OE1-NH1 3.79Å; E553-R556 PolarHBondContact OE1-NH1 2.88Å; E553-R556 IonicContact OE2-NH1 2.97Å; E553-R556 PolarHBondContact OE2-NH1 2.89Å; L554-R556 VanDerWaalsContact C-N 3.32Å; L554-R556 PolarHBondContact O-N 2.87Å; R556-L558 PolarHBondContact O-N 2.81Å; R556-A559 WeakPolarHBondContact O-CB 3.48Å; R556-A559 PolarHBondContact O-N 3.39Å; R556-E560 PolarHBondContact O-N 3.03Å; R556-D566 WeakPolarHBondContact CD-OD2 3.22Å; R556-D566 HydrophobicContact CG-CB 4.29Å; R556-D566 WeakPolarHBondContact CG-OD1 2.96Å; R556-M569 HydrophobicContact CB-SD 4.4Å |
| 557 | A | 89.9 | Confident | 85 | Confident | 3 Ų | 3 | 37.1 Ų | 37.1 | 3% | 0.025 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.9 | -35.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | L506 R509 V510 E553 S561 | L506-A557 HydrophobicContact CD2-CB 3.82Å; R509-A557 HydrophobicContact CB-CB 4.11Å; R509-A557 HydrophobicContact CG-CB 4.07Å; V510-A557 HydrophobicContact CG2-CB 3.87Å; E553-A557 WeakPolarHBondContact O-CB 3.3Å; E553-A557 PolarHBondContact O-N 3.27Å; A557-S561 WeakPolarHBondContact O-CB 3.19Å; A557-S561 PolarHBondContact O-N 3.25Å; A557-S561 PolarHBondContact O-OG 3Å |
| 558 | L | 89.8 | Confident | 84.9 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.4 | -39.3 | 173.5 | -172.1 | 63.7 | 0 | 0 | 0 | 112.2 | L506 I520 V524 L554 A555 R556 S561 M562 V613 I653 I655 | L506-L558 HydrophobicContact CD1-CD1 4.44Å; L506-L558 HydrophobicContact CD2-CB 4.5Å; I520-L558 HydrophobicContact CG2-CD1 3.71Å; I520-L558 HydrophobicContact CG2-CD2 3.65Å; I520-L558 HydrophobicContact CG2-CG 4.31Å; V524-L558 HydrophobicContact CG2-CD1 4.38Å; L554-L558 VanDerWaalsContact O-CB 3.31Å; L554-L558 WeakPolarHBondContact O-CB 3.49Å; L554-L558 PolarHBondContact O-N 3.26Å; A555-L558 PolarHBondContact O-N 2.92Å; R556-L558 PolarHBondContact O-N 2.81Å; L558-S561 WeakPolarHBondContact CA-OG 3.16Å; L558-S561 PolarHBondContact O-OG 3.18Å; L558-M562 HydrophobicContact CD1-CG 3.67Å; L558-M562 HydrophobicContact CG-CG 4.24Å; L558-M562 WeakPolarHBondContact O-CB 3.37Å; L558-M562 WeakPolarHBondContact O-CG 3.44Å; L558-M562 PolarHBondContact O-N 3.26Å; L558-V613 HydrophobicContact CB-CG2 4.45Å; L558-V613 HydrophobicContact CD2-CG2 4.39Å; L558-V613 HydrophobicContact CG-CG2 4.27Å; L558-I653 HydrophobicContact CD1-CD1 4.38Å; L558-I653 HydrophobicContact CD2-CB 4.45Å; L558-I653 HydrophobicContact CD2-CD1 3.72Å; L558-I653 HydrophobicContact CD2-CG2 3.79Å; L558-I653 HydrophobicContact CG-CD1 4.01Å; L558-I655 HydrophobicContact CD2-CD1 4.18Å |
| 559 | A | 87 | Confident | 85.3 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.2 | -46.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A555 R556 F563 D565 A568 M569 V613 | A555-A559 PolarHBondContact O-N 2.9Å; A555-A559 VanDerWaalsContact O-N 3.08Å; R556-A559 WeakPolarHBondContact O-CB 3.48Å; R556-A559 PolarHBondContact O-N 3.39Å; A559-F563 WeakPolarHBondContact O-CA 3.28Å; A559-F563 WeakPolarHBondContact O-CB 3.08Å; A559-F563 PolarHBondContact O-N 2.84Å; A559-D565 CarbonylContact C-O 3.5Å; A559-A568 HydrophobicContact CB-CB 4.42Å; A559-M569 HydrophobicContact CB-CB 4.09Å; A559-V613 HydrophobicContact CB-CB 4.25Å; A559-V613 HydrophobicContact CB-CG2 3.8Å |
| 560 | E | 84.7 | Confident | 85.6 | Confident | 94 Ų | 94 | 36.8 Ų | 36.8 | 44% | 0.439 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.6 | -51.4 | 176.3 | -172.5 | -177.5 | -150.2 | 0 | 0 | 112.1 | R509 R556 M562 G564 D566 | R509-E560 IonicContact CZ-OE2 3.9Å; R509-E560 IonicContact NE-OE2 3.61Å; R509-E560 VanDerWaalsContact NH1-CD 3.28Å; R509-E560 IonicContact NH1-OE1 2.72Å; R509-E560 IonicContact NH1-OE2 2.87Å; R509-E560 PolarHBondContact NH1-OE2 3.35Å; R556-E560 PolarHBondContact O-N 3.03Å; E560-M562 PolarHBondContact O-N 3.08Å; E560-G564 WeakPolarHBondContact O-CA 3.11Å; E560-G564 PolarHBondContact O-N 3.35Å; E560-D566 WeakPolarHBondContact CB-OD1 3.41Å |
| 561 | S | 83.9 | Confident | 85.9 | Confident | 41 Ų | 41 | 42 Ų | 42 | 29% | 0.287 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.7 | -35.7 | -176.1 | 54.8 | 0 | 0 | 0 | 0 | 113.1 | A557 L558 | A557-S561 WeakPolarHBondContact O-CB 3.19Å; A557-S561 PolarHBondContact O-N 3.25Å; A557-S561 PolarHBondContact O-OG 3Å; L558-S561 WeakPolarHBondContact CA-OG 3.16Å; L558-S561 PolarHBondContact O-OG 3.18Å |
| 562 | M | 79.4 | Confident | 86 | Confident | 25 Ų | 25 | 41.9 Ų | 41.9 | 12% | 0.123 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -90.5 | -36.2 | -175.7 | -70.9 | -64.1 | -60.2 | 0 | 0 | 114.4 | L499 L502 V524 L558 E560 I653 | L499-M562 HydrophobicContact CD2-CE 4.45Å; L499-M562 HydrophobicContact CD2-SD 4.2Å; L502-M562 HydrophobicContact CD1-SD 4.25Å; L502-M562 HydrophobicContact CD2-SD 4.15Å; V524-M562 HydrophobicContact CG1-CE 3.4Å; V524-M562 VanDerWaalsContact CG1-CE 3.4Å; V524-M562 HydrophobicContact CG1-SD 3.5Å; V524-M562 WeakPolarHBondContact CG1-SD 3.23Å; L558-M562 HydrophobicContact CD1-CG 3.67Å; L558-M562 HydrophobicContact CG-CG 4.24Å; L558-M562 WeakPolarHBondContact O-CB 3.37Å; L558-M562 WeakPolarHBondContact O-CG 3.44Å; L558-M562 PolarHBondContact O-N 3.26Å; E560-M562 PolarHBondContact O-N 3.08Å; M562-I653 HydrophobicContact CG-CD1 4.47Å |
| 563 | F | 77.8 | Confident | 86.2 | Confident | 37 Ų | 37 | 43.2 Ų | 43.2 | 16% | 0.162 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -117.5 | -2.3 | -172 | -54.5 | -60.6 | 0 | 0 | 0 | 112.8 | A559 D565 A568 Y611 V613 | A559-F563 WeakPolarHBondContact O-CA 3.28Å; A559-F563 WeakPolarHBondContact O-CB 3.08Å; A559-F563 PolarHBondContact O-N 2.84Å; F563-D565 PolarHBondContact O-N 2.79Å; F563-A568 HydrophobicContact CB-CB 3.62Å; F563-A568 HydrophobicContact CD2-CB 4.07Å; F563-A568 HydrophobicContact CG-CB 4.17Å; F563-Y611 HydrophobicContact CE1-CD1 4.17Å; F563-Y611 HydrophobicContact CE1-CG 4.47Å; F563-V613 HydrophobicContact CD2-CG2 4.2Å; F563-V613 HydrophobicContact CE2-CG2 3.79Å |
| 564 | G | 73.9 | Confident | 86.4 | Confident | 67 Ų | 67 | 39.6 Ų | 39.6 | 69% | 0.691 | 21% | 0.212 | S | C | * | . | S | Bend | trans | 78.5 | 1.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | E560 | E560-G564 WeakPolarHBondContact O-CA 3.11Å; E560-G564 PolarHBondContact O-N 3.35Å |
| 565 | D | 75.8 | Confident | 86.3 | Confident | 72 Ų | 72 | 41.6 Ų | 41.6 | 39% | 0.385 | 23% | 0.225 | S | C | . | . | trans | -146.1 | 134 | -172.5 | -172.6 | 3.2 | 0 | 0 | 0 | 111.4 | A559 F563 D567 A568 | A559-D565 CarbonylContact C-O 3.5Å; F563-D565 PolarHBondContact O-N 2.79Å; D565-D567 PolarHBondContact O-N 2.81Å; D565-D567 PolarHBondContact OD1-N 3.47Å; D565-A568 HydrophobicContact CB-CB 4.43Å; D565-A568 VanDerWaalsContact O-CB 3.3Å; D565-A568 WeakPolarHBondContact O-CB 3.42Å; D565-A568 PolarHBondContact O-N 2.87Å | ||
| 566 | D | 78.4 | Confident | 86.2 | Confident | 54 Ų | 54 | 46.3 Ų | 46.3 | 29% | 0.289 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -64.7 | -31.3 | 172.5 | -89.8 | -3.5 | 0 | 0 | 0 | 111.3 | R509 R556 E560 A568 M569 | R509-D566 IonicContact CZ-OD1 2.75Å; R509-D566 IonicContact CZ-OD2 2.98Å; R509-D566 IonicContact NH1-OD1 3.82Å; R509-D566 PolarHBondContact NH1-OD1 2.72Å; R509-D566 IonicContact NH1-OD2 3.76Å; R509-D566 PolarHBondContact NH1-OD2 2.68Å; R509-D566 IonicContact NH2-OD1 2.68Å; R509-D566 PolarHBondContact NH2-OD1 3.27Å; R509-D566 IonicContact NH2-OD2 3.76Å; R509-D566 PolarHBondContact NH2-OD2 3.05Å; R556-D566 WeakPolarHBondContact CD-OD2 3.22Å; R556-D566 HydrophobicContact CG-CB 4.29Å; R556-D566 WeakPolarHBondContact CG-OD1 2.96Å; E560-D566 WeakPolarHBondContact CB-OD1 3.41Å; D566-A568 PolarHBondContact O-N 2.96Å; D566-M569 PolarHBondContact O-N 2.82Å |
| 567 | D | 80 | Confident | 86.2 | Confident | 119 Ų | 119 | 42.9 Ų | 42.9 | 64% | 0.636 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -76.4 | -1.2 | 178.6 | -72.2 | -20.5 | 0 | 0 | 0 | 113 | D565 M569 K609 | D565-D567 PolarHBondContact O-N 2.81Å; D565-D567 PolarHBondContact OD1-N 3.47Å; D567-M569 PolarHBondContact O-N 2.9Å; D567-K609 PolarHBondContact O-NZ 3.01Å |
| 568 | A | 81 | Confident | 86.3 | Confident | 6 Ų | 6 | 47.8 Ų | 47.8 | 5% | 0.05 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -76.2 | 5.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A559 F563 D565 D566 S612 V613 | A559-A568 HydrophobicContact CB-CB 4.42Å; F563-A568 HydrophobicContact CB-CB 3.62Å; F563-A568 HydrophobicContact CD2-CB 4.07Å; F563-A568 HydrophobicContact CG-CB 4.17Å; D565-A568 HydrophobicContact CB-CB 4.43Å; D565-A568 VanDerWaalsContact O-CB 3.3Å; D565-A568 WeakPolarHBondContact O-CB 3.42Å; D565-A568 PolarHBondContact O-N 2.87Å; D566-A568 PolarHBondContact O-N 2.96Å; A568-S612 CarbonylContact O-C 3.49Å; A568-S612 WeakPolarHBondContact O-CA 3.46Å; A568-S612 WeakPolarHBondContact O-CB 3.36Å; A568-V613 PolarHBondContact O-N 3.27Å |
| 569 | M | 90.9 | Very high | 86.3 | Confident | 32 Ų | 32 | 54.4 Ų | 54.4 | 16% | 0.158 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 117.1 | 171.2 | -171.7 | -175.3 | 64.2 | 0 | 0 | 111.9 | A555 R556 A559 D566 D567 V613 L615 | A555-M569 HydrophobicContact CB-SD 4.07Å; R556-M569 HydrophobicContact CB-SD 4.4Å; A559-M569 HydrophobicContact CB-CB 4.09Å; D566-M569 PolarHBondContact O-N 2.82Å; D567-M569 PolarHBondContact O-N 2.9Å; M569-V613 CarbonylContact C-O 3.56Å; M569-V613 VanDerWaalsContact CA-O 3.28Å; M569-V613 WeakPolarHBondContact CA-O 3.42Å; M569-V613 HydrophobicContact CG-CB 4.41Å; M569-L615 HydrophobicContact CG-CB 4.37Å; M569-L615 HydrophobicContact SD-CB 4.33Å; M569-L615 HydrophobicContact SD-CD2 4.03Å |
| 570 | I | 92.2 | Very high | 86.3 | Confident | 11 Ų | 11 | 60.3 Ų | 60.3 | 6% | 0.056 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 102.2 | 171.2 | -60.3 | 170.6 | 0 | 0 | 0 | 108.5 | V572 K605 V606 S612 V613 I614 L615 | I570-V572 HydrophobicContact CG2-CG2 4.17Å; I570-K605 HydrophobicContact CD1-CB 3.86Å; I570-K605 HydrophobicContact CG1-CB 4.36Å; I570-K605 HydrophobicContact CG2-CB 4.17Å; I570-K605 HydrophobicContact CG2-CD 3.78Å; I570-V606 HydrophobicContact CD1-CG2 3.79Å; I570-S612 VanDerWaalsContact CD1-OG 3.29Å; I570-S612 WeakPolarHBondContact CD1-OG 3.29Å; I570-V613 PolarHBondContact N-O 3.27Å; I570-I614 HydrophobicContact CB-CG1 4.47Å; I570-I614 WeakPolarHBondContact O-CA 3.4Å; I570-L615 PolarHBondContact O-N 3.32Å |
| 571 | R | 93.6 | Very high | 86.3 | Confident | 128 Ų | 128 | 63.5 Ų | 63.5 | 48% | 0.483 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 131.6 | 173.9 | -170.9 | 174.6 | -177.2 | -168.2 | -1.7 | 111.4 | L615 D617 | R571-L615 HydrophobicContact CG-CD2 4.22Å; R571-D617 IonicContact CZ-OD2 3.93Å; R571-D617 IonicContact NE-OD2 3.3Å; R571-D617 PolarHBondContact NE-OD2 2.91Å; R571-D617 IonicContact NH2-OD2 3.03Å; R571-D617 PolarHBondContact NH2-OD2 3.4Å |
| 572 | V | 93.4 | Very high | 86.5 | Confident | 11 Ų | 11 | 62.1 Ų | 62.1 | 7% | 0.067 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 113.8 | 174.3 | -165.7 | 0 | 0 | 0 | 0 | 108.3 | I570 M574 F577 L586 L602 L615 F616 D617 | I570-V572 HydrophobicContact CG2-CG2 4.17Å; V572-M574 HydrophobicContact CB-CE 3.84Å; V572-M574 HydrophobicContact CG1-CE 3.26Å; V572-F577 HydrophobicContact CG1-CD2 4.42Å; V572-F577 HydrophobicContact CG1-CE2 3.62Å; V572-F577 HydrophobicContact CG1-CZ 4.18Å; V572-L586 HydrophobicContact CG1-CD2 3.81Å; V572-L602 HydrophobicContact CG2-CD1 4.2Å; V572-L615 PolarHBondContact N-O 2.96Å; V572-F616 HydrophobicContact CB-CD1 4Å; V572-F616 HydrophobicContact CB-CE1 4.2Å; V572-F616 HydrophobicContact CG1-CD1 4.46Å; V572-F616 HydrophobicContact CG2-CD1 4.46Å; V572-F616 HydrophobicContact CG2-CE1 4.24Å; V572-F616 WeakPolarHBondContact O-CA 3.44Å; V572-D617 PolarHBondContact O-N 2.89Å |
| 573 | D | 93 | Very high | 86.8 | Confident | 60 Ų | 60 | 61.5 Ų | 61.5 | 32% | 0.321 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 116.7 | 178.7 | -172.8 | -15.5 | 0 | 0 | 0 | 109.9 | S575 E576 F577 | D573-S575 PolarHBondContact O-N 3.33Å; D573-S575 VanDerWaalsContact OD1-CB 3.24Å; D573-S575 WeakPolarHBondContact OD1-CB 3.35Å; D573-S575 PolarHBondContact OD1-N 3.42Å; D573-E576 PolarHBondContact O-N 3.01Å; D573-F577 WeakPolarHBondContact O-CD2 3.21Å; D573-F577 WeakPolarHBondContact O-CE2 3.45Å |
| 574 | M | 93.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -74.5 | -14.4 | -178.4 | -63.1 | -68.3 | 92.5 | 0 | 0 | 113.5 | V572 E576 F577 F616 D617 E618 I619 A622 V626 | V572-M574 HydrophobicContact CB-CE 3.84Å; V572-M574 HydrophobicContact CG1-CE 3.26Å; M574-E576 PolarHBondContact O-N 2.89Å; M574-F577 HydrophobicContact CE-CD2 3.62Å; M574-F577 HydrophobicContact CE-CE2 3.98Å; M574-F577 HydrophobicContact CE-CG 4.43Å; M574-F577 PolarHBondContact O-N 3.43Å; M574-F616 HydrophobicContact CE-CD1 3.59Å; M574-F616 HydrophobicContact CE-CE1 4.25Å; M574-F616 HydrophobicContact CG-CB 4.18Å; M574-F616 HydrophobicContact SD-CB 4.36Å; M574-F616 HydrophobicContact SD-CD1 3.84Å; M574-D617 WeakPolarHBondContact CB-O 3.4Å; M574-D617 VanDerWaalsContact CG-O 3.28Å; M574-D617 WeakPolarHBondContact CG-O 3.39Å; M574-D617 PolarHBondContact N-O 3.15Å; M574-E618 WeakPolarHBondContact CB-O 3.47Å; M574-I619 HydrophobicContact CG-CD1 3.76Å; M574-I619 HydrophobicContact SD-CD1 3.84Å; M574-A622 HydrophobicContact CB-CB 4.07Å; M574-A622 HydrophobicContact CG-CB 4.44Å; M574-A622 HydrophobicContact SD-CB 4.19Å; M574-V626 HydrophobicContact SD-CG1 4.03Å |
| 575 | S | 91.1 | Very high | 87.7 | Confident | 41 Ų | 41 | 63.3 Ų | 63.3 | 29% | 0.287 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -64.9 | -23.2 | 170.2 | -69.6 | 0 | 0 | 0 | 0 | 112.3 | D573 F577 M578 E618 | D573-S575 PolarHBondContact O-N 3.33Å; D573-S575 VanDerWaalsContact OD1-CB 3.24Å; D573-S575 WeakPolarHBondContact OD1-CB 3.35Å; D573-S575 PolarHBondContact OD1-N 3.42Å; S575-F577 PolarHBondContact O-N 3.01Å; S575-M578 VanDerWaalsContact O-CG 3.31Å; S575-M578 WeakPolarHBondContact O-CG 3.2Å; S575-E618 PolarHBondContact OG-OE2 3.35Å; S575-E618 VanDerWaalsContact OG-OE2 3.13Å |
| 576 | E | 89.7 | Confident | 88.2 | Confident | 99 Ų | 99 | 59.9 Ų | 59.9 | 46% | 0.463 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -74.5 | -13.8 | 171.5 | -72.3 | -162.4 | -150.7 | 0 | 0 | 113.8 | D573 M574 A582 R585 | D573-E576 PolarHBondContact O-N 3.01Å; M574-E576 PolarHBondContact O-N 2.89Å; E576-A582 VanDerWaalsContact O-CB 3.31Å; E576-A582 WeakPolarHBondContact O-CB 3.5Å; E576-R585 PolarHBondContact O-NH2 2.87Å; E576-R585 IonicContact OE2-CZ 3.96Å; E576-R585 IonicContact OE2-NH1 3.65Å; E576-R585 PolarHBondContact OE2-NH1 2.51Å; E576-R585 IonicContact OE2-NH2 3.92Å |
| 577 | F | 92.3 | Very high | 88.5 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 0% | 0.004 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -115.7 | 26.2 | -173 | -57.7 | -87.3 | 0 | 0 | 0 | 112.6 | V572 D573 M574 S575 E579 A582 R585 L586 H623 V626 | V572-F577 HydrophobicContact CG1-CD2 4.42Å; V572-F577 HydrophobicContact CG1-CE2 3.62Å; V572-F577 HydrophobicContact CG1-CZ 4.18Å; D573-F577 WeakPolarHBondContact O-CD2 3.21Å; D573-F577 WeakPolarHBondContact O-CE2 3.45Å; M574-F577 HydrophobicContact CE-CD2 3.62Å; M574-F577 HydrophobicContact CE-CE2 3.98Å; M574-F577 HydrophobicContact CE-CG 4.43Å; M574-F577 PolarHBondContact O-N 3.43Å; S575-F577 PolarHBondContact O-N 3.01Å; F577-E579 PolarHBondContact O-N 3.09Å; F577-A582 HydrophobicContact CD1-CB 4.24Å; F577-A582 VanDerWaalsContact CD1-O 3.27Å; F577-A582 WeakPolarHBondContact CD1-O 3.31Å; F577-A582 WeakPolarHBondContact CE1-O 3.38Å; F577-R585 HydrophobicContact CE1-CB 4.08Å; F577-L586 HydrophobicContact CD1-CD1 4.07Å; F577-L586 HydrophobicContact CD1-CD2 4.19Å; F577-L586 HydrophobicContact CD1-CG 3.76Å; F577-L586 HydrophobicContact CE1-CD1 4.21Å; F577-L586 HydrophobicContact CE1-CD2 3.56Å; F577-L586 HydrophobicContact CE1-CG 3.41Å; F577-L586 VanDerWaalsContact CE1-CG 3.41Å; F577-L586 HydrophobicContact CE2-CD2 3.94Å; F577-L586 HydrophobicContact CG-CD1 4.46Å; F577-L586 HydrophobicContact CG-CG 4.48Å; F577-L586 HydrophobicContact CZ-CD2 3.41Å; F577-L586 VanDerWaalsContact CZ-CD2 3.41Å; F577-L586 HydrophobicContact CZ-CG 3.86Å; F577-H623 WeakPolarHBondContact O-CB 3.48Å; F577-H623 PolarHBondContact O-N 2.9Å; F577-V626 HydrophobicContact CB-CG2 4.07Å |
| 578 | M | 90.5 | Very high | 88.7 | Confident | 106 Ų | 106 | 52.9 Ų | 52.9 | 52% | 0.522 | 26% | 0.256 | S | S | . | . | trans | -63.3 | -31.8 | 173.5 | -66.3 | 178 | 70.6 | 0 | 0 | 112.4 | S575 K621 H623 | S575-M578 VanDerWaalsContact O-CG 3.31Å; S575-M578 WeakPolarHBondContact O-CG 3.2Å; M578-K621 HydrophobicContact CG-CB 4.34Å; M578-K621 VanDerWaalsContact CG-O 3.25Å; M578-K621 WeakPolarHBondContact CG-O 3.24Å; M578-H623 WeakPolarHBondContact O-CB 3.16Å | ||
| 579 | E | 90.4 | Very high | 88.8 | Confident | 138 Ų | 138 | 53.3 Ų | 53.3 | 65% | 0.645 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -95 | 141 | -177.6 | -66.7 | -62 | 157 | 0 | 0 | 112.1 | F577 H581 A582 | F577-E579 PolarHBondContact O-N 3.09Å; E579-H581 VanDerWaalsContact C-N 3.26Å; E579-H581 PolarHBondContact O-N 2.93Å; E579-A582 HydrophobicContact CB-CB 4.44Å; E579-A582 WeakPolarHBondContact O-CB 3.4Å; E579-A582 PolarHBondContact O-N 2.91Å |
| 580 | K | 86.6 | Confident | 88.1 | Confident | 125 Ų | 125 | 54.5 Ų | 54.5 | 54% | 0.543 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -38.7 | -179.3 | -178.1 | 169.8 | -179.2 | 168.7 | 0 | 113.5 | A582 V583 D625 | K580-A582 VanDerWaalsContact C-N 3.34Å; K580-V583 WeakPolarHBondContact O-CB 3.39Å; K580-V583 WeakPolarHBondContact O-CG2 3.18Å; K580-V583 PolarHBondContact O-N 2.85Å; K580-D625 WeakPolarHBondContact CE-OD2 3.48Å; K580-D625 WeakPolarHBondContact CG-OD2 3.13Å; K580-D625 IonicContact NZ-OD2 2.67Å |
| 581 | H | 85.8 | Confident | 87 | Confident | 160 Ų | 160 | 58.2 Ų | 58.2 | 74% | 0.741 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -30 | -179.5 | -62.1 | -64.7 | 0 | 0 | 0 | 112.8 | E579 V583 S584 | E579-H581 VanDerWaalsContact C-N 3.26Å; E579-H581 PolarHBondContact O-N 2.93Å; H581-V583 PolarHBondContact O-N 2.89Å; H581-S584 PolarHBondContact O-N 3.36Å; H581-S584 PolarHBondContact O-OG 3.13Å |
| 582 | A | 86.4 | Confident | 85.9 | Confident | 13 Ų | 13 | 56 Ų | 56 | 11% | 0.107 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -27.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E576 F577 E579 K580 S584 R585 | E576-A582 VanDerWaalsContact O-CB 3.31Å; E576-A582 WeakPolarHBondContact O-CB 3.5Å; F577-A582 HydrophobicContact CD1-CB 4.24Å; F577-A582 VanDerWaalsContact CD1-O 3.27Å; F577-A582 WeakPolarHBondContact CD1-O 3.31Å; F577-A582 WeakPolarHBondContact CE1-O 3.38Å; E579-A582 HydrophobicContact CB-CB 4.44Å; E579-A582 WeakPolarHBondContact O-CB 3.4Å; E579-A582 PolarHBondContact O-N 2.91Å; K580-A582 VanDerWaalsContact C-N 3.34Å; A582-S584 PolarHBondContact O-N 2.82Å; A582-R585 VanDerWaalsContact O-CB 3.25Å; A582-R585 WeakPolarHBondContact O-CB 3.25Å; A582-R585 PolarHBondContact O-N 2.9Å |
| 583 | V | 86.2 | Confident | 85 | Confident | 11 Ų | 11 | 63.3 Ų | 63.3 | 7% | 0.067 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -35.2 | 176.4 | -175.8 | 0 | 0 | 0 | 0 | 112 | K580 H581 R585 L586 H623 D625 V626 I629 | K580-V583 WeakPolarHBondContact O-CB 3.39Å; K580-V583 WeakPolarHBondContact O-CG2 3.18Å; K580-V583 PolarHBondContact O-N 2.85Å; H581-V583 PolarHBondContact O-N 2.89Å; V583-R585 PolarHBondContact O-N 2.86Å; V583-L586 WeakPolarHBondContact O-CB 3.48Å; V583-L586 PolarHBondContact O-N 3.31Å; V583-L586 VanDerWaalsContact O-N 3.07Å; V583-H623 HydrophobicContact CG2-CB 4.14Å; V583-D625 HydrophobicContact CG1-CB 4.39Å; V583-D625 HydrophobicContact CG2-CB 4.4Å; V583-V626 HydrophobicContact CB-CG2 4.41Å; V583-V626 HydrophobicContact CG1-CG2 4.09Å; V583-V626 HydrophobicContact CG2-CG2 3.67Å; V583-I629 HydrophobicContact CG1-CD1 3.37Å |
| 584 | S | 85.5 | Confident | 84.1 | Confident | 48 Ų | 48 | 67.7 Ų | 67.7 | 34% | 0.336 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.2 | -27.3 | 175.8 | 68 | 0 | 0 | 0 | 0 | 112.9 | H581 A582 L586 V587 G588 | H581-S584 PolarHBondContact O-N 3.36Å; H581-S584 PolarHBondContact O-OG 3.13Å; A582-S584 PolarHBondContact O-N 2.82Å; S584-L586 PolarHBondContact O-N 2.8Å; S584-V587 PolarHBondContact O-N 3.05Å; S584-G588 CarbonylContact O-C 3.53Å; S584-G588 WeakPolarHBondContact O-CA 3.44Å; S584-G588 PolarHBondContact O-N 3Å |
| 585 | R | 85.4 | Confident | 82.7 | Confident | 94 Ų | 94 | 69.1 Ų | 69.1 | 36% | 0.355 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65 | -24.3 | 176.4 | -61.9 | -172.6 | -75.7 | 149.4 | -6.1 | 113 | E576 F577 A582 V583 Q601 | E576-R585 PolarHBondContact O-NH2 2.87Å; E576-R585 IonicContact OE2-CZ 3.96Å; E576-R585 IonicContact OE2-NH1 3.65Å; E576-R585 PolarHBondContact OE2-NH1 2.51Å; E576-R585 IonicContact OE2-NH2 3.92Å; F577-R585 HydrophobicContact CE1-CB 4.08Å; A582-R585 VanDerWaalsContact O-CB 3.25Å; A582-R585 WeakPolarHBondContact O-CB 3.25Å; A582-R585 PolarHBondContact O-N 2.9Å; V583-R585 PolarHBondContact O-N 2.86Å; R585-Q601 PolarHBondContact O-N 2.62Å |
| 586 | L | 86.2 | Confident | 81.4 | Confident | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.005 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -69 | -42.7 | 177.4 | -69.3 | 173.7 | 0 | 0 | 0 | 112.1 | V572 F577 V583 S584 G600 L602 T603 V626 | V572-L586 HydrophobicContact CG1-CD2 3.81Å; F577-L586 HydrophobicContact CD1-CD1 4.07Å; F577-L586 HydrophobicContact CD1-CD2 4.19Å; F577-L586 HydrophobicContact CD1-CG 3.76Å; F577-L586 HydrophobicContact CE1-CD1 4.21Å; F577-L586 HydrophobicContact CE1-CD2 3.56Å; F577-L586 HydrophobicContact CE1-CG 3.41Å; F577-L586 VanDerWaalsContact CE1-CG 3.41Å; F577-L586 HydrophobicContact CE2-CD2 3.94Å; F577-L586 HydrophobicContact CG-CD1 4.46Å; F577-L586 HydrophobicContact CG-CG 4.48Å; F577-L586 HydrophobicContact CZ-CD2 3.41Å; F577-L586 VanDerWaalsContact CZ-CD2 3.41Å; F577-L586 HydrophobicContact CZ-CG 3.86Å; V583-L586 WeakPolarHBondContact O-CB 3.48Å; V583-L586 PolarHBondContact O-N 3.31Å; V583-L586 VanDerWaalsContact O-N 3.07Å; S584-L586 PolarHBondContact O-N 2.8Å; L586-G600 CarbonylContact O-C 3.57Å; L586-G600 WeakPolarHBondContact O-CA 3.19Å; L586-L602 HydrophobicContact CB-CB 4.48Å; L586-L602 HydrophobicContact CD2-CB 4.18Å; L586-L602 WeakPolarHBondContact O-CB 3.34Å; L586-L602 PolarHBondContact O-N 2.6Å; L586-T603 PolarHBondContact O-N 3.47Å; L586-V626 HydrophobicContact CD1-CG1 3.98Å; L586-V626 HydrophobicContact CD1-CG2 4.29Å |
| 587 | V | 85.8 | Confident | 80 | Confident | 22 Ų | 22 | 70.9 Ų | 70.9 | 13% | 0.133 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -97.4 | -31.5 | -172.4 | -172.8 | 0 | 0 | 0 | 0 | 111.8 | S584 G600 T603 I629 L639 T640 D641 T642 | S584-V587 PolarHBondContact O-N 3.05Å; V587-G600 WeakPolarHBondContact O-CA 3.45Å; V587-G600 PolarHBondContact O-N 2.93Å; V587-T603 PolarHBondContact O-OG1 3.4Å; V587-I629 HydrophobicContact CG2-CD1 3.75Å; V587-I629 HydrophobicContact CG2-CG1 4.41Å; V587-I629 HydrophobicContact CG2-CG2 4.16Å; V587-L639 HydrophobicContact CG2-CD2 4.29Å; V587-T640 WeakPolarHBondContact CG1-O 3.35Å; V587-D641 WeakPolarHBondContact O-CB 3.32Å; V587-T642 HydrophobicContact CG1-CG2 4.35Å |
| 588 | G | 84.3 | Confident | 78.6 | Confident | 4 Ų | 4 | 76.7 Ų | 76.7 | 4% | 0.041 | 42% | 0.421 | C | S | . | . | B | Isolated β-bridge | trans | 127.5 | 152.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | S584 T642 | S584-G588 CarbonylContact O-C 3.53Å; S584-G588 WeakPolarHBondContact O-CA 3.44Å; S584-G588 PolarHBondContact O-N 3Å; G588-T642 WeakPolarHBondContact O-CG2 3.49Å |
| 589 | A | 81.8 | Confident | 77.6 | Confident | 15 Ų | 15 | 72.4 Ų | 72.4 | 12% | 0.124 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 142.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | H596 T642 | A589-H596 PolarHBondContact O-ND1 2.87Å; A589-T642 WeakPolarHBondContact O-CB 3.5Å; A589-T642 PolarHBondContact O-OG1 3.39Å |
| 590 | P | 76.3 | Confident | 77.2 | Confident | 56 Ų | 56 | 65.9 Ų | 65.9 | 36% | 0.364 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 155.1 | 173.3 | -22.3 | 32.6 | 0 | 0 | 0 | 112 | G592 Y593 | P590-G592 PolarHBondContact O-N 3.37Å; P590-Y593 HydrophobicContact CB-CD2 4.04Å; P590-Y593 HydrophobicContact CB-CE2 4.36Å; P590-Y593 HydrophobicContact CG-CD2 4.37Å; P590-Y593 PolarHBondContact O-N 3.06Å |
| 591 | P | 70.2 | Confident | 77.2 | Confident | 90 Ų | 90 | 63.8 Ų | 63.8 | 58% | 0.584 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | 127.6 | 173.7 | -23.9 | 30.6 | 0 | 0 | 0 | 112.2 | H596 | P591-H596 WeakPolarHBondContact CA-ND1 3.49Š|
| 592 | G | 70.1 | Confident | 77.4 | Confident | 80 Ų | 80 | 56.2 Ų | 56.2 | 83% | 0.825 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.6 | -2.1 | 180 | 0 | 0 | 0 | 0 | 0 | 116.1 | P590 | P590-G592 PolarHBondContact O-N 3.37Š|
| 593 | Y | 74.4 | Confident | 77.5 | Confident | 166 Ų | 166 | 55.6 Ų | 55.6 | 65% | 0.651 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -102.4 | 154.8 | 173.3 | -71.3 | -97.9 | 0 | 0 | 0 | 111.7 | P590 G595 H596 | P590-Y593 HydrophobicContact CB-CD2 4.04Å; P590-Y593 HydrophobicContact CB-CE2 4.36Å; P590-Y593 HydrophobicContact CG-CD2 4.37Å; P590-Y593 PolarHBondContact O-N 3.06Å; Y593-G595 PolarHBondContact O-N 3.36Å; Y593-H596 WeakPolarHBondContact O-CB 3.4Å; Y593-H596 PolarHBondContact O-N 2.58Å; Y593-H596 VanDerWaalsContact O-N 3.17Å |
| 594 | V | 72.9 | Confident | 77.4 | Confident | 151 Ų | 151 | 56.4 Ų | 56.4 | 92% | 0.915 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 131.3 | 174.3 | -178.7 | 0 | 0 | 0 | 0 | 109.2 | ||
| 595 | G | 64.6 | Low | 77.5 | Confident | 31 Ų | 31 | 58.8 Ų | 58.8 | 32% | 0.32 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | 13.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y593 D597 D598 | Y593-G595 PolarHBondContact O-N 3.36Å; G595-D597 PolarHBondContact O-N 2.88Å; G595-D598 PolarHBondContact O-N 2.76Å |
| 596 | H | 63.2 | Low | 77.6 | Confident | 44 Ų | 44 | 54.3 Ų | 54.3 | 20% | 0.204 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -63.1 | -29.9 | 170.7 | 180 | 57.3 | 0 | 0 | 0 | 112.5 | A589 P591 Y593 K643 | A589-H596 PolarHBondContact O-ND1 2.87Å; P591-H596 WeakPolarHBondContact CA-ND1 3.49Å; Y593-H596 WeakPolarHBondContact O-CB 3.4Å; Y593-H596 PolarHBondContact O-N 2.58Å; Y593-H596 VanDerWaalsContact O-N 3.17Å; H596-K643 WeakPolarHBondContact O-CE 3.41Å |
| 597 | D | 61 | Low | 77.4 | Confident | 132 Ų | 132 | 58.4 Ų | 58.4 | 71% | 0.706 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -75.9 | -27.9 | 179.7 | -67.4 | -37.1 | 0 | 0 | 0 | 112.7 | G595 G599 K643 | G595-D597 PolarHBondContact O-N 2.88Å; D597-G599 PolarHBondContact O-N 3.43Å; D597-K643 PolarHBondContact O-NZ 3.02Å |
| 598 | D | 63.1 | Low | 77.2 | Confident | 123 Ų | 123 | 66.6 Ų | 66.6 | 66% | 0.658 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -83.1 | 114.3 | 172.9 | -63 | -34.1 | 0 | 0 | 0 | 108.2 | G595 | G595-D598 PolarHBondContact O-N 2.76Š|
| 599 | G | 69.8 | Low | 77 | Confident | 16 Ų | 16 | 70.6 Ų | 70.6 | 17% | 0.165 | 38% | 0.377 | C | S | . | . | B | Isolated β-bridge | trans | -58.2 | 166 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D597 E604 | D597-G599 PolarHBondContact O-N 3.43Å; G599-E604 VanDerWaalsContact C-CG 3.47Å; G599-E604 VanDerWaalsContact CA-CG 3.44Å |
| 600 | G | 82.5 | Confident | 76.8 | Confident | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.01 | 38% | 0.379 | C | S | . | . | trans | -57.2 | 146.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L586 V587 L602 T603 E604 | L586-G600 CarbonylContact O-C 3.57Å; L586-G600 WeakPolarHBondContact O-CA 3.19Å; V587-G600 WeakPolarHBondContact O-CA 3.45Å; V587-G600 PolarHBondContact O-N 2.93Å; G600-L602 PolarHBondContact O-N 2.87Å; G600-T603 WeakPolarHBondContact CA-OG1 3.31Å; G600-T603 PolarHBondContact N-OG1 3.48Å; G600-T603 VanDerWaalsContact N-OG1 3.09Å; G600-T603 PolarHBondContact O-N 3.37Å; G600-T603 PolarHBondContact O-OG1 2.86Å; G600-E604 VanDerWaalsContact O-CB 3.28Å; G600-E604 WeakPolarHBondContact O-CB 3.44Å; G600-E604 PolarHBondContact O-N 2.73Å | ||
| 601 | Q | 85.4 | Confident | 77.1 | Confident | 82 Ų | 82 | 69.6 Ų | 69.6 | 38% | 0.383 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.1 | -31.2 | -179.7 | -69.4 | -173.1 | -9.6 | 0 | 0 | 112.8 | R585 K605 | R585-Q601 PolarHBondContact O-N 2.62Å; Q601-K605 WeakPolarHBondContact O-CB 3.34Å; Q601-K605 VanDerWaalsContact O-CD 3.25Å; Q601-K605 WeakPolarHBondContact O-CD 3.37Å; Q601-K605 WeakPolarHBondContact O-CG 3.4Å |
| 602 | L | 90 | Very high | 77.9 | Confident | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -86.4 | -50.3 | 175.2 | -179.4 | 65.9 | 0 | 0 | 0 | 110.5 | V572 L586 G600 E604 K605 V606 I614 F616 F649 | V572-L602 HydrophobicContact CG2-CD1 4.2Å; L586-L602 HydrophobicContact CB-CB 4.48Å; L586-L602 HydrophobicContact CD2-CB 4.18Å; L586-L602 WeakPolarHBondContact O-CB 3.34Å; L586-L602 PolarHBondContact O-N 2.6Å; G600-L602 PolarHBondContact O-N 2.87Å; L602-E604 PolarHBondContact O-N 2.87Å; L602-K605 PolarHBondContact O-N 2.98Å; L602-V606 HydrophobicContact CD1-CG2 3.93Å; L602-V606 HydrophobicContact CG-CG2 4.39Å; L602-V606 WeakPolarHBondContact O-CB 3.46Å; L602-V606 VanDerWaalsContact O-CG2 3.32Å; L602-V606 WeakPolarHBondContact O-CG2 3.47Å; L602-V606 PolarHBondContact O-N 2.85Å; L602-I614 HydrophobicContact CD1-CD1 4.37Å; L602-I614 HydrophobicContact CD1-CG2 4.01Å; L602-F616 HydrophobicContact CD1-CE1 4.48Å; L602-F616 HydrophobicContact CD1-CZ 4.24Å; L602-F616 HydrophobicContact CD2-CE1 4.22Å; L602-F616 HydrophobicContact CD2-CZ 3.93Å; L602-F649 HydrophobicContact CD1-CE1 4.25Å; L602-F649 HydrophobicContact CD2-CE1 4.09Å; L602-F649 HydrophobicContact CD2-CZ 4.01Å; L602-F649 HydrophobicContact CG-CE1 4.11Å; L602-F649 HydrophobicContact CG-CZ 3.95Å |
| 603 | T | 88.5 | Confident | 79 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.4 | -42 | -175.5 | 48.5 | 0 | 0 | 0 | 0 | 112.5 | L586 V587 G600 R607 L639 D641 V647 | L586-T603 PolarHBondContact O-N 3.47Å; V587-T603 PolarHBondContact O-OG1 3.4Å; G600-T603 WeakPolarHBondContact CA-OG1 3.31Å; G600-T603 PolarHBondContact N-OG1 3.48Å; G600-T603 VanDerWaalsContact N-OG1 3.09Å; G600-T603 PolarHBondContact O-N 3.37Å; G600-T603 PolarHBondContact O-OG1 2.86Å; T603-R607 VanDerWaalsContact O-CB 3.23Å; T603-R607 WeakPolarHBondContact O-CB 3.3Å; T603-R607 PolarHBondContact O-N 3.32Å; T603-L639 HydrophobicContact CG2-CD2 3.72Å; T603-L639 HydrophobicContact CG2-CG 4.16Å; T603-D641 HydrophobicContact CG2-CB 4.21Å; T603-V647 HydrophobicContact CG2-CG2 4.15Å |
| 604 | E | 84.5 | Confident | 80 | Confident | 27 Ų | 27 | 53.6 Ų | 53.6 | 13% | 0.126 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.9 | -43.7 | 175.9 | -75.5 | -70.6 | 145.8 | 0 | 0 | 112.8 | G599 G600 L602 R607 R608 | G599-E604 VanDerWaalsContact C-CG 3.47Å; G599-E604 VanDerWaalsContact CA-CG 3.44Å; G600-E604 VanDerWaalsContact O-CB 3.28Å; G600-E604 WeakPolarHBondContact O-CB 3.44Å; G600-E604 PolarHBondContact O-N 2.73Å; L602-E604 PolarHBondContact O-N 2.87Å; E604-R607 VanDerWaalsContact CD-NH1 3.32Å; E604-R607 VanDerWaalsContact CD-NH2 3.27Å; E604-R607 PolarHBondContact O-N 3.21Å; E604-R607 IonicContact OE1-CZ 2.81Å; E604-R607 VanDerWaalsContact OE1-CZ 3.24Å; E604-R607 IonicContact OE1-NH1 3.57Å; E604-R607 PolarHBondContact OE1-NH1 3.07Å; E604-R607 IonicContact OE1-NH2 3.82Å; E604-R607 PolarHBondContact OE1-NH2 3.41Å; E604-R607 IonicContact OE2-CZ 2.68Å; E604-R607 IonicContact OE2-NH1 3.05Å; E604-R607 IonicContact OE2-NH2 3.86Å; E604-R607 PolarHBondContact OE2-NH2 3.3Å; E604-R608 VanDerWaalsContact O-CG 3.31Å; E604-R608 WeakPolarHBondContact O-CG 3.47Å; E604-R608 PolarHBondContact O-N 3.04Å; E604-R608 IonicContact OE2-NE 3.65Å |
| 605 | K | 87.3 | Confident | 81.1 | Confident | 99 Ų | 99 | 46.4 Ų | 46.4 | 43% | 0.43 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.8 | -42.8 | -179.4 | -72.9 | -177.1 | -173.3 | 179.4 | 0 | 111.1 | I570 Q601 L602 R608 K609 | I570-K605 HydrophobicContact CD1-CB 3.86Å; I570-K605 HydrophobicContact CG1-CB 4.36Å; I570-K605 HydrophobicContact CG2-CB 4.17Å; I570-K605 HydrophobicContact CG2-CD 3.78Å; Q601-K605 WeakPolarHBondContact O-CB 3.34Å; Q601-K605 VanDerWaalsContact O-CD 3.25Å; Q601-K605 WeakPolarHBondContact O-CD 3.37Å; Q601-K605 WeakPolarHBondContact O-CG 3.4Å; L602-K605 PolarHBondContact O-N 2.98Å; K605-R608 PolarHBondContact O-N 3.02Å; K605-K609 PolarHBondContact O-N 3.42Å |
| 606 | V | 87.9 | Confident | 82.5 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -71.1 | -37.2 | 177.4 | 178 | 0 | 0 | 0 | 0 | 111 | I570 L602 R608 K609 P610 I614 V647 D648 F649 T652 | I570-V606 HydrophobicContact CD1-CG2 3.79Å; L602-V606 HydrophobicContact CD1-CG2 3.93Å; L602-V606 HydrophobicContact CG-CG2 4.39Å; L602-V606 WeakPolarHBondContact O-CB 3.46Å; L602-V606 VanDerWaalsContact O-CG2 3.32Å; L602-V606 WeakPolarHBondContact O-CG2 3.47Å; L602-V606 PolarHBondContact O-N 2.85Å; V606-R608 VanDerWaalsContact C-N 3.27Å; V606-R608 PolarHBondContact O-N 2.96Å; V606-K609 CarbonylContact O-C 3.56Å; V606-K609 PolarHBondContact O-N 2.88Å; V606-P610 WeakPolarHBondContact O-CA 3.28Å; V606-P610 WeakPolarHBondContact O-CD 3.29Å; V606-I614 HydrophobicContact CG2-CD1 3.61Å; V606-I614 HydrophobicContact CG2-CG1 4.37Å; V606-V647 HydrophobicContact CB-CG1 3.85Å; V606-V647 HydrophobicContact CG1-CG1 3.71Å; V606-D648 WeakPolarHBondContact CG1-O 2.94Å; V606-F649 HydrophobicContact CB-CE1 4.25Å; V606-F649 HydrophobicContact CB-CZ 4.11Å; V606-F649 HydrophobicContact CG1-CD1 4.12Å; V606-F649 HydrophobicContact CG1-CD2 4.28Å; V606-F649 HydrophobicContact CG1-CE1 4.06Å; V606-F649 HydrophobicContact CG1-CE2 4.17Å; V606-F649 HydrophobicContact CG1-CG 4.24Å; V606-F649 HydrophobicContact CG1-CZ 4.07Å; V606-F649 HydrophobicContact CG2-CD1 4.35Å; V606-F649 HydrophobicContact CG2-CE1 3.69Å; V606-F649 HydrophobicContact CG2-CZ 3.92Å; V606-T652 HydrophobicContact CG1-CG2 4.07Å |
| 607 | R | 82.2 | Confident | 84 | Confident | 87 Ų | 87 | 43.6 Ų | 43.6 | 33% | 0.328 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.1 | -37.6 | 173.3 | -166.2 | 179.3 | 78.7 | -125.8 | -6.3 | 112.1 | T603 E604 V647 | T603-R607 VanDerWaalsContact O-CB 3.23Å; T603-R607 WeakPolarHBondContact O-CB 3.3Å; T603-R607 PolarHBondContact O-N 3.32Å; E604-R607 VanDerWaalsContact CD-NH1 3.32Å; E604-R607 VanDerWaalsContact CD-NH2 3.27Å; E604-R607 PolarHBondContact O-N 3.21Å; E604-R607 IonicContact OE1-CZ 2.81Å; E604-R607 VanDerWaalsContact OE1-CZ 3.24Å; E604-R607 IonicContact OE1-NH1 3.57Å; E604-R607 PolarHBondContact OE1-NH1 3.07Å; E604-R607 IonicContact OE1-NH2 3.82Å; E604-R607 PolarHBondContact OE1-NH2 3.41Å; E604-R607 IonicContact OE2-CZ 2.68Å; E604-R607 IonicContact OE2-NH1 3.05Å; E604-R607 IonicContact OE2-NH2 3.86Å; E604-R607 PolarHBondContact OE2-NH2 3.3Å; R607-V647 HydrophobicContact CB-CG1 4.32Å; R607-V647 HydrophobicContact CB-CG2 4.34Å |
| 608 | R | 80.3 | Confident | 85.4 | Confident | 193 Ų | 193 | 39.8 Ų | 39.8 | 73% | 0.728 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -76.1 | -34.8 | 176.5 | -69 | 177.7 | -170.6 | -162.7 | 1.5 | 113.1 | E604 K605 V606 | E604-R608 VanDerWaalsContact O-CG 3.31Å; E604-R608 WeakPolarHBondContact O-CG 3.47Å; E604-R608 PolarHBondContact O-N 3.04Å; E604-R608 IonicContact OE2-NE 3.65Å; K605-R608 PolarHBondContact O-N 3.02Å; V606-R608 VanDerWaalsContact C-N 3.27Å; V606-R608 PolarHBondContact O-N 2.96Å |
| 609 | K | 80.3 | Confident | 86.8 | Confident | 89 Ų | 89 | 34 Ų | 34 | 39% | 0.387 | 15% | 0.15 | S | C | . | . | trans | -130.1 | 78.5 | 177.8 | -65.1 | -167.4 | -179.7 | -167.3 | 0 | 110.6 | D567 K605 V606 Y611 S612 | D567-K609 PolarHBondContact O-NZ 3.01Å; K605-K609 PolarHBondContact O-N 3.42Å; V606-K609 CarbonylContact O-C 3.56Å; V606-K609 PolarHBondContact O-N 2.88Å; K609-Y611 PolarHBondContact O-N 2.75Å; K609-S612 PolarHBondContact O-OG 3.27Å | ||
| 610 | P | 78.8 | Confident | 87.7 | Confident | 26 Ų | 26 | 35.6 Ų | 35.6 | 17% | 0.169 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -65.8 | -19 | -178.3 | -19.3 | 31.2 | 0 | 0 | 0 | 113.4 | V606 N651 T652 | V606-P610 WeakPolarHBondContact O-CA 3.28Å; V606-P610 WeakPolarHBondContact O-CD 3.29Å; P610-N651 CarbonylContact O-C 3.45Å; P610-T652 WeakPolarHBondContact O-CG2 3.01Å |
| 611 | Y | 81.2 | Confident | 88.1 | Confident | 23 Ų | 23 | 40.3 Ų | 40.3 | 9% | 0.09 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -106.5 | 88.9 | 179 | -66.8 | -98.4 | 0 | 0 | 0 | 108.1 | Y381 I486 F563 K609 N651 | Y381-Y611 HydrophobicContact CD1-CE1 4.46Å; Y381-Y611 AromaticContact CD1-CZ 3.85Å; Y381-Y611 WeakPolarHBondContact CD1-OH 3.41Å; Y381-Y611 HydrophobicContact CE1-CE1 4.42Å; Y381-Y611 WeakPolarHBondContact CE1-OH 3.34Å; I486-Y611 HydrophobicContact CD1-CD1 4.15Å; I486-Y611 HydrophobicContact CD1-CD2 3.32Å; I486-Y611 HydrophobicContact CD1-CE1 3.79Å; I486-Y611 HydrophobicContact CD1-CE2 2.96Å; I486-Y611 HydrophobicContact CD1-CG 3.95Å; I486-Y611 HydrophobicContact CG1-CD1 4.13Å; I486-Y611 HydrophobicContact CG1-CD2 3.49Å; I486-Y611 VanDerWaalsContact CG1-CD2 3.49Å; I486-Y611 HydrophobicContact CG1-CE1 4.24Å; I486-Y611 HydrophobicContact CG1-CE2 3.72Å; I486-Y611 HydrophobicContact CG1-CG 3.76Å; I486-Y611 HydrophobicContact CG2-CD1 4.29Å; I486-Y611 HydrophobicContact CG2-CE1 4.28Å; F563-Y611 HydrophobicContact CE1-CD1 4.17Å; F563-Y611 HydrophobicContact CE1-CG 4.47Å; K609-Y611 PolarHBondContact O-N 2.75Å; Y611-N651 HydrophobicContact CD1-CB 3.72Å; Y611-N651 HydrophobicContact CD2-CB 4.27Å; Y611-N651 HydrophobicContact CE1-CB 3.38Å; Y611-N651 VanDerWaalsContact CE1-CG 3.44Å; Y611-N651 HydrophobicContact CE2-CB 3.88Å; Y611-N651 HydrophobicContact CG-CB 4.15Å; Y611-N651 VanDerWaalsContact CZ-CB 3.43Å; Y611-N651 PolarHBondContact OH-ND2 3.08Å; Y611-N651 PolarHBondContact OH-OD1 3.48Å |
| 612 | S | 88.3 | Confident | 88.4 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -150.9 | 155.1 | -174.5 | 50.2 | 0 | 0 | 0 | 0 | 111.8 | A568 I570 K609 T652 I653 | A568-S612 CarbonylContact O-C 3.49Å; A568-S612 WeakPolarHBondContact O-CA 3.46Å; A568-S612 WeakPolarHBondContact O-CB 3.36Å; I570-S612 VanDerWaalsContact CD1-OG 3.29Å; I570-S612 WeakPolarHBondContact CD1-OG 3.29Å; K609-S612 PolarHBondContact O-OG 3.27Å; S612-T652 WeakPolarHBondContact O-CA 3.42Å; S612-I653 PolarHBondContact O-N 2.85Å | ||
| 613 | V | 92.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 115.5 | 165.6 | -178 | 0 | 0 | 0 | 0 | 107.3 | A555 L558 A559 F563 A568 M569 I570 I653 I655 | A555-V613 HydrophobicContact CB-CG1 4.23Å; L558-V613 HydrophobicContact CB-CG2 4.45Å; L558-V613 HydrophobicContact CD2-CG2 4.39Å; L558-V613 HydrophobicContact CG-CG2 4.27Å; A559-V613 HydrophobicContact CB-CB 4.25Å; A559-V613 HydrophobicContact CB-CG2 3.8Å; F563-V613 HydrophobicContact CD2-CG2 4.2Å; F563-V613 HydrophobicContact CE2-CG2 3.79Å; A568-V613 PolarHBondContact O-N 3.27Å; M569-V613 CarbonylContact C-O 3.56Å; M569-V613 VanDerWaalsContact CA-O 3.28Å; M569-V613 WeakPolarHBondContact CA-O 3.42Å; M569-V613 HydrophobicContact CG-CB 4.41Å; I570-V613 PolarHBondContact N-O 3.27Å; V613-I653 CarbonylContact C-O 3.53Å; V613-I653 WeakPolarHBondContact CA-O 3.18Å; V613-I653 HydrophobicContact CG2-CB 4.39Å; V613-I655 HydrophobicContact CG1-CD1 3.57Å; V613-I655 HydrophobicContact CG1-CG1 4.17Å |
| 614 | I | 95 | Very high | 88.6 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 114.6 | 177.4 | -55.8 | 175.5 | 0 | 0 | 0 | 107.9 | I570 L602 V606 F616 F649 T652 I653 I655 | I570-I614 HydrophobicContact CB-CG1 4.47Å; I570-I614 WeakPolarHBondContact O-CA 3.4Å; L602-I614 HydrophobicContact CD1-CD1 4.37Å; L602-I614 HydrophobicContact CD1-CG2 4.01Å; V606-I614 HydrophobicContact CG2-CD1 3.61Å; V606-I614 HydrophobicContact CG2-CG1 4.37Å; I614-F616 HydrophobicContact CB-CE2 4.44Å; I614-F616 HydrophobicContact CG2-CD2 4.06Å; I614-F616 HydrophobicContact CG2-CE1 4.19Å; I614-F616 HydrophobicContact CG2-CE2 3.48Å; I614-F616 VanDerWaalsContact CG2-CE2 3.48Å; I614-F616 HydrophobicContact CG2-CZ 3.55Å; I614-F649 HydrophobicContact CD1-CD1 3.5Å; I614-F649 HydrophobicContact CD1-CE1 3.5Å; I614-F649 VanDerWaalsContact CD1-CE1 3.5Å; I614-T652 HydrophobicContact CD1-CG2 3.81Å; I614-T652 HydrophobicContact CG1-CG2 4.4Å; I614-I653 PolarHBondContact N-O 3.3Å; I614-I655 PolarHBondContact O-N 3.08Å |
| 615 | L | 95.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 106.7 | 178.9 | -176.7 | 68.2 | 0 | 0 | 0 | 110.1 | T552 A555 M569 I570 R571 V572 I655 T657 | T552-L615 HydrophobicContact CG2-CD2 3.75Å; A555-L615 HydrophobicContact CB-CD1 4.01Å; A555-L615 HydrophobicContact CB-CD2 4.44Å; M569-L615 HydrophobicContact CG-CB 4.37Å; M569-L615 HydrophobicContact SD-CB 4.33Å; M569-L615 HydrophobicContact SD-CD2 4.03Å; I570-L615 PolarHBondContact O-N 3.32Å; R571-L615 HydrophobicContact CG-CD2 4.22Å; V572-L615 PolarHBondContact N-O 2.96Å; L615-I655 CarbonylContact C-O 3.37Å; L615-I655 WeakPolarHBondContact CA-O 3.5Å; L615-I655 HydrophobicContact CD1-CB 3.94Å; L615-I655 HydrophobicContact CD1-CG2 3.56Å; L615-T657 HydrophobicContact CD1-CG2 3.57Å |
| 616 | F | 95.3 | Very high | 89 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 100.7 | 168 | -64.1 | -71.8 | 0 | 0 | 0 | 109 | V572 M574 L602 I614 I619 L630 I654 I655 M656 T657 | V572-F616 HydrophobicContact CB-CD1 4Å; V572-F616 HydrophobicContact CB-CE1 4.2Å; V572-F616 HydrophobicContact CG1-CD1 4.46Å; V572-F616 HydrophobicContact CG2-CD1 4.46Å; V572-F616 HydrophobicContact CG2-CE1 4.24Å; V572-F616 WeakPolarHBondContact O-CA 3.44Å; M574-F616 HydrophobicContact CE-CD1 3.59Å; M574-F616 HydrophobicContact CE-CE1 4.25Å; M574-F616 HydrophobicContact CG-CB 4.18Å; M574-F616 HydrophobicContact SD-CB 4.36Å; M574-F616 HydrophobicContact SD-CD1 3.84Å; L602-F616 HydrophobicContact CD1-CE1 4.48Å; L602-F616 HydrophobicContact CD1-CZ 4.24Å; L602-F616 HydrophobicContact CD2-CE1 4.22Å; L602-F616 HydrophobicContact CD2-CZ 3.93Å; I614-F616 HydrophobicContact CB-CE2 4.44Å; I614-F616 HydrophobicContact CG2-CD2 4.06Å; I614-F616 HydrophobicContact CG2-CE1 4.19Å; I614-F616 HydrophobicContact CG2-CE2 3.48Å; I614-F616 VanDerWaalsContact CG2-CE2 3.48Å; I614-F616 HydrophobicContact CG2-CZ 3.55Å; F616-I619 HydrophobicContact CB-CD1 4.28Å; F616-L630 HydrophobicContact CD2-CD2 4.25Å; F616-L630 HydrophobicContact CE1-CD2 3.92Å; F616-L630 HydrophobicContact CE2-CD2 3.55Å; F616-L630 HydrophobicContact CZ-CD2 3.36Å; F616-I654 HydrophobicContact CD2-CG2 3.92Å; F616-I654 HydrophobicContact CE2-CG2 3.83Å; F616-I655 PolarHBondContact N-O 2.68Å; F616-M656 HydrophobicContact CB-CB 4.49Å; F616-M656 HydrophobicContact CB-CG 3.92Å; F616-M656 HydrophobicContact CD2-CG 3.97Å; F616-M656 HydrophobicContact CG-CG 4.36Å; F616-M656 CarbonylContact O-C 3.04Å; F616-M656 WeakPolarHBondContact O-CA 3.38Å; F616-T657 PolarHBondContact O-N 2.82Å |
| 617 | D | 93.4 | Very high | 89.1 | Confident | 17 Ų | 17 | 40.1 Ų | 40.1 | 9% | 0.091 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 137.1 | -175.1 | -148.9 | 13.2 | 0 | 0 | 0 | 110.8 | R571 V572 M574 T657 | R571-D617 IonicContact CZ-OD2 3.93Å; R571-D617 IonicContact NE-OD2 3.3Å; R571-D617 PolarHBondContact NE-OD2 2.91Å; R571-D617 IonicContact NH2-OD2 3.03Å; R571-D617 PolarHBondContact NH2-OD2 3.4Å; V572-D617 PolarHBondContact O-N 2.89Å; M574-D617 WeakPolarHBondContact CB-O 3.4Å; M574-D617 VanDerWaalsContact CG-O 3.28Å; M574-D617 WeakPolarHBondContact CG-O 3.39Å; M574-D617 PolarHBondContact N-O 3.15Å; D617-T657 VanDerWaalsContact CA-OG1 3.31Å; D617-T657 WeakPolarHBondContact CA-OG1 3.38Å; D617-T657 PolarHBondContact OD1-OG1 2.78Å |
| 618 | E | 91.3 | Very high | 89.3 | Confident | 51 Ų | 51 | 40 Ų | 40 | 24% | 0.238 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 50.2 | 177.7 | -54.6 | -166.5 | 153.4 | 0 | 0 | 114.1 | M574 S575 E620 K621 T657 N659 | M574-E618 WeakPolarHBondContact CB-O 3.47Å; S575-E618 PolarHBondContact OG-OE2 3.35Å; S575-E618 VanDerWaalsContact OG-OE2 3.13Å; E618-E620 PolarHBondContact O-N 2.87Å; E618-K621 HydrophobicContact CB-CG 4.09Å; E618-K621 WeakPolarHBondContact O-CB 3.34Å; E618-K621 PolarHBondContact O-N 2.97Å; E618-T657 WeakPolarHBondContact CA-O 3.38Å; E618-T657 PolarHBondContact N-O 2.83Å; E618-T657 PolarHBondContact N-OG1 3.01Å; E618-N659 PolarHBondContact OE1-ND2 3.06Å |
| 619 | I | 92.3 | Very high | 89.7 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -57.3 | -22 | -172.5 | -165.4 | 55.3 | 0 | 0 | 0 | 114.6 | M574 F616 K621 A622 F627 L630 M656 T657 F697 | M574-I619 HydrophobicContact CG-CD1 3.76Å; M574-I619 HydrophobicContact SD-CD1 3.84Å; F616-I619 HydrophobicContact CB-CD1 4.28Å; I619-K621 PolarHBondContact O-N 3.22Å; I619-A622 HydrophobicContact CD1-CB 4.42Å; I619-A622 WeakPolarHBondContact O-CB 3.31Å; I619-A622 PolarHBondContact O-N 2.57Å; I619-F627 HydrophobicContact CD1-CD1 4.42Å; I619-F627 HydrophobicContact CD1-CE1 3.8Å; I619-F627 HydrophobicContact CG1-CE1 3.85Å; I619-L630 HydrophobicContact CD1-CD1 3.95Å; I619-M656 HydrophobicContact CB-CB 4.29Å; I619-M656 HydrophobicContact CG1-CB 4.32Å; I619-M656 HydrophobicContact CG1-CG 4.36Å; I619-M656 HydrophobicContact CG1-SD 4.47Å; I619-M656 HydrophobicContact CG2-CB 4.26Å; I619-T657 VanDerWaalsContact CG2-O 3.3Å; I619-T657 WeakPolarHBondContact CG2-O 3.46Å; I619-T657 PolarHBondContact N-O 3.26Å; I619-F697 HydrophobicContact CG1-CE1 4.28Å; I619-F697 HydrophobicContact CG2-CE1 4.15Å; I619-F697 HydrophobicContact CG2-CZ 3.68Å |
| 620 | E | 89.7 | Confident | 90.3 | Very high | 50 Ų | 50 | 28.1 Ų | 28.1 | 23% | 0.234 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -68.2 | -17.7 | 173 | 68 | -86.9 | -160.4 | 0 | 0 | 114.7 | E618 S658 N659 V660 F697 | E618-E620 PolarHBondContact O-N 2.87Å; E620-S658 WeakPolarHBondContact OE2-CA 3.35Å; E620-S658 WeakPolarHBondContact OE2-CB 3.5Å; E620-S658 PolarHBondContact OE2-OG 2.99Å; E620-N659 WeakPolarHBondContact OE1-CB 3.5Å; E620-N659 PolarHBondContact OE1-N 3.36Å; E620-V660 HydrophobicContact CB-CG2 3.59Å; E620-V660 HydrophobicContact CG-CG2 3.84Å; E620-F697 HydrophobicContact CB-CZ 4.11Å |
| 621 | K | 90.6 | Very high | 90.9 | Very high | 101 Ų | 101 | 28.4 Ų | 28.4 | 44% | 0.439 | 14% | 0.143 | S | C | . | . | G | 310 helix | trans | -84 | -18.5 | 178 | -59 | -61.2 | -175.9 | -178.9 | 0 | 112.4 | M578 E618 I619 | M578-K621 HydrophobicContact CG-CB 4.34Å; M578-K621 VanDerWaalsContact CG-O 3.25Å; M578-K621 WeakPolarHBondContact CG-O 3.24Å; E618-K621 HydrophobicContact CB-CG 4.09Å; E618-K621 WeakPolarHBondContact O-CB 3.34Å; E618-K621 PolarHBondContact O-N 2.97Å; I619-K621 PolarHBondContact O-N 3.22Å |
| 622 | A | 92.3 | Very high | 91.2 | Very high | 9 Ų | 9 | 30.5 Ų | 30.5 | 7% | 0.074 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -63 | 146.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | M574 I619 V626 F627 | M574-A622 HydrophobicContact CB-CB 4.07Å; M574-A622 HydrophobicContact CG-CB 4.44Å; M574-A622 HydrophobicContact SD-CB 4.19Å; I619-A622 HydrophobicContact CD1-CB 4.42Å; I619-A622 WeakPolarHBondContact O-CB 3.31Å; I619-A622 PolarHBondContact O-N 2.57Å; A622-V626 HydrophobicContact CB-CB 4.07Å; A622-V626 HydrophobicContact CB-CG1 4.33Å; A622-V626 HydrophobicContact CB-CG2 4.12Å; A622-F627 HydrophobicContact CB-CE1 4.18Å; A622-F627 HydrophobicContact CB-CZ 4.04Å |
| 623 | H | 92 | Very high | 91.4 | Very high | 48 Ų | 48 | 30.5 Ų | 30.5 | 22% | 0.222 | 15% | 0.154 | C | C | . | . | trans | -61.9 | 144.3 | 166 | -173.5 | -94.5 | 0 | 0 | 0 | 110.8 | F577 M578 V583 D625 V626 | F577-H623 WeakPolarHBondContact O-CB 3.48Å; F577-H623 PolarHBondContact O-N 2.9Å; M578-H623 WeakPolarHBondContact O-CB 3.16Å; V583-H623 HydrophobicContact CG2-CB 4.14Å; H623-D625 VanDerWaalsContact CE1-CG 3.42Å; H623-D625 IonicContact CE1-OD1 2.65Å; H623-D625 IonicContact CE1-OD2 3.77Å; H623-D625 PolarHBondContact CE1-OD2 2.68Å; H623-D625 VanDerWaalsContact CE1-OD2 3.26Å; H623-D625 WeakPolarHBondContact ND1-CB 3.33Å; H623-D625 PolarHBondContact ND1-N 2.81Å; H623-D625 VanDerWaalsContact ND1-N 3.14Å; H623-D625 IonicContact ND1-OD2 2.79Å; H623-D625 PolarHBondContact O-N 2.87Å; H623-V626 WeakPolarHBondContact O-CB 3.27Å; H623-V626 WeakPolarHBondContact O-CG2 3.2Å; H623-V626 PolarHBondContact O-N 3.09Å | ||
| 624 | P | 89.6 | Confident | 91.3 | Very high | 65 Ų | 65 | 30.6 Ų | 30.6 | 42% | 0.422 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -53 | -28.9 | -179.7 | -31.3 | 36.8 | 0 | 0 | 0 | 116.3 | V626 F627 | P624-V626 PolarHBondContact O-N 3.13Å; P624-F627 HydrophobicContact CB-CD2 4.41Å; P624-F627 WeakPolarHBondContact O-CB 3.39Å; P624-F627 WeakPolarHBondContact O-CD2 3.43Å; P624-F627 PolarHBondContact O-N 3.42Å |
| 625 | D | 89.2 | Confident | 90.9 | Very high | 50 Ų | 50 | 32.2 Ų | 32.2 | 27% | 0.267 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -65.8 | -24.2 | 178.5 | -69.6 | -15.1 | 0 | 0 | 0 | 113.1 | K580 V583 H623 F627 N628 | K580-D625 WeakPolarHBondContact CE-OD2 3.48Å; K580-D625 WeakPolarHBondContact CG-OD2 3.13Å; K580-D625 IonicContact NZ-OD2 2.67Å; V583-D625 HydrophobicContact CG1-CB 4.39Å; V583-D625 HydrophobicContact CG2-CB 4.4Å; H623-D625 VanDerWaalsContact CE1-CG 3.42Å; H623-D625 IonicContact CE1-OD1 2.65Å; H623-D625 IonicContact CE1-OD2 3.77Å; H623-D625 PolarHBondContact CE1-OD2 2.68Å; H623-D625 VanDerWaalsContact CE1-OD2 3.26Å; H623-D625 WeakPolarHBondContact ND1-CB 3.33Å; H623-D625 PolarHBondContact ND1-N 2.81Å; H623-D625 VanDerWaalsContact ND1-N 3.14Å; H623-D625 IonicContact ND1-OD2 2.79Å; H623-D625 PolarHBondContact O-N 2.87Å; D625-F627 VanDerWaalsContact C-N 3.28Å; D625-F627 PolarHBondContact O-N 2.89Å; D625-N628 PolarHBondContact O-N 3.17Å |
| 626 | V | 91.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.5 | -38.7 | 173.9 | 178.4 | 0 | 0 | 0 | 0 | 110.5 | M574 F577 V583 L586 A622 H623 P624 N628 I629 L630 | M574-V626 HydrophobicContact SD-CG1 4.03Å; F577-V626 HydrophobicContact CB-CG2 4.07Å; V583-V626 HydrophobicContact CB-CG2 4.41Å; V583-V626 HydrophobicContact CG1-CG2 4.09Å; V583-V626 HydrophobicContact CG2-CG2 3.67Å; L586-V626 HydrophobicContact CD1-CG1 3.98Å; L586-V626 HydrophobicContact CD1-CG2 4.29Å; A622-V626 HydrophobicContact CB-CB 4.07Å; A622-V626 HydrophobicContact CB-CG1 4.33Å; A622-V626 HydrophobicContact CB-CG2 4.12Å; H623-V626 WeakPolarHBondContact O-CB 3.27Å; H623-V626 WeakPolarHBondContact O-CG2 3.2Å; H623-V626 PolarHBondContact O-N 3.09Å; P624-V626 PolarHBondContact O-N 3.13Å; V626-N628 VanDerWaalsContact C-N 3.27Å; V626-N628 PolarHBondContact O-N 3.21Å; V626-I629 WeakPolarHBondContact O-CB 3.41Å; V626-I629 PolarHBondContact O-N 3Å; V626-I629 VanDerWaalsContact O-N 3.13Å; V626-L630 HydrophobicContact CG1-CD1 4.09Å; V626-L630 HydrophobicContact CG1-CG 4.26Å; V626-L630 WeakPolarHBondContact O-CG 3.45Å; V626-L630 PolarHBondContact O-N 2.89Å |
| 627 | F | 90 | Very high | 90.1 | Very high | 33 Ų | 33 | 36 Ų | 36 | 15% | 0.145 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65 | -31.6 | -179.5 | -51.5 | -51.3 | 0 | 0 | 0 | 112.6 | I619 A622 P624 D625 I629 L630 L631 F697 F701 | I619-F627 HydrophobicContact CD1-CD1 4.42Å; I619-F627 HydrophobicContact CD1-CE1 3.8Å; I619-F627 HydrophobicContact CG1-CE1 3.85Å; A622-F627 HydrophobicContact CB-CE1 4.18Å; A622-F627 HydrophobicContact CB-CZ 4.04Å; P624-F627 HydrophobicContact CB-CD2 4.41Å; P624-F627 WeakPolarHBondContact O-CB 3.39Å; P624-F627 WeakPolarHBondContact O-CD2 3.43Å; P624-F627 PolarHBondContact O-N 3.42Å; D625-F627 VanDerWaalsContact C-N 3.28Å; D625-F627 PolarHBondContact O-N 2.89Å; F627-I629 VanDerWaalsContact C-N 3.32Å; F627-I629 PolarHBondContact O-N 2.97Å; F627-L630 PolarHBondContact O-N 3.42Å; F627-L631 WeakPolarHBondContact O-CB 3.15Å; F627-L631 WeakPolarHBondContact O-CG 3.46Å; F627-L631 PolarHBondContact O-N 3.32Å; F627-F697 HydrophobicContact CE1-CD1 4.09Å; F627-F697 AromaticContact CE1-CE1 3.67Å; F627-F697 HydrophobicContact CE1-CE1 3.67Å; F627-F697 HydrophobicContact CE2-CD1 4.49Å; F627-F697 HydrophobicContact CE2-CE1 4.43Å; F627-F697 HydrophobicContact CZ-CD1 4.05Å; F627-F697 AromaticContact CZ-CE1 3.61Å; F627-F697 HydrophobicContact CZ-CE1 3.61Å; F627-F701 HydrophobicContact CB-CD2 4.29Å; F627-F701 HydrophobicContact CB-CE2 4.47Å; F627-F701 HydrophobicContact CD1-CE2 4.22Å; F627-F701 HydrophobicContact CD1-CZ 4.11Å |
| 628 | N | 87 | Confident | 89.8 | Confident | 83 Ų | 83 | 38.6 Ų | 38.6 | 44% | 0.444 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65.2 | -38.3 | 175.6 | -63.7 | -34.2 | 0 | 0 | 0 | 111.6 | D625 V626 | D625-N628 PolarHBondContact O-N 3.17Å; V626-N628 VanDerWaalsContact C-N 3.27Å; V626-N628 PolarHBondContact O-N 3.21Å |
| 629 | I | 88.8 | Confident | 89.8 | Confident | 30 Ų | 30 | 36.3 Ų | 36.3 | 15% | 0.154 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.7 | -45.1 | 175.6 | -64.4 | 169.8 | 0 | 0 | 0 | 109.8 | V583 V587 V626 F627 L631 Q632 V633 L639 | V583-I629 HydrophobicContact CG1-CD1 3.37Å; V587-I629 HydrophobicContact CG2-CD1 3.75Å; V587-I629 HydrophobicContact CG2-CG1 4.41Å; V587-I629 HydrophobicContact CG2-CG2 4.16Å; V626-I629 WeakPolarHBondContact O-CB 3.41Å; V626-I629 PolarHBondContact O-N 3Å; V626-I629 VanDerWaalsContact O-N 3.13Å; F627-I629 VanDerWaalsContact C-N 3.32Å; F627-I629 PolarHBondContact O-N 2.97Å; I629-L631 VanDerWaalsContact C-N 3.32Å; I629-L631 PolarHBondContact O-N 3.45Å; I629-Q632 WeakPolarHBondContact O-CB 3.48Å; I629-Q632 PolarHBondContact O-N 3.28Å; I629-V633 PolarHBondContact O-N 3.19Å; I629-L639 HydrophobicContact CG2-CD1 3.73Å; I629-L639 HydrophobicContact CG2-CD2 3.78Å; I629-L639 HydrophobicContact CG2-CG 4.44Å |
| 630 | L | 91.5 | Very high | 89.4 | Confident | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.016 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.6 | -32.8 | 178.9 | -66.2 | 180 | 0 | 0 | 0 | 112.9 | F616 I619 V626 F627 Q632 V633 L634 M656 F701 | F616-L630 HydrophobicContact CD2-CD2 4.25Å; F616-L630 HydrophobicContact CE1-CD2 3.92Å; F616-L630 HydrophobicContact CE2-CD2 3.55Å; F616-L630 HydrophobicContact CZ-CD2 3.36Å; I619-L630 HydrophobicContact CD1-CD1 3.95Å; V626-L630 HydrophobicContact CG1-CD1 4.09Å; V626-L630 HydrophobicContact CG1-CG 4.26Å; V626-L630 WeakPolarHBondContact O-CG 3.45Å; V626-L630 PolarHBondContact O-N 2.89Å; F627-L630 PolarHBondContact O-N 3.42Å; L630-Q632 VanDerWaalsContact C-N 3.31Å; L630-Q632 PolarHBondContact O-N 3.33Å; L630-V633 PolarHBondContact O-N 3.39Å; L630-L634 WeakPolarHBondContact O-CB 3.28Å; L630-L634 VanDerWaalsContact O-CG 3.23Å; L630-L634 WeakPolarHBondContact O-CG 3.13Å; L630-L634 PolarHBondContact O-N 3.32Å; L630-M656 HydrophobicContact CD1-SD 4.48Å; L630-F701 HydrophobicContact CB-CE2 3.92Å; L630-F701 HydrophobicContact CD1-CE2 4.23Å; L630-F701 HydrophobicContact CD1-CZ 4.29Å |
| 631 | L | 91 | Very high | 89.1 | Confident | 32 Ų | 32 | 37 Ų | 37 | 17% | 0.168 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.6 | -45.3 | 173.5 | -82.4 | 170.3 | 0 | 0 | 0 | 111.4 | F627 I629 V633 L634 D635 F701 R704 | F627-L631 WeakPolarHBondContact O-CB 3.15Å; F627-L631 WeakPolarHBondContact O-CG 3.46Å; F627-L631 PolarHBondContact O-N 3.32Å; I629-L631 VanDerWaalsContact C-N 3.32Å; I629-L631 PolarHBondContact O-N 3.45Å; L631-V633 VanDerWaalsContact C-N 3.31Å; L631-V633 PolarHBondContact O-N 3Å; L631-L634 PolarHBondContact O-N 3.13Å; L631-D635 WeakPolarHBondContact O-CB 3.23Å; L631-D635 PolarHBondContact O-N 2.96Å; L631-F701 HydrophobicContact CD2-CD2 4.34Å; L631-F701 HydrophobicContact CG-CD2 4.35Å; L631-R704 HydrophobicContact CD2-CB 4.48Å; L631-R704 HydrophobicContact CD2-CG 3.68Å |
| 632 | Q | 88.5 | Confident | 88.7 | Confident | 68 Ų | 68 | 34.3 Ų | 34.3 | 32% | 0.318 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -60.5 | -42.4 | 176.6 | -170 | -178.8 | -0.2 | 0 | 0 | 111.6 | I629 L630 D636 | I629-Q632 WeakPolarHBondContact O-CB 3.48Å; I629-Q632 PolarHBondContact O-N 3.28Å; L630-Q632 VanDerWaalsContact C-N 3.31Å; L630-Q632 PolarHBondContact O-N 3.33Å; Q632-D636 PolarHBondContact O-N 3.26Å |
| 633 | V | 92.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.6 | -40 | 178.3 | 176.8 | 0 | 0 | 0 | 0 | 112 | P537 I629 L630 L631 G637 L639 F649 I654 | P537-V633 WeakPolarHBondContact CG-O 3.32Å; I629-V633 PolarHBondContact O-N 3.19Å; L630-V633 PolarHBondContact O-N 3.39Å; L631-V633 VanDerWaalsContact C-N 3.31Å; L631-V633 PolarHBondContact O-N 3Å; V633-G637 VanDerWaalsContact O-CA 3.27Å; V633-G637 WeakPolarHBondContact O-CA 3.46Å; V633-G637 PolarHBondContact O-N 3.14Å; V633-L639 HydrophobicContact CG2-CB 4.06Å; V633-L639 HydrophobicContact CG2-CD1 4.38Å; V633-L639 HydrophobicContact CG2-CD2 4.25Å; V633-L639 HydrophobicContact CG2-CG 4.47Å; V633-F649 HydrophobicContact CG1-CB 3.75Å; V633-F649 HydrophobicContact CG1-CD1 3.43Å; V633-F649 VanDerWaalsContact CG1-CD1 3.43Å; V633-F649 HydrophobicContact CG1-CD2 4.21Å; V633-F649 HydrophobicContact CG1-CE1 3.99Å; V633-F649 HydrophobicContact CG1-CG 3.54Å; V633-F649 HydrophobicContact CG2-CD1 4.5Å; V633-F649 HydrophobicContact CG2-CD2 4.39Å; V633-F649 HydrophobicContact CG2-CE1 4.39Å; V633-F649 HydrophobicContact CG2-CE2 4.33Å; V633-F649 HydrophobicContact CG2-CG 4.48Å; V633-F649 HydrophobicContact CG2-CZ 4.32Å; V633-I654 HydrophobicContact CG1-CD1 3.44Å; V633-I654 VanDerWaalsContact CG1-CD1 3.44Å |
| 634 | L | 91.3 | Very high | 86.8 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -75.4 | -28.3 | -177.8 | -68.2 | 170 | 0 | 0 | 0 | 113.4 | R536 L630 L631 I654 F701 R704 | R536-L634 PolarHBondContact NE-O 3.34Å; R536-L634 VanDerWaalsContact NE-O 3.09Å; L630-L634 WeakPolarHBondContact O-CB 3.28Å; L630-L634 VanDerWaalsContact O-CG 3.23Å; L630-L634 WeakPolarHBondContact O-CG 3.13Å; L630-L634 PolarHBondContact O-N 3.32Å; L631-L634 PolarHBondContact O-N 3.13Å; L634-I654 HydrophobicContact CD2-CD1 3.98Å; L634-I654 HydrophobicContact CD2-CG2 4.42Å; L634-F701 HydrophobicContact CD1-CD2 4.33Å; L634-F701 HydrophobicContact CD1-CE2 3.94Å; L634-R704 HydrophobicContact CB-CB 3.9Å; L634-R704 HydrophobicContact CD1-CB 4.11Å |
| 635 | D | 87.1 | Confident | 86.1 | Confident | 34 Ų | 34 | 39.2 Ų | 39.2 | 18% | 0.182 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -90.1 | -54.9 | -178.3 | -79.6 | -18.1 | 0 | 0 | 0 | 113.1 | R536 L631 R704 | R536-D635 WeakPolarHBondContact CG-O 3.21Å; L631-D635 WeakPolarHBondContact O-CB 3.23Å; L631-D635 PolarHBondContact O-N 2.96Å; D635-R704 VanDerWaalsContact CG-NH1 3.34Å; D635-R704 WeakPolarHBondContact OD1-CD 3.5Å; D635-R704 WeakPolarHBondContact OD1-CG 3.46Å; D635-R704 IonicContact OD1-CZ 2.82Å; D635-R704 IonicContact OD1-NE 2.67Å; D635-R704 PolarHBondContact OD1-NE 3.42Å; D635-R704 IonicContact OD1-NH1 3.12Å; D635-R704 PolarHBondContact OD1-NH1 2.86Å; D635-R704 IonicContact OD1-NH2 3.45Å; D635-R704 IonicContact OD2-CZ 3.37Å; D635-R704 IonicContact OD2-NE 3.54Å; D635-R704 PolarHBondContact OD2-NE 3.34Å; D635-R704 VanDerWaalsContact OD2-NE 3.12Å; D635-R704 IonicContact OD2-NH1 3.99Å; D635-R704 PolarHBondContact OD2-NH1 3.25Å; D635-R704 IonicContact OD2-NH2 3.75Å; D635-R704 PolarHBondContact OD2-NH2 3.49Å |
| 636 | D | 85.1 | Confident | 85.7 | Confident | 79 Ų | 79 | 41.5 Ų | 41.5 | 42% | 0.422 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -101.4 | -8.5 | -170.8 | -62.5 | -36.2 | 0 | 0 | 0 | 112.7 | K535 Q632 H638 | K535-D636 CarbonylContact O-C 3.55Å; Q632-D636 PolarHBondContact O-N 3.26Å; D636-H638 PolarHBondContact O-CD2 3.08Å; D636-H638 PolarHBondContact O-N 2.94Å; D636-H638 VanDerWaalsContact O-N 3.15Å |
| 637 | G | 87.4 | Confident | 85.4 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | S | Bend | trans | 63.1 | 20.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | K535 V633 F649 R650 | K535-G637 WeakPolarHBondContact O-CA 3.38Å; K535-G637 PolarHBondContact O-N 2.94Å; K535-G637 VanDerWaalsContact O-N 3.09Å; V633-G637 VanDerWaalsContact O-CA 3.27Å; V633-G637 WeakPolarHBondContact O-CA 3.46Å; V633-G637 PolarHBondContact O-N 3.14Å; G637-F649 CarbonylContact O-C 3.59Å; G637-F649 WeakPolarHBondContact O-CA 3.41Å; G637-F649 WeakPolarHBondContact O-CB 3.34Å; G637-F649 PolarHBondContact O-N 2.87Å; G637-R650 PolarHBondContact O-N 3.01Å |
| 638 | H | 88.5 | Confident | 85.2 | Confident | 71 Ų | 71 | 40.7 Ų | 40.7 | 33% | 0.329 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 156.2 | 174.9 | 67.3 | 68.6 | 0 | 0 | 0 | 111.7 | D636 V647 | D636-H638 PolarHBondContact O-CD2 3.08Å; D636-H638 PolarHBondContact O-N 2.94Å; D636-H638 VanDerWaalsContact O-N 3.15Å; H638-V647 CarbonylContact C-O 3.45Å; H638-V647 WeakPolarHBondContact CA-O 3.45Å; H638-V647 WeakPolarHBondContact CB-O 3.27Å |
| 639 | L | 89.7 | Confident | 85.3 | Confident | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 132.5 | 174.1 | -172.6 | 61.8 | 0 | 0 | 0 | 109.8 | V587 T603 I629 V633 V647 F649 | V587-L639 HydrophobicContact CG2-CD2 4.29Å; T603-L639 HydrophobicContact CG2-CD2 3.72Å; T603-L639 HydrophobicContact CG2-CG 4.16Å; I629-L639 HydrophobicContact CG2-CD1 3.73Å; I629-L639 HydrophobicContact CG2-CD2 3.78Å; I629-L639 HydrophobicContact CG2-CG 4.44Å; V633-L639 HydrophobicContact CG2-CB 4.06Å; V633-L639 HydrophobicContact CG2-CD1 4.38Å; V633-L639 HydrophobicContact CG2-CD2 4.25Å; V633-L639 HydrophobicContact CG2-CG 4.47Å; L639-V647 PolarHBondContact N-O 2.94Å; L639-V647 PolarHBondContact O-N 3.33Å; L639-F649 HydrophobicContact CB-CD2 4.25Å; L639-F649 HydrophobicContact CB-CE2 3.59Å; L639-F649 HydrophobicContact CB-CZ 4.32Å; L639-F649 HydrophobicContact CD2-CE2 4.44Å; L639-F649 HydrophobicContact CD2-CZ 4.38Å |
| 640 | T | 84.3 | Confident | 85.1 | Confident | 56 Ų | 56 | 39.7 Ų | 39.7 | 34% | 0.344 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 125.4 | 175.9 | -50.2 | 0 | 0 | 0 | 0 | 109.5 | V587 R645 | V587-T640 WeakPolarHBondContact CG1-O 3.35Å; T640-R645 CarbonylContact C-O 3.44Å; T640-R645 WeakPolarHBondContact CA-O 3.33Å |
| 641 | D | 84.6 | Confident | 84.7 | Confident | 8 Ų | 8 | 40.5 Ų | 40.5 | 4% | 0.043 | 21% | 0.213 | C | C | . | . | trans | -74.1 | 174.6 | 175.5 | 77.3 | 7.4 | 0 | 0 | 0 | 112.2 | V587 T603 K643 G644 R645 | V587-D641 WeakPolarHBondContact O-CB 3.32Å; T603-D641 HydrophobicContact CG2-CB 4.21Å; D641-K643 PolarHBondContact O-N 2.91Å; D641-K643 VanDerWaalsContact OD1-C 3.25Å; D641-K643 VanDerWaalsContact OD1-CA 3.25Å; D641-K643 WeakPolarHBondContact OD1-CA 3.42Å; D641-K643 WeakPolarHBondContact OD1-CB 3.28Å; D641-K643 PolarHBondContact OD1-N 2.8Å; D641-G644 PolarHBondContact O-N 2.93Å; D641-G644 VanDerWaalsContact O-N 3.09Å; D641-G644 PolarHBondContact OD1-N 2.82Å; D641-R645 PolarHBondContact N-O 3.47Å; D641-R645 PolarHBondContact OD1-N 3.47Å; D641-R645 WeakPolarHBondContact OD2-CB 3.45Å; D641-R645 WeakPolarHBondContact OD2-CD 3.39Å | ||
| 642 | T | 80.8 | Confident | 84.6 | Confident | 45 Ų | 45 | 39 Ų | 39 | 28% | 0.276 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -9.5 | 178.1 | 52.3 | 0 | 0 | 0 | 0 | 114.3 | V587 G588 A589 | V587-T642 HydrophobicContact CG1-CG2 4.35Å; G588-T642 WeakPolarHBondContact O-CG2 3.49Å; A589-T642 WeakPolarHBondContact O-CB 3.5Å; A589-T642 PolarHBondContact O-OG1 3.39Å |
| 643 | K | 72.1 | Confident | 84.8 | Confident | 57 Ų | 57 | 35.7 Ų | 35.7 | 25% | 0.248 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | -1.4 | 173.1 | -64.2 | -176.8 | 179.8 | 179.3 | 0 | 112.3 | H596 D597 D641 R645 | H596-K643 WeakPolarHBondContact O-CE 3.41Å; D597-K643 PolarHBondContact O-NZ 3.02Å; D641-K643 PolarHBondContact O-N 2.91Å; D641-K643 VanDerWaalsContact OD1-C 3.25Å; D641-K643 VanDerWaalsContact OD1-CA 3.25Å; D641-K643 WeakPolarHBondContact OD1-CA 3.42Å; D641-K643 WeakPolarHBondContact OD1-CB 3.28Å; D641-K643 PolarHBondContact OD1-N 2.8Å; K643-R645 HydrophobicContact CB-CG 4.36Å |
| 644 | G | 73.7 | Confident | 84.9 | Confident | 53 Ų | 53 | 35.8 Ų | 35.8 | 55% | 0.546 | 19% | 0.191 | S | C | . | . | S | Bend | trans | 85.9 | 6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | D641 | D641-G644 PolarHBondContact O-N 2.93Å; D641-G644 VanDerWaalsContact O-N 3.09Å; D641-G644 PolarHBondContact OD1-N 2.82Å |
| 645 | R | 73.6 | Confident | 85.1 | Confident | 115 Ų | 115 | 35.7 Ų | 35.7 | 43% | 0.434 | 19% | 0.19 | S | C | . | . | P | Polyproline II helix | trans | -80.3 | 131 | 178.7 | -54.1 | 173.3 | 177.2 | 174.6 | -4.8 | 109.6 | T640 D641 K643 | T640-R645 CarbonylContact C-O 3.44Å; T640-R645 WeakPolarHBondContact CA-O 3.33Å; D641-R645 PolarHBondContact N-O 3.47Å; D641-R645 PolarHBondContact OD1-N 3.47Å; D641-R645 WeakPolarHBondContact OD2-CB 3.45Å; D641-R645 WeakPolarHBondContact OD2-CD 3.39Å; K643-R645 HydrophobicContact CB-CG 4.36Å |
| 646 | T | 81.9 | Confident | 85.5 | Confident | 99 Ų | 99 | 34.1 Ų | 34.1 | 61% | 0.607 | 18% | 0.182 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 119.8 | 174.5 | 44.8 | 0 | 0 | 0 | 0 | 110.6 | ||
| 647 | V | 85.5 | Confident | 85.9 | Confident | 3 Ų | 3 | 30.3 Ų | 30.3 | 2% | 0.018 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 132.4 | 175.4 | -179.1 | 0 | 0 | 0 | 0 | 109.5 | T603 V606 R607 H638 L639 F649 | T603-V647 HydrophobicContact CG2-CG2 4.15Å; V606-V647 HydrophobicContact CB-CG1 3.85Å; V606-V647 HydrophobicContact CG1-CG1 3.71Å; R607-V647 HydrophobicContact CB-CG1 4.32Å; R607-V647 HydrophobicContact CB-CG2 4.34Å; H638-V647 CarbonylContact C-O 3.45Å; H638-V647 WeakPolarHBondContact CA-O 3.45Å; H638-V647 WeakPolarHBondContact CB-O 3.27Å; L639-V647 PolarHBondContact N-O 2.94Å; L639-V647 PolarHBondContact O-N 3.33Å; V647-F649 HydrophobicContact CB-CE2 4.09Å; V647-F649 HydrophobicContact CG1-CD2 4.33Å; V647-F649 HydrophobicContact CG1-CE2 3.78Å; V647-F649 HydrophobicContact CG1-CZ 4.46Å; V647-F649 WeakPolarHBondContact O-CD2 3.35Å |
| 648 | D | 84.6 | Confident | 86.1 | Confident | 12 Ų | 12 | 30.3 Ų | 30.3 | 6% | 0.064 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 125.1 | -175.3 | -170.9 | 2.6 | 0 | 0 | 0 | 112.2 | V606 R650 | V606-D648 WeakPolarHBondContact CG1-O 2.94Å; D648-R650 WeakPolarHBondContact OD1-CB 3.4Å; D648-R650 WeakPolarHBondContact OD1-CG 3.23Å; D648-R650 IonicContact OD1-CZ 2.75Å; D648-R650 PolarHBondContact OD1-N 3.42Å; D648-R650 IonicContact OD1-NE 3.34Å; D648-R650 PolarHBondContact OD1-NE 3.26Å; D648-R650 IonicContact OD1-NH2 3.92Å; D648-R650 IonicContact OD2-CZ 2.99Å; D648-R650 VanDerWaalsContact OD2-CZ 3.26Å; D648-R650 IonicContact OD2-NE 3.39Å; D648-R650 PolarHBondContact OD2-NE 3.42Å; D648-R650 IonicContact OD2-NH2 3.65Å; D648-R650 PolarHBondContact OD2-NH2 3.3Å |
| 649 | F | 89.7 | Confident | 85.9 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -112.4 | -0.3 | 177.3 | -71.2 | -105.9 | 0 | 0 | 0 | 112.6 | P537 L602 V606 I614 V633 G637 L639 V647 N651 T652 | P537-F649 WeakPolarHBondContact CA-O 3.27Å; L602-F649 HydrophobicContact CD1-CE1 4.25Å; L602-F649 HydrophobicContact CD2-CE1 4.09Å; L602-F649 HydrophobicContact CD2-CZ 4.01Å; L602-F649 HydrophobicContact CG-CE1 4.11Å; L602-F649 HydrophobicContact CG-CZ 3.95Å; V606-F649 HydrophobicContact CB-CE1 4.25Å; V606-F649 HydrophobicContact CB-CZ 4.11Å; V606-F649 HydrophobicContact CG1-CD1 4.12Å; V606-F649 HydrophobicContact CG1-CD2 4.28Å; V606-F649 HydrophobicContact CG1-CE1 4.06Å; V606-F649 HydrophobicContact CG1-CE2 4.17Å; V606-F649 HydrophobicContact CG1-CG 4.24Å; V606-F649 HydrophobicContact CG1-CZ 4.07Å; V606-F649 HydrophobicContact CG2-CD1 4.35Å; V606-F649 HydrophobicContact CG2-CE1 3.69Å; V606-F649 HydrophobicContact CG2-CZ 3.92Å; I614-F649 HydrophobicContact CD1-CD1 3.5Å; I614-F649 HydrophobicContact CD1-CE1 3.5Å; I614-F649 VanDerWaalsContact CD1-CE1 3.5Å; V633-F649 HydrophobicContact CG1-CB 3.75Å; V633-F649 HydrophobicContact CG1-CD1 3.43Å; V633-F649 VanDerWaalsContact CG1-CD1 3.43Å; V633-F649 HydrophobicContact CG1-CD2 4.21Å; V633-F649 HydrophobicContact CG1-CE1 3.99Å; V633-F649 HydrophobicContact CG1-CG 3.54Å; V633-F649 HydrophobicContact CG2-CD1 4.5Å; V633-F649 HydrophobicContact CG2-CD2 4.39Å; V633-F649 HydrophobicContact CG2-CE1 4.39Å; V633-F649 HydrophobicContact CG2-CE2 4.33Å; V633-F649 HydrophobicContact CG2-CG 4.48Å; V633-F649 HydrophobicContact CG2-CZ 4.32Å; G637-F649 CarbonylContact O-C 3.59Å; G637-F649 WeakPolarHBondContact O-CA 3.41Å; G637-F649 WeakPolarHBondContact O-CB 3.34Å; G637-F649 PolarHBondContact O-N 2.87Å; L639-F649 HydrophobicContact CB-CD2 4.25Å; L639-F649 HydrophobicContact CB-CE2 3.59Å; L639-F649 HydrophobicContact CB-CZ 4.32Å; L639-F649 HydrophobicContact CD2-CE2 4.44Å; L639-F649 HydrophobicContact CD2-CZ 4.38Å; V647-F649 HydrophobicContact CB-CE2 4.09Å; V647-F649 HydrophobicContact CG1-CD2 4.33Å; V647-F649 HydrophobicContact CG1-CE2 3.78Å; V647-F649 HydrophobicContact CG1-CZ 4.46Å; V647-F649 WeakPolarHBondContact O-CD2 3.35Å; F649-N651 PolarHBondContact O-N 2.94Å; F649-T652 HydrophobicContact CB-CG2 4.38Å; F649-T652 HydrophobicContact CD1-CG2 4.28Å; F649-T652 WeakPolarHBondContact O-CB 3.44Å; F649-T652 PolarHBondContact O-N 2.9Å; F649-T652 PolarHBondContact O-OG1 3.3Å | ||
| 650 | R | 85 | Confident | 85.6 | Confident | 93 Ų | 93 | 29.4 Ų | 29.4 | 35% | 0.351 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -27.4 | -179.1 | -65.4 | 173 | -66 | 173.9 | 3.4 | 112.7 | P534 P537 I538 G637 D648 | P534-R650 WeakPolarHBondContact O-CD 3.48Å; P534-R650 WeakPolarHBondContact O-CG 3.41Å; P537-R650 CarbonylContact C-O 3.48Å; P537-R650 WeakPolarHBondContact CA-O 3.39Å; I538-R650 PolarHBondContact N-O 2.93Å; G637-R650 PolarHBondContact O-N 3.01Å; D648-R650 WeakPolarHBondContact OD1-CB 3.4Å; D648-R650 WeakPolarHBondContact OD1-CG 3.23Å; D648-R650 IonicContact OD1-CZ 2.75Å; D648-R650 PolarHBondContact OD1-N 3.42Å; D648-R650 IonicContact OD1-NE 3.34Å; D648-R650 PolarHBondContact OD1-NE 3.26Å; D648-R650 IonicContact OD1-NH2 3.92Å; D648-R650 IonicContact OD2-CZ 2.99Å; D648-R650 VanDerWaalsContact OD2-CZ 3.26Å; D648-R650 IonicContact OD2-NE 3.39Å; D648-R650 PolarHBondContact OD2-NE 3.42Å; D648-R650 IonicContact OD2-NH2 3.65Å; D648-R650 PolarHBondContact OD2-NH2 3.3Å |
| 651 | N | 82.4 | Confident | 85 | Confident | 19 Ų | 19 | 27.3 Ų | 27.3 | 10% | 0.102 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 12.3 | -179.6 | -62 | -57.4 | 0 | 0 | 0 | 114.5 | I538 P610 Y611 F649 | I538-N651 WeakPolarHBondContact CD1-O 3.38Å; P610-N651 CarbonylContact O-C 3.45Å; Y611-N651 HydrophobicContact CD1-CB 3.72Å; Y611-N651 HydrophobicContact CD2-CB 4.27Å; Y611-N651 HydrophobicContact CE1-CB 3.38Å; Y611-N651 VanDerWaalsContact CE1-CG 3.44Å; Y611-N651 HydrophobicContact CE2-CB 3.88Å; Y611-N651 HydrophobicContact CG-CB 4.15Å; Y611-N651 VanDerWaalsContact CZ-CB 3.43Å; Y611-N651 PolarHBondContact OH-ND2 3.08Å; Y611-N651 PolarHBondContact OH-OD1 3.48Å; F649-N651 PolarHBondContact O-N 2.94Å |
| 652 | T | 89.3 | Confident | 84.3 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -101.4 | 153.9 | -179.4 | 67.6 | 0 | 0 | 0 | 0 | 111.3 | P537 I538 V606 P610 S612 I614 F649 | P537-T652 WeakPolarHBondContact CB-O 3.3Å; I538-T652 PolarHBondContact N-O 2.65Å; V606-T652 HydrophobicContact CG1-CG2 4.07Å; P610-T652 WeakPolarHBondContact O-CG2 3.01Å; S612-T652 WeakPolarHBondContact O-CA 3.42Å; I614-T652 HydrophobicContact CD1-CG2 3.81Å; I614-T652 HydrophobicContact CG1-CG2 4.4Å; F649-T652 HydrophobicContact CB-CG2 4.38Å; F649-T652 HydrophobicContact CD1-CG2 4.28Å; F649-T652 WeakPolarHBondContact O-CB 3.44Å; F649-T652 PolarHBondContact O-N 2.9Å; F649-T652 PolarHBondContact O-OG1 3.3Å | ||
| 653 | I | 92.2 | Very high | 83.6 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 121.6 | 166.2 | -60 | 172.1 | 0 | 0 | 0 | 107.5 | V524 I538 F541 L558 M562 S612 V613 I614 I655 | V524-I653 HydrophobicContact CG2-CD1 4.09Å; I538-I653 HydrophobicContact CB-CG1 3.85Å; I538-I653 HydrophobicContact CG2-CD1 4.24Å; I538-I653 HydrophobicContact CG2-CG1 3.87Å; F541-I653 HydrophobicContact CD2-CG2 4.15Å; F541-I653 HydrophobicContact CE2-CG2 3.82Å; L558-I653 HydrophobicContact CD1-CD1 4.38Å; L558-I653 HydrophobicContact CD2-CB 4.45Å; L558-I653 HydrophobicContact CD2-CD1 3.72Å; L558-I653 HydrophobicContact CD2-CG2 3.79Å; L558-I653 HydrophobicContact CG-CD1 4.01Å; M562-I653 HydrophobicContact CG-CD1 4.47Å; S612-I653 PolarHBondContact O-N 2.85Å; V613-I653 CarbonylContact C-O 3.53Å; V613-I653 WeakPolarHBondContact CA-O 3.18Å; V613-I653 HydrophobicContact CG2-CB 4.39Å; I614-I653 PolarHBondContact N-O 3.3Å; I653-I655 HydrophobicContact CG2-CG1 4.24Å |
| 654 | I | 94.6 | Very high | 83.2 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 120.4 | -175.8 | -60.2 | 177 | 0 | 0 | 0 | 109.1 | P537 G539 S540 F541 F616 V633 L634 M656 | P537-I654 HydrophobicContact CB-CD1 4.05Å; P537-I654 HydrophobicContact CB-CG1 4.33Å; P537-I654 HydrophobicContact CG-CD1 3.66Å; P537-I654 HydrophobicContact CG-CG1 4.46Å; G539-I654 PolarHBondContact O-N 3.27Å; S540-I654 CarbonylContact C-O 3.43Å; S540-I654 WeakPolarHBondContact CA-O 3.49Å; F541-I654 PolarHBondContact N-O 2.95Å; F616-I654 HydrophobicContact CD2-CG2 3.92Å; F616-I654 HydrophobicContact CE2-CG2 3.83Å; V633-I654 HydrophobicContact CG1-CD1 3.44Å; V633-I654 VanDerWaalsContact CG1-CD1 3.44Å; L634-I654 HydrophobicContact CD2-CD1 3.98Å; L634-I654 HydrophobicContact CD2-CG2 4.42Å; I654-M656 HydrophobicContact CG2-CE 4.33Å; I654-M656 HydrophobicContact CG2-CG 4.43Å |
| 655 | I | 95.3 | Very high | 82.7 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 127.4 | 177.6 | -61.2 | 176.6 | 0 | 0 | 0 | 108.2 | F541 F543 A555 L558 V613 I614 L615 F616 I653 | F541-I655 HydrophobicContact CD2-CG1 4.26Å; F543-I655 HydrophobicContact CD1-CG2 4.19Å; F543-I655 HydrophobicContact CD2-CG2 3.49Å; F543-I655 VanDerWaalsContact CD2-CG2 3.49Å; F543-I655 HydrophobicContact CE1-CG2 4.04Å; F543-I655 HydrophobicContact CE2-CD1 4.03Å; F543-I655 HydrophobicContact CE2-CG1 4.46Å; F543-I655 HydrophobicContact CE2-CG2 3.35Å; F543-I655 HydrophobicContact CG-CG2 3.91Å; F543-I655 HydrophobicContact CZ-CD1 3.82Å; F543-I655 HydrophobicContact CZ-CG1 4.09Å; F543-I655 HydrophobicContact CZ-CG2 3.62Å; A555-I655 HydrophobicContact CB-CD1 3.59Å; L558-I655 HydrophobicContact CD2-CD1 4.18Å; V613-I655 HydrophobicContact CG1-CD1 3.57Å; V613-I655 HydrophobicContact CG1-CG1 4.17Å; I614-I655 PolarHBondContact O-N 3.08Å; L615-I655 CarbonylContact C-O 3.37Å; L615-I655 WeakPolarHBondContact CA-O 3.5Å; L615-I655 HydrophobicContact CD1-CB 3.94Å; L615-I655 HydrophobicContact CD1-CG2 3.56Å; F616-I655 PolarHBondContact N-O 2.68Å; I653-I655 HydrophobicContact CG2-CG1 4.24Å |
| 656 | M | 94.9 | Very high | 82 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 121.5 | 176.1 | -66.1 | 164.4 | -77.4 | 0 | 0 | 108.8 | F541 I542 F543 F616 I619 L630 I654 F701 V705 | F541-M656 PolarHBondContact O-N 3.46Å; I542-M656 CarbonylContact C-O 3.56Å; I542-M656 VanDerWaalsContact CA-O 3.31Å; I542-M656 WeakPolarHBondContact CA-O 3.35Å; I542-M656 HydrophobicContact CD1-CE 4.5Å; I542-M656 HydrophobicContact CG1-CB 4.21Å; I542-M656 HydrophobicContact CG1-CE 3.77Å; I542-M656 HydrophobicContact CG1-SD 4.45Å; F543-M656 PolarHBondContact N-O 3.41Å; F616-M656 HydrophobicContact CB-CB 4.49Å; F616-M656 HydrophobicContact CB-CG 3.92Å; F616-M656 HydrophobicContact CD2-CG 3.97Å; F616-M656 HydrophobicContact CG-CG 4.36Å; F616-M656 CarbonylContact O-C 3.04Å; F616-M656 WeakPolarHBondContact O-CA 3.38Å; I619-M656 HydrophobicContact CB-CB 4.29Å; I619-M656 HydrophobicContact CG1-CB 4.32Å; I619-M656 HydrophobicContact CG1-CG 4.36Å; I619-M656 HydrophobicContact CG1-SD 4.47Å; I619-M656 HydrophobicContact CG2-CB 4.26Å; L630-M656 HydrophobicContact CD1-SD 4.48Å; I654-M656 HydrophobicContact CG2-CE 4.33Å; I654-M656 HydrophobicContact CG2-CG 4.43Å; M656-F701 HydrophobicContact CE-CZ 4.27Å; M656-F701 HydrophobicContact SD-CE1 4Å; M656-F701 HydrophobicContact SD-CE2 4.29Å; M656-F701 HydrophobicContact SD-CZ 3.36Å; M656-F701 WeakPolarHBondContact SD-CZ 2.97Å; M656-V705 HydrophobicContact CE-CG1 4.42Å; M656-V705 HydrophobicContact CE-CG2 3.84Å |
| 657 | T | 93.6 | Very high | 80.6 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 144.2 | 177.5 | 76.1 | 0 | 0 | 0 | 0 | 109.9 | F543 K551 L615 F616 D617 E618 I619 | F543-T657 HydrophobicContact CB-CG2 4.46Å; F543-T657 WeakPolarHBondContact O-CA 3.28Å; K551-T657 HydrophobicContact CB-CG2 4.24Å; L615-T657 HydrophobicContact CD1-CG2 3.57Å; F616-T657 PolarHBondContact O-N 2.82Å; D617-T657 VanDerWaalsContact CA-OG1 3.31Å; D617-T657 WeakPolarHBondContact CA-OG1 3.38Å; D617-T657 PolarHBondContact OD1-OG1 2.78Å; E618-T657 WeakPolarHBondContact CA-O 3.38Å; E618-T657 PolarHBondContact N-O 2.83Å; E618-T657 PolarHBondContact N-OG1 3.01Å; I619-T657 VanDerWaalsContact CG2-O 3.3Å; I619-T657 WeakPolarHBondContact CG2-O 3.46Å; I619-T657 PolarHBondContact N-O 3.26Å |
| 658 | S | 91 | Very high | 79 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 142.6 | 173.7 | -174.1 | 0 | 0 | 0 | 0 | 112.2 | F543 G545 K551 E620 V660 | F543-S658 PolarHBondContact O-N 2.77Å; G545-S658 PolarHBondContact N-O 3.39Å; K551-S658 PolarHBondContact NZ-O 2.89Å; E620-S658 WeakPolarHBondContact OE2-CA 3.35Å; E620-S658 WeakPolarHBondContact OE2-CB 3.5Å; E620-S658 PolarHBondContact OE2-OG 2.99Å; S658-V660 WeakPolarHBondContact OG-CB 3.43Å; S658-V660 WeakPolarHBondContact OG-CG2 3.39Å; S658-V660 PolarHBondContact OG-N 3.26Å |
| 659 | N | 86 | Confident | 77.3 | Confident | 36 Ų | 36 | 43.4 Ų | 43.4 | 19% | 0.193 | 21% | 0.206 | C | C | . | . | trans | -99.7 | 8.1 | 174.2 | -60.3 | -39.4 | 0 | 0 | 0 | 112.3 | G545 K551 E618 E620 G661 A662 | G545-N659 PolarHBondContact O-OD1 3.36Å; K551-N659 PolarHBondContact NZ-OD1 3.28Å; E618-N659 PolarHBondContact OE1-ND2 3.06Å; E620-N659 WeakPolarHBondContact OE1-CB 3.5Å; E620-N659 PolarHBondContact OE1-N 3.36Å; N659-G661 PolarHBondContact O-N 3.42Å; N659-A662 VanDerWaalsContact O-CB 3.26Å; N659-A662 WeakPolarHBondContact O-CB 3.47Å; N659-A662 PolarHBondContact O-N 2.83Å; N659-A662 VanDerWaalsContact O-N 3.17Å | ||
| 660 | V | 82.1 | Confident | 75.3 | Confident | 20 Ų | 20 | 52.5 Ų | 52.5 | 12% | 0.121 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 132.9 | -179.5 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | E620 S658 A662 E692 | E620-V660 HydrophobicContact CB-CG2 3.59Å; E620-V660 HydrophobicContact CG-CG2 3.84Å; S658-V660 WeakPolarHBondContact OG-CB 3.43Å; S658-V660 WeakPolarHBondContact OG-CG2 3.39Å; S658-V660 PolarHBondContact OG-N 3.26Å; V660-A662 VanDerWaalsContact C-N 3.31Å; V660-A662 PolarHBondContact O-N 3.31Å; V660-E692 HydrophobicContact CG1-CB 3.62Å |
| 661 | G | 71.5 | Confident | 73.3 | Confident | 12 Ų | 12 | 51.7 Ų | 51.7 | 12% | 0.124 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | -5.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | N659 L665 | N659-G661 PolarHBondContact O-N 3.42Å; G661-L665 VanDerWaalsContact O-CD1 3.3Å; G661-L665 WeakPolarHBondContact O-CD1 3.35Å; G661-L665 WeakPolarHBondContact O-CG 3.31Å |
| 662 | A | 70.7 | Confident | 71.5 | Confident | 17 Ų | 17 | 54.2 Ų | 54.2 | 14% | 0.14 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -33.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | P546 N659 V660 Q666 | P546-A662 HydrophobicContact CB-CB 4.33Å; N659-A662 VanDerWaalsContact O-CB 3.26Å; N659-A662 WeakPolarHBondContact O-CB 3.47Å; N659-A662 PolarHBondContact O-N 2.83Å; N659-A662 VanDerWaalsContact O-N 3.17Å; V660-A662 VanDerWaalsContact C-N 3.31Å; V660-A662 PolarHBondContact O-N 3.31Å; A662-Q666 PolarHBondContact O-N 3.14Å |
| 663 | Q | 65.5 | Low | 69.7 | Low | 154 Ų | 154 | 64.3 Ų | 64.3 | 72% | 0.72 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -44.9 | -179.7 | -73.4 | 179.4 | -20.8 | 0 | 0 | 112.8 | L665 Q666 D667 | Q663-L665 PolarHBondContact O-N 2.77Å; Q663-L665 VanDerWaalsContact O-N 3.15Å; Q663-Q666 WeakPolarHBondContact O-CB 3.37Å; Q663-Q666 PolarHBondContact O-N 3.49Å; Q663-D667 PolarHBondContact O-N 3.15Å |
| 664 | E | 63.8 | Low | 67.5 | Low | 87 Ų | 87 | 68.2 Ų | 68.2 | 41% | 0.407 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.7 | -30.7 | 177.8 | -76.9 | -171.3 | 139.6 | 0 | 0 | 112.5 | Q666 Q668 E692 | E664-Q666 VanDerWaalsContact C-N 3.33Å; E664-Q668 WeakPolarHBondContact O-CG 3.47Å; E664-Q668 PolarHBondContact O-N 3.47Å; E664-E692 WeakPolarHBondContact OE2-CG 3.37Å |
| 665 | L | 62.5 | Low | 65 | Low | 20 Ų | 20 | 71.5 Ų | 71.5 | 11% | 0.105 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -75.6 | -19.9 | 176.9 | -72.7 | 167.3 | 0 | 0 | 0 | 113.9 | G661 Q663 I685 M689 | G661-L665 VanDerWaalsContact O-CD1 3.3Å; G661-L665 WeakPolarHBondContact O-CD1 3.35Å; G661-L665 WeakPolarHBondContact O-CG 3.31Å; Q663-L665 PolarHBondContact O-N 2.77Å; Q663-L665 VanDerWaalsContact O-N 3.15Å; L665-I685 HydrophobicContact CD1-CB 4.43Å; L665-I685 HydrophobicContact CD1-CG1 4.34Å; L665-I685 HydrophobicContact CD1-CG2 3.68Å; L665-I685 HydrophobicContact CD2-CB 4.25Å; L665-I685 HydrophobicContact CD2-CG1 3.58Å; L665-I685 HydrophobicContact CD2-CG2 4.39Å; L665-M689 HydrophobicContact CD1-CE 3.31Å; L665-M689 HydrophobicContact CD1-CG 4.07Å |
| 666 | Q | 59 | Low | 62.3 | Low | 66 Ų | 66 | 77.3 Ų | 77.3 | 31% | 0.308 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -79.3 | -44.3 | 172.2 | -72.6 | 174.8 | -32.1 | 0 | 0 | 110.2 | A662 Q663 E664 Q668 R669 | A662-Q666 PolarHBondContact O-N 3.14Å; Q663-Q666 WeakPolarHBondContact O-CB 3.37Å; Q663-Q666 PolarHBondContact O-N 3.49Å; E664-Q666 VanDerWaalsContact C-N 3.33Å; Q666-Q668 PolarHBondContact O-N 2.97Å; Q666-R669 PolarHBondContact O-N 3.28Å |
| 667 | D | 53.1 | Low | 59.9 | Low | 119 Ų | 119 | 80.3 Ų | 80.3 | 64% | 0.636 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -67.7 | -33.4 | -176.6 | -71.6 | -20.5 | 0 | 0 | 0 | 113.2 | Q663 R669 F670 | Q663-D667 PolarHBondContact O-N 3.15Å; D667-R669 PolarHBondContact O-N 3.16Å; D667-R669 VanDerWaalsContact O-N 3.13Å; D667-F670 PolarHBondContact O-N 3.33Å |
| 668 | Q | 51.4 | Low | 58 | Low | 116 Ų | 116 | 87.8 Ų | 87.8 | 54% | 0.542 | 51% | 0.51 | S | S | . | . | G | 310 helix | trans | -62.9 | -20.2 | 179.6 | -77.3 | 178.8 | 7.8 | 0 | 0 | 114 | E664 Q666 | E664-Q668 WeakPolarHBondContact O-CG 3.47Å; E664-Q668 PolarHBondContact O-N 3.47Å; Q666-Q668 PolarHBondContact O-N 2.97Å |
| 669 | R | 49.8 | Very low | 56.1 | Low | 150 Ų | 150 | 90.7 Ų | 90.7 | 57% | 0.566 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -79.7 | -15.2 | 179.9 | -73 | -171.5 | 175.8 | -170.6 | -5 | 114.6 | Q666 D667 A671 D681 | Q666-R669 PolarHBondContact O-N 3.28Å; D667-R669 PolarHBondContact O-N 3.16Å; D667-R669 VanDerWaalsContact O-N 3.13Å; R669-A671 VanDerWaalsContact C-N 3.31Å; R669-D681 IonicContact NH2-OD2 3.4Å |
| 670 | F | 47.5 | Very low | 54.3 | Low | 191 Ų | 191 | 95.9 Ų | 95.9 | 84% | 0.838 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -80 | -11.2 | 177.3 | -79.6 | -82.1 | 0 | 0 | 0 | 113.6 | D667 G672 | D667-F670 PolarHBondContact O-N 3.33Å; F670-G672 PolarHBondContact O-N 2.93Å |
| 671 | A | 43.8 | Very low | 53.6 | Low | 76 Ų | 76 | 98.5 Ų | 98.5 | 63% | 0.628 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -89.1 | 96.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | R669 F673 | R669-A671 VanDerWaalsContact C-N 3.31Å; A671-F673 VanDerWaalsContact C-N 3.33Å; A671-F673 PolarHBondContact O-N 3.47Å |
| 672 | G | 43.4 | Very low | 53.6 | Low | 73 Ų | 73 | 100.6 Ų | 100.6 | 75% | 0.753 | 58% | 0.582 | S | S | * | * | trans | -67.1 | 59.8 | -166.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | F670 | F670-G672 PolarHBondContact O-N 2.93Š| ||
| 673 | F | 51.9 | Low | 53.9 | Low | 211 Ų | 211 | 105.5 Ų | 105.5 | 93% | 0.925 | 60% | 0.602 | S | S | * | * | trans | -140.9 | 88.2 | 172 | -78.3 | -87.3 | 0 | 0 | 0 | 111.5 | A671 | A671-F673 VanDerWaalsContact C-N 3.33Å; A671-F673 PolarHBondContact O-N 3.47Å | ||
| 674 | G | 47.2 | Very low | 54.5 | Low | 82 Ų | 82 | 101.8 Ų | 101.8 | 85% | 0.845 | 59% | 0.59 | S | S | * | * | trans | 175.5 | 89 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 675 | G | 42 | Very low | 55.1 | Low | 71 Ų | 71 | 99.1 Ų | 99.1 | 73% | 0.732 | 58% | 0.578 | S | S | * | * | trans | -80.1 | 119.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 676 | S | 37.8 | Very low | 56 | Low | 122 Ų | 122 | 103.6 Ų | 103.6 | 85% | 0.853 | 59% | 0.593 | S | S | * | * | trans | 44.8 | 77.5 | 138.8 | -36.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 677 | S | 44.4 | Very low | 57.2 | Low | 63 Ų | 63 | 107 Ų | 107 | 44% | 0.441 | 61% | 0.607 | S | S | . | * | trans | -142.4 | 88.8 | 152.1 | 49.4 | 0 | 0 | 0 | 0 | 110.2 | G679 Q680 | S677-G679 PolarHBondContact O-N 3.39Å; S677-Q680 PolarHBondContact O-N 3.2Å; S677-Q680 VanDerWaalsContact O-N 3.08Å; S677-Q680 PolarHBondContact OG-OE1 2.94Å | ||
| 678 | D | 52.8 | Low | 58.6 | Low | 157 Ų | 157 | 102.6 Ų | 102.6 | 84% | 0.84 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -51.3 | -24.5 | -172.6 | -73.4 | -34.2 | 0 | 0 | 0 | 115 | ||
| 679 | G | 51.9 | Low | 60.1 | Low | 62 Ų | 62 | 97.2 Ų | 97.2 | 64% | 0.639 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -82.1 | -30.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116 | S677 D681 | S677-G679 PolarHBondContact O-N 3.39Å; G679-D681 VanDerWaalsContact C-N 3.33Å |
| 680 | Q | 49.3 | Very low | 61.9 | Low | 144 Ų | 144 | 92.2 Ų | 92.2 | 67% | 0.673 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -78.1 | -22.8 | 179.9 | -83.1 | 179 | -10.8 | 0 | 0 | 112.4 | S677 T684 | S677-Q680 PolarHBondContact O-N 3.2Å; S677-Q680 VanDerWaalsContact O-N 3.08Å; S677-Q680 PolarHBondContact OG-OE1 2.94Å; Q680-T684 PolarHBondContact O-OG1 2.63Å |
| 681 | D | 67.1 | Low | 63.7 | Low | 75 Ų | 75 | 89.5 Ų | 89.5 | 40% | 0.401 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.3 | -41.2 | 179.1 | -138.4 | 15.4 | 0 | 0 | 0 | 110.3 | R669 G679 T684 I685 | R669-D681 IonicContact NH2-OD2 3.4Å; G679-D681 VanDerWaalsContact C-N 3.33Å; D681-T684 PolarHBondContact O-N 3.12Å; D681-I685 HydrophobicContact CB-CD1 4.22Å; D681-I685 VanDerWaalsContact O-CB 3.29Å; D681-I685 WeakPolarHBondContact O-CB 3.32Å; D681-I685 VanDerWaalsContact O-CD1 3.29Å; D681-I685 WeakPolarHBondContact O-CD1 3.48Å; D681-I685 WeakPolarHBondContact O-CG1 3.01Å; D681-I685 PolarHBondContact O-N 3.47Å |
| 682 | Y | 71.9 | Confident | 65.7 | Low | 57 Ų | 57 | 87.9 Ų | 87.9 | 22% | 0.224 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -65.4 | -46.7 | -176 | -178.6 | -110.6 | 0 | 0 | 0 | 114.3 | D515 T684 I685 R686 V710 H712 | D515-Y682 PolarHBondContact OD2-OH 3.49Å; Y682-T684 VanDerWaalsContact C-N 3.25Å; Y682-T684 PolarHBondContact O-N 3.47Å; Y682-I685 PolarHBondContact O-N 3.25Å; Y682-R686 VanDerWaalsContact O-CB 3.23Å; Y682-R686 WeakPolarHBondContact O-CB 3.46Å; Y682-R686 PolarHBondContact O-N 2.86Å; Y682-V710 HydrophobicContact CE2-CG1 4.46Å; Y682-V710 PolarHBondContact OH-O 3.12Å; Y682-H712 HydrophobicContact CD2-CB 4.17Å; Y682-H712 HydrophobicContact CE2-CB 3.98Å |
| 683 | E | 76.6 | Confident | 67.8 | Low | 120 Ų | 120 | 84.4 Ų | 84.4 | 56% | 0.561 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.2 | -36.4 | 177.7 | -79.2 | -163.1 | -177.1 | 0 | 0 | 112.1 | K687 | E683-K687 WeakPolarHBondContact O-CB 3.47Å; E683-K687 VanDerWaalsContact O-CG 3.27Å; E683-K687 WeakPolarHBondContact O-CG 3.39Å; E683-K687 PolarHBondContact O-N 2.75Å; E683-K687 IonicContact OE2-NZ 3.67Å |
| 684 | T | 77.3 | Confident | 69.5 | Low | 76 Ų | 76 | 81.2 Ų | 81.2 | 47% | 0.466 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -68.8 | -48.2 | 178.1 | -52.5 | 0 | 0 | 0 | 0 | 110.1 | Q680 D681 Y682 R686 K687 T688 | Q680-T684 PolarHBondContact O-OG1 2.63Å; D681-T684 PolarHBondContact O-N 3.12Å; Y682-T684 VanDerWaalsContact C-N 3.25Å; Y682-T684 PolarHBondContact O-N 3.47Å; T684-R686 VanDerWaalsContact C-N 3.34Å; T684-R686 PolarHBondContact O-N 2.92Å; T684-K687 PolarHBondContact O-N 2.74Å; T684-T688 PolarHBondContact O-N 2.85Å; T684-T688 PolarHBondContact O-OG1 3.14Å |
| 685 | I | 75.8 | Confident | 71.3 | Confident | 31 Ų | 31 | 82.4 Ų | 82.4 | 16% | 0.159 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -53.7 | -50 | 172.9 | -72.7 | 162.6 | 0 | 0 | 0 | 110.8 | L665 D681 Y682 K687 T688 M689 | L665-I685 HydrophobicContact CD1-CB 4.43Å; L665-I685 HydrophobicContact CD1-CG1 4.34Å; L665-I685 HydrophobicContact CD1-CG2 3.68Å; L665-I685 HydrophobicContact CD2-CB 4.25Å; L665-I685 HydrophobicContact CD2-CG1 3.58Å; L665-I685 HydrophobicContact CD2-CG2 4.39Å; D681-I685 HydrophobicContact CB-CD1 4.22Å; D681-I685 VanDerWaalsContact O-CB 3.29Å; D681-I685 WeakPolarHBondContact O-CB 3.32Å; D681-I685 VanDerWaalsContact O-CD1 3.29Å; D681-I685 WeakPolarHBondContact O-CD1 3.48Å; D681-I685 WeakPolarHBondContact O-CG1 3.01Å; D681-I685 PolarHBondContact O-N 3.47Å; Y682-I685 PolarHBondContact O-N 3.25Å; I685-K687 PolarHBondContact O-N 2.67Å; I685-T688 PolarHBondContact O-N 2.72Å; I685-M689 HydrophobicContact CG2-CE 3.98Å; I685-M689 HydrophobicContact CG2-CG 4.47Å; I685-M689 HydrophobicContact CG2-SD 4.32Å; I685-M689 WeakPolarHBondContact O-CG 3.45Å; I685-M689 PolarHBondContact O-N 3.47Å |
| 686 | R | 81.3 | Confident | 73.3 | Confident | 114 Ų | 114 | 82.2 Ų | 82.2 | 43% | 0.43 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -59.9 | -45.4 | 179.6 | -179.5 | 176.7 | -177.7 | -171.7 | 3.6 | 111.4 | Y682 T684 L690 V710 | Y682-R686 VanDerWaalsContact O-CB 3.23Å; Y682-R686 WeakPolarHBondContact O-CB 3.46Å; Y682-R686 PolarHBondContact O-N 2.86Å; T684-R686 VanDerWaalsContact C-N 3.34Å; T684-R686 PolarHBondContact O-N 2.92Å; R686-L690 HydrophobicContact CG-CD1 3.9Å; R686-L690 HydrophobicContact CG-CG 4.43Å; R686-L690 WeakPolarHBondContact O-CB 3.49Å; R686-L690 WeakPolarHBondContact O-CG 3.33Å; R686-L690 PolarHBondContact O-N 2.97Å; R686-V710 HydrophobicContact CG-CG2 4.13Å |
| 687 | K | 84.1 | Confident | 75.7 | Confident | 136 Ų | 136 | 76.9 Ų | 76.9 | 59% | 0.591 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -62.9 | -41.9 | 177.6 | -77.2 | 169.6 | -174 | 161 | 0 | 111.7 | E683 T684 I685 K691 | E683-K687 WeakPolarHBondContact O-CB 3.47Å; E683-K687 VanDerWaalsContact O-CG 3.27Å; E683-K687 WeakPolarHBondContact O-CG 3.39Å; E683-K687 PolarHBondContact O-N 2.75Å; E683-K687 IonicContact OE2-NZ 3.67Å; T684-K687 PolarHBondContact O-N 2.74Å; I685-K687 PolarHBondContact O-N 2.67Å; K687-K691 WeakPolarHBondContact O-CB 3.45Å; K687-K691 PolarHBondContact O-N 2.87Å |
| 688 | T | 83.6 | Confident | 77.7 | Confident | 27 Ų | 27 | 81.1 Ų | 81.1 | 17% | 0.166 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.2 | -50.7 | 177.2 | -56.2 | 0 | 0 | 0 | 0 | 111.1 | T684 I685 L690 K691 E692 | T684-T688 PolarHBondContact O-N 2.85Å; T684-T688 PolarHBondContact O-OG1 3.14Å; I685-T688 PolarHBondContact O-N 2.72Å; T688-L690 PolarHBondContact O-N 3Å; T688-K691 WeakPolarHBondContact O-CB 3.13Å; T688-K691 PolarHBondContact O-N 3.28Å; T688-K691 VanDerWaalsContact O-N 3.12Å; T688-E692 PolarHBondContact O-N 3.04Å |
| 689 | M | 83.8 | Confident | 79.3 | Confident | 4 Ų | 4 | 78 Ų | 78 | 2% | 0.02 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.6 | -42.4 | 178.1 | -71.5 | -169 | 178.6 | 0 | 0 | 112.5 | L544 L665 I685 K691 E692 L693 V710 | L544-M689 HydrophobicContact CB-SD 4.3Å; L544-M689 HydrophobicContact CD1-CB 4.34Å; L665-M689 HydrophobicContact CD1-CE 3.31Å; L665-M689 HydrophobicContact CD1-CG 4.07Å; I685-M689 HydrophobicContact CG2-CE 3.98Å; I685-M689 HydrophobicContact CG2-CG 4.47Å; I685-M689 HydrophobicContact CG2-SD 4.32Å; I685-M689 WeakPolarHBondContact O-CG 3.45Å; I685-M689 PolarHBondContact O-N 3.47Å; M689-K691 VanDerWaalsContact C-N 3.3Å; M689-K691 PolarHBondContact O-N 3.14Å; M689-E692 PolarHBondContact O-N 2.93Å; M689-L693 WeakPolarHBondContact O-CB 3.3Å; M689-L693 PolarHBondContact O-N 2.61Å; M689-V710 HydrophobicContact SD-CG1 3.78Å |
| 690 | L | 85.7 | Confident | 81 | Confident | 45 Ų | 45 | 80.6 Ų | 80.6 | 24% | 0.236 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66.1 | -33.3 | 177 | -73.6 | 173.5 | 0 | 0 | 0 | 112.5 | L544 R686 T688 K694 I708 | L544-L690 HydrophobicContact CD1-CD2 4.45Å; R686-L690 HydrophobicContact CG-CD1 3.9Å; R686-L690 HydrophobicContact CG-CG 4.43Å; R686-L690 WeakPolarHBondContact O-CB 3.49Å; R686-L690 WeakPolarHBondContact O-CG 3.33Å; R686-L690 PolarHBondContact O-N 2.97Å; T688-L690 PolarHBondContact O-N 3Å; L690-K694 VanDerWaalsContact O-CG 3.28Å; L690-K694 WeakPolarHBondContact O-CG 3.31Å; L690-K694 PolarHBondContact O-N 3.45Å; L690-K694 VanDerWaalsContact O-N 3.11Å; L690-I708 HydrophobicContact CD2-CB 4.4Å; L690-I708 HydrophobicContact CD2-CD1 4.48Å; L690-I708 HydrophobicContact CD2-CG2 3.81Å |
| 691 | K | 86.9 | Confident | 82.9 | Confident | 133 Ų | 133 | 74 Ų | 74 | 58% | 0.578 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -67.7 | -47.2 | 175 | -174.2 | -173.5 | 175 | -162.3 | 0 | 110.6 | K687 T688 M689 L693 K694 N695 | K687-K691 WeakPolarHBondContact O-CB 3.45Å; K687-K691 PolarHBondContact O-N 2.87Å; T688-K691 WeakPolarHBondContact O-CB 3.13Å; T688-K691 PolarHBondContact O-N 3.28Å; T688-K691 VanDerWaalsContact O-N 3.12Å; M689-K691 VanDerWaalsContact C-N 3.3Å; M689-K691 PolarHBondContact O-N 3.14Å; K691-L693 PolarHBondContact O-N 3.37Å; K691-K694 PolarHBondContact O-N 3.12Å; K691-K694 VanDerWaalsContact O-N 3.17Å; K691-N695 VanDerWaalsContact O-CG 3.3Å; K691-N695 PolarHBondContact O-N 2.67Å; K691-N695 PolarHBondContact O-ND2 2.72Å |
| 692 | E | 85.5 | Confident | 84 | Confident | 42 Ų | 42 | 71.3 Ų | 71.3 | 20% | 0.196 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.5 | -36.1 | 178.3 | -69.3 | -48 | 119.1 | 0 | 0 | 112.8 | V660 E664 T688 M689 K694 N695 S696 | V660-E692 HydrophobicContact CG1-CB 3.62Å; E664-E692 WeakPolarHBondContact OE2-CG 3.37Å; T688-E692 PolarHBondContact O-N 3.04Å; M689-E692 PolarHBondContact O-N 2.93Å; E692-K694 PolarHBondContact O-N 2.97Å; E692-N695 PolarHBondContact O-N 3.02Å; E692-N695 PolarHBondContact OE1-ND2 3.09Å; E692-S696 WeakPolarHBondContact O-CB 3.39Å; E692-S696 PolarHBondContact O-N 3.2Å; E692-S696 PolarHBondContact O-OG 3.23Å |
| 693 | L | 87.3 | Confident | 84.8 | Confident | 1 Ų | 1 | 74.8 Ų | 74.8 | 1% | 0.005 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.5 | -45.9 | 170.7 | -173.8 | 83.1 | 0 | 0 | 0 | 111 | I542 L544 M689 K691 N695 S696 F697 L702 I708 | I542-L693 HydrophobicContact CG2-CD1 4.16Å; L544-L693 HydrophobicContact CD1-CB 4.24Å; L544-L693 HydrophobicContact CD1-CD1 4.34Å; L544-L693 HydrophobicContact CD1-CD2 4.08Å; L544-L693 HydrophobicContact CD1-CG 4.45Å; L544-L693 HydrophobicContact CD2-CD1 3.91Å; L544-L693 HydrophobicContact CG-CD1 4.41Å; M689-L693 WeakPolarHBondContact O-CB 3.3Å; M689-L693 PolarHBondContact O-N 2.61Å; K691-L693 PolarHBondContact O-N 3.37Å; L693-N695 VanDerWaalsContact C-N 3.27Å; L693-N695 PolarHBondContact O-N 2.82Å; L693-S696 PolarHBondContact O-N 3.23Å; L693-F697 HydrophobicContact CD1-CD2 3.39Å; L693-F697 HydrophobicContact CD1-CE2 3.48Å; L693-F697 VanDerWaalsContact CD1-CE2 3.48Å; L693-F697 HydrophobicContact CG-CD2 3.89Å; L693-F697 HydrophobicContact CG-CE2 4.44Å; L693-F697 WeakPolarHBondContact O-CD2 3.37Å; L693-F697 PolarHBondContact O-N 3Å; L693-L702 HydrophobicContact CD2-CD1 4.46Å; L693-L702 HydrophobicContact CD2-CD2 3.66Å; L693-L702 HydrophobicContact CG-CD2 4.06Å; L693-I708 HydrophobicContact CD2-CD1 3.72Å; L693-I708 HydrophobicContact CD2-CG1 4.33Å; L693-I708 HydrophobicContact CD2-CG2 3.94Å |
| 694 | K | 86.8 | Confident | 85.4 | Confident | 144 Ų | 144 | 74.1 Ų | 74.1 | 63% | 0.626 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -66 | -27 | 177.7 | -74.4 | 177.7 | -174.7 | -173.8 | 0 | 113.6 | L690 K691 E692 L702 | L690-K694 VanDerWaalsContact O-CG 3.28Å; L690-K694 WeakPolarHBondContact O-CG 3.31Å; L690-K694 PolarHBondContact O-N 3.45Å; L690-K694 VanDerWaalsContact O-N 3.11Å; K691-K694 PolarHBondContact O-N 3.12Å; K691-K694 VanDerWaalsContact O-N 3.17Å; E692-K694 PolarHBondContact O-N 2.97Å; K694-L702 HydrophobicContact CG-CD1 3.93Å |
| 695 | N | 86.2 | Confident | 86 | Confident | 107 Ų | 107 | 71.3 Ų | 71.3 | 57% | 0.572 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -74.9 | -35.4 | 173.6 | -65.5 | -21.7 | 0 | 0 | 0 | 111.5 | K691 E692 L693 | K691-N695 VanDerWaalsContact O-CG 3.3Å; K691-N695 PolarHBondContact O-N 2.67Å; K691-N695 PolarHBondContact O-ND2 2.72Å; E692-N695 PolarHBondContact O-N 3.02Å; E692-N695 PolarHBondContact OE1-ND2 3.09Å; L693-N695 VanDerWaalsContact C-N 3.27Å; L693-N695 PolarHBondContact O-N 2.82Å |
| 696 | S | 84.2 | Confident | 86.6 | Confident | 66 Ų | 66 | 72.1 Ų | 72.1 | 46% | 0.462 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -82.6 | -36.2 | -175.5 | -56.8 | 0 | 0 | 0 | 0 | 113.1 | E692 L693 | E692-S696 WeakPolarHBondContact O-CB 3.39Å; E692-S696 PolarHBondContact O-N 3.2Å; E692-S696 PolarHBondContact O-OG 3.23Å; L693-S696 PolarHBondContact O-N 3.23Å |
| 697 | F | 86.7 | Confident | 87.1 | Confident | 10 Ų | 10 | 69.9 Ų | 69.9 | 4% | 0.044 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -114.6 | 144.7 | -175.3 | -61.6 | -82.6 | 0 | 0 | 0 | 112.1 | I619 E620 F627 L693 F701 L702 | I619-F697 HydrophobicContact CG1-CE1 4.28Å; I619-F697 HydrophobicContact CG2-CE1 4.15Å; I619-F697 HydrophobicContact CG2-CZ 3.68Å; E620-F697 HydrophobicContact CB-CZ 4.11Å; F627-F697 HydrophobicContact CE1-CD1 4.09Å; F627-F697 AromaticContact CE1-CE1 3.67Å; F627-F697 HydrophobicContact CE1-CE1 3.67Å; F627-F697 HydrophobicContact CE2-CD1 4.49Å; F627-F697 HydrophobicContact CE2-CE1 4.43Å; F627-F697 HydrophobicContact CZ-CD1 4.05Å; F627-F697 AromaticContact CZ-CE1 3.61Å; F627-F697 HydrophobicContact CZ-CE1 3.61Å; L693-F697 HydrophobicContact CD1-CD2 3.39Å; L693-F697 HydrophobicContact CD1-CE2 3.48Å; L693-F697 VanDerWaalsContact CD1-CE2 3.48Å; L693-F697 HydrophobicContact CG-CD2 3.89Å; L693-F697 HydrophobicContact CG-CE2 4.44Å; L693-F697 WeakPolarHBondContact O-CD2 3.37Å; L693-F697 PolarHBondContact O-N 3Å; F697-F701 HydrophobicContact CB-CD1 4.42Å; F697-F701 HydrophobicContact CD1-CD1 4.18Å; F697-F701 HydrophobicContact CD1-CE1 4.22Å; F697-L702 HydrophobicContact CB-CD1 4.49Å; F697-L702 HydrophobicContact CB-CD2 4.07Å; F697-L702 HydrophobicContact CB-CG 4.2Å |
| 698 | R | 86.7 | Confident | 87.4 | Confident | 152 Ų | 152 | 65.2 Ų | 65.2 | 57% | 0.574 | 32% | 0.321 | S | S | * | . | trans | -65.7 | 141.7 | 176.2 | -62.9 | -177.6 | -175.3 | -179.7 | 3.6 | 110.5 | E700 F701 L702 | R698-E700 PolarHBondContact O-N 3.3Å; R698-E700 VanDerWaalsContact O-N 3.15Å; R698-F701 WeakPolarHBondContact O-CB 3.36Å; R698-F701 PolarHBondContact O-N 3.37Å; R698-F701 VanDerWaalsContact O-N 3.08Å; R698-L702 PolarHBondContact O-N 3.02Å | ||
| 699 | P | 86.2 | Confident | 87.7 | Confident | 91 Ų | 91 | 64.3 Ų | 64.3 | 59% | 0.591 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -55.9 | -32.7 | 176.5 | -26.4 | 34.1 | 0 | 0 | 0 | 113.9 | F701 L702 N703 | P699-F701 VanDerWaalsContact C-N 3.28Å; P699-F701 PolarHBondContact O-N 3.37Å; P699-L702 PolarHBondContact O-N 3.42Å; P699-N703 WeakPolarHBondContact O-CB 3.48Å; P699-N703 PolarHBondContact O-N 3.27Å; P699-N703 PolarHBondContact O-ND2 3.16Å |
| 700 | E | 88.2 | Confident | 87.9 | Confident | 118 Ų | 118 | 64.5 Ų | 64.5 | 55% | 0.551 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -54.8 | -43.8 | 176.7 | -66 | 164.9 | 170.4 | 0 | 0 | 111.9 | R698 R704 | R698-E700 PolarHBondContact O-N 3.3Å; R698-E700 VanDerWaalsContact O-N 3.15Å; E700-R704 WeakPolarHBondContact O-CG 3.18Å |
| 701 | F | 89.3 | Confident | 88 | Confident | 4 Ų | 4 | 62.5 Ų | 62.5 | 2% | 0.018 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -70.6 | -46.7 | 179 | -179 | -106.9 | 0 | 0 | 0 | 111.7 | I542 F627 L630 L631 L634 M656 F697 R698 P699 N703 R704 | I542-F701 HydrophobicContact CD1-CE1 4.22Å; F627-F701 HydrophobicContact CB-CD2 4.29Å; F627-F701 HydrophobicContact CB-CE2 4.47Å; F627-F701 HydrophobicContact CD1-CE2 4.22Å; F627-F701 HydrophobicContact CD1-CZ 4.11Å; L630-F701 HydrophobicContact CB-CE2 3.92Å; L630-F701 HydrophobicContact CD1-CE2 4.23Å; L630-F701 HydrophobicContact CD1-CZ 4.29Å; L631-F701 HydrophobicContact CD2-CD2 4.34Å; L631-F701 HydrophobicContact CG-CD2 4.35Å; L634-F701 HydrophobicContact CD1-CD2 4.33Å; L634-F701 HydrophobicContact CD1-CE2 3.94Å; M656-F701 HydrophobicContact CE-CZ 4.27Å; M656-F701 HydrophobicContact SD-CE1 4Å; M656-F701 HydrophobicContact SD-CE2 4.29Å; M656-F701 HydrophobicContact SD-CZ 3.36Å; M656-F701 WeakPolarHBondContact SD-CZ 2.97Å; F697-F701 HydrophobicContact CB-CD1 4.42Å; F697-F701 HydrophobicContact CD1-CD1 4.18Å; F697-F701 HydrophobicContact CD1-CE1 4.22Å; R698-F701 WeakPolarHBondContact O-CB 3.36Å; R698-F701 PolarHBondContact O-N 3.37Å; R698-F701 VanDerWaalsContact O-N 3.08Å; P699-F701 VanDerWaalsContact C-N 3.28Å; P699-F701 PolarHBondContact O-N 3.37Å; F701-N703 PolarHBondContact O-N 3.4Å; F701-R704 PolarHBondContact O-N 3.45Å |
| 702 | L | 89.7 | Confident | 87.8 | Confident | 20 Ų | 20 | 58.5 Ų | 58.5 | 11% | 0.105 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.2 | -33.7 | -179 | -62.9 | 179.4 | 0 | 0 | 0 | 112.5 | I542 L693 K694 F697 R698 P699 R704 V705 I708 | I542-L702 HydrophobicContact CD1-CD2 3.74Å; L693-L702 HydrophobicContact CD2-CD1 4.46Å; L693-L702 HydrophobicContact CD2-CD2 3.66Å; L693-L702 HydrophobicContact CG-CD2 4.06Å; K694-L702 HydrophobicContact CG-CD1 3.93Å; F697-L702 HydrophobicContact CB-CD1 4.49Å; F697-L702 HydrophobicContact CB-CD2 4.07Å; F697-L702 HydrophobicContact CB-CG 4.2Å; R698-L702 PolarHBondContact O-N 3.02Å; P699-L702 PolarHBondContact O-N 3.42Å; L702-R704 PolarHBondContact O-N 2.87Å; L702-V705 PolarHBondContact O-N 2.95Å; L702-I708 HydrophobicContact CD2-CD1 4.34Å |
| 703 | N | 89.5 | Confident | 87.6 | Confident | 130 Ų | 130 | 59.6 Ų | 59.6 | 70% | 0.695 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -14.2 | 178.4 | -70.4 | -21.9 | 0 | 0 | 0 | 114 | P699 F701 | P699-N703 WeakPolarHBondContact O-CB 3.48Å; P699-N703 PolarHBondContact O-N 3.27Å; P699-N703 PolarHBondContact O-ND2 3.16Å; F701-N703 PolarHBondContact O-N 3.4Å |
| 704 | R | 88.8 | Confident | 87.4 | Confident | 106 Ų | 106 | 60 Ų | 60 | 40% | 0.4 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -6.7 | 177.6 | -55.6 | -42.2 | -166.3 | 141.4 | 3.6 | 113.5 | R536 S540 L631 L634 D635 E700 F701 L702 | R536-R704 PolarHBondContact NH2-O 3.34Å; S540-R704 PolarHBondContact OG-O 3.44Å; L631-R704 HydrophobicContact CD2-CB 4.48Å; L631-R704 HydrophobicContact CD2-CG 3.68Å; L634-R704 HydrophobicContact CB-CB 3.9Å; L634-R704 HydrophobicContact CD1-CB 4.11Å; D635-R704 VanDerWaalsContact CG-NH1 3.34Å; D635-R704 WeakPolarHBondContact OD1-CD 3.5Å; D635-R704 WeakPolarHBondContact OD1-CG 3.46Å; D635-R704 IonicContact OD1-CZ 2.82Å; D635-R704 IonicContact OD1-NE 2.67Å; D635-R704 PolarHBondContact OD1-NE 3.42Å; D635-R704 IonicContact OD1-NH1 3.12Å; D635-R704 PolarHBondContact OD1-NH1 2.86Å; D635-R704 IonicContact OD1-NH2 3.45Å; D635-R704 IonicContact OD2-CZ 3.37Å; D635-R704 IonicContact OD2-NE 3.54Å; D635-R704 PolarHBondContact OD2-NE 3.34Å; D635-R704 VanDerWaalsContact OD2-NE 3.12Å; D635-R704 IonicContact OD2-NH1 3.99Å; D635-R704 PolarHBondContact OD2-NH1 3.25Å; D635-R704 IonicContact OD2-NH2 3.75Å; D635-R704 PolarHBondContact OD2-NH2 3.49Å; E700-R704 WeakPolarHBondContact O-CG 3.18Å; F701-R704 PolarHBondContact O-N 3.45Å; L702-R704 PolarHBondContact O-N 2.87Å |
| 705 | V | 90.1 | Very high | 87.2 | Confident | 16 Ų | 16 | 56.3 Ų | 56.3 | 10% | 0.097 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -86.9 | 136 | 176.8 | -174 | 0 | 0 | 0 | 0 | 109 | S540 I542 M656 L702 D707 | S540-V705 VanDerWaalsContact O-CG1 3.23Å; S540-V705 WeakPolarHBondContact O-CG1 3.38Å; S540-V705 WeakPolarHBondContact OG-CA 3.41Å; I542-V705 HydrophobicContact CD1-CB 4.48Å; I542-V705 HydrophobicContact CD1-CG1 4.34Å; I542-V705 HydrophobicContact CD1-CG2 3.83Å; I542-V705 HydrophobicContact CG1-CG1 4Å; I542-V705 HydrophobicContact CG1-CG2 4.13Å; M656-V705 HydrophobicContact CE-CG1 4.42Å; M656-V705 HydrophobicContact CE-CG2 3.84Å; L702-V705 PolarHBondContact O-N 2.95Å; V705-D707 VanDerWaalsContact CG1-O 3.26Å; V705-D707 WeakPolarHBondContact CG1-O 3.39Å |
| 706 | D | 88.7 | Confident | 87 | Confident | 48 Ų | 48 | 58.9 Ų | 58.9 | 26% | 0.257 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -70.8 | -37.7 | -179 | -67 | -39.5 | 0 | 0 | 0 | 112.3 | K532 R536 G539 S540 | K532-D706 IonicContact NZ-OD1 2.79Å; K532-D706 IonicContact NZ-OD2 3.8Å; K532-D706 PolarHBondContact NZ-OD2 2.89Å; R536-D706 IonicContact NH1-OD1 2.92Å; R536-D706 IonicContact NH2-OD1 2.76Å; G539-D706 WeakPolarHBondContact CA-OD2 3.48Å; S540-D706 PolarHBondContact N-OD2 2.84Å; S540-D706 WeakPolarHBondContact O-CB 3.38Å; S540-D706 PolarHBondContact O-N 3.28Å; S540-D706 PolarHBondContact OG-N 3.15Å |
| 707 | D | 90.4 | Very high | 87.1 | Confident | 68 Ų | 68 | 63.2 Ų | 63.2 | 36% | 0.364 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 152.9 | 174.1 | -154 | -2.6 | 0 | 0 | 0 | 113.4 | S519 S540 F541 I542 V705 | S519-D707 WeakPolarHBondContact CB-OD2 3.47Å; S519-D707 PolarHBondContact OG-OD2 3.23Å; S540-D707 PolarHBondContact O-N 3.06Å; F541-D707 WeakPolarHBondContact CA-O 3.5Å; F541-D707 HydrophobicContact CD1-CB 4.17Å; I542-D707 PolarHBondContact N-O 2.94Å; V705-D707 VanDerWaalsContact CG1-O 3.26Å; V705-D707 WeakPolarHBondContact CG1-O 3.39Å |
| 708 | I | 90.8 | Very high | 87.1 | Confident | 38 Ų | 38 | 64.1 Ų | 64.1 | 20% | 0.195 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 111.2 | 174.2 | -59.4 | 165.8 | 0 | 0 | 0 | 107.9 | I542 L544 L690 L693 L702 | I542-I708 HydrophobicContact CB-CG1 4.39Å; I542-I708 HydrophobicContact CB-CG2 4.4Å; I542-I708 HydrophobicContact CD1-CG1 4.47Å; I542-I708 HydrophobicContact CG2-CG2 4.49Å; L544-I708 HydrophobicContact CD1-CG2 3.7Å; L544-I708 HydrophobicContact CG-CG2 4.41Å; L690-I708 HydrophobicContact CD2-CB 4.4Å; L690-I708 HydrophobicContact CD2-CD1 4.48Å; L690-I708 HydrophobicContact CD2-CG2 3.81Å; L693-I708 HydrophobicContact CD2-CD1 3.72Å; L693-I708 HydrophobicContact CD2-CG1 4.33Å; L693-I708 HydrophobicContact CD2-CG2 3.94Å; L702-I708 HydrophobicContact CD2-CD1 4.34Å |
| 709 | I | 90.1 | Very high | 87 | Confident | 8 Ų | 8 | 57 Ų | 57 | 4% | 0.041 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 124.8 | -173.1 | -55.5 | -172.3 | 0 | 0 | 0 | 109.4 | A516 I520 F541 I542 F543 L544 F711 | A516-I709 HydrophobicContact CB-CG2 3.34Å; I520-I709 HydrophobicContact CD1-CD1 4.26Å; I520-I709 HydrophobicContact CG1-CD1 3.8Å; F541-I709 HydrophobicContact CD1-CD1 4.03Å; F541-I709 HydrophobicContact CG-CD1 4.47Å; I542-I709 PolarHBondContact O-N 2.96Å; F543-I709 WeakPolarHBondContact CA-O 3.48Å; F543-I709 HydrophobicContact CD1-CB 3.98Å; F543-I709 HydrophobicContact CD1-CD1 4.18Å; F543-I709 HydrophobicContact CD1-CG1 4.36Å; F543-I709 HydrophobicContact CE1-CB 4.38Å; F543-I709 HydrophobicContact CE1-CD1 3.7Å; F543-I709 HydrophobicContact CE1-CG1 4.35Å; L544-I709 PolarHBondContact N-O 3.21Å; I709-F711 HydrophobicContact CB-CE2 4.49Å; I709-F711 HydrophobicContact CG2-CD2 4.15Å; I709-F711 HydrophobicContact CG2-CE2 3.82Å |
| 710 | V | 88.5 | Confident | 87.1 | Confident | 8 Ų | 8 | 55.4 Ų | 55.4 | 5% | 0.048 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 118.3 | 177.4 | -179.2 | 0 | 0 | 0 | 0 | 109.1 | L544 Y682 R686 M689 | L544-V710 HydrophobicContact CB-CG2 4.24Å; L544-V710 HydrophobicContact CD1-CG2 4.22Å; Y682-V710 HydrophobicContact CE2-CG1 4.46Å; Y682-V710 PolarHBondContact OH-O 3.12Å; R686-V710 HydrophobicContact CG-CG2 4.13Å; M689-V710 HydrophobicContact SD-CG1 3.78Å |
| 711 | F | 88.4 | Confident | 87.1 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 1% | 0.013 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -83.6 | 129.5 | 176.2 | -75 | -114.2 | 0 | 0 | 0 | 109.7 | Q513 A516 F543 L544 V549 K551 L554 I709 | Q513-F711 HydrophobicContact CB-CD1 4.3Å; Q513-F711 HydrophobicContact CB-CE1 4.34Å; Q513-F711 HydrophobicContact CG-CD1 3.66Å; Q513-F711 HydrophobicContact CG-CE1 4.03Å; Q513-F711 VanDerWaalsContact OE1-CA 3.27Å; A516-F711 HydrophobicContact CB-CE1 4.45Å; A516-F711 HydrophobicContact CB-CE2 4.27Å; A516-F711 HydrophobicContact CB-CZ 4.05Å; F543-F711 HydrophobicContact CB-CD2 4.18Å; F543-F711 HydrophobicContact CB-CE2 3.64Å; F543-F711 HydrophobicContact CB-CZ 4.47Å; F543-F711 AromaticContact CD1-CE2 3.91Å; F543-F711 HydrophobicContact CD1-CE2 3.91Å; F543-F711 AromaticContact CD2-CE2 3.72Å; F543-F711 HydrophobicContact CD2-CE2 3.72Å; F543-F711 AromaticContact CD2-CZ 3.77Å; F543-F711 HydrophobicContact CD2-CZ 3.77Å; F543-F711 HydrophobicContact CE2-CE2 4.35Å; F543-F711 HydrophobicContact CE2-CZ 4.08Å; F543-F711 HydrophobicContact CG-CD2 4.46Å; F543-F711 AromaticContact CG-CE2 3.48Å; F543-F711 HydrophobicContact CG-CE2 3.48Å; F543-F711 VanDerWaalsContact CG-CE2 3.48Å; F543-F711 HydrophobicContact CG-CZ 4.02Å; L544-F711 WeakPolarHBondContact O-CB 3.42Å; L544-F711 PolarHBondContact O-N 3.49Å; V549-F711 HydrophobicContact CB-CB 4.4Å; V549-F711 HydrophobicContact CG2-CB 3.54Å; V549-F711 HydrophobicContact CG2-CD1 3.96Å; V549-F711 HydrophobicContact CG2-CG 4.03Å; K551-F711 HydrophobicContact CB-CZ 4.45Å; K551-F711 HydrophobicContact CD-CD2 4.41Å; K551-F711 HydrophobicContact CG-CD1 4.02Å; K551-F711 HydrophobicContact CG-CD2 3.83Å; K551-F711 HydrophobicContact CG-CE1 4.13Å; K551-F711 HydrophobicContact CG-CE2 3.96Å; K551-F711 HydrophobicContact CG-CG 3.87Å; K551-F711 HydrophobicContact CG-CZ 4.1Å; L554-F711 HydrophobicContact CB-CZ 4.44Å; L554-F711 HydrophobicContact CD2-CE1 4.24Å; L554-F711 HydrophobicContact CD2-CZ 3.67Å; I709-F711 HydrophobicContact CB-CE2 4.49Å; I709-F711 HydrophobicContact CG2-CD2 4.15Å; I709-F711 HydrophobicContact CG2-CE2 3.82Å |
| 712 | H | 81.5 | Confident | 87.1 | Confident | 49 Ų | 49 | 55.5 Ų | 55.5 | 23% | 0.227 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -83.7 | 165.7 | 175 | 58.3 | 81.4 | 0 | 0 | 0 | 111.4 | Q513 Y682 E718 | Q513-H712 WeakPolarHBondContact CA-NE2 3.34Å; Q513-H712 PolarHBondContact N-NE2 3.13Å; Q513-H712 PolarHBondContact NE2-O 3.46Å; Q513-H712 PolarHBondContact OE1-CD2 3.31Å; Q513-H712 PolarHBondContact OE1-NE2 2.88Å; Y682-H712 HydrophobicContact CD2-CB 4.17Å; Y682-H712 HydrophobicContact CE2-CB 3.98Å; H712-E718 IonicContact CE1-OE1 3.63Å; H712-E718 PolarHBondContact CE1-OE1 2.92Å; H712-E718 IonicContact CE1-OE2 2.67Å |
| 713 | K | 81.5 | Confident | 87 | Confident | 64 Ų | 64 | 54.6 Ų | 54.6 | 28% | 0.278 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 147.2 | 171.1 | -67.4 | -178.2 | 178.9 | 180 | 0 | 109.6 | P546 | P546-K713 HydrophobicContact CG-CG 4.45Š|
| 714 | L | 82.9 | Confident | 87.1 | Confident | 10 Ų | 10 | 50 Ų | 50 | 5% | 0.052 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -74.2 | 134.3 | 177.5 | -63.3 | 169 | 0 | 0 | 0 | 110.2 | E718 L719 I722 A762 | L714-E718 WeakPolarHBondContact CA-OE2 3.39Å; L714-E718 HydrophobicContact CD2-CB 4.39Å; L714-L719 HydrophobicContact CB-CD2 4.12Å; L714-L719 HydrophobicContact CB-CG 4.09Å; L714-L719 HydrophobicContact CD1-CD2 3.97Å; L714-I722 HydrophobicContact CD1-CD1 3.7Å; L714-I722 HydrophobicContact CD2-CD1 4.06Å; L714-I722 HydrophobicContact CG-CD1 4.46Å; L714-A762 HydrophobicContact CD1-CB 3.58Å |
| 715 | T | 83.3 | Confident | 87 | Confident | 67 Ų | 67 | 47.1 Ų | 47.1 | 41% | 0.411 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -78.5 | 163.7 | 172.7 | 66.4 | 0 | 0 | 0 | 0 | 111 | E717 E718 L719 | T715-E717 PolarHBondContact O-N 3.21Å; T715-E718 PolarHBondContact N-OE2 3.29Å; T715-E718 PolarHBondContact O-N 2.97Å; T715-E718 VanDerWaalsContact OG1-CG 3.23Å; T715-E718 WeakPolarHBondContact OG1-CG 3.25Å; T715-E718 PolarHBondContact OG1-N 2.95Å; T715-E718 PolarHBondContact OG1-OE2 3.15Å; T715-L719 WeakPolarHBondContact O-CD1 3.38Å; T715-L719 VanDerWaalsContact O-CG 3.3Å; T715-L719 WeakPolarHBondContact O-CG 3.37Å; T715-L719 PolarHBondContact O-N 3.3Å |
| 716 | K | 81.8 | Confident | 86.9 | Confident | 161 Ų | 161 | 48.4 Ų | 48.4 | 70% | 0.7 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -59.8 | -36.4 | 176.4 | -70.8 | -170.6 | 175.8 | -168.5 | 0 | 112.7 | L719 K720 | K716-L719 PolarHBondContact O-N 2.92Å; K716-K720 PolarHBondContact O-N 3.32Å |
| 717 | E | 85.5 | Confident | 86.9 | Confident | 156 Ų | 156 | 46.3 Ų | 46.3 | 73% | 0.729 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -67 | -46.4 | 177.5 | -64.3 | -179.8 | 173.6 | 0 | 0 | 110.9 | T715 L719 K720 E721 | T715-E717 PolarHBondContact O-N 3.21Å; E717-L719 VanDerWaalsContact C-N 3.3Å; E717-L719 PolarHBondContact O-N 3.43Å; E717-K720 WeakPolarHBondContact O-CB 3.42Å; E717-K720 PolarHBondContact O-N 3.12Å; E717-K720 VanDerWaalsContact O-N 3.15Å; E717-E721 PolarHBondContact O-N 3.03Å; E717-E721 VanDerWaalsContact O-N 3.12Å |
| 718 | E | 86.6 | Confident | 86.8 | Confident | 30 Ų | 30 | 47.2 Ų | 47.2 | 14% | 0.14 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.8 | -38.6 | 175.6 | -71 | 168.7 | 156.6 | 0 | 0 | 112 | I511 G512 H712 L714 T715 K720 E721 I722 | I511-E718 HydrophobicContact CG2-CB 3.96Å; I511-E718 HydrophobicContact CG2-CG 4.12Å; G512-E718 WeakPolarHBondContact CA-OE1 3.47Å; H712-E718 IonicContact CE1-OE1 3.63Å; H712-E718 PolarHBondContact CE1-OE1 2.92Å; H712-E718 IonicContact CE1-OE2 2.67Å; L714-E718 WeakPolarHBondContact CA-OE2 3.39Å; L714-E718 HydrophobicContact CD2-CB 4.39Å; T715-E718 PolarHBondContact N-OE2 3.29Å; T715-E718 PolarHBondContact O-N 2.97Å; T715-E718 VanDerWaalsContact OG1-CG 3.23Å; T715-E718 WeakPolarHBondContact OG1-CG 3.25Å; T715-E718 PolarHBondContact OG1-N 2.95Å; T715-E718 PolarHBondContact OG1-OE2 3.15Å; E718-K720 VanDerWaalsContact C-N 3.35Å; E718-K720 PolarHBondContact O-N 3.42Å; E718-E721 PolarHBondContact O-N 3.05Å; E718-I722 VanDerWaalsContact O-CG1 3.24Å; E718-I722 WeakPolarHBondContact O-CG1 3.26Å; E718-I722 PolarHBondContact O-N 3.03Å |
| 719 | L | 86.2 | Confident | 86.5 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.1 | -40.3 | 176 | -70.5 | 160.8 | 0 | 0 | 0 | 112.1 | L714 T715 K716 E717 E721 I722 V723 A752 Y756 A762 L765 | L714-L719 HydrophobicContact CB-CD2 4.12Å; L714-L719 HydrophobicContact CB-CG 4.09Å; L714-L719 HydrophobicContact CD1-CD2 3.97Å; T715-L719 WeakPolarHBondContact O-CD1 3.38Å; T715-L719 VanDerWaalsContact O-CG 3.3Å; T715-L719 WeakPolarHBondContact O-CG 3.37Å; T715-L719 PolarHBondContact O-N 3.3Å; K716-L719 PolarHBondContact O-N 2.92Å; E717-L719 VanDerWaalsContact C-N 3.3Å; E717-L719 PolarHBondContact O-N 3.43Å; L719-E721 VanDerWaalsContact C-N 3.34Å; L719-I722 PolarHBondContact O-N 3.45Å; L719-V723 WeakPolarHBondContact O-CG2 3.35Å; L719-V723 PolarHBondContact O-N 2.94Å; L719-A752 HydrophobicContact CB-CB 4.26Å; L719-Y756 HydrophobicContact CD1-CD2 3.14Å; L719-Y756 HydrophobicContact CD1-CE2 3.6Å; L719-Y756 HydrophobicContact CD1-CG 3.68Å; L719-Y756 HydrophobicContact CD2-CD2 4.02Å; L719-Y756 HydrophobicContact CG-CD2 4.21Å; L719-A762 HydrophobicContact CD2-CB 4.09Å; L719-L765 HydrophobicContact CD2-CD1 4.03Å |
| 720 | K | 87.4 | Confident | 86.4 | Confident | 56 Ų | 56 | 49.8 Ų | 49.8 | 24% | 0.243 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.3 | -40.8 | 176.5 | -174 | -173.6 | -172 | 143.9 | 0 | 111.8 | K716 E717 E718 V723 T724 D749 | K716-K720 PolarHBondContact O-N 3.32Å; E717-K720 WeakPolarHBondContact O-CB 3.42Å; E717-K720 PolarHBondContact O-N 3.12Å; E717-K720 VanDerWaalsContact O-N 3.15Å; E718-K720 VanDerWaalsContact C-N 3.35Å; E718-K720 PolarHBondContact O-N 3.42Å; K720-V723 PolarHBondContact O-N 3.47Å; K720-T724 PolarHBondContact O-N 3.48Å; K720-T724 PolarHBondContact O-OG1 3.17Å; K720-D749 WeakPolarHBondContact CD-OD1 3.5Å; K720-D749 WeakPolarHBondContact CE-OD1 3.29Å; K720-D749 IonicContact NZ-OD1 3.41Å; K720-D749 PolarHBondContact NZ-OD1 3.3Å; K720-D749 IonicContact NZ-OD2 3.88Å; K720-D749 PolarHBondContact NZ-OD2 3.35Å |
| 721 | E | 88.3 | Confident | 86.4 | Confident | 108 Ų | 108 | 50.6 Ų | 50.6 | 51% | 0.505 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.6 | -42.7 | 174.6 | -75.3 | -178.6 | -173.9 | 0 | 0 | 111.4 | I511 E717 E718 L719 V723 T724 M725 | I511-E721 HydrophobicContact CD1-CB 4.29Å; I511-E721 HydrophobicContact CG1-CB 4.14Å; I511-E721 HydrophobicContact CG2-CB 3.75Å; I511-E721 WeakPolarHBondContact CG2-OE2 3.38Å; E717-E721 PolarHBondContact O-N 3.03Å; E717-E721 VanDerWaalsContact O-N 3.12Å; E718-E721 PolarHBondContact O-N 3.05Å; L719-E721 VanDerWaalsContact C-N 3.34Å; E721-V723 PolarHBondContact O-N 2.92Å; E721-T724 WeakPolarHBondContact O-CB 3.47Å; E721-T724 PolarHBondContact O-N 2.87Å; E721-T724 VanDerWaalsContact O-N 3.15Å; E721-M725 PolarHBondContact O-N 3.22Å |
| 722 | I | 88.2 | Confident | 86.3 | Confident | 17 Ų | 17 | 55.7 Ų | 55.7 | 9% | 0.087 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.1 | -44.8 | 174.5 | -67.2 | 164.4 | 0 | 0 | 0 | 111.1 | I511 L714 E718 L719 T724 M725 M726 A762 L765 | I511-I722 HydrophobicContact CB-CD1 4.49Å; I511-I722 HydrophobicContact CB-CG1 3.83Å; I511-I722 HydrophobicContact CG1-CG1 4.02Å; I511-I722 HydrophobicContact CG2-CG1 4.3Å; L714-I722 HydrophobicContact CD1-CD1 3.7Å; L714-I722 HydrophobicContact CD2-CD1 4.06Å; L714-I722 HydrophobicContact CG-CD1 4.46Å; E718-I722 VanDerWaalsContact O-CG1 3.24Å; E718-I722 WeakPolarHBondContact O-CG1 3.26Å; E718-I722 PolarHBondContact O-N 3.03Å; L719-I722 PolarHBondContact O-N 3.45Å; I722-T724 VanDerWaalsContact C-N 3.32Å; I722-T724 PolarHBondContact O-N 3.39Å; I722-M725 PolarHBondContact O-N 3.37Å; I722-M726 HydrophobicContact CG2-CE 3.81Å; I722-M726 HydrophobicContact CG2-CG 4.49Å; I722-M726 HydrophobicContact CG2-SD 4.27Å; I722-M726 WeakPolarHBondContact O-CG 3.41Å; I722-M726 PolarHBondContact O-N 2.79Å; I722-A762 HydrophobicContact CD1-CB 4.36Å; I722-L765 HydrophobicContact CB-CD1 4.27Å; I722-L765 HydrophobicContact CG2-CD1 3.69Å |
| 723 | V | 89.4 | Confident | 86.5 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.5 | -43.3 | 175.3 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | L719 K720 E721 M725 M726 V727 K748 I751 A752 L765 I769 | L719-V723 WeakPolarHBondContact O-CG2 3.35Å; L719-V723 PolarHBondContact O-N 2.94Å; K720-V723 PolarHBondContact O-N 3.47Å; E721-V723 PolarHBondContact O-N 2.92Å; V723-M725 VanDerWaalsContact C-N 3.32Å; V723-M725 PolarHBondContact O-N 3.5Å; V723-M726 PolarHBondContact O-N 3.46Å; V723-V727 HydrophobicContact CG1-CG2 4.18Å; V723-V727 WeakPolarHBondContact O-CB 3.37Å; V723-V727 VanDerWaalsContact O-CG2 3.27Å; V723-V727 WeakPolarHBondContact O-CG2 3.24Å; V723-V727 PolarHBondContact O-N 3.14Å; V723-K748 HydrophobicContact CG1-CB 4.04Å; V723-K748 HydrophobicContact CG1-CG 4.14Å; V723-I751 HydrophobicContact CG1-CB 4.17Å; V723-I751 HydrophobicContact CG1-CG2 3.86Å; V723-I751 HydrophobicContact CG2-CG2 3.99Å; V723-A752 HydrophobicContact CG2-CB 4.11Å; V723-L765 HydrophobicContact CG2-CD1 4.13Å; V723-L765 HydrophobicContact CG2-CD2 3.75Å; V723-L765 HydrophobicContact CG2-CG 4.45Å; V723-I769 HydrophobicContact CG1-CD1 4.5Å |
| 724 | T | 89.7 | Confident | 86.7 | Confident | 35 Ų | 35 | 58.5 Ų | 58.5 | 22% | 0.215 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.2 | -45.6 | 176.5 | -60 | 0 | 0 | 0 | 0 | 111.3 | K720 E721 I722 V727 N728 K748 | K720-T724 PolarHBondContact O-N 3.48Å; K720-T724 PolarHBondContact O-OG1 3.17Å; E721-T724 WeakPolarHBondContact O-CB 3.47Å; E721-T724 PolarHBondContact O-N 2.87Å; E721-T724 VanDerWaalsContact O-N 3.15Å; I722-T724 VanDerWaalsContact C-N 3.32Å; I722-T724 PolarHBondContact O-N 3.39Å; T724-V727 PolarHBondContact O-N 2.86Å; T724-N728 PolarHBondContact O-N 3.08Å; T724-N728 PolarHBondContact O-ND2 3.45Å; T724-N728 PolarHBondContact O-OD1 3.33Å; T724-K748 WeakPolarHBondContact OG1-CD 3.31Å; T724-K748 PolarHBondContact OG1-NZ 3.19Å |
| 725 | M | 87.5 | Confident | 86.7 | Confident | 44 Ų | 44 | 60.1 Ų | 60.1 | 22% | 0.217 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 177 | -176.5 | -169 | 57.5 | 0 | 0 | 112.1 | R509 E721 I722 V723 N728 K729 | R509-M725 VanDerWaalsContact O-SD 3.4Å; E721-M725 PolarHBondContact O-N 3.22Å; I722-M725 PolarHBondContact O-N 3.37Å; V723-M725 VanDerWaalsContact C-N 3.32Å; V723-M725 PolarHBondContact O-N 3.5Å; M725-N728 PolarHBondContact O-N 2.91Å; M725-K729 PolarHBondContact O-N 2.8Å |
| 726 | M | 87.5 | Confident | 86.8 | Confident | 43 Ų | 43 | 65 Ų | 65 | 21% | 0.212 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 178.8 | -70.1 | -177.6 | 174.9 | 0 | 0 | 112.2 | I722 V723 K729 L730 L765 I766 I769 | I722-M726 HydrophobicContact CG2-CE 3.81Å; I722-M726 HydrophobicContact CG2-CG 4.49Å; I722-M726 HydrophobicContact CG2-SD 4.27Å; I722-M726 WeakPolarHBondContact O-CG 3.41Å; I722-M726 PolarHBondContact O-N 2.79Å; V723-M726 PolarHBondContact O-N 3.46Å; M726-K729 PolarHBondContact O-N 2.76Å; M726-L730 PolarHBondContact O-N 3.13Å; M726-L765 HydrophobicContact CE-CB 4.5Å; M726-L765 HydrophobicContact SD-CB 4.04Å; M726-I766 HydrophobicContact CE-CD1 4.22Å; M726-I766 HydrophobicContact CE-CG1 3.69Å; M726-I766 HydrophobicContact SD-CG1 3.83Å; M726-I769 HydrophobicContact CB-CD1 3.45Å; M726-I769 VanDerWaalsContact CB-CD1 3.45Å; M726-I769 HydrophobicContact CG-CD1 4.25Å; M726-I769 HydrophobicContact SD-CD1 3.82Å |
| 727 | V | 88.9 | Confident | 86.8 | Confident | 4 Ų | 4 | 62.7 Ų | 62.7 | 2% | 0.024 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 174.5 | 167.1 | 0 | 0 | 0 | 0 | 110.8 | V723 T724 K729 L730 T731 V743 I773 | V723-V727 HydrophobicContact CG1-CG2 4.18Å; V723-V727 WeakPolarHBondContact O-CB 3.37Å; V723-V727 VanDerWaalsContact O-CG2 3.27Å; V723-V727 WeakPolarHBondContact O-CG2 3.24Å; V723-V727 PolarHBondContact O-N 3.14Å; T724-V727 PolarHBondContact O-N 2.86Å; V727-K729 VanDerWaalsContact C-N 3.3Å; V727-K729 PolarHBondContact O-N 2.99Å; V727-L730 CarbonylContact O-C 3.53Å; V727-L730 WeakPolarHBondContact O-CA 3.2Å; V727-L730 WeakPolarHBondContact O-CB 3.47Å; V727-L730 PolarHBondContact O-N 2.95Å; V727-T731 PolarHBondContact O-N 3.47Å; V727-T731 PolarHBondContact O-OG1 3.05Å; V727-T731 VanDerWaalsContact O-OG1 3.13Å; V727-V743 HydrophobicContact CB-CG2 4.45Å; V727-V743 HydrophobicContact CG1-CB 3.88Å; V727-V743 HydrophobicContact CG1-CG2 3.36Å; V727-V743 HydrophobicContact CG2-CG2 4.19Å; V727-I773 HydrophobicContact CG2-CD1 4.09Å |
| 728 | N | 88.1 | Confident | 86.7 | Confident | 87 Ų | 87 | 60.6 Ų | 60.6 | 47% | 0.465 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.8 | -40.1 | 177.2 | -70.3 | -13.7 | 0 | 0 | 0 | 111.7 | T724 M725 L730 T731 N732 | T724-N728 PolarHBondContact O-N 3.08Å; T724-N728 PolarHBondContact O-ND2 3.45Å; T724-N728 PolarHBondContact O-OD1 3.33Å; M725-N728 PolarHBondContact O-N 2.91Å; N728-L730 VanDerWaalsContact C-N 3.32Å; N728-L730 PolarHBondContact O-N 3.4Å; N728-T731 PolarHBondContact O-N 3.13Å; N728-N732 PolarHBondContact O-N 2.94Å |
| 729 | K | 86.2 | Confident | 86.5 | Confident | 94 Ų | 94 | 59.4 Ų | 59.4 | 41% | 0.409 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.3 | -38.5 | 172.9 | -73.1 | -175.8 | 179 | -174 | 0 | 112.2 | M725 M726 V727 R733 | M725-K729 PolarHBondContact O-N 2.8Å; M726-K729 PolarHBondContact O-N 2.76Å; V727-K729 VanDerWaalsContact C-N 3.3Å; V727-K729 PolarHBondContact O-N 2.99Å; K729-R733 WeakPolarHBondContact O-CG 3.47Å; K729-R733 PolarHBondContact O-N 3.44Å |
| 730 | L | 87.9 | Confident | 86.4 | Confident | 7 Ų | 7 | 62.3 Ų | 62.3 | 4% | 0.037 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.1 | -46 | 173.9 | 177.4 | 60.3 | 0 | 0 | 0 | 111.5 | M726 V727 N728 N732 R733 L734 I769 I773 E774 | M726-L730 PolarHBondContact O-N 3.13Å; V727-L730 CarbonylContact O-C 3.53Å; V727-L730 WeakPolarHBondContact O-CA 3.2Å; V727-L730 WeakPolarHBondContact O-CB 3.47Å; V727-L730 PolarHBondContact O-N 2.95Å; N728-L730 VanDerWaalsContact C-N 3.32Å; N728-L730 PolarHBondContact O-N 3.4Å; L730-N732 VanDerWaalsContact C-N 3.31Å; L730-N732 PolarHBondContact O-N 3.5Å; L730-R733 PolarHBondContact O-N 3.34Å; L730-R733 VanDerWaalsContact O-N 3.14Å; L730-L734 HydrophobicContact CD1-CD1 3.64Å; L730-L734 HydrophobicContact CD1-CG 4.07Å; L730-L734 HydrophobicContact CG-CD1 3.81Å; L730-L734 WeakPolarHBondContact O-CG 3.34Å; L730-L734 PolarHBondContact O-N 2.9Å; L730-I769 HydrophobicContact CD2-CG2 3.99Å; L730-I773 HydrophobicContact CD2-CB 4.25Å; L730-I773 HydrophobicContact CD2-CG2 3.69Å; L730-E774 HydrophobicContact CD1-CG 3.93Å; L730-E774 WeakPolarHBondContact CD1-OE1 3.44Å; L730-E774 HydrophobicContact CD2-CG 3.91Å |
| 731 | T | 87.2 | Confident | 86.4 | Confident | 24 Ų | 24 | 60.1 Ų | 60.1 | 15% | 0.147 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.7 | -41.5 | 177.3 | -58.8 | 0 | 0 | 0 | 0 | 111.8 | V727 N728 L734 S735 I741 | V727-T731 PolarHBondContact O-N 3.47Å; V727-T731 PolarHBondContact O-OG1 3.05Å; V727-T731 VanDerWaalsContact O-OG1 3.13Å; N728-T731 PolarHBondContact O-N 3.13Å; T731-L734 PolarHBondContact O-N 3.37Å; T731-S735 WeakPolarHBondContact O-CB 3.23Å; T731-S735 PolarHBondContact O-N 3.09Å; T731-I741 PolarHBondContact OG1-O 3.07Å |
| 732 | N | 86.6 | Confident | 86.4 | Confident | 110 Ų | 110 | 58.6 Ų | 58.6 | 59% | 0.588 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -65.5 | -36.7 | 176.4 | -72.4 | -9.3 | 0 | 0 | 0 | 113 | N728 L730 L734 S735 | N728-N732 PolarHBondContact O-N 2.94Å; L730-N732 VanDerWaalsContact C-N 3.31Å; L730-N732 PolarHBondContact O-N 3.5Å; N732-L734 VanDerWaalsContact C-N 3.34Å; N732-S735 PolarHBondContact O-OG 2.92Å |
| 733 | R | 86.4 | Confident | 86.4 | Confident | 143 Ų | 143 | 58.3 Ų | 58.3 | 54% | 0.54 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -68 | -36.6 | 174.6 | -72.5 | -174.9 | -67.5 | 153.4 | 4 | 111.8 | K729 L730 E774 | K729-R733 WeakPolarHBondContact O-CG 3.47Å; K729-R733 PolarHBondContact O-N 3.44Å; L730-R733 PolarHBondContact O-N 3.34Å; L730-R733 VanDerWaalsContact O-N 3.14Å; R733-E774 IonicContact NH2-OE1 2.73Å; R733-E774 PolarHBondContact NH2-OE1 3.06Å; R733-E774 VanDerWaalsContact NH2-OE1 3.15Å |
| 734 | L | 85.5 | Confident | 86.5 | Confident | 29 Ų | 29 | 60 Ų | 60 | 15% | 0.152 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -81.4 | -23.2 | -178.1 | -69.8 | 174.3 | 0 | 0 | 0 | 113 | L730 T731 N732 E736 Q737 N738 I739 I741 L777 | L730-L734 HydrophobicContact CD1-CD1 3.64Å; L730-L734 HydrophobicContact CD1-CG 4.07Å; L730-L734 HydrophobicContact CG-CD1 3.81Å; L730-L734 WeakPolarHBondContact O-CG 3.34Å; L730-L734 PolarHBondContact O-N 2.9Å; T731-L734 PolarHBondContact O-N 3.37Å; N732-L734 VanDerWaalsContact C-N 3.34Å; L734-E736 VanDerWaalsContact C-N 3.25Å; L734-E736 PolarHBondContact O-N 3.32Å; L734-Q737 CarbonylContact O-C 3.58Å; L734-Q737 WeakPolarHBondContact O-CA 3.23Å; L734-Q737 WeakPolarHBondContact O-CB 3.48Å; L734-Q737 PolarHBondContact O-N 3.04Å; L734-N738 PolarHBondContact O-N 3.49Å; L734-I739 CarbonylContact C-O 3.56Å; L734-I739 VanDerWaalsContact C-O 3.28Å; L734-I739 HydrophobicContact CB-CB 4.17Å; L734-I739 HydrophobicContact CB-CG2 4.41Å; L734-I739 PolarHBondContact O-N 3.31Å; L734-I741 HydrophobicContact CB-CD1 4.15Å; L734-I741 HydrophobicContact CD1-CD1 3.12Å; L734-I741 HydrophobicContact CG-CD1 4.24Å; L734-L777 HydrophobicContact CD1-CD1 4.13Å |
| 735 | S | 83.3 | Confident | 86.4 | Confident | 45 Ų | 45 | 62.7 Ų | 62.7 | 32% | 0.315 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.9 | -26.2 | 174 | 68.3 | 0 | 0 | 0 | 0 | 112.7 | T731 N732 Q737 N738 I739 | T731-S735 WeakPolarHBondContact O-CB 3.23Å; T731-S735 PolarHBondContact O-N 3.09Å; N732-S735 PolarHBondContact O-OG 2.92Å; S735-Q737 PolarHBondContact O-N 3.47Å; S735-N738 WeakPolarHBondContact O-CA 3.41Å; S735-N738 PolarHBondContact O-N 3.1Å; S735-I739 PolarHBondContact N-O 2.86Å |
| 736 | E | 84.9 | Confident | 86.5 | Confident | 169 Ų | 169 | 67.2 Ų | 67.2 | 79% | 0.79 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -26.3 | 169.2 | -65.2 | -176.1 | 174.5 | 0 | 0 | 112.4 | L734 N738 | L734-E736 VanDerWaalsContact C-N 3.25Å; L734-E736 PolarHBondContact O-N 3.32Å; E736-N738 VanDerWaalsContact C-N 3.34Å |
| 737 | Q | 81.8 | Confident | 86.5 | Confident | 112 Ų | 112 | 65.1 Ų | 65.1 | 52% | 0.523 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 13.9 | 173.7 | -60.7 | -178.5 | -10.4 | 0 | 0 | 112.2 | L734 S735 I739 | L734-Q737 CarbonylContact O-C 3.58Å; L734-Q737 WeakPolarHBondContact O-CA 3.23Å; L734-Q737 WeakPolarHBondContact O-CB 3.48Å; L734-Q737 PolarHBondContact O-N 3.04Å; S735-Q737 PolarHBondContact O-N 3.47Å; Q737-I739 HydrophobicContact CB-CD1 4.36Å; Q737-I739 HydrophobicContact CB-CG1 4.4Å; Q737-I739 PolarHBondContact O-N 3.49Å |
| 738 | N | 82.7 | Confident | 86.5 | Confident | 112 Ų | 112 | 66.1 Ų | 66.1 | 60% | 0.599 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 27.6 | -173.7 | -61.8 | -49.7 | 0 | 0 | 0 | 114.4 | L734 S735 E736 G789 | L734-N738 PolarHBondContact O-N 3.49Å; S735-N738 WeakPolarHBondContact O-CA 3.41Å; S735-N738 PolarHBondContact O-N 3.1Å; E736-N738 VanDerWaalsContact C-N 3.34Å; N738-G789 WeakPolarHBondContact O-CA 3.43Å; N738-G789 PolarHBondContact O-N 3.17Å |
| 739 | I | 82.7 | Confident | 86.5 | Confident | 6 Ų | 6 | 65.1 Ų | 65.1 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | trans | -104.7 | 112.1 | 176.9 | -59.4 | 175.5 | 0 | 0 | 0 | 109 | L734 S735 Q737 I741 I781 I787 | L734-I739 CarbonylContact C-O 3.56Å; L734-I739 VanDerWaalsContact C-O 3.28Å; L734-I739 HydrophobicContact CB-CB 4.17Å; L734-I739 HydrophobicContact CB-CG2 4.41Å; L734-I739 PolarHBondContact O-N 3.31Å; S735-I739 PolarHBondContact N-O 2.86Å; Q737-I739 HydrophobicContact CB-CD1 4.36Å; Q737-I739 HydrophobicContact CB-CG1 4.4Å; Q737-I739 PolarHBondContact O-N 3.49Å; I739-I741 HydrophobicContact CG2-CD1 3.84Å; I739-I741 HydrophobicContact CG2-CG1 3.98Å; I739-I781 HydrophobicContact CD1-CD1 3.94Å; I739-I787 HydrophobicContact CB-CG2 4.47Å; I739-I787 HydrophobicContact CD1-CG2 4.21Å; I739-I787 HydrophobicContact CG1-CG2 4.09Å; I739-I787 HydrophobicContact CG2-CG2 3.7Å | ||
| 740 | N | 84 | Confident | 86.6 | Confident | 64 Ų | 64 | 63.3 Ų | 63.3 | 34% | 0.342 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 113.3 | 178.9 | -79.5 | -23.7 | 0 | 0 | 0 | 110.8 | K790 K791 V792 Q808 | N740-K790 PolarHBondContact N-O 3.47Å; N740-K791 CarbonylContact O-C 3.51Å; N740-K791 WeakPolarHBondContact O-CA 3.38Å; N740-V792 PolarHBondContact O-N 3.41Å; N740-Q808 PolarHBondContact ND2-NE2 3.32Å |
| 741 | I | 87 | Confident | 86.6 | Confident | 9 Ų | 9 | 63 Ų | 63 | 5% | 0.046 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 133.8 | -178.4 | -66.2 | 144.1 | 0 | 0 | 0 | 111 | T731 L734 I739 V743 L777 V792 V794 | T731-I741 PolarHBondContact OG1-O 3.07Å; L734-I741 HydrophobicContact CB-CD1 4.15Å; L734-I741 HydrophobicContact CD1-CD1 3.12Å; L734-I741 HydrophobicContact CG-CD1 4.24Å; I739-I741 HydrophobicContact CG2-CD1 3.84Å; I739-I741 HydrophobicContact CG2-CG1 3.98Å; I741-V743 HydrophobicContact CG2-CG2 3.92Å; I741-L777 HydrophobicContact CD1-CD1 3.37Å; I741-L777 HydrophobicContact CG1-CD1 4.11Å; I741-V792 CarbonylContact C-O 3.49Å; I741-V792 VanDerWaalsContact CA-O 3.31Å; I741-V792 WeakPolarHBondContact CA-O 3.28Å; I741-V792 HydrophobicContact CG1-CB 4.12Å; I741-V794 HydrophobicContact CG2-CG2 4Å |
| 742 | I | 88.2 | Confident | 86.5 | Confident | 77 Ų | 77 | 62.2 Ų | 62.2 | 40% | 0.395 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 120.1 | 169.2 | -60.3 | -155.1 | 0 | 0 | 0 | 108.8 | K791 V792 T793 V794 | I742-K791 HydrophobicContact CD1-CD 4.44Å; I742-V792 PolarHBondContact N-O 2.88Å; I742-T793 CarbonylContact O-C 3.48Å; I742-T793 VanDerWaalsContact O-CA 3.28Å; I742-T793 WeakPolarHBondContact O-CA 3.29Å; I742-V794 PolarHBondContact O-N 3.25Å |
| 743 | V | 88.6 | Confident | 86.5 | Confident | 11 Ų | 11 | 62.5 Ų | 62.5 | 7% | 0.067 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 123.6 | 174.9 | -172.6 | 0 | 0 | 0 | 0 | 108.9 | V727 I741 A747 K748 I773 V794 | V727-V743 HydrophobicContact CB-CG2 4.45Å; V727-V743 HydrophobicContact CG1-CB 3.88Å; V727-V743 HydrophobicContact CG1-CG2 3.36Å; V727-V743 HydrophobicContact CG2-CG2 4.19Å; I741-V743 HydrophobicContact CG2-CG2 3.92Å; V743-A747 HydrophobicContact CG1-CB 3.69Å; V743-K748 HydrophobicContact CB-CG 4.44Å; V743-K748 HydrophobicContact CG1-CG 3.86Å; V743-K748 WeakPolarHBondContact O-CE 3.37Å; V743-I773 HydrophobicContact CG1-CD1 4.4Å; V743-I773 HydrophobicContact CG2-CD1 3.82Å; V743-V794 HydrophobicContact CB-CB 4.5Å; V743-V794 HydrophobicContact CG1-CB 4.31Å; V743-V794 HydrophobicContact CG2-CB 4.19Å; V743-V794 HydrophobicContact CG2-CG2 4.31Å |
| 744 | T | 91 | Very high | 86.3 | Confident | 35 Ų | 35 | 60.9 Ų | 60.9 | 22% | 0.215 | 30% | 0.304 | C | S | . | . | trans | -68.9 | 157.3 | 177.8 | 62.6 | 0 | 0 | 0 | 0 | 111.8 | K746 A747 K748 T793 V794 D795 | T744-K746 VanDerWaalsContact C-N 3.26Å; T744-K746 PolarHBondContact O-N 2.83Å; T744-A747 PolarHBondContact O-N 2.79Å; T744-A747 VanDerWaalsContact O-N 3.16Å; T744-A747 WeakPolarHBondContact OG1-CB 3.42Å; T744-A747 PolarHBondContact OG1-N 3.5Å; T744-K748 WeakPolarHBondContact O-CG 3.14Å; T744-K748 PolarHBondContact O-N 3.19Å; T744-T793 HydrophobicContact CG2-CG2 4.1Å; T744-V794 WeakPolarHBondContact CG2-O 3.08Å; T744-V794 PolarHBondContact N-O 3.45Å; T744-V794 PolarHBondContact OG1-O 3.38Å; T744-D795 HydrophobicContact CG2-CB 3.93Å; T744-D795 WeakPolarHBondContact OG1-CA 3.29Å; T744-D795 PolarHBondContact OG1-OD1 3.37Å | ||
| 745 | D | 88.6 | Confident | 85.9 | Confident | 92 Ų | 92 | 59.5 Ų | 59.5 | 49% | 0.492 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.9 | -30.9 | 179.9 | -69.7 | -26.1 | 0 | 0 | 0 | 113.3 | K748 D749 | D745-K748 PolarHBondContact O-N 2.79Å; D745-K748 IonicContact OD1-NZ 3.72Å; D745-K748 PolarHBondContact OD1-NZ 3.36Å; D745-D749 WeakPolarHBondContact O-CB 3.25Å; D745-D749 PolarHBondContact O-N 2.93Å |
| 746 | K | 89.1 | Confident | 85.7 | Confident | 138 Ų | 138 | 61.2 Ų | 61.2 | 60% | 0.6 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64.6 | -42.5 | 174 | -69.1 | -178.8 | -178.4 | 174.2 | 0 | 112 | T744 D749 K750 | T744-K746 VanDerWaalsContact C-N 3.26Å; T744-K746 PolarHBondContact O-N 2.83Å; K746-D749 PolarHBondContact O-N 3.17Å; K746-K750 PolarHBondContact O-N 3.44Å |
| 747 | A | 88.2 | Confident | 85.3 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.7 | -41.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | V743 T744 K750 I751 V794 H796 F801 | V743-A747 HydrophobicContact CG1-CB 3.69Å; T744-A747 PolarHBondContact O-N 2.79Å; T744-A747 VanDerWaalsContact O-N 3.16Å; T744-A747 WeakPolarHBondContact OG1-CB 3.42Å; T744-A747 PolarHBondContact OG1-N 3.5Å; A747-K750 PolarHBondContact O-N 2.75Å; A747-I751 VanDerWaalsContact O-CG1 3.25Å; A747-I751 WeakPolarHBondContact O-CG1 3.26Å; A747-I751 PolarHBondContact O-N 2.83Å; A747-V794 HydrophobicContact CB-CG1 4.34Å; A747-H796 HydrophobicContact CB-CB 4.26Å; A747-F801 HydrophobicContact CB-CD1 4.2Å; A747-F801 HydrophobicContact CB-CE1 3.97Å |
| 748 | K | 89.6 | Confident | 84.9 | Confident | 25 Ų | 25 | 53.8 Ų | 53.8 | 11% | 0.109 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 175.3 | -65 | 173.8 | -175.3 | 171.6 | 0 | 112.7 | V723 T724 V743 T744 D745 K750 I751 A752 | V723-K748 HydrophobicContact CG1-CB 4.04Å; V723-K748 HydrophobicContact CG1-CG 4.14Å; T724-K748 WeakPolarHBondContact OG1-CD 3.31Å; T724-K748 PolarHBondContact OG1-NZ 3.19Å; V743-K748 HydrophobicContact CB-CG 4.44Å; V743-K748 HydrophobicContact CG1-CG 3.86Å; V743-K748 WeakPolarHBondContact O-CE 3.37Å; T744-K748 WeakPolarHBondContact O-CG 3.14Å; T744-K748 PolarHBondContact O-N 3.19Å; D745-K748 PolarHBondContact O-N 2.79Å; D745-K748 IonicContact OD1-NZ 3.72Å; D745-K748 PolarHBondContact OD1-NZ 3.36Å; K748-K750 VanDerWaalsContact C-N 3.28Å; K748-K750 PolarHBondContact O-N 2.84Å; K748-I751 PolarHBondContact O-N 3.26Å; K748-A752 WeakPolarHBondContact O-CB 3.22Å; K748-A752 PolarHBondContact O-N 2.89Å |
| 749 | D | 88 | Confident | 84.3 | Confident | 65 Ų | 65 | 53.2 Ų | 53.2 | 35% | 0.348 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60 | -42.6 | 176.9 | -72.6 | -26.4 | 0 | 0 | 0 | 110.6 | K720 D745 K746 A752 E753 | K720-D749 WeakPolarHBondContact CD-OD1 3.5Å; K720-D749 WeakPolarHBondContact CE-OD1 3.29Å; K720-D749 IonicContact NZ-OD1 3.41Å; K720-D749 PolarHBondContact NZ-OD1 3.3Å; K720-D749 IonicContact NZ-OD2 3.88Å; K720-D749 PolarHBondContact NZ-OD2 3.35Å; D745-D749 WeakPolarHBondContact O-CB 3.25Å; D745-D749 PolarHBondContact O-N 2.93Å; K746-D749 PolarHBondContact O-N 3.17Å; D749-A752 PolarHBondContact O-N 2.9Å; D749-E753 WeakPolarHBondContact O-CG 3.4Å; D749-E753 PolarHBondContact O-N 3.44Å |
| 750 | K | 86.8 | Confident | 83.9 | Confident | 57 Ų | 57 | 58.4 Ų | 58.4 | 25% | 0.248 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.6 | -42.4 | 177.9 | -172.2 | 62.9 | -178.7 | 165.8 | 0 | 112.7 | K746 A747 K748 A752 E753 E754 F801 | K746-K750 PolarHBondContact O-N 3.44Å; A747-K750 PolarHBondContact O-N 2.75Å; K748-K750 VanDerWaalsContact C-N 3.28Å; K748-K750 PolarHBondContact O-N 2.84Å; K750-A752 VanDerWaalsContact C-N 3.29Å; K750-A752 PolarHBondContact O-N 3.17Å; K750-E753 IonicContact NZ-OE2 2.68Å; K750-E753 PolarHBondContact O-N 3.32Å; K750-E754 WeakPolarHBondContact CE-OE1 3.33Å; K750-E754 PolarHBondContact O-N 3.06Å; K750-F801 HydrophobicContact CB-CE1 4.37Å; K750-F801 HydrophobicContact CB-CZ 4.01Å; K750-F801 HydrophobicContact CG-CE2 4.3Å; K750-F801 HydrophobicContact CG-CZ 3.77Å |
| 751 | I | 87.9 | Confident | 83.8 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.6 | -40.4 | 175.3 | -68.8 | 165.9 | 0 | 0 | 0 | 110.4 | V723 A747 K748 E753 E754 G755 A768 I769 I773 F801 | V723-I751 HydrophobicContact CG1-CB 4.17Å; V723-I751 HydrophobicContact CG1-CG2 3.86Å; V723-I751 HydrophobicContact CG2-CG2 3.99Å; A747-I751 VanDerWaalsContact O-CG1 3.25Å; A747-I751 WeakPolarHBondContact O-CG1 3.26Å; A747-I751 PolarHBondContact O-N 2.83Å; K748-I751 PolarHBondContact O-N 3.26Å; I751-E753 VanDerWaalsContact C-N 3.35Å; I751-E754 PolarHBondContact O-N 2.99Å; I751-G755 PolarHBondContact O-N 3.37Å; I751-A768 HydrophobicContact CG2-CB 4.18Å; I751-I769 HydrophobicContact CG2-CD1 4.49Å; I751-I769 HydrophobicContact CG2-CG1 3.68Å; I751-I773 HydrophobicContact CD1-CD1 3.79Å; I751-I773 HydrophobicContact CD1-CG1 4.23Å; I751-F801 HydrophobicContact CD1-CE1 4.38Å; I751-F801 HydrophobicContact CG1-CE1 4.06Å; I751-F801 HydrophobicContact CG1-CZ 3.92Å |
| 752 | A | 86.8 | Confident | 83.6 | Confident | 8 Ų | 8 | 55.9 Ų | 55.9 | 7% | 0.066 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64 | -39 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L719 V723 K748 D749 K750 Y756 | L719-A752 HydrophobicContact CB-CB 4.26Å; V723-A752 HydrophobicContact CG2-CB 4.11Å; K748-A752 WeakPolarHBondContact O-CB 3.22Å; K748-A752 PolarHBondContact O-N 2.89Å; D749-A752 PolarHBondContact O-N 2.9Å; K750-A752 VanDerWaalsContact C-N 3.29Å; K750-A752 PolarHBondContact O-N 3.17Å; A752-Y756 WeakPolarHBondContact O-CB 3.35Å; A752-Y756 PolarHBondContact O-N 3.15Å; A752-Y756 VanDerWaalsContact O-N 3.08Å |
| 753 | E | 84.8 | Confident | 83.3 | Confident | 116 Ų | 116 | 59 Ų | 59 | 54% | 0.542 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.3 | -44.9 | 174.4 | -73.9 | -176.9 | 168.4 | 0 | 0 | 113.1 | D749 K750 I751 | D749-E753 WeakPolarHBondContact O-CG 3.4Å; D749-E753 PolarHBondContact O-N 3.44Å; K750-E753 IonicContact NZ-OE2 2.68Å; K750-E753 PolarHBondContact O-N 3.32Å; I751-E753 VanDerWaalsContact C-N 3.35Å |
| 754 | E | 82.9 | Confident | 83.2 | Confident | 109 Ų | 109 | 60.1 Ų | 60.1 | 51% | 0.509 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -71.6 | -31.8 | -178.9 | -73.2 | -171.1 | 177.4 | 0 | 0 | 113 | K750 I751 | K750-E754 WeakPolarHBondContact CE-OE1 3.33Å; K750-E754 PolarHBondContact O-N 3.06Å; I751-E754 PolarHBondContact O-N 2.99Å |
| 755 | G | 77.7 | Confident | 83 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 3.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | I751 P764 | I751-G755 PolarHBondContact O-N 3.37Å; G755-P764 WeakPolarHBondContact O-CB 3.26Å |
| 756 | Y | 78.8 | Confident | 82.8 | Confident | 80 Ų | 80 | 59.2 Ų | 59.2 | 31% | 0.314 | 28% | 0.282 | S | S | . | . | trans | -89.6 | 114.6 | 172.6 | 179.5 | -112.9 | 0 | 0 | 0 | 111.3 | L719 A752 P758 | L719-Y756 HydrophobicContact CD1-CD2 3.14Å; L719-Y756 HydrophobicContact CD1-CE2 3.6Å; L719-Y756 HydrophobicContact CD1-CG 3.68Å; L719-Y756 HydrophobicContact CD2-CD2 4.02Å; L719-Y756 HydrophobicContact CG-CD2 4.21Å; A752-Y756 WeakPolarHBondContact O-CB 3.35Å; A752-Y756 PolarHBondContact O-N 3.15Å; A752-Y756 VanDerWaalsContact O-N 3.08Å; Y756-P758 HydrophobicContact CD1-CG 4.48Å; Y756-P758 HydrophobicContact CE1-CG 3.82Å | ||
| 757 | D | 77.4 | Confident | 82.7 | Confident | 54 Ų | 54 | 61.9 Ų | 61.9 | 29% | 0.289 | 29% | 0.288 | S | S | . | . | B | Isolated β-bridge | trans | -118.7 | 121.3 | 166.6 | -168.6 | -38.8 | 0 | 0 | 0 | 109 | E759 Y760 G761 P764 | D757-E759 PolarHBondContact O-N 3.37Å; D757-E759 WeakPolarHBondContact OD1-CB 3.23Å; D757-E759 PolarHBondContact OD1-N 3.08Å; D757-Y760 HydrophobicContact CB-CD2 4.1Å; D757-Y760 PolarHBondContact O-N 3.03Å; D757-Y760 WeakPolarHBondContact OD2-CD2 3.32Å; D757-G761 WeakPolarHBondContact O-CA 3.44Å; D757-G761 PolarHBondContact O-N 3.3Å; D757-P764 HydrophobicContact CB-CG 4.12Å |
| 758 | P | 71.7 | Confident | 82.7 | Confident | 71 Ų | 71 | 62.4 Ų | 62.4 | 46% | 0.461 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -24.6 | 176.1 | -26.1 | 34.2 | 0 | 0 | 0 | 114.9 | Y756 | Y756-P758 HydrophobicContact CD1-CG 4.48Å; Y756-P758 HydrophobicContact CE1-CG 3.82Å |
| 759 | E | 69.9 | Low | 82.6 | Confident | 100 Ų | 100 | 61.6 Ų | 61.6 | 47% | 0.467 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -40.8 | 177.9 | -59.3 | -168.3 | 162.4 | 0 | 0 | 112.9 | T547 D757 | T547-E759 PolarHBondContact OG1-O 2.83Å; D757-E759 PolarHBondContact O-N 3.37Å; D757-E759 WeakPolarHBondContact OD1-CB 3.23Å; D757-E759 PolarHBondContact OD1-N 3.08Å |
| 760 | Y | 76.2 | Confident | 82.7 | Confident | 115 Ų | 115 | 62.9 Ų | 62.9 | 45% | 0.451 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -1.5 | -174.1 | -59.3 | -78.2 | 0 | 0 | 0 | 114.1 | T547 G548 D757 R763 | T547-Y760 CarbonylContact O-C 3.42Å; G548-Y760 WeakPolarHBondContact CA-O 3.44Å; D757-Y760 HydrophobicContact CB-CD2 4.1Å; D757-Y760 PolarHBondContact O-N 3.03Å; D757-Y760 WeakPolarHBondContact OD2-CD2 3.32Å; Y760-R763 WeakPolarHBondContact O-CB 3.26Å; Y760-R763 WeakPolarHBondContact O-CG 3.49Å; Y760-R763 PolarHBondContact O-N 3.25Å |
| 761 | G | 81 | Confident | 82.8 | Confident | 9 Ų | 9 | 67.1 Ų | 67.1 | 9% | 0.093 | 31% | 0.311 | C | S | . | . | B | Isolated β-bridge | trans | 61.2 | -133.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112 | D757 R763 P764 | D757-G761 WeakPolarHBondContact O-CA 3.44Å; D757-G761 PolarHBondContact O-N 3.3Å; G761-R763 VanDerWaalsContact C-N 3.31Å; G761-R763 PolarHBondContact O-N 2.92Å; G761-P764 WeakPolarHBondContact O-CD 3.39Å |
| 762 | A | 82.9 | Confident | 82.7 | Confident | 12 Ų | 12 | 67.5 Ų | 67.5 | 10% | 0.099 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 0.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | G548 L714 L719 I722 P764 L765 | G548-A762 WeakPolarHBondContact O-CB 3.49Å; G548-A762 PolarHBondContact O-N 3.36Å; L714-A762 HydrophobicContact CD1-CB 3.58Å; L719-A762 HydrophobicContact CD2-CB 4.09Å; I722-A762 HydrophobicContact CD1-CB 4.36Å; A762-P764 VanDerWaalsContact C-CD 3.5Å; A762-L765 HydrophobicContact CB-CD1 3.61Å; A762-L765 HydrophobicContact CB-CG 4.26Å; A762-L765 VanDerWaalsContact O-CB 3.28Å; A762-L765 WeakPolarHBondContact O-CB 3.23Å; A762-L765 WeakPolarHBondContact O-CG 3.4Å; A762-L765 PolarHBondContact O-N 2.76Å; A762-L765 VanDerWaalsContact O-N 3.14Å |
| 763 | R | 81.2 | Confident | 82.6 | Confident | 141 Ų | 141 | 67.2 Ų | 67.2 | 53% | 0.532 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -41.4 | -177.9 | -75.9 | 176.2 | 171.3 | -176.3 | -1.4 | 113.7 | Y760 G761 L765 | Y760-R763 WeakPolarHBondContact O-CB 3.26Å; Y760-R763 WeakPolarHBondContact O-CG 3.49Å; Y760-R763 PolarHBondContact O-N 3.25Å; G761-R763 VanDerWaalsContact C-N 3.31Å; G761-R763 PolarHBondContact O-N 2.92Å; R763-L765 PolarHBondContact O-N 3.17Å |
| 764 | P | 87.4 | Confident | 82.8 | Confident | 36 Ų | 36 | 64.2 Ų | 64.2 | 23% | 0.234 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -71.2 | -13.8 | -179.6 | -16.8 | 31.5 | 0 | 0 | 0 | 114.1 | G755 D757 G761 A762 I766 R767 A768 | G755-P764 WeakPolarHBondContact O-CB 3.26Å; D757-P764 HydrophobicContact CB-CG 4.12Å; G761-P764 WeakPolarHBondContact O-CD 3.39Å; A762-P764 VanDerWaalsContact C-CD 3.5Å; P764-I766 VanDerWaalsContact C-N 3.3Å; P764-I766 PolarHBondContact O-N 3.15Å; P764-R767 WeakPolarHBondContact O-CB 3.19Å; P764-R767 PolarHBondContact O-N 3.34Å; P764-A768 PolarHBondContact O-N 3.25Å |
| 765 | L | 86.7 | Confident | 83.1 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.8 | -40.4 | -178.5 | -66.9 | 177.5 | 0 | 0 | 0 | 112.7 | L719 I722 V723 M726 A762 R763 R767 A768 I769 | L719-L765 HydrophobicContact CD2-CD1 4.03Å; I722-L765 HydrophobicContact CB-CD1 4.27Å; I722-L765 HydrophobicContact CG2-CD1 3.69Å; V723-L765 HydrophobicContact CG2-CD1 4.13Å; V723-L765 HydrophobicContact CG2-CD2 3.75Å; V723-L765 HydrophobicContact CG2-CG 4.45Å; M726-L765 HydrophobicContact CE-CB 4.5Å; M726-L765 HydrophobicContact SD-CB 4.04Å; A762-L765 HydrophobicContact CB-CD1 3.61Å; A762-L765 HydrophobicContact CB-CG 4.26Å; A762-L765 VanDerWaalsContact O-CB 3.28Å; A762-L765 WeakPolarHBondContact O-CB 3.23Å; A762-L765 WeakPolarHBondContact O-CG 3.4Å; A762-L765 PolarHBondContact O-N 2.76Å; A762-L765 VanDerWaalsContact O-N 3.14Å; R763-L765 PolarHBondContact O-N 3.17Å; L765-R767 VanDerWaalsContact C-N 3.29Å; L765-R767 PolarHBondContact O-N 3.46Å; L765-A768 WeakPolarHBondContact O-CB 3.49Å; L765-A768 PolarHBondContact O-N 3.29Å; L765-I769 WeakPolarHBondContact O-CG1 3.49Å; L765-I769 PolarHBondContact O-N 2.98Å |
| 766 | I | 84.4 | Confident | 83.5 | Confident | 108 Ų | 108 | 64.5 Ų | 64.5 | 55% | 0.554 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -60.6 | -44.3 | 178 | -63.3 | 174.5 | 0 | 0 | 0 | 109.9 | M726 P764 I769 Q770 | M726-I766 HydrophobicContact CE-CD1 4.22Å; M726-I766 HydrophobicContact CE-CG1 3.69Å; M726-I766 HydrophobicContact SD-CG1 3.83Å; P764-I766 VanDerWaalsContact C-N 3.3Å; P764-I766 PolarHBondContact O-N 3.15Å; I766-I769 PolarHBondContact O-N 2.8Å; I766-Q770 WeakPolarHBondContact O-CB 3.49Å; I766-Q770 PolarHBondContact O-N 3.23Å |
| 767 | R | 86.5 | Confident | 83.8 | Confident | 193 Ų | 193 | 61 Ų | 61 | 73% | 0.728 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -68.3 | -36.1 | 178.4 | -169.8 | 175.6 | -176 | 171.5 | 1.6 | 111.9 | P764 L765 Q770 K771 | P764-R767 WeakPolarHBondContact O-CB 3.19Å; P764-R767 PolarHBondContact O-N 3.34Å; L765-R767 VanDerWaalsContact C-N 3.29Å; L765-R767 PolarHBondContact O-N 3.46Å; R767-Q770 PolarHBondContact O-N 3.41Å; R767-K771 VanDerWaalsContact O-CB 3.3Å; R767-K771 WeakPolarHBondContact O-CB 3.49Å; R767-K771 PolarHBondContact O-N 3.14Å |
| 768 | A | 88.2 | Confident | 84.2 | Confident | 12 Ų | 12 | 61.3 Ų | 61.3 | 10% | 0.099 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.4 | -46.6 | 174 | 0 | 0 | 0 | 0 | 0 | 110.7 | I751 P764 L765 K771 T772 | I751-A768 HydrophobicContact CG2-CB 4.18Å; P764-A768 PolarHBondContact O-N 3.25Å; L765-A768 WeakPolarHBondContact O-CB 3.49Å; L765-A768 PolarHBondContact O-N 3.29Å; A768-K771 PolarHBondContact O-N 3.44Å; A768-T772 VanDerWaalsContact O-CB 3.29Å; A768-T772 WeakPolarHBondContact O-CB 3.45Å; A768-T772 VanDerWaalsContact O-CG2 3.28Å; A768-T772 WeakPolarHBondContact O-CG2 3.41Å; A768-T772 PolarHBondContact O-N 2.67Å; A768-T772 PolarHBondContact O-OG1 3.36Å |
| 769 | I | 88.6 | Confident | 85 | Confident | 8 Ų | 8 | 63.5 Ų | 63.5 | 4% | 0.041 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 175.5 | -70.2 | 163.3 | 0 | 0 | 0 | 111.3 | V723 M726 L730 I751 L765 I766 I773 E774 | V723-I769 HydrophobicContact CG1-CD1 4.5Å; M726-I769 HydrophobicContact CB-CD1 3.45Å; M726-I769 VanDerWaalsContact CB-CD1 3.45Å; M726-I769 HydrophobicContact CG-CD1 4.25Å; M726-I769 HydrophobicContact SD-CD1 3.82Å; L730-I769 HydrophobicContact CD2-CG2 3.99Å; I751-I769 HydrophobicContact CG2-CD1 4.49Å; I751-I769 HydrophobicContact CG2-CG1 3.68Å; L765-I769 WeakPolarHBondContact O-CG1 3.49Å; L765-I769 PolarHBondContact O-N 2.98Å; I766-I769 PolarHBondContact O-N 2.8Å; I769-I773 HydrophobicContact CG2-CB 4.47Å; I769-I773 HydrophobicContact CG2-CD1 4.34Å; I769-I773 WeakPolarHBondContact O-CA 3.06Å; I769-I773 WeakPolarHBondContact O-CB 3.08Å; I769-I773 PolarHBondContact O-N 3.41Å; I769-E774 PolarHBondContact O-N 2.82Å |
| 770 | Q | 88.6 | Confident | 85.6 | Confident | 91 Ų | 91 | 60.3 Ų | 60.3 | 43% | 0.425 | 29% | 0.285 | S | S | . | . | I | π-helix | trans | -60.4 | -51.9 | 177.4 | -175.3 | 175.8 | 8.8 | 0 | 0 | 110.9 | I766 R767 T772 E774 D775 | I766-Q770 WeakPolarHBondContact O-CB 3.49Å; I766-Q770 PolarHBondContact O-N 3.23Å; R767-Q770 PolarHBondContact O-N 3.41Å; Q770-T772 PolarHBondContact O-N 3.22Å; Q770-E774 HydrophobicContact CG-CB 4.28Å; Q770-E774 WeakPolarHBondContact O-CB 3.41Å; Q770-E774 PolarHBondContact O-N 3.31Å; Q770-E774 VanDerWaalsContact O-N 3.08Å; Q770-D775 PolarHBondContact O-N 2.92Å |
| 771 | K | 88.4 | Confident | 85.9 | Confident | 146 Ų | 146 | 58.4 Ų | 58.4 | 64% | 0.635 | 28% | 0.282 | S | S | * | . | I | π-helix | trans | -66.5 | -36.8 | -178.1 | -169.9 | -176.5 | 176.9 | -167.2 | 0 | 113.4 | R767 A768 D775 | R767-K771 VanDerWaalsContact O-CB 3.3Å; R767-K771 WeakPolarHBondContact O-CB 3.49Å; R767-K771 PolarHBondContact O-N 3.14Å; A768-K771 PolarHBondContact O-N 3.44Å; K771-D775 WeakPolarHBondContact CA-OD2 3.48Å |
| 772 | T | 86.2 | Confident | 86 | Confident | 9 Ų | 9 | 65 Ų | 65 | 6% | 0.055 | 31% | 0.314 | C | S | . | . | I | π-helix | trans | -86.1 | -43.5 | -177.4 | 56.9 | 0 | 0 | 0 | 0 | 111.6 | A768 Q770 N776 F801 Y803 | A768-T772 VanDerWaalsContact O-CB 3.29Å; A768-T772 WeakPolarHBondContact O-CB 3.45Å; A768-T772 VanDerWaalsContact O-CG2 3.28Å; A768-T772 WeakPolarHBondContact O-CG2 3.41Å; A768-T772 PolarHBondContact O-N 2.67Å; A768-T772 PolarHBondContact O-OG1 3.36Å; Q770-T772 PolarHBondContact O-N 3.22Å; T772-N776 PolarHBondContact O-ND2 3.43Å; T772-F801 HydrophobicContact CG2-CD2 4.1Å; T772-F801 HydrophobicContact CG2-CE2 3.51Å; T772-F801 HydrophobicContact CG2-CZ 3.92Å; T772-Y803 PolarHBondContact O-OH 3.38Å |
| 773 | I | 86.1 | Confident | 86 | Confident | 1 Ų | 1 | 70.7 Ų | 70.7 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | I | π-helix | trans | -102.2 | -57.7 | -172.9 | -58.9 | 178.3 | 0 | 0 | 0 | 111.2 | V727 L730 V743 I751 I769 L777 | V727-I773 HydrophobicContact CG2-CD1 4.09Å; L730-I773 HydrophobicContact CD2-CB 4.25Å; L730-I773 HydrophobicContact CD2-CG2 3.69Å; V743-I773 HydrophobicContact CG1-CD1 4.4Å; V743-I773 HydrophobicContact CG2-CD1 3.82Å; I751-I773 HydrophobicContact CD1-CD1 3.79Å; I751-I773 HydrophobicContact CD1-CG1 4.23Å; I769-I773 HydrophobicContact CG2-CB 4.47Å; I769-I773 HydrophobicContact CG2-CD1 4.34Å; I769-I773 WeakPolarHBondContact O-CA 3.06Å; I769-I773 WeakPolarHBondContact O-CB 3.08Å; I769-I773 PolarHBondContact O-N 3.41Å; I773-L777 HydrophobicContact CG2-CD1 3.57Å; I773-L777 HydrophobicContact CG2-CG 4.32Å; I773-L777 VanDerWaalsContact O-CB 3.32Å; I773-L777 WeakPolarHBondContact O-CB 3.3Å; I773-L777 WeakPolarHBondContact O-CG 3.35Å; I773-L777 PolarHBondContact O-N 3.16Å |
| 774 | E | 87.8 | Confident | 85.6 | Confident | 53 Ų | 53 | 66.8 Ų | 66.8 | 25% | 0.248 | 35% | 0.347 | C | S | . | . | I | π-helix | trans | -65.7 | -45.6 | -172 | -62 | -174.4 | 177.3 | 0 | 0 | 112.4 | L730 R733 I769 Q770 L777 S778 | L730-E774 HydrophobicContact CD1-CG 3.93Å; L730-E774 WeakPolarHBondContact CD1-OE1 3.44Å; L730-E774 HydrophobicContact CD2-CG 3.91Å; R733-E774 IonicContact NH2-OE1 2.73Å; R733-E774 PolarHBondContact NH2-OE1 3.06Å; R733-E774 VanDerWaalsContact NH2-OE1 3.15Å; I769-E774 PolarHBondContact O-N 2.82Å; Q770-E774 HydrophobicContact CG-CB 4.28Å; Q770-E774 WeakPolarHBondContact O-CB 3.41Å; Q770-E774 PolarHBondContact O-N 3.31Å; Q770-E774 VanDerWaalsContact O-N 3.08Å; E774-L777 PolarHBondContact O-N 3.18Å; E774-S778 VanDerWaalsContact O-CB 3.31Å; E774-S778 WeakPolarHBondContact O-CB 3.23Å; E774-S778 PolarHBondContact O-N 2.99Å; E774-S778 PolarHBondContact O-OG 2.95Å |
| 775 | D | 89.6 | Confident | 84.9 | Confident | 70 Ų | 70 | 68.6 Ų | 68.6 | 37% | 0.374 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.9 | -48.5 | 179.9 | -70.8 | -6.9 | 0 | 0 | 0 | 110.5 | Q770 K771 L777 S778 E779 | Q770-D775 PolarHBondContact O-N 2.92Å; K771-D775 WeakPolarHBondContact CA-OD2 3.48Å; D775-L777 PolarHBondContact O-N 3.1Å; D775-S778 WeakPolarHBondContact O-CB 3.21Å; D775-S778 PolarHBondContact O-N 3.47Å; D775-E779 WeakPolarHBondContact O-CG 3.45Å; D775-E779 PolarHBondContact O-N 2.81Å |
| 776 | N | 86.4 | Confident | 84 | Confident | 46 Ų | 46 | 75.8 Ų | 75.8 | 25% | 0.246 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66.5 | -38.1 | 179.8 | -72.3 | -23.5 | 0 | 0 | 0 | 112.8 | T772 S778 E779 L780 Y803 | T772-N776 PolarHBondContact O-ND2 3.43Å; N776-S778 VanDerWaalsContact C-N 3.34Å; N776-E779 PolarHBondContact O-N 2.77Å; N776-L780 VanDerWaalsContact O-CG 3.28Å; N776-L780 WeakPolarHBondContact O-CG 3.49Å; N776-L780 PolarHBondContact O-N 3.48Å; N776-Y803 HydrophobicContact CB-CE1 4.02Å; N776-Y803 HydrophobicContact CB-CE2 3.85Å; N776-Y803 PolarHBondContact ND2-OH 2.95Å |
| 777 | L | 85.5 | Confident | 83.5 | Confident | 7 Ų | 7 | 70.9 Ų | 70.9 | 4% | 0.037 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.8 | -39.1 | 172.9 | -73.6 | 172.3 | 0 | 0 | 0 | 111.6 | L734 I741 I773 E774 D775 L780 I781 V792 Y803 | L734-L777 HydrophobicContact CD1-CD1 4.13Å; I741-L777 HydrophobicContact CD1-CD1 3.37Å; I741-L777 HydrophobicContact CG1-CD1 4.11Å; I773-L777 HydrophobicContact CG2-CD1 3.57Å; I773-L777 HydrophobicContact CG2-CG 4.32Å; I773-L777 VanDerWaalsContact O-CB 3.32Å; I773-L777 WeakPolarHBondContact O-CB 3.3Å; I773-L777 WeakPolarHBondContact O-CG 3.35Å; I773-L777 PolarHBondContact O-N 3.16Å; E774-L777 PolarHBondContact O-N 3.18Å; D775-L777 PolarHBondContact O-N 3.1Å; L777-L780 PolarHBondContact O-N 3.19Å; L777-I781 VanDerWaalsContact O-CG1 3.23Å; L777-I781 WeakPolarHBondContact O-CG1 3.23Å; L777-I781 PolarHBondContact O-N 2.94Å; L777-V792 HydrophobicContact CD2-CB 4.45Å; L777-V792 HydrophobicContact CD2-CG1 3.9Å; L777-V792 HydrophobicContact CD2-CG2 4.45Å; L777-Y803 HydrophobicContact CD2-CD1 4.46Å |
| 778 | S | 85.7 | Confident | 82.9 | Confident | 59 Ų | 59 | 68.8 Ų | 68.8 | 41% | 0.413 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.8 | -43 | 176.7 | -59.2 | 0 | 0 | 0 | 0 | 111.3 | E774 D775 N776 I781 L782 | E774-S778 VanDerWaalsContact O-CB 3.31Å; E774-S778 WeakPolarHBondContact O-CB 3.23Å; E774-S778 PolarHBondContact O-N 2.99Å; E774-S778 PolarHBondContact O-OG 2.95Å; D775-S778 WeakPolarHBondContact O-CB 3.21Å; D775-S778 PolarHBondContact O-N 3.47Å; N776-S778 VanDerWaalsContact C-N 3.34Å; S778-I781 PolarHBondContact O-N 3.15Å; S778-L782 WeakPolarHBondContact O-CB 3.44Å; S778-L782 VanDerWaalsContact O-CG 3.25Å; S778-L782 WeakPolarHBondContact O-CG 3.27Å; S778-L782 PolarHBondContact O-N 3.45Å |
| 779 | E | 86.7 | Confident | 82.3 | Confident | 117 Ų | 117 | 69.9 Ų | 69.9 | 55% | 0.547 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.9 | -46.2 | 173.2 | -73.5 | -176.5 | -179.9 | 0 | 0 | 111.6 | D775 N776 I781 L782 D783 | D775-E779 WeakPolarHBondContact O-CG 3.45Å; D775-E779 PolarHBondContact O-N 2.81Å; N776-E779 PolarHBondContact O-N 2.77Å; E779-I781 VanDerWaalsContact C-N 3.33Å; E779-I781 PolarHBondContact O-N 3.43Å; E779-L782 PolarHBondContact O-N 2.56Å; E779-L782 VanDerWaalsContact O-N 3.17Å; E779-D783 WeakPolarHBondContact O-CB 3.35Å; E779-D783 PolarHBondContact O-N 3.44Å |
| 780 | L | 83.3 | Confident | 81.9 | Confident | 34 Ų | 34 | 72 Ų | 72 | 18% | 0.178 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.6 | -37.6 | 177.8 | -69.9 | 168.7 | 0 | 0 | 0 | 113 | N776 L777 N785 I787 Y803 | N776-L780 VanDerWaalsContact O-CG 3.28Å; N776-L780 WeakPolarHBondContact O-CG 3.49Å; N776-L780 PolarHBondContact O-N 3.48Å; L777-L780 PolarHBondContact O-N 3.19Å; L780-N785 WeakPolarHBondContact CD2-ND2 2.95Å; L780-N785 WeakPolarHBondContact O-CB 3.41Å; L780-N785 PolarHBondContact O-N 3.23Å; L780-I787 HydrophobicContact CB-CD1 3.47Å; L780-I787 VanDerWaalsContact CB-CD1 3.47Å; L780-I787 HydrophobicContact CD1-CD1 4.44Å; L780-Y803 HydrophobicContact CD1-CD1 4.37Å; L780-Y803 HydrophobicContact CD1-CG 4Å |
| 781 | I | 82.9 | Confident | 81.7 | Confident | 75 Ų | 75 | 71.6 Ų | 71.6 | 39% | 0.385 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.4 | -43.1 | 175.3 | -67.8 | 165.9 | 0 | 0 | 0 | 110.1 | I739 L777 S778 E779 G784 I787 | I739-I781 HydrophobicContact CD1-CD1 3.94Å; L777-I781 VanDerWaalsContact O-CG1 3.23Å; L777-I781 WeakPolarHBondContact O-CG1 3.23Å; L777-I781 PolarHBondContact O-N 2.94Å; S778-I781 PolarHBondContact O-N 3.15Å; E779-I781 VanDerWaalsContact C-N 3.33Å; E779-I781 PolarHBondContact O-N 3.43Å; I781-G784 PolarHBondContact O-N 2.87Å; I781-I787 HydrophobicContact CG1-CD1 3.71Å |
| 782 | L | 83.3 | Confident | 81.5 | Confident | 147 Ų | 147 | 64.7 Ų | 64.7 | 77% | 0.77 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -70.1 | -31.9 | 180 | -71.6 | 171.6 | 0 | 0 | 0 | 113.2 | S778 E779 G784 | S778-L782 WeakPolarHBondContact O-CB 3.44Å; S778-L782 VanDerWaalsContact O-CG 3.25Å; S778-L782 WeakPolarHBondContact O-CG 3.27Å; S778-L782 PolarHBondContact O-N 3.45Å; E779-L782 PolarHBondContact O-N 2.56Å; E779-L782 VanDerWaalsContact O-N 3.17Å; L782-G784 PolarHBondContact O-N 3.38Å |
| 783 | D | 82.4 | Confident | 81.6 | Confident | 131 Ų | 131 | 66 Ų | 66 | 70% | 0.701 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -4.9 | 173.7 | -80.2 | -14.7 | 0 | 0 | 0 | 113.1 | E779 | E779-D783 WeakPolarHBondContact O-CB 3.35Å; E779-D783 PolarHBondContact O-N 3.44Å |
| 784 | G | 72.4 | Confident | 81.7 | Confident | 59 Ų | 59 | 66 Ų | 66 | 61% | 0.608 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.6 | 14.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | I781 L782 Q786 | I781-G784 PolarHBondContact O-N 2.87Å; L782-G784 PolarHBondContact O-N 3.38Å; G784-Q786 PolarHBondContact O-N 3.18Å |
| 785 | N | 72.6 | Confident | 81.8 | Confident | 74 Ų | 74 | 65.9 Ų | 65.9 | 40% | 0.396 | 36% | 0.359 | S | S | . | . | trans | -69.8 | 120.3 | 170.7 | -66.4 | -47.1 | 0 | 0 | 0 | 109.2 | L780 I787 I805 | L780-N785 WeakPolarHBondContact CD2-ND2 2.95Å; L780-N785 WeakPolarHBondContact O-CB 3.41Å; L780-N785 PolarHBondContact O-N 3.23Å; N785-I787 HydrophobicContact CB-CG1 4.41Å; N785-I787 PolarHBondContact O-N 3.48Å; N785-I805 HydrophobicContact CB-CD1 4.29Å | ||
| 786 | Q | 68.2 | Low | 81.6 | Confident | 152 Ų | 152 | 63.6 Ų | 63.6 | 71% | 0.71 | 35% | 0.346 | S | S | * | . | trans | -67.9 | 95.5 | 173.6 | -77.5 | -176.3 | -17.3 | 0 | 0 | 109.8 | G784 K790 | G784-Q786 PolarHBondContact O-N 3.18Å; Q786-K790 WeakPolarHBondContact O-CD 3.45Å; Q786-K790 WeakPolarHBondContact O-CE 3.35Å; Q786-K790 PolarHBondContact O-NZ 3.41Å | ||
| 787 | I | 73.7 | Confident | 81.2 | Confident | 4 Ų | 4 | 66.4 Ų | 66.4 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | trans | -94.1 | -25.5 | 176 | -66.6 | 164.2 | 0 | 0 | 0 | 111.3 | I739 L780 I781 N785 G789 K790 V792 I805 | I739-I787 HydrophobicContact CB-CG2 4.47Å; I739-I787 HydrophobicContact CD1-CG2 4.21Å; I739-I787 HydrophobicContact CG1-CG2 4.09Å; I739-I787 HydrophobicContact CG2-CG2 3.7Å; L780-I787 HydrophobicContact CB-CD1 3.47Å; L780-I787 VanDerWaalsContact CB-CD1 3.47Å; L780-I787 HydrophobicContact CD1-CD1 4.44Å; I781-I787 HydrophobicContact CG1-CD1 3.71Å; N785-I787 HydrophobicContact CB-CG1 4.41Å; N785-I787 PolarHBondContact O-N 3.48Å; I787-G789 PolarHBondContact O-N 3.11Å; I787-K790 WeakPolarHBondContact O-CB 3.42Å; I787-K790 PolarHBondContact O-N 3.48Å; I787-V792 HydrophobicContact CG2-CG2 3.45Å; I787-V792 VanDerWaalsContact CG2-CG2 3.45Å; I787-I805 HydrophobicContact CG1-CD1 4Å | ||
| 788 | E | 75.1 | Confident | 80.6 | Confident | 149 Ų | 149 | 69 Ų | 69 | 70% | 0.696 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 127.7 | 176.3 | -65.9 | -177.5 | -177.7 | 0 | 0 | 111.1 | K790 | E788-K790 PolarHBondContact O-N 3.02Š|
| 789 | G | 75.5 | Confident | 80.1 | Confident | 35 Ų | 35 | 75.3 Ų | 75.3 | 36% | 0.361 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | -5.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115 | N738 I787 Q808 | N738-G789 WeakPolarHBondContact O-CA 3.43Å; N738-G789 PolarHBondContact O-N 3.17Å; I787-G789 PolarHBondContact O-N 3.11Å; G789-Q808 VanDerWaalsContact O-CD 3.3Å; G789-Q808 WeakPolarHBondContact O-CG 3.43Å |
| 790 | K | 79.8 | Confident | 79.9 | Confident | 52 Ų | 52 | 77 Ų | 77 | 23% | 0.226 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 165.9 | 178.5 | -64.2 | -166.9 | -167.7 | 153.4 | 0 | 111.8 | N740 Q786 I787 E788 I805 A806 | N740-K790 PolarHBondContact N-O 3.47Å; Q786-K790 WeakPolarHBondContact O-CD 3.45Å; Q786-K790 WeakPolarHBondContact O-CE 3.35Å; Q786-K790 PolarHBondContact O-NZ 3.41Å; I787-K790 WeakPolarHBondContact O-CB 3.42Å; I787-K790 PolarHBondContact O-N 3.48Å; E788-K790 PolarHBondContact O-N 3.02Å; K790-I805 HydrophobicContact CB-CG2 3.82Å; K790-I805 HydrophobicContact CD-CG2 3.46Å; K790-I805 VanDerWaalsContact CD-CG2 3.46Å; K790-I805 HydrophobicContact CG-CG2 4.28Å; K790-A806 WeakPolarHBondContact CB-O 3.3Å |
| 791 | K | 83.4 | Confident | 80 | Confident | 84 Ų | 84 | 77 Ų | 77 | 37% | 0.365 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 117.2 | 175.3 | -173.9 | 179.4 | -178.9 | 177 | 0 | 108.2 | N740 I742 A806 Q808 | N740-K791 CarbonylContact O-C 3.51Å; N740-K791 WeakPolarHBondContact O-CA 3.38Å; I742-K791 HydrophobicContact CD1-CD 4.44Å; K791-A806 PolarHBondContact N-O 2.82Å; K791-A806 PolarHBondContact O-N 2.94Å; K791-Q808 HydrophobicContact CB-CG 4.32Å |
| 792 | V | 85.3 | Confident | 80 | Confident | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 120.8 | 177.4 | -173.5 | 0 | 0 | 0 | 0 | 109 | N740 I741 I742 L777 I787 Y803 D804 I805 | N740-V792 PolarHBondContact O-N 3.41Å; I741-V792 CarbonylContact C-O 3.49Å; I741-V792 VanDerWaalsContact CA-O 3.31Å; I741-V792 WeakPolarHBondContact CA-O 3.28Å; I741-V792 HydrophobicContact CG1-CB 4.12Å; I742-V792 PolarHBondContact N-O 2.88Å; L777-V792 HydrophobicContact CD2-CB 4.45Å; L777-V792 HydrophobicContact CD2-CG1 3.9Å; L777-V792 HydrophobicContact CD2-CG2 4.45Å; I787-V792 HydrophobicContact CG2-CG2 3.45Å; I787-V792 VanDerWaalsContact CG2-CG2 3.45Å; V792-Y803 HydrophobicContact CG1-CD1 4.42Å; V792-D804 CarbonylContact C-O 3.09Å; V792-D804 WeakPolarHBondContact CA-O 3.32Å; V792-I805 HydrophobicContact CG2-CG1 4.44Å |
| 793 | T | 88.6 | Confident | 80.1 | Confident | 38 Ų | 38 | 73.4 Ų | 73.4 | 23% | 0.233 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 120.9 | 176 | -52.3 | 0 | 0 | 0 | 0 | 109.4 | I742 T744 Y803 D804 | I742-T793 CarbonylContact O-C 3.48Å; I742-T793 VanDerWaalsContact O-CA 3.28Å; I742-T793 WeakPolarHBondContact O-CA 3.29Å; T744-T793 HydrophobicContact CG2-CG2 4.1Å; T793-Y803 WeakPolarHBondContact O-CA 3.32Å; T793-D804 PolarHBondContact N-O 3.22Å; T793-D804 PolarHBondContact O-N 2.98Å |
| 794 | V | 87.9 | Confident | 80 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 114.2 | 177.7 | -173.6 | 0 | 0 | 0 | 0 | 109 | I741 I742 V743 T744 A747 F801 K802 Y803 | I741-V794 HydrophobicContact CG2-CG2 4Å; I742-V794 PolarHBondContact O-N 3.25Å; V743-V794 HydrophobicContact CB-CB 4.5Å; V743-V794 HydrophobicContact CG1-CB 4.31Å; V743-V794 HydrophobicContact CG2-CB 4.19Å; V743-V794 HydrophobicContact CG2-CG2 4.31Å; T744-V794 WeakPolarHBondContact CG2-O 3.08Å; T744-V794 PolarHBondContact N-O 3.45Å; T744-V794 PolarHBondContact OG1-O 3.38Å; A747-V794 HydrophobicContact CB-CG1 4.34Å; V794-F801 HydrophobicContact CG1-CD1 4.29Å; V794-K802 WeakPolarHBondContact CA-O 3.34Å; V794-Y803 HydrophobicContact CB-CE1 4.42Å; V794-Y803 HydrophobicContact CG1-CD1 4.38Å; V794-Y803 HydrophobicContact CG1-CE1 3.85Å; V794-Y803 HydrophobicContact CG2-CD1 3.81Å; V794-Y803 HydrophobicContact CG2-CE1 3.8Å |
| 795 | D | 89 | Confident | 80.4 | Confident | 51 Ų | 51 | 72.1 Ų | 72.1 | 27% | 0.273 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 165.4 | 176.5 | -161 | 6.8 | 0 | 0 | 0 | 111.7 | T744 F801 K802 | T744-D795 HydrophobicContact CG2-CB 3.93Å; T744-D795 WeakPolarHBondContact OG1-CA 3.29Å; T744-D795 PolarHBondContact OG1-OD1 3.37Å; D795-F801 CarbonylContact O-C 3.59Å; D795-F801 WeakPolarHBondContact O-CA 3.39Å; D795-K802 PolarHBondContact N-O 2.95Å; D795-K802 PolarHBondContact O-N 3.03Å |
| 796 | H | 86.1 | Confident | 80.5 | Confident | 21 Ų | 21 | 71 Ų | 71 | 10% | 0.097 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 114.7 | 176.8 | -178.9 | -98.1 | 0 | 0 | 0 | 110.5 | A747 G798 F801 | A747-H796 HydrophobicContact CB-CB 4.26Å; H796-G798 VanDerWaalsContact CE1-C 3.41Å; H796-G798 WeakPolarHBondContact CE1-CA 3.23Å; H796-G798 PolarHBondContact CE1-N 3.26Å; H796-G798 PolarHBondContact ND1-N 3.42Å; H796-G798 PolarHBondContact O-N 3.25Å; H796-F801 HydrophobicContact CB-CD1 4.11Å; H796-F801 HydrophobicContact CB-CE1 4.15Å |
| 797 | D | 78.7 | Confident | 80.4 | Confident | 106 Ų | 106 | 71.2 Ų | 71.2 | 57% | 0.567 | 37% | 0.371 | S | S | * | . | trans | -87.3 | 22.9 | -176.8 | -161.3 | 13.3 | 0 | 0 | 0 | 112.9 | K799 E800 K802 | D797-K799 PolarHBondContact O-N 3.35Å; D797-E800 PolarHBondContact N-O 3.13Å; D797-K802 HydrophobicContact CB-CD 4.14Å; D797-K802 WeakPolarHBondContact OD2-CE 3.42Å; D797-K802 IonicContact OD2-NZ 2.69Å; D797-K802 PolarHBondContact OD2-NZ 3.12Å | ||
| 798 | G | 72.4 | Confident | 79.6 | Confident | 60 Ų | 60 | 75.7 Ų | 75.7 | 62% | 0.619 | 39% | 0.391 | S | S | * | . | S | Bend | trans | 80.9 | -14.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | H796 | H796-G798 VanDerWaalsContact CE1-C 3.41Å; H796-G798 WeakPolarHBondContact CE1-CA 3.23Å; H796-G798 PolarHBondContact CE1-N 3.26Å; H796-G798 PolarHBondContact ND1-N 3.42Å; H796-G798 PolarHBondContact O-N 3.25Å |
| 799 | K | 74.8 | Confident | 78.3 | Confident | 193 Ų | 193 | 74.6 Ų | 74.6 | 84% | 0.839 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -120.6 | -46.6 | 176.6 | -67.1 | -174.7 | -178.9 | 179.9 | 0 | 113.6 | D797 | D797-K799 PolarHBondContact O-N 3.35Š|
| 800 | E | 82.9 | Confident | 76.5 | Confident | 151 Ų | 151 | 78.2 Ų | 78.2 | 71% | 0.706 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -138.7 | 155.6 | -175.7 | -67.9 | 178.1 | 176.7 | 0 | 0 | 109.8 | D797 | D797-E800 PolarHBondContact N-O 3.13Š|
| 801 | F | 84.4 | Confident | 74.5 | Confident | 36 Ų | 36 | 84.5 Ų | 84.5 | 16% | 0.158 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 134.6 | 171.1 | -70.9 | -84.8 | 0 | 0 | 0 | 110 | A747 K750 I751 T772 V794 D795 H796 Y803 | A747-F801 HydrophobicContact CB-CD1 4.2Å; A747-F801 HydrophobicContact CB-CE1 3.97Å; K750-F801 HydrophobicContact CB-CE1 4.37Å; K750-F801 HydrophobicContact CB-CZ 4.01Å; K750-F801 HydrophobicContact CG-CE2 4.3Å; K750-F801 HydrophobicContact CG-CZ 3.77Å; I751-F801 HydrophobicContact CD1-CE1 4.38Å; I751-F801 HydrophobicContact CG1-CE1 4.06Å; I751-F801 HydrophobicContact CG1-CZ 3.92Å; T772-F801 HydrophobicContact CG2-CD2 4.1Å; T772-F801 HydrophobicContact CG2-CE2 3.51Å; T772-F801 HydrophobicContact CG2-CZ 3.92Å; V794-F801 HydrophobicContact CG1-CD1 4.29Å; D795-F801 CarbonylContact O-C 3.59Å; D795-F801 WeakPolarHBondContact O-CA 3.39Å; H796-F801 HydrophobicContact CB-CD1 4.11Å; H796-F801 HydrophobicContact CB-CE1 4.15Å; F801-Y803 HydrophobicContact CB-CE2 3.98Å; F801-Y803 WeakPolarHBondContact CB-OH 3.22Å |
| 802 | K | 84.1 | Confident | 72.1 | Confident | 104 Ų | 104 | 86.4 Ų | 86.4 | 45% | 0.452 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 139.5 | 177.3 | -70.5 | -176.7 | 172.9 | 174.5 | 0 | 110 | V794 D795 D797 | V794-K802 WeakPolarHBondContact CA-O 3.34Å; D795-K802 PolarHBondContact N-O 2.95Å; D795-K802 PolarHBondContact O-N 3.03Å; D797-K802 HydrophobicContact CB-CD 4.14Å; D797-K802 WeakPolarHBondContact OD2-CE 3.42Å; D797-K802 IonicContact OD2-NZ 2.69Å; D797-K802 PolarHBondContact OD2-NZ 3.12Å |
| 803 | Y | 84.2 | Confident | 69.7 | Low | 42 Ų | 42 | 96.1 Ų | 96.1 | 17% | 0.165 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 103 | -179.9 | -57.2 | -94.4 | 0 | 0 | 0 | 109.1 | T772 N776 L777 L780 V792 T793 V794 F801 | T772-Y803 PolarHBondContact O-OH 3.38Å; N776-Y803 HydrophobicContact CB-CE1 4.02Å; N776-Y803 HydrophobicContact CB-CE2 3.85Å; N776-Y803 PolarHBondContact ND2-OH 2.95Å; L777-Y803 HydrophobicContact CD2-CD1 4.46Å; L780-Y803 HydrophobicContact CD1-CD1 4.37Å; L780-Y803 HydrophobicContact CD1-CG 4Å; V792-Y803 HydrophobicContact CG1-CD1 4.42Å; T793-Y803 WeakPolarHBondContact O-CA 3.32Å; V794-Y803 HydrophobicContact CB-CE1 4.42Å; V794-Y803 HydrophobicContact CG1-CD1 4.38Å; V794-Y803 HydrophobicContact CG1-CE1 3.85Å; V794-Y803 HydrophobicContact CG2-CD1 3.81Å; V794-Y803 HydrophobicContact CG2-CE1 3.8Å; F801-Y803 HydrophobicContact CB-CE2 3.98Å; F801-Y803 WeakPolarHBondContact CB-OH 3.22Å |
| 804 | D | 82.2 | Confident | 67 | Low | 100 Ų | 100 | 100.3 Ų | 100.3 | 54% | 0.535 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 119.1 | 178 | -70.3 | -26.7 | 0 | 0 | 0 | 109.9 | V792 T793 | V792-D804 CarbonylContact C-O 3.09Å; V792-D804 WeakPolarHBondContact CA-O 3.32Å; T793-D804 PolarHBondContact N-O 3.22Å; T793-D804 PolarHBondContact O-N 2.98Å |
| 805 | I | 80.7 | Confident | 64.5 | Low | 63 Ų | 63 | 106 Ų | 106 | 32% | 0.323 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.3 | 113.3 | -179.3 | -53.2 | 172.4 | 0 | 0 | 0 | 108.9 | N785 I787 K790 V792 | N785-I805 HydrophobicContact CB-CD1 4.29Å; I787-I805 HydrophobicContact CG1-CD1 4Å; K790-I805 HydrophobicContact CB-CG2 3.82Å; K790-I805 HydrophobicContact CD-CG2 3.46Å; K790-I805 VanDerWaalsContact CD-CG2 3.46Å; K790-I805 HydrophobicContact CG-CG2 4.28Å; V792-I805 HydrophobicContact CG2-CG1 4.44Å |
| 806 | A | 74.7 | Confident | 62.1 | Low | 50 Ų | 50 | 109 Ų | 109 | 41% | 0.413 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115 | 147.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | K790 K791 | K790-A806 WeakPolarHBondContact CB-O 3.3Å; K791-A806 PolarHBondContact N-O 2.82Å; K791-A806 PolarHBondContact O-N 2.94Å |
| 807 | E | 64.3 | Low | 59.7 | Low | 157 Ų | 157 | 116.8 Ų | 116.8 | 73% | 0.734 | 63% | 0.63 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -65.4 | 139.2 | 168.7 | -71.3 | -175.4 | 168.8 | 0 | 0 | 110.2 | T809 | E807-T809 VanDerWaalsContact C-N 3.34Å; E807-T809 PolarHBondContact O-N 2.92Å |
| 808 | Q | 56.8 | Low | 57.6 | Low | 98 Ų | 98 | 120.3 Ų | 120.3 | 46% | 0.458 | 67% | 0.674 | S | S | . | * | trans | -67.3 | 93.5 | 171.9 | -80.8 | -179.4 | 17.3 | 0 | 0 | 109.4 | N740 G789 K791 S810 | N740-Q808 PolarHBondContact ND2-NE2 3.32Å; G789-Q808 VanDerWaalsContact O-CD 3.3Å; G789-Q808 WeakPolarHBondContact O-CG 3.43Å; K791-Q808 HydrophobicContact CB-CG 4.32Å; Q808-S810 PolarHBondContact O-N 2.83Å | ||
| 809 | T | 47.7 | Very low | 56.9 | Low | 126 Ų | 126 | 123.3 Ų | 123.3 | 77% | 0.773 | 68% | 0.676 | S | S | * | * | trans | -66.2 | 117.3 | 161.8 | 41.2 | 0 | 0 | 0 | 0 | 108.2 | E807 E811 | E807-T809 VanDerWaalsContact C-N 3.34Å; E807-T809 PolarHBondContact O-N 2.92Å; T809-E811 PolarHBondContact O-N 2.87Å | ||
| 810 | S | 39 | Very low | 55.9 | Low | 110 Ų | 110 | 119.6 Ų | 119.6 | 77% | 0.769 | 67% | 0.668 | S | S | * | * | trans | -57.8 | 100.5 | 172.2 | 55.3 | 0 | 0 | 0 | 0 | 109.7 | Q808 T812 | Q808-S810 PolarHBondContact O-N 2.83Å; S810-T812 PolarHBondContact O-N 2.98Å | ||
| 811 | E | 38.5 | Very low | 54.4 | Low | 185 Ų | 185 | 117.9 Ų | 117.9 | 86% | 0.864 | 67% | 0.666 | S | S | * | * | trans | -64.7 | 107 | 163.9 | -82.2 | -177.8 | 172.5 | 0 | 0 | 107.4 | T809 K813 | T809-E811 PolarHBondContact O-N 2.87Å; E811-K813 PolarHBondContact O-N 3.42Å; E811-K813 VanDerWaalsContact O-N 3.09Å | ||
| 812 | T | 31.7 | Very low | 52.7 | Low | 124 Ų | 124 | 122.7 Ų | 122.7 | 76% | 0.761 | 70% | 0.696 | S | S | * | * | trans | -45.1 | 113 | 166.4 | 38.6 | 0 | 0 | 0 | 0 | 109.5 | S810 T814 | S810-T812 PolarHBondContact O-N 2.98Å; T812-T814 PolarHBondContact O-N 3.42Å | ||
| 813 | K | 35.6 | Very low | 50.7 | Low | 204 Ų | 204 | 123.9 Ų | 123.9 | 89% | 0.887 | 71% | 0.711 | S | S | * | * | trans | -51.1 | 107.4 | 162.6 | -77.4 | -178 | 176.2 | -179.6 | 0 | 108.1 | E811 P815 | E811-K813 PolarHBondContact O-N 3.42Å; E811-K813 VanDerWaalsContact O-N 3.09Å; K813-P815 WeakPolarHBondContact O-CD 3.27Å | ||
| 814 | T | 31.4 | Very low | 48.5 | Very low | 126 Ų | 126 | 129.3 Ų | 129.3 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | trans | -59.8 | 123.8 | 164.7 | -20.8 | 0 | 0 | 0 | 0 | 107.4 | T812 S816 | T812-T814 PolarHBondContact O-N 3.42Å; T814-S816 PolarHBondContact O-N 2.79Å; T814-S816 VanDerWaalsContact O-N 3.08Å | ||
| 815 | P | 36.1 | Very low | 46 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | trans | -77.3 | 94.1 | 167.1 | 29.5 | -26.6 | 0 | 0 | 0 | 107.1 | K813 Q817 | K813-P815 WeakPolarHBondContact O-CD 3.27Å; P815-Q817 PolarHBondContact O-N 3.08Å | ||
| 816 | S | 38.7 | Very low | 43.4 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | trans | -74.3 | 119 | 166 | 61 | 0 | 0 | 0 | 0 | 108.7 | T814 | T814-S816 PolarHBondContact O-N 2.79Å; T814-S816 VanDerWaalsContact O-N 3.08Å | ||
| 817 | Q | 34.9 | Very low | 40.8 | Very low | 184 Ų | 184 | 143.9 Ų | 143.9 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | trans | -62.8 | 153.4 | 179.3 | -64.6 | 161.4 | -22.4 | 0 | 0 | 112.7 | P815 | P815-Q817 PolarHBondContact O-N 3.08Š| ||
| 818 | A | 34.5 | Very low | 38.6 | Very low | 179 Ų | 179 | 142.7 Ų | 142.7 | 100% | 1.479 | 84% | 0.837 | S | S | * | * | trans | 84.3 | 0 | 169.5 | 0 | 0 | 0 | 0 | 0 | 117.6 |
Retrieved 818 of 818 residues in 3174.9 ms
(Link to these results)