| 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 | 43.2 | Very low | 74.8 | Confident | 229 Ų | 229 | 107.6 Ų | 107.6 | 100% | 1.128 | 51% | 0.51 | S | S | * | . | 0 | 108.5 | 0 | -165.2 | -174.7 | -54.3 | 0 | 0 | 106.6 | P3 | M1-P3 WeakPolarHBondContact O-CD 3.42Š| |||
| 2 | I | 55 | Low | 76 | Confident | 149 Ų | 149 | 105.2 Ų | 105.2 | 76% | 0.764 | 50% | 0.501 | S | S | * | . | trans | -71.1 | 117.7 | 177.5 | -59.7 | 168.3 | 0 | 0 | 0 | 105.7 | D4 | I2-D4 PolarHBondContact O-N 3.31Š| ||
| 3 | P | 60.7 | Low | 77.2 | Confident | 44 Ų | 44 | 111.2 Ų | 111.2 | 29% | 0.286 | 52% | 0.516 | S | S | . | . | trans | -56.5 | 133.5 | 176 | 21 | -29 | 0 | 0 | 0 | 108.5 | M1 V5 | M1-P3 WeakPolarHBondContact O-CD 3.42Å; P3-V5 PolarHBondContact O-N 2.97Å | ||
| 4 | D | 71.2 | Confident | 78.2 | Confident | 59 Ų | 59 | 105.4 Ų | 105.4 | 32% | 0.316 | 49% | 0.492 | S | S | . | . | trans | -58.9 | 108.9 | -175 | -172.3 | -16.4 | 0 | 0 | 0 | 109.3 | I2 R6 I7 H8 | I2-D4 PolarHBondContact O-N 3.31Å; D4-R6 PolarHBondContact O-N 3.22Å; D4-R6 WeakPolarHBondContact OD1-CB 3.41Å; D4-R6 VanDerWaalsContact OD1-CG 3.27Å; D4-R6 WeakPolarHBondContact OD1-CG 3.29Å; D4-R6 IonicContact OD1-CZ 3.84Å; D4-R6 PolarHBondContact OD1-N 2.83Å; D4-R6 IonicContact OD1-NE 2.94Å; D4-R6 PolarHBondContact OD1-NE 3.2Å; D4-R6 IonicContact OD1-NH2 3.87Å; D4-R6 IonicContact OD2-CZ 3.23Å; D4-R6 VanDerWaalsContact OD2-CZ 3.23Å; D4-R6 IonicContact OD2-NE 2.97Å; D4-R6 PolarHBondContact OD2-NE 3.29Å; D4-R6 IonicContact OD2-NH2 2.68Å; D4-R6 PolarHBondContact OD2-NH2 2.91Å; D4-I7 HydrophobicContact CB-CD1 3.98Å; D4-I7 HydrophobicContact CB-CG1 4.07Å; D4-I7 WeakPolarHBondContact O-CB 3.32Å; D4-I7 PolarHBondContact O-N 3.42Å; D4-H8 PolarHBondContact O-N 3.34Å | ||
| 5 | V | 79.9 | Confident | 79.1 | Confident | 73 Ų | 73 | 99.8 Ų | 99.8 | 44% | 0.442 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -53.5 | -26.4 | -178 | 179.1 | 0 | 0 | 0 | 0 | 111.1 | P3 H8 R9 | P3-V5 PolarHBondContact O-N 2.97Å; V5-H8 PolarHBondContact O-N 3.39Å; V5-R9 HydrophobicContact CG1-CG 4.37Å; V5-R9 WeakPolarHBondContact O-CB 3.44Å; V5-R9 WeakPolarHBondContact O-CG 3.5Å; V5-R9 PolarHBondContact O-N 3.15Å |
| 6 | R | 83.5 | Confident | 79.8 | Confident | 185 Ų | 185 | 98.5 Ų | 98.5 | 70% | 0.698 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.1 | -43.5 | 175.7 | -61.2 | 177.1 | -70.3 | -172.4 | 1.8 | 112 | D4 R9 F10 | D4-R6 PolarHBondContact O-N 3.22Å; D4-R6 WeakPolarHBondContact OD1-CB 3.41Å; D4-R6 VanDerWaalsContact OD1-CG 3.27Å; D4-R6 WeakPolarHBondContact OD1-CG 3.29Å; D4-R6 IonicContact OD1-CZ 3.84Å; D4-R6 PolarHBondContact OD1-N 2.83Å; D4-R6 IonicContact OD1-NE 2.94Å; D4-R6 PolarHBondContact OD1-NE 3.2Å; D4-R6 IonicContact OD1-NH2 3.87Å; D4-R6 IonicContact OD2-CZ 3.23Å; D4-R6 VanDerWaalsContact OD2-CZ 3.23Å; D4-R6 IonicContact OD2-NE 2.97Å; D4-R6 PolarHBondContact OD2-NE 3.29Å; D4-R6 IonicContact OD2-NH2 2.68Å; D4-R6 PolarHBondContact OD2-NH2 2.91Å; R6-R9 PolarHBondContact O-N 3.32Å; R6-F10 WeakPolarHBondContact O-CB 3.41Å; R6-F10 PolarHBondContact O-N 3.07Å |
| 7 | I | 82.3 | Confident | 80.6 | Confident | 110 Ų | 110 | 99.9 Ų | 99.9 | 56% | 0.564 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.5 | -42.6 | -179.5 | -60.4 | 176.1 | 0 | 0 | 0 | 109.9 | D4 F10 A11 | D4-I7 HydrophobicContact CB-CD1 3.98Å; D4-I7 HydrophobicContact CB-CG1 4.07Å; D4-I7 WeakPolarHBondContact O-CB 3.32Å; D4-I7 PolarHBondContact O-N 3.42Å; I7-F10 WeakPolarHBondContact O-CB 3.34Å; I7-F10 PolarHBondContact O-N 3Å; I7-A11 PolarHBondContact O-N 3.36Å |
| 8 | H | 83.1 | Confident | 81.4 | Confident | 35 Ų | 35 | 102.7 Ų | 102.7 | 16% | 0.162 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -65.2 | -43.2 | 177.6 | -177.2 | 51.3 | 0 | 0 | 0 | 112.6 | D4 V5 F10 A11 L12 H31 | D4-H8 PolarHBondContact O-N 3.34Å; V5-H8 PolarHBondContact O-N 3.39Å; H8-F10 VanDerWaalsContact C-N 3.28Å; H8-F10 PolarHBondContact O-N 3.41Å; H8-A11 PolarHBondContact O-N 3.24Å; H8-L12 WeakPolarHBondContact NE2-CD1 3.49Å; H8-L12 WeakPolarHBondContact O-CG 3.35Å; H8-L12 PolarHBondContact O-N 3.38Å; H8-H31 WeakPolarHBondContact CB-NE2 3.4Å; H8-H31 AromaticContact CD2-CE1 3.26Å; H8-H31 PolarHBondContact CD2-CE1 3.45Å; H8-H31 AromaticContact CD2-ND1 3.29Å; H8-H31 PolarHBondContact CD2-ND1 2.94Å; H8-H31 VanDerWaalsContact CD2-ND1 3.29Å; H8-H31 AromaticContact CE1-CG 3.89Å; H8-H31 AromaticContact CE1-ND1 3.35Å; H8-H31 PolarHBondContact CE1-ND1 2.84Å; H8-H31 AromaticContact CG-CD2 3.85Å; H8-H31 AromaticContact CG-CE1 3.29Å; H8-H31 AromaticContact CG-CG 3.55Å; H8-H31 AromaticContact CG-ND1 3.18Å; H8-H31 AromaticContact CG-NE2 3.7Å; H8-H31 AromaticContact ND1-CE1 3.85Å; H8-H31 AromaticContact ND1-CG 3.4Å; H8-H31 AromaticContact ND1-ND1 3.23Å; H8-H31 PolarHBondContact ND1-ND1 2.68Å; H8-H31 AromaticContact NE2-CE1 3.8Å; H8-H31 AromaticContact NE2-ND1 3.38Å; H8-H31 PolarHBondContact NE2-ND1 3.1Å |
| 9 | R | 87.1 | Confident | 81.8 | Confident | 153 Ų | 153 | 101.8 Ų | 101.8 | 58% | 0.577 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.3 | -38.8 | 174.5 | -74.3 | 176.6 | 180 | 179.4 | 1.5 | 111.9 | V5 R6 R13 | V5-R9 HydrophobicContact CG1-CG 4.37Å; V5-R9 WeakPolarHBondContact O-CB 3.44Å; V5-R9 WeakPolarHBondContact O-CG 3.5Å; V5-R9 PolarHBondContact O-N 3.15Å; R6-R9 PolarHBondContact O-N 3.32Å; R9-R13 WeakPolarHBondContact O-CB 3.38Å; R9-R13 VanDerWaalsContact O-CG 3.24Å; R9-R13 WeakPolarHBondContact O-CG 3.47Å; R9-R13 PolarHBondContact O-N 3.15Å |
| 10 | F | 89.1 | Confident | 82.4 | Confident | 141 Ų | 141 | 102.1 Ų | 102.1 | 62% | 0.618 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62 | -49.4 | 172.9 | 175.1 | -96.5 | 0 | 0 | 0 | 111.1 | R6 I7 H8 L12 R13 T14 | R6-F10 WeakPolarHBondContact O-CB 3.41Å; R6-F10 PolarHBondContact O-N 3.07Å; I7-F10 WeakPolarHBondContact O-CB 3.34Å; I7-F10 PolarHBondContact O-N 3Å; H8-F10 VanDerWaalsContact C-N 3.28Å; H8-F10 PolarHBondContact O-N 3.41Å; F10-L12 VanDerWaalsContact C-N 3.35Å; F10-L12 PolarHBondContact O-N 3.13Å; F10-R13 PolarHBondContact O-N 2.99Å; F10-T14 WeakPolarHBondContact O-CB 3.28Å; F10-T14 PolarHBondContact O-N 3.03Å; F10-T14 PolarHBondContact O-OG1 3.41Å |
| 11 | A | 88.2 | Confident | 83 | Confident | 6 Ų | 6 | 99.2 Ų | 99.2 | 5% | 0.05 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -58.7 | -42.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I7 H8 T14 A15 I27 N28 | I7-A11 PolarHBondContact O-N 3.36Å; H8-A11 PolarHBondContact O-N 3.24Å; A11-T14 PolarHBondContact O-N 2.9Å; A11-A15 WeakPolarHBondContact O-CB 3.26Å; A11-A15 PolarHBondContact O-N 3.46Å; A11-I27 HydrophobicContact CB-CG2 4.02Å; A11-N28 VanDerWaalsContact CB-OD1 3.32Å; A11-N28 WeakPolarHBondContact CB-OD1 3.48Å |
| 12 | L | 88.8 | Confident | 85.5 | Confident | 78 Ų | 78 | 90.9 Ų | 90.9 | 41% | 0.408 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.8 | -43.3 | 176 | -72.3 | 175.2 | 0 | 0 | 0 | 112.8 | H8 F10 T14 A15 A16 | H8-L12 WeakPolarHBondContact NE2-CD1 3.49Å; H8-L12 WeakPolarHBondContact O-CG 3.35Å; H8-L12 PolarHBondContact O-N 3.38Å; F10-L12 VanDerWaalsContact C-N 3.35Å; F10-L12 PolarHBondContact O-N 3.13Å; L12-T14 VanDerWaalsContact C-N 3.33Å; L12-A15 PolarHBondContact O-N 3.3Å; L12-A16 PolarHBondContact O-N 3.17Å; L12-A16 VanDerWaalsContact O-N 3.11Å |
| 13 | R | 91.8 | Very high | 87.4 | Confident | 184 Ų | 184 | 85.7 Ų | 85.7 | 69% | 0.694 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -63.9 | -41.5 | 176.3 | -73.7 | 171.9 | -178.1 | 179.5 | -1.1 | 111.4 | R9 F10 A15 A16 | R9-R13 WeakPolarHBondContact O-CB 3.38Å; R9-R13 VanDerWaalsContact O-CG 3.24Å; R9-R13 WeakPolarHBondContact O-CG 3.47Å; R9-R13 PolarHBondContact O-N 3.15Å; F10-R13 PolarHBondContact O-N 2.99Å; R13-A15 VanDerWaalsContact C-N 3.34Å; R13-A16 WeakPolarHBondContact O-CB 3.32Å; R13-A16 PolarHBondContact O-N 3.41Å |
| 14 | T | 91.4 | Very high | 89 | Confident | 29 Ų | 29 | 84.8 Ų | 84.8 | 18% | 0.178 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -66.1 | -38.8 | 175.8 | -56.4 | 0 | 0 | 0 | 0 | 110.7 | F10 A11 L12 A16 N17 Y18 L24 | F10-T14 WeakPolarHBondContact O-CB 3.28Å; F10-T14 PolarHBondContact O-N 3.03Å; F10-T14 PolarHBondContact O-OG1 3.41Å; A11-T14 PolarHBondContact O-N 2.9Å; L12-T14 VanDerWaalsContact C-N 3.33Å; T14-A16 VanDerWaalsContact C-N 3.27Å; T14-A16 PolarHBondContact O-N 3.48Å; T14-N17 WeakPolarHBondContact O-CB 3.27Å; T14-N17 PolarHBondContact O-N 3.45Å; T14-Y18 HydrophobicContact CG2-CD2 3.88Å; T14-Y18 HydrophobicContact CG2-CE2 4.15Å; T14-Y18 VanDerWaalsContact O-CD2 3.31Å; T14-Y18 WeakPolarHBondContact O-CD2 3.49Å; T14-Y18 PolarHBondContact O-N 3.21Å; T14-Y18 VanDerWaalsContact O-N 3.12Å; T14-L24 HydrophobicContact CG2-CD1 3.82Å; T14-L24 HydrophobicContact CG2-CD2 4.22Å |
| 15 | A | 90.9 | Very high | 90.1 | Very high | 22 Ų | 22 | 82.2 Ų | 82.2 | 18% | 0.182 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -62.6 | -32.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A11 L12 R13 N17 Y18 P19 L24 | A11-A15 WeakPolarHBondContact O-CB 3.26Å; A11-A15 PolarHBondContact O-N 3.46Å; L12-A15 PolarHBondContact O-N 3.3Å; R13-A15 VanDerWaalsContact C-N 3.34Å; A15-N17 PolarHBondContact O-N 2.94Å; A15-Y18 CarbonylContact O-C 3.6Å; A15-Y18 PolarHBondContact O-N 3.08Å; A15-Y18 VanDerWaalsContact O-N 3.14Å; A15-P19 WeakPolarHBondContact O-CA 3.44Å; A15-P19 VanDerWaalsContact O-N 3.11Å; A15-L24 HydrophobicContact CB-CB 4.25Å; A15-L24 HydrophobicContact CB-CD1 4.25Å |
| 16 | A | 91 | Very high | 90.9 | Very high | 79 Ų | 79 | 80.5 Ų | 80.5 | 65% | 0.653 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -63 | -31.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L12 R13 T14 | L12-A16 PolarHBondContact O-N 3.17Å; L12-A16 VanDerWaalsContact O-N 3.11Å; R13-A16 WeakPolarHBondContact O-CB 3.32Å; R13-A16 PolarHBondContact O-N 3.41Å; T14-A16 VanDerWaalsContact C-N 3.27Å; T14-A16 PolarHBondContact O-N 3.48Å |
| 17 | N | 93.5 | Very high | 91.4 | Very high | 123 Ų | 123 | 76 Ų | 76 | 66% | 0.658 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -82.8 | -19.4 | 175.5 | -64.4 | -26.8 | 0 | 0 | 0 | 112.9 | T14 A15 | T14-N17 WeakPolarHBondContact O-CB 3.27Å; T14-N17 PolarHBondContact O-N 3.45Å; A15-N17 PolarHBondContact O-N 2.94Å |
| 18 | Y | 94 | Very high | 92 | Very high | 149 Ų | 149 | 70.9 Ų | 70.9 | 58% | 0.584 | 37% | 0.366 | S | S | * | . | trans | -136.4 | 65.8 | -177.5 | -55.9 | -77.2 | 0 | 0 | 0 | 111 | T14 A15 D20 S21 L24 | T14-Y18 HydrophobicContact CG2-CD2 3.88Å; T14-Y18 HydrophobicContact CG2-CE2 4.15Å; T14-Y18 VanDerWaalsContact O-CD2 3.31Å; T14-Y18 WeakPolarHBondContact O-CD2 3.49Å; T14-Y18 PolarHBondContact O-N 3.21Å; T14-Y18 VanDerWaalsContact O-N 3.12Å; A15-Y18 CarbonylContact O-C 3.6Å; A15-Y18 PolarHBondContact O-N 3.08Å; A15-Y18 VanDerWaalsContact O-N 3.14Å; Y18-D20 PolarHBondContact O-N 3.33Å; Y18-D20 VanDerWaalsContact O-N 3.16Å; Y18-S21 VanDerWaalsContact O-CB 3.23Å; Y18-S21 WeakPolarHBondContact O-CB 3.36Å; Y18-S21 PolarHBondContact O-N 3.41Å; Y18-L24 HydrophobicContact CD2-CD1 4.46Å | ||
| 19 | P | 90.6 | Very high | 92.6 | Very high | 87 Ų | 87 | 69.2 Ų | 69.2 | 57% | 0.565 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -23.9 | -170.3 | 25.5 | -35.4 | 0 | 0 | 0 | 113.6 | A15 S21 F47 | A15-P19 WeakPolarHBondContact O-CA 3.44Å; A15-P19 VanDerWaalsContact O-N 3.11Å; P19-S21 VanDerWaalsContact C-N 3.35Å; P19-F47 VanDerWaalsContact O-CZ 3.28Å; P19-F47 WeakPolarHBondContact O-CZ 3.49Å |
| 20 | D | 92.4 | Very high | 93 | Very high | 106 Ų | 106 | 64.8 Ų | 64.8 | 57% | 0.567 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | 1.9 | 178.1 | -71.1 | -56.3 | 0 | 0 | 0 | 114.2 | Y18 I22 R51 | Y18-D20 PolarHBondContact O-N 3.33Å; Y18-D20 VanDerWaalsContact O-N 3.16Å; D20-I22 PolarHBondContact O-N 3.23Å; D20-I22 VanDerWaalsContact O-N 3.09Å; D20-R51 IonicContact OD1-CZ 3.72Å; D20-R51 IonicContact OD1-NE 3.89Å; D20-R51 IonicContact OD1-NH2 2.7Å; D20-R51 PolarHBondContact OD1-NH2 2.97Å |
| 21 | S | 95.1 | Very high | 93.2 | Very high | 42 Ų | 42 | 59.7 Ų | 59.7 | 29% | 0.294 | 33% | 0.325 | S | S | . | . | trans | -72.9 | 104.5 | -177.7 | -178 | 0 | 0 | 0 | 0 | 112.1 | Y18 P19 G23 L24 A25 | Y18-S21 VanDerWaalsContact O-CB 3.23Å; Y18-S21 WeakPolarHBondContact O-CB 3.36Å; Y18-S21 PolarHBondContact O-N 3.41Å; P19-S21 VanDerWaalsContact C-N 3.35Å; S21-G23 VanDerWaalsContact C-N 3.25Å; S21-G23 PolarHBondContact O-N 3Å; S21-L24 PolarHBondContact O-N 3.11Å; S21-L24 WeakPolarHBondContact OG-CG 3.46Å; S21-L24 PolarHBondContact OG-N 3.32Å; S21-A25 PolarHBondContact O-N 2.87Å; S21-A25 VanDerWaalsContact O-N 3.07Å | ||
| 22 | I | 95.5 | Very high | 93.5 | Very high | 54 Ų | 54 | 59.8 Ų | 59.8 | 28% | 0.277 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.7 | -37.2 | 176.1 | -61.7 | 169.9 | 0 | 0 | 0 | 111.2 | D20 A25 F26 I48 R51 | D20-I22 PolarHBondContact O-N 3.23Å; D20-I22 VanDerWaalsContact O-N 3.09Å; I22-A25 WeakPolarHBondContact O-CB 3.38Å; I22-A25 PolarHBondContact O-N 3.23Å; I22-F26 HydrophobicContact CG2-CD2 3.86Å; I22-F26 HydrophobicContact CG2-CE2 3.7Å; I22-F26 VanDerWaalsContact O-CD2 3.31Å; I22-F26 WeakPolarHBondContact O-CD2 3.34Å; I22-F26 PolarHBondContact O-N 2.99Å; I22-I48 HydrophobicContact CG2-CG1 4.32Å; I22-I48 HydrophobicContact CG2-CG2 4.12Å; I22-R51 HydrophobicContact CD1-CB 4.14Å |
| 23 | G | 94.5 | Very high | 93.8 | Very high | 41 Ų | 41 | 57.3 Ų | 57.3 | 42% | 0.423 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64 | -42 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S21 F26 I27 | S21-G23 VanDerWaalsContact C-N 3.25Å; S21-G23 PolarHBondContact O-N 3Å; G23-F26 PolarHBondContact O-N 3.47Å; G23-I27 WeakPolarHBondContact O-CG1 3.15Å; G23-I27 PolarHBondContact O-N 3.29Å; G23-I27 VanDerWaalsContact O-N 3.12Å |
| 24 | L | 94.6 | Very high | 93.8 | Very high | 25 Ų | 25 | 53.7 Ų | 53.7 | 13% | 0.131 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.6 | -38.7 | 175.6 | -68.7 | 173.2 | 0 | 0 | 0 | 111.3 | T14 A15 Y18 S21 F26 I27 N28 | T14-L24 HydrophobicContact CG2-CD1 3.82Å; T14-L24 HydrophobicContact CG2-CD2 4.22Å; A15-L24 HydrophobicContact CB-CB 4.25Å; A15-L24 HydrophobicContact CB-CD1 4.25Å; Y18-L24 HydrophobicContact CD2-CD1 4.46Å; S21-L24 PolarHBondContact O-N 3.11Å; S21-L24 WeakPolarHBondContact OG-CG 3.46Å; S21-L24 PolarHBondContact OG-N 3.32Å; L24-F26 VanDerWaalsContact C-N 3.33Å; L24-F26 PolarHBondContact O-N 3.02Å; L24-I27 PolarHBondContact O-N 3.36Å; L24-N28 WeakPolarHBondContact O-CB 3.43Å; L24-N28 VanDerWaalsContact O-CG 3.29Å; L24-N28 PolarHBondContact O-N 3.08Å; L24-N28 PolarHBondContact O-ND2 3.4Å |
| 25 | A | 95.6 | Very high | 93.8 | Very high | 4 Ų | 4 | 55.2 Ų | 55.2 | 3% | 0.033 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.2 | -42.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | S21 I22 I27 N28 G29 E44 F47 I48 | S21-A25 PolarHBondContact O-N 2.87Å; S21-A25 VanDerWaalsContact O-N 3.07Å; I22-A25 WeakPolarHBondContact O-CB 3.38Å; I22-A25 PolarHBondContact O-N 3.23Å; A25-I27 PolarHBondContact O-N 3.03Å; A25-N28 PolarHBondContact O-N 3.29Å; A25-G29 PolarHBondContact O-N 3.36Å; A25-E44 WeakPolarHBondContact CA-OE2 3.46Å; A25-E44 WeakPolarHBondContact CB-OE2 3.33Å; A25-F47 HydrophobicContact CB-CD1 3.74Å; A25-F47 HydrophobicContact CB-CE1 3.95Å; A25-I48 HydrophobicContact CB-CD1 3.88Å; A25-I48 HydrophobicContact CB-CG1 3.71Å |
| 26 | F | 95.9 | Very high | 93.9 | Very high | 38 Ų | 38 | 54.9 Ų | 54.9 | 17% | 0.167 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.9 | -46.3 | 174.4 | -89.3 | -66.8 | 0 | 0 | 0 | 112 | I22 G23 L24 G29 N30 I48 L57 I58 L61 | I22-F26 HydrophobicContact CG2-CD2 3.86Å; I22-F26 HydrophobicContact CG2-CE2 3.7Å; I22-F26 VanDerWaalsContact O-CD2 3.31Å; I22-F26 WeakPolarHBondContact O-CD2 3.34Å; I22-F26 PolarHBondContact O-N 2.99Å; G23-F26 PolarHBondContact O-N 3.47Å; L24-F26 VanDerWaalsContact C-N 3.33Å; L24-F26 PolarHBondContact O-N 3.02Å; F26-G29 PolarHBondContact O-N 3.49Å; F26-N30 VanDerWaalsContact O-CB 3.27Å; F26-N30 WeakPolarHBondContact O-CB 3.2Å; F26-N30 PolarHBondContact O-N 3.27Å; F26-N30 PolarHBondContact O-ND2 2.9Å; F26-I48 HydrophobicContact CB-CD1 4.34Å; F26-I48 HydrophobicContact CD1-CD1 3.77Å; F26-I48 HydrophobicContact CD2-CD1 3.94Å; F26-I48 HydrophobicContact CE1-CD1 4Å; F26-I48 HydrophobicContact CE1-CG2 4.33Å; F26-I48 HydrophobicContact CE2-CD1 4.16Å; F26-I48 HydrophobicContact CE2-CG2 3.78Å; F26-I48 HydrophobicContact CG-CD1 3.73Å; F26-I48 HydrophobicContact CZ-CD1 4.19Å; F26-I48 HydrophobicContact CZ-CG2 3.65Å; F26-L57 HydrophobicContact CE1-CD2 4.25Å; F26-I58 HydrophobicContact CE1-CD1 4.27Å; F26-L61 HydrophobicContact CD1-CD1 4.14Å; F26-L61 HydrophobicContact CE1-CD1 3.97Å |
| 27 | I | 94.4 | Very high | 94 | Very high | 91 Ų | 91 | 53.8 Ų | 53.8 | 47% | 0.467 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62 | -48 | 179.8 | -68 | 166.1 | 0 | 0 | 0 | 110.6 | A11 G23 L24 A25 N30 H31 | A11-I27 HydrophobicContact CB-CG2 4.02Å; G23-I27 WeakPolarHBondContact O-CG1 3.15Å; G23-I27 PolarHBondContact O-N 3.29Å; G23-I27 VanDerWaalsContact O-N 3.12Å; L24-I27 PolarHBondContact O-N 3.36Å; A25-I27 PolarHBondContact O-N 3.03Å; I27-N30 PolarHBondContact O-N 2.94Å; I27-H31 WeakPolarHBondContact O-CB 3.5Å; I27-H31 PolarHBondContact O-N 3.3Å |
| 28 | N | 93.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.5 | -43.1 | 180 | -70.4 | -19.9 | 0 | 0 | 0 | 112.1 | A11 L24 A25 H31 S32 E44 | A11-N28 VanDerWaalsContact CB-OD1 3.32Å; A11-N28 WeakPolarHBondContact CB-OD1 3.48Å; L24-N28 WeakPolarHBondContact O-CB 3.43Å; L24-N28 VanDerWaalsContact O-CG 3.29Å; L24-N28 PolarHBondContact O-N 3.08Å; L24-N28 PolarHBondContact O-ND2 3.4Å; A25-N28 PolarHBondContact O-N 3.29Å; N28-H31 PolarHBondContact O-N 3.25Å; N28-S32 WeakPolarHBondContact O-CB 3.42Å; N28-S32 PolarHBondContact O-N 3.09Å; N28-S32 PolarHBondContact O-OG 3.16Å; N28-E44 HydrophobicContact CB-CG 4.1Å; N28-E44 VanDerWaalsContact CB-OE1 3.3Å; N28-E44 WeakPolarHBondContact CB-OE1 3.42Å |
| 29 | G | 95.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.6 | -47.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A25 F26 H31 S32 L33 A41 Y45 | A25-G29 PolarHBondContact O-N 3.36Å; F26-G29 PolarHBondContact O-N 3.49Å; G29-H31 PolarHBondContact O-N 3.4Å; G29-S32 CarbonylContact O-C 3.1Å; G29-S32 WeakPolarHBondContact O-CB 3.35Å; G29-S32 PolarHBondContact O-N 3.48Å; G29-S32 VanDerWaalsContact O-N 3.15Å; G29-L33 PolarHBondContact O-N 2.94Å; G29-A41 WeakPolarHBondContact O-CB 3.48Å; G29-Y45 VanDerWaalsContact C-OH 3.31Å; G29-Y45 PolarHBondContact O-OH 2.93Å |
| 30 | N | 95.2 | Very high | 94.3 | Very high | 61 Ų | 61 | 49.1 Ų | 49.1 | 33% | 0.326 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.9 | -40.3 | 178.7 | -70.1 | -14.6 | 0 | 0 | 0 | 112.4 | F26 I27 S32 L33 V34 Y45 | F26-N30 VanDerWaalsContact O-CB 3.27Å; F26-N30 WeakPolarHBondContact O-CB 3.2Å; F26-N30 PolarHBondContact O-N 3.27Å; F26-N30 PolarHBondContact O-ND2 2.9Å; I27-N30 PolarHBondContact O-N 2.94Å; N30-S32 VanDerWaalsContact C-N 3.33Å; N30-S32 PolarHBondContact O-N 3.49Å; N30-L33 PolarHBondContact O-N 3.16Å; N30-V34 WeakPolarHBondContact O-CG2 3.36Å; N30-V34 PolarHBondContact O-N 3.27Å; N30-Y45 WeakPolarHBondContact CA-OH 3.49Å; N30-Y45 PolarHBondContact N-OH 3Å; N30-Y45 PolarHBondContact OD1-OH 3.23Å |
| 31 | H | 93.9 | Very high | 94.5 | Very high | 34 Ų | 34 | 44 Ų | 44 | 16% | 0.157 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.1 | -44 | 172.4 | -179.9 | -83.5 | 0 | 0 | 0 | 111.5 | H8 I27 N28 G29 L33 V34 S35 | H8-H31 WeakPolarHBondContact CB-NE2 3.4Å; H8-H31 AromaticContact CD2-CE1 3.26Å; H8-H31 PolarHBondContact CD2-CE1 3.45Å; H8-H31 AromaticContact CD2-ND1 3.29Å; H8-H31 PolarHBondContact CD2-ND1 2.94Å; H8-H31 VanDerWaalsContact CD2-ND1 3.29Å; H8-H31 AromaticContact CE1-CG 3.89Å; H8-H31 AromaticContact CE1-ND1 3.35Å; H8-H31 PolarHBondContact CE1-ND1 2.84Å; H8-H31 AromaticContact CG-CD2 3.85Å; H8-H31 AromaticContact CG-CE1 3.29Å; H8-H31 AromaticContact CG-CG 3.55Å; H8-H31 AromaticContact CG-ND1 3.18Å; H8-H31 AromaticContact CG-NE2 3.7Å; H8-H31 AromaticContact ND1-CE1 3.85Å; H8-H31 AromaticContact ND1-CG 3.4Å; H8-H31 AromaticContact ND1-ND1 3.23Å; H8-H31 PolarHBondContact ND1-ND1 2.68Å; H8-H31 AromaticContact NE2-CE1 3.8Å; H8-H31 AromaticContact NE2-ND1 3.38Å; H8-H31 PolarHBondContact NE2-ND1 3.1Å; I27-H31 WeakPolarHBondContact O-CB 3.5Å; I27-H31 PolarHBondContact O-N 3.3Å; N28-H31 PolarHBondContact O-N 3.25Å; G29-H31 PolarHBondContact O-N 3.4Å; H31-L33 VanDerWaalsContact C-N 3.34Å; H31-L33 PolarHBondContact O-N 3.31Å; H31-V34 PolarHBondContact O-N 2.97Å; H31-S35 WeakPolarHBondContact O-CB 3.48Å; H31-S35 PolarHBondContact O-N 2.88Å; H31-S35 PolarHBondContact O-OG 2.96Å |
| 32 | S | 94.1 | Very high | 94.6 | Very high | 8 Ų | 8 | 43.2 Ų | 43.2 | 6% | 0.056 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.1 | -39.4 | 177.8 | -61.5 | 0 | 0 | 0 | 0 | 112 | N28 G29 N30 S35 G36 S37 | N28-S32 WeakPolarHBondContact O-CB 3.42Å; N28-S32 PolarHBondContact O-N 3.09Å; N28-S32 PolarHBondContact O-OG 3.16Å; G29-S32 CarbonylContact O-C 3.1Å; G29-S32 WeakPolarHBondContact O-CB 3.35Å; G29-S32 PolarHBondContact O-N 3.48Å; G29-S32 VanDerWaalsContact O-N 3.15Å; N30-S32 VanDerWaalsContact C-N 3.33Å; N30-S32 PolarHBondContact O-N 3.49Å; S32-S35 WeakPolarHBondContact CA-OG 3.49Å; S32-S35 PolarHBondContact O-OG 3.3Å; S32-S35 VanDerWaalsContact O-OG 3.07Å; S32-G36 PolarHBondContact O-N 3Å; S32-S37 CarbonylContact O-C 3.6Å; S32-S37 WeakPolarHBondContact O-CA 3.18Å; S32-S37 PolarHBondContact O-N 3.31Å |
| 33 | L | 95.2 | Very high | 94.7 | Very high | 25 Ų | 25 | 46.8 Ų | 46.8 | 13% | 0.131 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.2 | -51 | 175 | 175.1 | 58 | 0 | 0 | 0 | 111.4 | G29 N30 H31 S35 G36 Y38 A41 Y45 L61 T65 | G29-L33 PolarHBondContact O-N 2.94Å; N30-L33 PolarHBondContact O-N 3.16Å; H31-L33 VanDerWaalsContact C-N 3.34Å; H31-L33 PolarHBondContact O-N 3.31Å; L33-S35 VanDerWaalsContact C-N 3.34Å; L33-S35 PolarHBondContact O-N 3.18Å; L33-G36 PolarHBondContact O-N 2.89Å; L33-G36 VanDerWaalsContact O-N 3.11Å; L33-Y38 HydrophobicContact CD1-CD1 3.92Å; L33-Y38 HydrophobicContact CD1-CE1 3.95Å; L33-A41 HydrophobicContact CB-CB 4.1Å; L33-Y45 HydrophobicContact CD2-CE2 4.49Å; L33-L61 HydrophobicContact CD2-CD2 4.26Å; L33-T65 HydrophobicContact CD1-CG2 4.31Å |
| 34 | V | 93.1 | Very high | 94.8 | Very high | 109 Ų | 109 | 47 Ų | 47 | 66% | 0.661 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -65.9 | -35.9 | -178.4 | 173.1 | 0 | 0 | 0 | 0 | 112.1 | N30 H31 G36 | N30-V34 WeakPolarHBondContact O-CG2 3.36Å; N30-V34 PolarHBondContact O-N 3.27Å; H31-V34 PolarHBondContact O-N 2.97Å; V34-G36 PolarHBondContact O-N 3.03Å |
| 35 | S | 91.4 | Very high | 95 | Very high | 60 Ų | 60 | 45.9 Ų | 45.9 | 42% | 0.42 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -7.1 | 175.6 | 57.4 | 0 | 0 | 0 | 0 | 113.9 | H31 S32 L33 S37 | H31-S35 WeakPolarHBondContact O-CB 3.48Å; H31-S35 PolarHBondContact O-N 2.88Å; H31-S35 PolarHBondContact O-OG 2.96Å; S32-S35 WeakPolarHBondContact CA-OG 3.49Å; S32-S35 PolarHBondContact O-OG 3.3Å; S32-S35 VanDerWaalsContact O-OG 3.07Å; L33-S35 VanDerWaalsContact C-N 3.34Å; L33-S35 PolarHBondContact O-N 3.18Å; S35-S37 VanDerWaalsContact C-N 3.32Å |
| 36 | G | 92.2 | Very high | 95.1 | Very high | 15 Ų | 15 | 49.6 Ų | 49.6 | 16% | 0.155 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 8.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | S32 L33 V34 Y38 R72 | S32-G36 PolarHBondContact O-N 3Å; L33-G36 PolarHBondContact O-N 2.89Å; L33-G36 VanDerWaalsContact O-N 3.11Å; V34-G36 PolarHBondContact O-N 3.03Å; G36-Y38 PolarHBondContact O-N 3.47Å; G36-R72 PolarHBondContact O-NH2 2.93Å |
| 37 | S | 93.4 | Very high | 95.1 | Very high | 56 Ų | 56 | 50.3 Ų | 50.3 | 39% | 0.392 | 27% | 0.272 | S | S | . | . | trans | -81.7 | 64.9 | 171.7 | -65.9 | 0 | 0 | 0 | 0 | 110.8 | S32 S35 Q39 C40 A41 | S32-S37 CarbonylContact O-C 3.6Å; S32-S37 WeakPolarHBondContact O-CA 3.18Å; S32-S37 PolarHBondContact O-N 3.31Å; S35-S37 VanDerWaalsContact C-N 3.32Å; S37-Q39 VanDerWaalsContact C-N 3.3Å; S37-Q39 PolarHBondContact O-N 2.93Å; S37-C40 PolarHBondContact O-N 2.7Å; S37-C40 VanDerWaalsContact O-N 3.15Å; S37-A41 PolarHBondContact O-N 2.72Å | ||
| 38 | Y | 94.6 | Very high | 95.3 | Very high | 37 Ų | 37 | 46 Ų | 46 | 15% | 0.145 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.9 | -33 | -170.9 | -56.3 | -43.2 | 0 | 0 | 0 | 114.2 | L33 G36 A41 L42 T65 N68 I69 R72 | L33-Y38 HydrophobicContact CD1-CD1 3.92Å; L33-Y38 HydrophobicContact CD1-CE1 3.95Å; G36-Y38 PolarHBondContact O-N 3.47Å; Y38-A41 WeakPolarHBondContact O-CB 3.49Å; Y38-A41 PolarHBondContact O-N 2.99Å; Y38-L42 WeakPolarHBondContact O-CG 3.36Å; Y38-L42 PolarHBondContact O-N 3.11Å; Y38-T65 HydrophobicContact CD1-CG2 4.13Å; Y38-T65 HydrophobicContact CG-CG2 4.23Å; Y38-N68 HydrophobicContact CD1-CB 4.47Å; Y38-N68 HydrophobicContact CE1-CB 3.84Å; Y38-N68 HydrophobicContact CE2-CB 3.99Å; Y38-I69 HydrophobicContact CD2-CB 4.38Å; Y38-I69 HydrophobicContact CD2-CG1 3.42Å; Y38-I69 VanDerWaalsContact CD2-CG1 3.42Å; Y38-I69 HydrophobicContact CE2-CG1 4.33Å; Y38-I69 HydrophobicContact CG-CD1 4.45Å; Y38-I69 HydrophobicContact CG-CG1 3.76Å; Y38-R72 HydrophobicContact CE2-CG 4.39Å |
| 39 | Q | 94.7 | Very high | 95.5 | Very high | 162 Ų | 162 | 47.2 Ų | 47.2 | 76% | 0.757 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -63.9 | -44.3 | 176.1 | -70.3 | 178.4 | -23 | 0 | 0 | 111.6 | S37 A41 L42 L43 | S37-Q39 VanDerWaalsContact C-N 3.3Å; S37-Q39 PolarHBondContact O-N 2.93Å; Q39-A41 VanDerWaalsContact C-N 3.31Å; Q39-A41 PolarHBondContact O-N 2.96Å; Q39-L42 PolarHBondContact O-N 3.42Å; Q39-L43 WeakPolarHBondContact O-CG 3.32Å; Q39-L43 PolarHBondContact O-N 2.71Å; Q39-L43 VanDerWaalsContact O-N 3.09Å |
| 40 | C | 94.8 | Very high | 95.6 | Very high | 62 Ų | 62 | 57.4 Ų | 57.4 | 42% | 0.419 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 175 | -58 | 0 | 0 | 0 | 0 | 111.3 | S37 L43 E44 | S37-C40 PolarHBondContact O-N 2.7Å; S37-C40 VanDerWaalsContact O-N 3.15Å; C40-L43 PolarHBondContact O-N 2.98Å; C40-E44 PolarHBondContact O-N 2.91Å |
| 41 | A | 97.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.8 | -47.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | G29 L33 S37 Y38 Q39 L43 E44 Y45 T65 | G29-A41 WeakPolarHBondContact O-CB 3.48Å; L33-A41 HydrophobicContact CB-CB 4.1Å; S37-A41 PolarHBondContact O-N 2.72Å; Y38-A41 WeakPolarHBondContact O-CB 3.49Å; Y38-A41 PolarHBondContact O-N 2.99Å; Q39-A41 VanDerWaalsContact C-N 3.31Å; Q39-A41 PolarHBondContact O-N 2.96Å; A41-L43 VanDerWaalsContact C-N 3.33Å; A41-L43 PolarHBondContact O-N 3.45Å; A41-E44 PolarHBondContact O-N 3.22Å; A41-Y45 HydrophobicContact CB-CD2 4.25Å; A41-Y45 HydrophobicContact CB-CE2 3.79Å; A41-Y45 WeakPolarHBondContact O-CB 3.37Å; A41-Y45 WeakPolarHBondContact O-CD2 3.25Å; A41-Y45 PolarHBondContact O-N 3.37Å; A41-T65 HydrophobicContact CB-CG2 4.25Å |
| 42 | L | 97.7 | Very high | 95.7 | Very high | 24 Ų | 24 | 59.7 Ų | 59.7 | 13% | 0.126 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.4 | -38.4 | 178 | -72.7 | 174.8 | 0 | 0 | 0 | 112.7 | Y38 Q39 Y45 F46 I62 T65 L66 I69 | Y38-L42 WeakPolarHBondContact O-CG 3.36Å; Y38-L42 PolarHBondContact O-N 3.11Å; Q39-L42 PolarHBondContact O-N 3.42Å; L42-Y45 PolarHBondContact O-N 3.07Å; L42-F46 HydrophobicContact CB-CD2 4.23Å; L42-F46 HydrophobicContact CB-CE2 4.11Å; L42-F46 HydrophobicContact CD2-CE2 4.23Å; L42-F46 WeakPolarHBondContact O-CB 3.36Å; L42-F46 WeakPolarHBondContact O-CD2 3.13Å; L42-F46 WeakPolarHBondContact O-CG 3.47Å; L42-F46 PolarHBondContact O-N 2.81Å; L42-I62 HydrophobicContact CD2-CG2 4.02Å; L42-T65 HydrophobicContact CD1-CG2 4.42Å; L42-T65 HydrophobicContact CD2-CG2 3.87Å; L42-T65 HydrophobicContact CG-CG2 3.76Å; L42-L66 HydrophobicContact CD1-CD2 4.08Å; L42-L66 HydrophobicContact CD2-CD2 4.46Å; L42-L66 HydrophobicContact CD2-CG 4.36Å; L42-I69 HydrophobicContact CD1-CD1 3.83Å |
| 43 | L | 97 | Very high | 95.8 | Very high | 129 Ų | 129 | 62.9 Ų | 62.9 | 68% | 0.675 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -59.4 | -49.2 | 176.6 | -72 | 173 | 0 | 0 | 0 | 111.7 | Q39 C40 A41 Y45 F46 F47 | Q39-L43 WeakPolarHBondContact O-CG 3.32Å; Q39-L43 PolarHBondContact O-N 2.71Å; Q39-L43 VanDerWaalsContact O-N 3.09Å; C40-L43 PolarHBondContact O-N 2.98Å; A41-L43 VanDerWaalsContact C-N 3.33Å; A41-L43 PolarHBondContact O-N 3.45Å; L43-Y45 VanDerWaalsContact C-N 3.34Å; L43-F46 PolarHBondContact O-N 2.99Å; L43-F47 WeakPolarHBondContact O-CB 3.48Å; L43-F47 PolarHBondContact O-N 3.12Å |
| 44 | E | 96.5 | Very high | 95.9 | Very high | 47 Ų | 47 | 66.2 Ų | 66.2 | 22% | 0.22 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 177.1 | -64.6 | -72.6 | -167.4 | 0 | 0 | 111.1 | A25 N28 C40 A41 F47 I48 | A25-E44 WeakPolarHBondContact CA-OE2 3.46Å; A25-E44 WeakPolarHBondContact CB-OE2 3.33Å; N28-E44 HydrophobicContact CB-CG 4.1Å; N28-E44 VanDerWaalsContact CB-OE1 3.3Å; N28-E44 WeakPolarHBondContact CB-OE1 3.42Å; C40-E44 PolarHBondContact O-N 2.91Å; A41-E44 PolarHBondContact O-N 3.22Å; E44-F47 WeakPolarHBondContact O-CB 3.39Å; E44-F47 PolarHBondContact O-N 3.33Å; E44-I48 VanDerWaalsContact O-CG1 3.29Å; E44-I48 WeakPolarHBondContact O-CG1 3.46Å; E44-I48 PolarHBondContact O-N 3.02Å |
| 45 | Y | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.7 | -37.6 | -179.2 | -62.5 | -33.2 | 0 | 0 | 0 | 113.4 | G29 N30 L33 A41 L42 L43 F47 I48 L49 I58 L61 I62 T65 | G29-Y45 VanDerWaalsContact C-OH 3.31Å; G29-Y45 PolarHBondContact O-OH 2.93Å; N30-Y45 WeakPolarHBondContact CA-OH 3.49Å; N30-Y45 PolarHBondContact N-OH 3Å; N30-Y45 PolarHBondContact OD1-OH 3.23Å; L33-Y45 HydrophobicContact CD2-CE2 4.49Å; A41-Y45 HydrophobicContact CB-CD2 4.25Å; A41-Y45 HydrophobicContact CB-CE2 3.79Å; A41-Y45 WeakPolarHBondContact O-CB 3.37Å; A41-Y45 WeakPolarHBondContact O-CD2 3.25Å; A41-Y45 PolarHBondContact O-N 3.37Å; L42-Y45 PolarHBondContact O-N 3.07Å; L43-Y45 VanDerWaalsContact C-N 3.34Å; Y45-F47 VanDerWaalsContact C-N 3.34Å; Y45-I48 HydrophobicContact CD1-CD1 4.25Å; Y45-I48 PolarHBondContact O-N 3.49Å; Y45-L49 WeakPolarHBondContact O-CB 3.49Å; Y45-L49 PolarHBondContact O-N 3.02Å; Y45-I58 HydrophobicContact CD1-CD1 3.7Å; Y45-I58 HydrophobicContact CG-CD1 3.92Å; Y45-I58 WeakPolarHBondContact O-CD1 3.34Å; Y45-I58 WeakPolarHBondContact O-CG1 3.45Å; Y45-L61 HydrophobicContact CD1-CB 4.35Å; Y45-L61 HydrophobicContact CD1-CD1 4.3Å; Y45-L61 HydrophobicContact CD2-CB 4.18Å; Y45-L61 HydrophobicContact CE1-CB 4.09Å; Y45-L61 HydrophobicContact CE1-CD1 3.74Å; Y45-L61 HydrophobicContact CE1-CG 4.41Å; Y45-L61 HydrophobicContact CE2-CB 3.92Å; Y45-L61 HydrophobicContact CG-CB 4.4Å; Y45-I62 HydrophobicContact CD2-CG1 4.4Å; Y45-I62 HydrophobicContact CG-CG1 4.34Å; Y45-T65 WeakPolarHBondContact CE2-OG1 3.37Å |
| 46 | F | 98 | Very high | 96.3 | Very high | 82 Ų | 82 | 61.9 Ų | 61.9 | 36% | 0.36 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69.3 | -33.2 | 173.6 | -75.7 | -53.7 | 0 | 0 | 0 | 112.5 | L42 L43 I48 L49 R50 I62 F88 | L42-F46 HydrophobicContact CB-CD2 4.23Å; L42-F46 HydrophobicContact CB-CE2 4.11Å; L42-F46 HydrophobicContact CD2-CE2 4.23Å; L42-F46 WeakPolarHBondContact O-CB 3.36Å; L42-F46 WeakPolarHBondContact O-CD2 3.13Å; L42-F46 WeakPolarHBondContact O-CG 3.47Å; L42-F46 PolarHBondContact O-N 2.81Å; L43-F46 PolarHBondContact O-N 2.99Å; F46-I48 VanDerWaalsContact C-N 3.32Å; F46-L49 HydrophobicContact CD1-CD2 3.98Å; F46-L49 HydrophobicContact CE1-CD2 4.26Å; F46-L49 PolarHBondContact O-N 3.28Å; F46-R50 WeakPolarHBondContact O-CG 3.44Å; F46-R50 PolarHBondContact O-N 3.27Å; F46-R50 VanDerWaalsContact O-N 3.14Å; F46-I62 HydrophobicContact CD1-CD1 4.1Å; F46-I62 HydrophobicContact CE1-CD1 4.02Å; F46-I62 HydrophobicContact CE1-CG2 4.46Å; F46-I62 HydrophobicContact CZ-CG2 4.31Å; F46-F88 HydrophobicContact CE1-CE1 4.36Å; F46-F88 AromaticContact CE1-CZ 3.8Å; F46-F88 HydrophobicContact CE1-CZ 3.8Å; F46-F88 HydrophobicContact CZ-CZ 4.26Å |
| 47 | F | 96.9 | Very high | 96.6 | Very high | 53 Ų | 53 | 65 Ų | 65 | 23% | 0.232 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.5 | -44 | 171 | 169.4 | -88 | 0 | 0 | 0 | 111.6 | P19 A25 L43 E44 Y45 R51 | P19-F47 VanDerWaalsContact O-CZ 3.28Å; P19-F47 WeakPolarHBondContact O-CZ 3.49Å; A25-F47 HydrophobicContact CB-CD1 3.74Å; A25-F47 HydrophobicContact CB-CE1 3.95Å; L43-F47 WeakPolarHBondContact O-CB 3.48Å; L43-F47 PolarHBondContact O-N 3.12Å; E44-F47 WeakPolarHBondContact O-CB 3.39Å; E44-F47 PolarHBondContact O-N 3.33Å; Y45-F47 VanDerWaalsContact C-N 3.34Å; F47-R51 VanDerWaalsContact CD2-NH1 3.29Å; F47-R51 VanDerWaalsContact CE2-NH2 3.33Å |
| 48 | I | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.5 | -46.7 | 176.3 | -63 | 162.1 | 0 | 0 | 0 | 110.9 | I22 A25 F26 E44 Y45 F46 R50 R51 C52 I58 | I22-I48 HydrophobicContact CG2-CG1 4.32Å; I22-I48 HydrophobicContact CG2-CG2 4.12Å; A25-I48 HydrophobicContact CB-CD1 3.88Å; A25-I48 HydrophobicContact CB-CG1 3.71Å; F26-I48 HydrophobicContact CB-CD1 4.34Å; F26-I48 HydrophobicContact CD1-CD1 3.77Å; F26-I48 HydrophobicContact CD2-CD1 3.94Å; F26-I48 HydrophobicContact CE1-CD1 4Å; F26-I48 HydrophobicContact CE1-CG2 4.33Å; F26-I48 HydrophobicContact CE2-CD1 4.16Å; F26-I48 HydrophobicContact CE2-CG2 3.78Å; F26-I48 HydrophobicContact CG-CD1 3.73Å; F26-I48 HydrophobicContact CZ-CD1 4.19Å; F26-I48 HydrophobicContact CZ-CG2 3.65Å; E44-I48 VanDerWaalsContact O-CG1 3.29Å; E44-I48 WeakPolarHBondContact O-CG1 3.46Å; E44-I48 PolarHBondContact O-N 3.02Å; Y45-I48 HydrophobicContact CD1-CD1 4.25Å; Y45-I48 PolarHBondContact O-N 3.49Å; F46-I48 VanDerWaalsContact C-N 3.32Å; I48-R50 VanDerWaalsContact C-N 3.25Å; I48-R50 PolarHBondContact O-N 2.96Å; I48-R51 CarbonylContact O-C 3.6Å; I48-R51 PolarHBondContact O-N 2.92Å; I48-C52 PolarHBondContact O-N 3.17Å; I48-I58 HydrophobicContact CB-CD1 3.88Å; I48-I58 HydrophobicContact CB-CG1 4.19Å; I48-I58 HydrophobicContact CD1-CD1 4.13Å; I48-I58 HydrophobicContact CG2-CB 4.39Å; I48-I58 HydrophobicContact CG2-CD1 3.88Å; I48-I58 HydrophobicContact CG2-CG1 3.98Å |
| 49 | L | 97.8 | Very high | 97 | Very high | 27 Ų | 27 | 61.9 Ų | 61.9 | 14% | 0.141 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56 | -40.5 | -177.9 | 179.1 | 65.7 | 0 | 0 | 0 | 112 | Y45 F46 R51 C52 I58 Y59 I62 F88 | Y45-L49 WeakPolarHBondContact O-CB 3.49Å; Y45-L49 PolarHBondContact O-N 3.02Å; F46-L49 HydrophobicContact CD1-CD2 3.98Å; F46-L49 HydrophobicContact CE1-CD2 4.26Å; F46-L49 PolarHBondContact O-N 3.28Å; L49-R51 PolarHBondContact O-N 3.48Å; L49-C52 CarbonylContact O-C 3.59Å; L49-I58 HydrophobicContact CB-CG1 4.08Å; L49-I58 HydrophobicContact CB-CG2 4.46Å; L49-I58 HydrophobicContact CD1-CG2 3.68Å; L49-Y59 HydrophobicContact CD1-CD1 4.49Å; L49-Y59 HydrophobicContact CD1-CD2 4.41Å; L49-Y59 HydrophobicContact CD1-CE1 3.83Å; L49-Y59 HydrophobicContact CD1-CE2 3.74Å; L49-Y59 VanDerWaalsContact CD1-CZ 3.42Å; L49-I62 HydrophobicContact CB-CD1 4.32Å; L49-I62 HydrophobicContact CD2-CD1 3.94Å; L49-F88 HydrophobicContact CD2-CE1 4.03Å |
| 50 | R | 97.1 | Very high | 97.2 | Very high | 215 Ų | 215 | 55.2 Ų | 55.2 | 81% | 0.811 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -62.1 | -25.6 | 176.8 | -74.2 | 178.4 | -179.3 | -168.1 | 1.3 | 113.7 | F46 I48 | F46-R50 WeakPolarHBondContact O-CG 3.44Å; F46-R50 PolarHBondContact O-N 3.27Å; F46-R50 VanDerWaalsContact O-N 3.14Å; I48-R50 VanDerWaalsContact C-N 3.25Å; I48-R50 PolarHBondContact O-N 2.96Å |
| 51 | R | 96.6 | Very high | 97.3 | Very high | 107 Ų | 107 | 53.3 Ų | 53.3 | 40% | 0.404 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -100.9 | -31 | -177.9 | -71.1 | 172 | 169.1 | 70.6 | -3.5 | 112.8 | D20 I22 F47 I48 L49 P53 | D20-R51 IonicContact OD1-CZ 3.72Å; D20-R51 IonicContact OD1-NE 3.89Å; D20-R51 IonicContact OD1-NH2 2.7Å; D20-R51 PolarHBondContact OD1-NH2 2.97Å; I22-R51 HydrophobicContact CD1-CB 4.14Å; F47-R51 VanDerWaalsContact CD2-NH1 3.29Å; F47-R51 VanDerWaalsContact CE2-NH2 3.33Å; I48-R51 CarbonylContact O-C 3.6Å; I48-R51 PolarHBondContact O-N 2.92Å; L49-R51 PolarHBondContact O-N 3.48Å; R51-P53 VanDerWaalsContact C-CD 3.49Å |
| 52 | C | 95.5 | Very high | 97.4 | Very high | 36 Ų | 36 | 53.3 Ų | 53.3 | 24% | 0.243 | 27% | 0.266 | C | S | . | . | trans | -129.6 | 65.1 | -178.1 | -61.1 | 0 | 0 | 0 | 0 | 111.7 | I48 L49 S54 N55 | I48-C52 PolarHBondContact O-N 3.17Å; L49-C52 CarbonylContact O-C 3.59Å; C52-S54 PolarHBondContact O-N 3.32Å; C52-N55 HydrophobicContact CB-CB 4.17Å; C52-N55 PolarHBondContact O-N 2.97Å | ||
| 53 | P | 96.6 | Very high | 97.4 | Very high | 75 Ų | 75 | 52.2 Ų | 52.2 | 49% | 0.487 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -11 | -177.9 | 30.2 | -37 | 0 | 0 | 0 | 113.8 | R51 Y59 | R51-P53 VanDerWaalsContact C-CD 3.49Å; P53-Y59 VanDerWaalsContact O-CE2 3.25Å; P53-Y59 WeakPolarHBondContact O-CE2 3.41Å; P53-Y59 PolarHBondContact O-OH 3.44Å |
| 54 | S | 96.4 | Very high | 97.4 | Very high | 95 Ų | 95 | 48.5 Ų | 48.5 | 66% | 0.664 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -4.1 | 176.3 | 55.3 | 0 | 0 | 0 | 0 | 113.7 | C52 P56 I95 | C52-S54 PolarHBondContact O-N 3.32Å; S54-P56 VanDerWaalsContact O-CD 3.26Å; S54-P56 WeakPolarHBondContact O-CD 3.37Å; S54-I95 WeakPolarHBondContact O-CG2 3.33Å |
| 55 | N | 96.6 | Very high | 97.5 | Very high | 48 Ų | 48 | 46.3 Ų | 46.3 | 26% | 0.257 | 23% | 0.232 | S | C | . | . | trans | -84.5 | 111.3 | -175.9 | -174.6 | -15.4 | 0 | 0 | 0 | 110.8 | C52 L57 I58 Y59 | C52-N55 HydrophobicContact CB-CB 4.17Å; C52-N55 PolarHBondContact O-N 2.97Å; N55-L57 PolarHBondContact O-N 3.26Å; N55-L57 VanDerWaalsContact OD1-CB 3.32Å; N55-L57 WeakPolarHBondContact OD1-CB 3.45Å; N55-L57 PolarHBondContact OD1-N 2.92Å; N55-I58 HydrophobicContact CB-CG2 4.37Å; N55-I58 WeakPolarHBondContact O-CG2 3.47Å; N55-I58 PolarHBondContact O-N 3.01Å; N55-Y59 WeakPolarHBondContact O-CD2 3.42Å | ||
| 56 | P | 97.3 | Very high | 97.4 | Very high | 30 Ų | 30 | 46.7 Ų | 46.7 | 20% | 0.195 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.5 | -31.9 | -178.3 | 23.6 | -32.9 | 0 | 0 | 0 | 113 | S54 I58 Y59 L60 Y92 I95 R96 | S54-P56 VanDerWaalsContact O-CD 3.26Å; S54-P56 WeakPolarHBondContact O-CD 3.37Å; P56-I58 PolarHBondContact O-N 3.02Å; P56-Y59 PolarHBondContact O-N 3.02Å; P56-L60 PolarHBondContact O-N 3.5Å; P56-L60 VanDerWaalsContact O-N 3.16Å; P56-Y92 HydrophobicContact CB-CD2 3.83Å; P56-Y92 HydrophobicContact CB-CE2 4.19Å; P56-Y92 VanDerWaalsContact O-CD2 3.31Å; P56-Y92 WeakPolarHBondContact O-CD2 3.34Å; P56-I95 HydrophobicContact CB-CB 4.39Å; P56-I95 HydrophobicContact CB-CG2 4.02Å; P56-I95 HydrophobicContact CG-CG2 4.38Å; P56-R96 HydrophobicContact CB-CB 3.95Å |
| 57 | L | 97.4 | Very high | 97.3 | Very high | 81 Ų | 81 | 43 Ų | 43 | 42% | 0.424 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.4 | -34.2 | -179 | -179.9 | 60.9 | 0 | 0 | 0 | 112 | F26 N55 Y59 L60 L61 | F26-L57 HydrophobicContact CE1-CD2 4.25Å; N55-L57 PolarHBondContact O-N 3.26Å; N55-L57 VanDerWaalsContact OD1-CB 3.32Å; N55-L57 WeakPolarHBondContact OD1-CB 3.45Å; N55-L57 PolarHBondContact OD1-N 2.92Å; L57-Y59 VanDerWaalsContact C-N 3.35Å; L57-Y59 PolarHBondContact O-N 3.47Å; L57-L60 HydrophobicContact CD1-CD2 4.34Å; L57-L60 PolarHBondContact O-N 3.39Å; L57-L61 HydrophobicContact CD1-CD1 4.22Å; L57-L61 HydrophobicContact CD1-CG 4.12Å; L57-L61 HydrophobicContact CG-CD1 3.93Å; L57-L61 HydrophobicContact CG-CG 4.29Å; L57-L61 VanDerWaalsContact O-CG 3.3Å; L57-L61 WeakPolarHBondContact O-CG 3.34Å; L57-L61 PolarHBondContact O-N 2.88Å |
| 58 | I | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69 | -36.8 | -177.9 | -165.1 | 58 | 0 | 0 | 0 | 111.9 | F26 Y45 I48 L49 N55 P56 L61 I62 | F26-I58 HydrophobicContact CE1-CD1 4.27Å; Y45-I58 HydrophobicContact CD1-CD1 3.7Å; Y45-I58 HydrophobicContact CG-CD1 3.92Å; Y45-I58 WeakPolarHBondContact O-CD1 3.34Å; Y45-I58 WeakPolarHBondContact O-CG1 3.45Å; I48-I58 HydrophobicContact CB-CD1 3.88Å; I48-I58 HydrophobicContact CB-CG1 4.19Å; I48-I58 HydrophobicContact CD1-CD1 4.13Å; I48-I58 HydrophobicContact CG2-CB 4.39Å; I48-I58 HydrophobicContact CG2-CD1 3.88Å; I48-I58 HydrophobicContact CG2-CG1 3.98Å; L49-I58 HydrophobicContact CB-CG1 4.08Å; L49-I58 HydrophobicContact CB-CG2 4.46Å; L49-I58 HydrophobicContact CD1-CG2 3.68Å; N55-I58 HydrophobicContact CB-CG2 4.37Å; N55-I58 WeakPolarHBondContact O-CG2 3.47Å; N55-I58 PolarHBondContact O-N 3.01Å; P56-I58 PolarHBondContact O-N 3.02Å; I58-L61 PolarHBondContact O-N 3.21Å; I58-I62 HydrophobicContact CG1-CD1 4.13Å; I58-I62 VanDerWaalsContact O-CG1 3.27Å; I58-I62 WeakPolarHBondContact O-CG1 3.33Å; I58-I62 PolarHBondContact O-N 2.97Å |
| 59 | Y | 98.5 | Very high | 97 | Very high | 27 Ų | 27 | 43.5 Ų | 43.5 | 11% | 0.106 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.3 | -41.6 | 175.4 | -67.9 | -88.9 | 0 | 0 | 0 | 111.3 | L49 P53 N55 P56 L57 I62 G63 F88 K91 I95 | L49-Y59 HydrophobicContact CD1-CD1 4.49Å; L49-Y59 HydrophobicContact CD1-CD2 4.41Å; L49-Y59 HydrophobicContact CD1-CE1 3.83Å; L49-Y59 HydrophobicContact CD1-CE2 3.74Å; L49-Y59 VanDerWaalsContact CD1-CZ 3.42Å; P53-Y59 VanDerWaalsContact O-CE2 3.25Å; P53-Y59 WeakPolarHBondContact O-CE2 3.41Å; P53-Y59 PolarHBondContact O-OH 3.44Å; N55-Y59 WeakPolarHBondContact O-CD2 3.42Å; P56-Y59 PolarHBondContact O-N 3.02Å; L57-Y59 VanDerWaalsContact C-N 3.35Å; L57-Y59 PolarHBondContact O-N 3.47Å; Y59-I62 PolarHBondContact O-N 3.41Å; Y59-G63 PolarHBondContact O-N 3.43Å; Y59-F88 AromaticContact CD1-CD1 3.72Å; Y59-F88 HydrophobicContact CD1-CD1 3.72Å; Y59-F88 HydrophobicContact CD1-CE1 4.24Å; Y59-F88 HydrophobicContact CE1-CD1 4.36Å; Y59-F88 HydrophobicContact CE1-CE1 4.46Å; Y59-K91 HydrophobicContact CD1-CB 3.71Å; Y59-K91 HydrophobicContact CD1-CG 3.5Å; Y59-K91 HydrophobicContact CE1-CB 4.05Å; Y59-K91 HydrophobicContact CE1-CG 3.34Å; Y59-K91 HydrophobicContact CG-CB 4.41Å; Y59-K91 HydrophobicContact CG-CG 4.23Å; Y59-I95 HydrophobicContact CD2-CD1 3.64Å; Y59-I95 HydrophobicContact CE1-CD1 4.49Å; Y59-I95 HydrophobicContact CE2-CD1 3.28Å; Y59-I95 HydrophobicContact CG-CD1 4.38Å |
| 60 | L | 98.4 | Very high | 96.8 | Very high | 22 Ų | 22 | 42.2 Ų | 42.2 | 12% | 0.115 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.5 | -48.9 | 173.6 | 177.9 | 62.3 | 0 | 0 | 0 | 111.4 | P56 L57 G63 V64 L89 Y92 N105 | P56-L60 PolarHBondContact O-N 3.5Å; P56-L60 VanDerWaalsContact O-N 3.16Å; L57-L60 HydrophobicContact CD1-CD2 4.34Å; L57-L60 PolarHBondContact O-N 3.39Å; L60-G63 PolarHBondContact O-N 2.98Å; L60-V64 HydrophobicContact CD1-CG2 3.99Å; L60-V64 HydrophobicContact CG-CG2 4.41Å; L60-V64 WeakPolarHBondContact O-CB 3.01Å; L60-V64 VanDerWaalsContact O-CG2 3.26Å; L60-V64 WeakPolarHBondContact O-CG2 2.99Å; L60-V64 PolarHBondContact O-N 3.42Å; L60-L89 HydrophobicContact CD1-CD2 3.8Å; L60-Y92 HydrophobicContact CB-CD1 4.47Å; L60-Y92 HydrophobicContact CB-CD2 3.84Å; L60-Y92 HydrophobicContact CB-CE2 4.05Å; L60-Y92 HydrophobicContact CB-CG 4.05Å; L60-Y92 HydrophobicContact CD1-CD1 4.22Å; L60-Y92 HydrophobicContact CD1-CE1 4.05Å; L60-Y92 HydrophobicContact CD2-CE2 4.21Å; L60-N105 HydrophobicContact CD1-CB 4.24Å |
| 61 | L | 98.4 | Very high | 96.4 | Very high | 22 Ų | 22 | 34.3 Ų | 34.3 | 12% | 0.115 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.6 | -41.5 | -178.6 | -70.8 | 171.6 | 0 | 0 | 0 | 112.6 | F26 L33 Y45 L57 I58 T65 | F26-L61 HydrophobicContact CD1-CD1 4.14Å; F26-L61 HydrophobicContact CE1-CD1 3.97Å; L33-L61 HydrophobicContact CD2-CD2 4.26Å; Y45-L61 HydrophobicContact CD1-CB 4.35Å; Y45-L61 HydrophobicContact CD1-CD1 4.3Å; Y45-L61 HydrophobicContact CD2-CB 4.18Å; Y45-L61 HydrophobicContact CE1-CB 4.09Å; Y45-L61 HydrophobicContact CE1-CD1 3.74Å; Y45-L61 HydrophobicContact CE1-CG 4.41Å; Y45-L61 HydrophobicContact CE2-CB 3.92Å; Y45-L61 HydrophobicContact CG-CB 4.4Å; L57-L61 HydrophobicContact CD1-CD1 4.22Å; L57-L61 HydrophobicContact CD1-CG 4.12Å; L57-L61 HydrophobicContact CG-CD1 3.93Å; L57-L61 HydrophobicContact CG-CG 4.29Å; L57-L61 VanDerWaalsContact O-CG 3.3Å; L57-L61 WeakPolarHBondContact O-CG 3.34Å; L57-L61 PolarHBondContact O-N 2.88Å; I58-L61 PolarHBondContact O-N 3.21Å; L61-T65 WeakPolarHBondContact O-CB 3.47Å; L61-T65 PolarHBondContact O-N 3.22Å; L61-T65 PolarHBondContact O-OG1 3.39Å |
| 62 | I | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.5 | -48.6 | 174.7 | -66.9 | 168.1 | 0 | 0 | 0 | 110.1 | L42 Y45 F46 L49 I58 Y59 V64 T65 L66 F88 | L42-I62 HydrophobicContact CD2-CG2 4.02Å; Y45-I62 HydrophobicContact CD2-CG1 4.4Å; Y45-I62 HydrophobicContact CG-CG1 4.34Å; F46-I62 HydrophobicContact CD1-CD1 4.1Å; F46-I62 HydrophobicContact CE1-CD1 4.02Å; F46-I62 HydrophobicContact CE1-CG2 4.46Å; F46-I62 HydrophobicContact CZ-CG2 4.31Å; L49-I62 HydrophobicContact CB-CD1 4.32Å; L49-I62 HydrophobicContact CD2-CD1 3.94Å; I58-I62 HydrophobicContact CG1-CD1 4.13Å; I58-I62 VanDerWaalsContact O-CG1 3.27Å; I58-I62 WeakPolarHBondContact O-CG1 3.33Å; I58-I62 PolarHBondContact O-N 2.97Å; Y59-I62 PolarHBondContact O-N 3.41Å; I62-V64 PolarHBondContact O-N 3.32Å; I62-T65 WeakPolarHBondContact O-CB 3.31Å; I62-T65 PolarHBondContact O-N 2.87Å; I62-T65 VanDerWaalsContact O-N 3.17Å; I62-L66 HydrophobicContact CG2-CD1 3.85Å; I62-L66 HydrophobicContact CG2-CG 4.44Å; I62-L66 WeakPolarHBondContact O-CG 2.78Å; I62-L66 PolarHBondContact O-N 3.43Å; I62-F88 HydrophobicContact CB-CD1 3.99Å; I62-F88 HydrophobicContact CB-CE1 4.41Å; I62-F88 HydrophobicContact CB-CG 4.16Å; I62-F88 HydrophobicContact CD1-CD1 4.22Å; I62-F88 HydrophobicContact CD1-CE1 3.96Å; I62-F88 HydrophobicContact CG2-CB 4.29Å; I62-F88 HydrophobicContact CG2-CD1 3.67Å; I62-F88 HydrophobicContact CG2-CD2 3.6Å; I62-F88 HydrophobicContact CG2-CE1 3.87Å; I62-F88 HydrophobicContact CG2-CE2 3.78Å; I62-F88 HydrophobicContact CG2-CG 3.57Å; I62-F88 HydrophobicContact CG2-CZ 3.94Å |
| 63 | G | 98 | Very high | 95 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.2 | -51.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y59 L60 T65 L66 I67 | Y59-G63 PolarHBondContact O-N 3.43Å; L60-G63 PolarHBondContact O-N 2.98Å; G63-T65 VanDerWaalsContact C-N 3.3Å; G63-T65 PolarHBondContact O-N 3.39Å; G63-L66 PolarHBondContact O-N 3.47Å; G63-I67 VanDerWaalsContact O-CG1 3.3Å; G63-I67 WeakPolarHBondContact O-CG1 3.09Å; G63-I67 PolarHBondContact O-N 2.95Å |
| 64 | V | 97.4 | Very high | 94 | Very high | 52 Ų | 52 | 45.2 Ų | 45.2 | 32% | 0.315 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.3 | -40.4 | 176.5 | 169 | 0 | 0 | 0 | 0 | 111.7 | L60 I62 I67 N68 | L60-V64 HydrophobicContact CD1-CG2 3.99Å; L60-V64 HydrophobicContact CG-CG2 4.41Å; L60-V64 WeakPolarHBondContact O-CB 3.01Å; L60-V64 VanDerWaalsContact O-CG2 3.26Å; L60-V64 WeakPolarHBondContact O-CG2 2.99Å; L60-V64 PolarHBondContact O-N 3.42Å; I62-V64 PolarHBondContact O-N 3.32Å; V64-I67 PolarHBondContact O-N 3.19Å; V64-N68 WeakPolarHBondContact CG1-ND2 3.38Å; V64-N68 WeakPolarHBondContact O-CB 3.29Å; V64-N68 PolarHBondContact O-N 3.17Å; V64-N68 PolarHBondContact O-ND2 2.88Å |
| 65 | T | 97.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.6 | -43.6 | 177.9 | -57.1 | 0 | 0 | 0 | 0 | 111.4 | L33 Y38 A41 L42 Y45 L61 I62 G63 N68 I69 | L33-T65 HydrophobicContact CD1-CG2 4.31Å; Y38-T65 HydrophobicContact CD1-CG2 4.13Å; Y38-T65 HydrophobicContact CG-CG2 4.23Å; A41-T65 HydrophobicContact CB-CG2 4.25Å; L42-T65 HydrophobicContact CD1-CG2 4.42Å; L42-T65 HydrophobicContact CD2-CG2 3.87Å; L42-T65 HydrophobicContact CG-CG2 3.76Å; Y45-T65 WeakPolarHBondContact CE2-OG1 3.37Å; L61-T65 WeakPolarHBondContact O-CB 3.47Å; L61-T65 PolarHBondContact O-N 3.22Å; L61-T65 PolarHBondContact O-OG1 3.39Å; I62-T65 WeakPolarHBondContact O-CB 3.31Å; I62-T65 PolarHBondContact O-N 2.87Å; I62-T65 VanDerWaalsContact O-N 3.17Å; G63-T65 VanDerWaalsContact C-N 3.3Å; G63-T65 PolarHBondContact O-N 3.39Å; T65-N68 PolarHBondContact O-N 3.35Å; T65-I69 HydrophobicContact CG2-CD1 4.41Å; T65-I69 WeakPolarHBondContact O-CG1 3.46Å; T65-I69 PolarHBondContact O-N 3.23Å |
| 66 | L | 96.6 | Very high | 91.5 | Very high | 9 Ų | 9 | 49.5 Ų | 49.5 | 5% | 0.047 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68 | -39.7 | 177.8 | -69.6 | 168.8 | 0 | 0 | 0 | 112.5 | L42 I62 G63 N68 I69 A70 Q84 F88 | L42-L66 HydrophobicContact CD1-CD2 4.08Å; L42-L66 HydrophobicContact CD2-CD2 4.46Å; L42-L66 HydrophobicContact CD2-CG 4.36Å; I62-L66 HydrophobicContact CG2-CD1 3.85Å; I62-L66 HydrophobicContact CG2-CG 4.44Å; I62-L66 WeakPolarHBondContact O-CG 2.78Å; I62-L66 PolarHBondContact O-N 3.43Å; G63-L66 PolarHBondContact O-N 3.47Å; L66-N68 VanDerWaalsContact C-N 3.33Å; L66-I69 HydrophobicContact CD2-CD1 4.35Å; L66-I69 WeakPolarHBondContact O-CB 3.36Å; L66-I69 PolarHBondContact O-N 3.49Å; L66-A70 WeakPolarHBondContact O-CB 3.46Å; L66-A70 PolarHBondContact O-N 3.4Å; L66-Q84 HydrophobicContact CD1-CB 3.93Å; L66-F88 HydrophobicContact CD1-CD2 3.75Å; L66-F88 HydrophobicContact CD1-CE2 4.19Å |
| 67 | I | 95.6 | Very high | 90.4 | Very high | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.015 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 173.5 | -66.5 | -61.1 | 0 | 0 | 0 | 110.9 | G63 V64 A70 S71 F86 L89 Q112 M113 | G63-I67 VanDerWaalsContact O-CG1 3.3Å; G63-I67 WeakPolarHBondContact O-CG1 3.09Å; G63-I67 PolarHBondContact O-N 2.95Å; V64-I67 PolarHBondContact O-N 3.19Å; I67-A70 PolarHBondContact O-N 3.36Å; I67-S71 WeakPolarHBondContact O-CB 3.42Å; I67-S71 PolarHBondContact O-N 3.07Å; I67-S71 PolarHBondContact O-OG 3.25Å; I67-F86 HydrophobicContact CD1-CD2 3.93Å; I67-F86 HydrophobicContact CD1-CE2 3.7Å; I67-F86 HydrophobicContact CD1-CG 4.47Å; I67-F86 HydrophobicContact CD1-CZ 4.06Å; I67-L89 HydrophobicContact CG1-CD1 4.3Å; I67-Q112 HydrophobicContact CG2-CB 4.43Å; I67-Q112 HydrophobicContact CG2-CG 4.03Å; I67-M113 HydrophobicContact CD1-CG 4.06Å; I67-M113 HydrophobicContact CD1-SD 4.23Å; I67-M113 HydrophobicContact CG2-CG 4.13Å; I67-M113 HydrophobicContact CG2-SD 3.9Å |
| 68 | N | 94.5 | Very high | 89.6 | Confident | 37 Ų | 37 | 54.9 Ų | 54.9 | 20% | 0.198 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.1 | -39.9 | 173.7 | -82.1 | -44.3 | 0 | 0 | 0 | 112.8 | Y38 V64 T65 L66 S71 Q112 | Y38-N68 HydrophobicContact CD1-CB 4.47Å; Y38-N68 HydrophobicContact CE1-CB 3.84Å; Y38-N68 HydrophobicContact CE2-CB 3.99Å; V64-N68 WeakPolarHBondContact CG1-ND2 3.38Å; V64-N68 WeakPolarHBondContact O-CB 3.29Å; V64-N68 PolarHBondContact O-N 3.17Å; V64-N68 PolarHBondContact O-ND2 2.88Å; T65-N68 PolarHBondContact O-N 3.35Å; L66-N68 VanDerWaalsContact C-N 3.33Å; N68-S71 PolarHBondContact O-N 3.45Å; N68-Q112 PolarHBondContact OD1-NE2 2.95Å |
| 69 | I | 94.1 | Very high | 89 | Confident | 28 Ų | 28 | 59.4 Ų | 59.4 | 14% | 0.144 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.4 | -59.7 | 169.5 | -68.8 | 163.3 | 0 | 0 | 0 | 108.2 | Y38 L42 T65 L66 S71 R72 I75 C81 | Y38-I69 HydrophobicContact CD2-CB 4.38Å; Y38-I69 HydrophobicContact CD2-CG1 3.42Å; Y38-I69 VanDerWaalsContact CD2-CG1 3.42Å; Y38-I69 HydrophobicContact CE2-CG1 4.33Å; Y38-I69 HydrophobicContact CG-CD1 4.45Å; Y38-I69 HydrophobicContact CG-CG1 3.76Å; L42-I69 HydrophobicContact CD1-CD1 3.83Å; T65-I69 HydrophobicContact CG2-CD1 4.41Å; T65-I69 WeakPolarHBondContact O-CG1 3.46Å; T65-I69 PolarHBondContact O-N 3.23Å; L66-I69 HydrophobicContact CD2-CD1 4.35Å; L66-I69 WeakPolarHBondContact O-CB 3.36Å; L66-I69 PolarHBondContact O-N 3.49Å; I69-S71 PolarHBondContact O-N 2.92Å; I69-R72 WeakPolarHBondContact O-CB 3.37Å; I69-R72 PolarHBondContact O-N 3.17Å; I69-I75 HydrophobicContact CG2-CD1 3.69Å; I69-I75 WeakPolarHBondContact O-CD1 3.34Å; I69-C81 HydrophobicContact CG2-CB 4.35Å |
| 70 | A | 93 | Very high | 88.6 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56 | -25.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L66 I67 K78 C81 C82 M113 | L66-A70 WeakPolarHBondContact O-CB 3.46Å; L66-A70 PolarHBondContact O-N 3.4Å; I67-A70 PolarHBondContact O-N 3.36Å; A70-K78 HydrophobicContact CB-CG 4.36Å; A70-K78 VanDerWaalsContact O-CD 3.29Å; A70-K78 WeakPolarHBondContact O-CD 3.24Å; A70-K78 WeakPolarHBondContact O-CE 3.46Å; A70-K78 WeakPolarHBondContact O-CG 3.49Å; A70-C81 HydrophobicContact CB-CB 4.02Å; A70-C82 HydrophobicContact CB-CB 4.22Å; A70-M113 HydrophobicContact CB-CE 4.22Å; A70-M113 HydrophobicContact CB-SD 4.37Å |
| 71 | S | 89.2 | Confident | 88.3 | Confident | 48 Ų | 48 | 61.3 Ų | 61.3 | 34% | 0.336 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -76.8 | -16.5 | 178 | -59.5 | 0 | 0 | 0 | 0 | 114 | I67 N68 I69 Q112 | I67-S71 WeakPolarHBondContact O-CB 3.42Å; I67-S71 PolarHBondContact O-N 3.07Å; I67-S71 PolarHBondContact O-OG 3.25Å; N68-S71 PolarHBondContact O-N 3.45Å; I69-S71 PolarHBondContact O-N 2.92Å; S71-Q112 WeakPolarHBondContact OG-CG 3.42Å; S71-Q112 PolarHBondContact OG-NE2 3.49Å |
| 72 | R | 88 | Confident | 88 | Confident | 117 Ų | 117 | 61.4 Ų | 61.4 | 44% | 0.442 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -70.6 | 143.4 | 178.5 | -68.5 | -172.4 | 168.8 | 173.1 | 7.2 | 111.7 | G36 Y38 I69 I75 | G36-R72 PolarHBondContact O-NH2 2.93Å; Y38-R72 HydrophobicContact CE2-CG 4.39Å; I69-R72 WeakPolarHBondContact O-CB 3.37Å; I69-R72 PolarHBondContact O-N 3.17Å; R72-I75 HydrophobicContact CB-CD1 3.74Å; R72-I75 HydrophobicContact CB-CG1 4.45Å |
| 73 | R | 76.1 | Confident | 87.8 | Confident | 251 Ų | 251 | 67.1 Ų | 67.1 | 95% | 0.947 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | 137.7 | 172.4 | -65.1 | -177.2 | 179 | 175.7 | -0.7 | 109.7 | ||
| 74 | G | 74.9 | Confident | 87.7 | Confident | 79 Ų | 79 | 71.9 Ų | 71.9 | 81% | 0.814 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.1 | 12.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 75 | I | 71.8 | Confident | 87.7 | Confident | 55 Ų | 55 | 69.4 Ų | 69.4 | 28% | 0.282 | 36% | 0.359 | S | S | . | . | trans | -82.9 | 125.7 | 175.8 | -70.7 | 164.8 | 0 | 0 | 0 | 111 | I69 R72 Q77 | I69-I75 HydrophobicContact CG2-CD1 3.69Å; I69-I75 WeakPolarHBondContact O-CD1 3.34Å; R72-I75 HydrophobicContact CB-CD1 3.74Å; R72-I75 HydrophobicContact CB-CG1 4.45Å; I75-Q77 VanDerWaalsContact C-N 3.33Å; I75-Q77 PolarHBondContact O-N 2.96Å | ||
| 76 | L | 67.6 | Low | 87.7 | Confident | 178 Ų | 178 | 71.1 Ų | 71.1 | 93% | 0.932 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -31.3 | 179.3 | -67.2 | 168.9 | 0 | 0 | 0 | 113.2 | ||
| 77 | Q | 75.1 | Confident | 87.7 | Confident | 124 Ų | 124 | 73.9 Ų | 73.9 | 58% | 0.579 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.3 | 40.8 | -175.5 | -65.3 | 176.1 | 14.9 | 0 | 0 | 112.6 | I75 C79 D80 C81 | I75-Q77 VanDerWaalsContact C-N 3.33Å; I75-Q77 PolarHBondContact O-N 2.96Å; Q77-C79 VanDerWaalsContact C-N 3.27Å; Q77-C79 PolarHBondContact O-N 2.99Å; Q77-D80 HydrophobicContact CB-CB 4.35Å; Q77-D80 PolarHBondContact O-N 3.18Å; Q77-C81 PolarHBondContact O-N 3.26Å; Q77-C81 VanDerWaalsContact O-N 3.16Å |
| 78 | K | 80.9 | Confident | 87.9 | Confident | 101 Ų | 101 | 75.7 Ų | 75.7 | 44% | 0.439 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -57.9 | -40.2 | -175.4 | 177.8 | 168.8 | 175.8 | 171.9 | 0 | 112.4 | A70 C82 | A70-K78 HydrophobicContact CB-CG 4.36Å; A70-K78 VanDerWaalsContact O-CD 3.29Å; A70-K78 WeakPolarHBondContact O-CD 3.24Å; A70-K78 WeakPolarHBondContact O-CE 3.46Å; A70-K78 WeakPolarHBondContact O-CG 3.49Å; K78-C82 VanDerWaalsContact O-CB 3.24Å; K78-C82 WeakPolarHBondContact O-CB 3.3Å; K78-C82 PolarHBondContact O-N 3.14Å |
| 79 | C | 85.2 | Confident | 88 | Confident | 95 Ų | 95 | 74 Ų | 74 | 64% | 0.642 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -64.7 | -42.9 | 179.4 | -62.3 | 0 | 0 | 0 | 0 | 111.8 | Q77 C82 M83 | Q77-C79 VanDerWaalsContact C-N 3.27Å; Q77-C79 PolarHBondContact O-N 2.99Å; C79-C82 WeakPolarHBondContact O-CB 3.39Å; C79-C82 PolarHBondContact O-N 3.01Å; C79-M83 WeakPolarHBondContact O-CG 3.4Å; C79-M83 PolarHBondContact O-N 3.49Å |
| 80 | D | 90 | Very high | 88.2 | Confident | 68 Ų | 68 | 75 Ų | 75 | 36% | 0.364 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.3 | -46.1 | -179 | -58.5 | -36.4 | 0 | 0 | 0 | 111.6 | Q77 C82 M83 Q84 | Q77-D80 HydrophobicContact CB-CB 4.35Å; Q77-D80 PolarHBondContact O-N 3.18Å; D80-C82 VanDerWaalsContact C-N 3.29Å; D80-C82 PolarHBondContact O-N 3.11Å; D80-M83 PolarHBondContact O-N 3.16Å; D80-M83 WeakPolarHBondContact OD1-CE 3.4Å; D80-Q84 WeakPolarHBondContact O-CB 3.46Å; D80-Q84 VanDerWaalsContact O-CG 3.25Å; D80-Q84 WeakPolarHBondContact O-CG 3.41Å; D80-Q84 PolarHBondContact O-N 3.21Å |
| 81 | C | 91.2 | Very high | 88.4 | Confident | 20 Ų | 20 | 78.4 Ų | 78.4 | 14% | 0.135 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -61.9 | -38.3 | 175.3 | -65.5 | 0 | 0 | 0 | 0 | 111.9 | I69 A70 Q77 G85 | I69-C81 HydrophobicContact CG2-CB 4.35Å; A70-C81 HydrophobicContact CB-CB 4.02Å; Q77-C81 PolarHBondContact O-N 3.26Å; Q77-C81 VanDerWaalsContact O-N 3.16Å; C81-G85 PolarHBondContact O-N 3.48Å |
| 82 | C | 92.5 | Very high | 88.9 | Confident | 25 Ų | 25 | 76.1 Ų | 76.1 | 17% | 0.169 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.2 | -50.7 | 176.1 | -178.3 | 0 | 0 | 0 | 0 | 111.3 | A70 K78 C79 D80 Q84 G85 F86 M113 | A70-C82 HydrophobicContact CB-CB 4.22Å; K78-C82 VanDerWaalsContact O-CB 3.24Å; K78-C82 WeakPolarHBondContact O-CB 3.3Å; K78-C82 PolarHBondContact O-N 3.14Å; C79-C82 WeakPolarHBondContact O-CB 3.39Å; C79-C82 PolarHBondContact O-N 3.01Å; D80-C82 VanDerWaalsContact C-N 3.29Å; D80-C82 PolarHBondContact O-N 3.11Å; C82-Q84 PolarHBondContact O-N 3.43Å; C82-G85 PolarHBondContact O-N 3.41Å; C82-G85 VanDerWaalsContact O-N 3.16Å; C82-F86 VanDerWaalsContact O-CD2 3.31Å; C82-F86 WeakPolarHBondContact O-CD2 3.3Å; C82-F86 PolarHBondContact O-N 2.85Å; C82-F86 VanDerWaalsContact SG-CE2 3.59Å; C82-M113 HydrophobicContact CB-CE 4.18Å |
| 83 | M | 94.6 | Very high | 89.3 | Confident | 120 Ų | 120 | 73.5 Ų | 73.5 | 59% | 0.591 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -60.5 | -44.5 | 178.9 | -71.7 | -173.2 | -60.8 | 0 | 0 | 111.8 | C79 D80 F86 S87 | C79-M83 WeakPolarHBondContact O-CG 3.4Å; C79-M83 PolarHBondContact O-N 3.49Å; D80-M83 PolarHBondContact O-N 3.16Å; D80-M83 WeakPolarHBondContact OD1-CE 3.4Å; M83-F86 PolarHBondContact O-N 2.6Å; M83-S87 PolarHBondContact O-N 2.82Å |
| 84 | Q | 96 | Very high | 90.3 | Very high | 99 Ų | 99 | 68 Ų | 68 | 46% | 0.463 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 174.9 | -68 | 173.4 | 21.4 | 0 | 0 | 111.5 | L66 D80 C82 F86 S87 F88 | L66-Q84 HydrophobicContact CD1-CB 3.93Å; D80-Q84 WeakPolarHBondContact O-CB 3.46Å; D80-Q84 VanDerWaalsContact O-CG 3.25Å; D80-Q84 WeakPolarHBondContact O-CG 3.41Å; D80-Q84 PolarHBondContact O-N 3.21Å; C82-Q84 PolarHBondContact O-N 3.43Å; Q84-F86 VanDerWaalsContact C-N 3.34Å; Q84-F86 PolarHBondContact O-N 3.11Å; Q84-S87 PolarHBondContact O-N 3.49Å; Q84-S87 PolarHBondContact O-OG 3.43Å; Q84-F88 WeakPolarHBondContact O-CD2 3.32Å; Q84-F88 PolarHBondContact O-N 3.04Å; Q84-F88 VanDerWaalsContact O-N 3.1Å |
| 85 | G | 97.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57.3 | -47.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | C81 C82 F88 L89 | C81-G85 PolarHBondContact O-N 3.48Å; C82-G85 PolarHBondContact O-N 3.41Å; C82-G85 VanDerWaalsContact O-N 3.16Å; G85-F88 PolarHBondContact O-N 3.47Å; G85-L89 WeakPolarHBondContact O-CG 3.43Å; G85-L89 PolarHBondContact O-N 3.05Å; G85-L89 VanDerWaalsContact O-N 3.07Å |
| 86 | F | 97 | Very high | 92.5 | Very high | 36 Ų | 36 | 68.6 Ų | 68.6 | 16% | 0.158 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -70.1 | -29.4 | 177 | -77.7 | -67.3 | 0 | 0 | 0 | 113.9 | I67 C82 M83 Q84 L89 A90 A109 M110 M113 | I67-F86 HydrophobicContact CD1-CD2 3.93Å; I67-F86 HydrophobicContact CD1-CE2 3.7Å; I67-F86 HydrophobicContact CD1-CG 4.47Å; I67-F86 HydrophobicContact CD1-CZ 4.06Å; C82-F86 VanDerWaalsContact O-CD2 3.31Å; C82-F86 WeakPolarHBondContact O-CD2 3.3Å; C82-F86 PolarHBondContact O-N 2.85Å; C82-F86 VanDerWaalsContact SG-CE2 3.59Å; M83-F86 PolarHBondContact O-N 2.6Å; Q84-F86 VanDerWaalsContact C-N 3.34Å; Q84-F86 PolarHBondContact O-N 3.11Å; F86-L89 HydrophobicContact CD1-CD1 4Å; F86-L89 HydrophobicContact CE1-CD1 4.2Å; F86-L89 PolarHBondContact O-N 3.33Å; F86-A90 WeakPolarHBondContact O-CB 3.26Å; F86-A90 PolarHBondContact O-N 2.72Å; F86-A109 HydrophobicContact CE1-CB 3.91Å; F86-A109 HydrophobicContact CZ-CB 4.33Å; F86-M110 HydrophobicContact CD1-CE 3.83Å; F86-M110 HydrophobicContact CD1-SD 4.49Å; F86-M110 HydrophobicContact CE1-CE 3.4Å; F86-M110 VanDerWaalsContact CE1-CE 3.4Å; F86-M110 HydrophobicContact CE1-CG 4.26Å; F86-M110 HydrophobicContact CE1-SD 3.55Å; F86-M110 VanDerWaalsContact CE1-SD 3.55Å; F86-M110 HydrophobicContact CE2-SD 4.49Å; F86-M110 HydrophobicContact CZ-CE 3.98Å; F86-M110 HydrophobicContact CZ-CG 4.48Å; F86-M110 HydrophobicContact CZ-SD 3.55Å; F86-M110 VanDerWaalsContact CZ-SD 3.55Å; F86-M113 HydrophobicContact CE2-CG 3.96Å; F86-M113 HydrophobicContact CZ-CG 4.06Å |
| 87 | S | 97.8 | Very high | 93.8 | Very high | 68 Ų | 68 | 61.6 Ų | 61.6 | 48% | 0.476 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.7 | -39.3 | 174.4 | 74.3 | 0 | 0 | 0 | 0 | 112.1 | M83 Q84 A90 K91 | M83-S87 PolarHBondContact O-N 2.82Å; Q84-S87 PolarHBondContact O-N 3.49Å; Q84-S87 PolarHBondContact O-OG 3.43Å; S87-A90 PolarHBondContact O-N 3.28Å; S87-K91 PolarHBondContact O-N 3.06Å; S87-K91 VanDerWaalsContact O-N 3.1Å |
| 88 | F | 98.2 | Very high | 94.6 | Very high | 40 Ų | 40 | 60.1 Ų | 60.1 | 18% | 0.175 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.4 | -39.2 | 171.9 | -83.3 | -80.9 | 0 | 0 | 0 | 112.2 | F46 L49 Y59 I62 L66 Q84 G85 K91 Y92 | F46-F88 HydrophobicContact CE1-CE1 4.36Å; F46-F88 AromaticContact CE1-CZ 3.8Å; F46-F88 HydrophobicContact CE1-CZ 3.8Å; F46-F88 HydrophobicContact CZ-CZ 4.26Å; L49-F88 HydrophobicContact CD2-CE1 4.03Å; Y59-F88 AromaticContact CD1-CD1 3.72Å; Y59-F88 HydrophobicContact CD1-CD1 3.72Å; Y59-F88 HydrophobicContact CD1-CE1 4.24Å; Y59-F88 HydrophobicContact CE1-CD1 4.36Å; Y59-F88 HydrophobicContact CE1-CE1 4.46Å; I62-F88 HydrophobicContact CB-CD1 3.99Å; I62-F88 HydrophobicContact CB-CE1 4.41Å; I62-F88 HydrophobicContact CB-CG 4.16Å; I62-F88 HydrophobicContact CD1-CD1 4.22Å; I62-F88 HydrophobicContact CD1-CE1 3.96Å; I62-F88 HydrophobicContact CG2-CB 4.29Å; I62-F88 HydrophobicContact CG2-CD1 3.67Å; I62-F88 HydrophobicContact CG2-CD2 3.6Å; I62-F88 HydrophobicContact CG2-CE1 3.87Å; I62-F88 HydrophobicContact CG2-CE2 3.78Å; I62-F88 HydrophobicContact CG2-CG 3.57Å; I62-F88 HydrophobicContact CG2-CZ 3.94Å; L66-F88 HydrophobicContact CD1-CD2 3.75Å; L66-F88 HydrophobicContact CD1-CE2 4.19Å; Q84-F88 WeakPolarHBondContact O-CD2 3.32Å; Q84-F88 PolarHBondContact O-N 3.04Å; Q84-F88 VanDerWaalsContact O-N 3.1Å; G85-F88 PolarHBondContact O-N 3.47Å; F88-K91 PolarHBondContact O-N 2.98Å; F88-Y92 PolarHBondContact O-N 3.46Å |
| 89 | L | 98.1 | Very high | 95.2 | Very high | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.2 | -38.1 | 175.8 | -68.7 | 175.2 | 0 | 0 | 0 | 112.8 | L60 I67 G85 F86 K91 Y92 E93 M106 A109 | L60-L89 HydrophobicContact CD1-CD2 3.8Å; I67-L89 HydrophobicContact CG1-CD1 4.3Å; G85-L89 WeakPolarHBondContact O-CG 3.43Å; G85-L89 PolarHBondContact O-N 3.05Å; G85-L89 VanDerWaalsContact O-N 3.07Å; F86-L89 HydrophobicContact CD1-CD1 4Å; F86-L89 HydrophobicContact CE1-CD1 4.2Å; F86-L89 PolarHBondContact O-N 3.33Å; L89-K91 VanDerWaalsContact C-N 3.31Å; L89-K91 PolarHBondContact O-N 3.15Å; L89-Y92 VanDerWaalsContact O-CB 3.32Å; L89-Y92 WeakPolarHBondContact O-CB 3.38Å; L89-Y92 PolarHBondContact O-N 2.86Å; L89-E93 PolarHBondContact O-N 2.93Å; L89-M106 HydrophobicContact CB-SD 3.78Å; L89-M106 HydrophobicContact CD1-SD 4.48Å; L89-A109 HydrophobicContact CD1-CB 3.5Å; L89-A109 VanDerWaalsContact CD1-CB 3.5Å |
| 90 | A | 97.7 | Very high | 95.7 | Very high | 49 Ų | 49 | 51.5 Ų | 51.5 | 41% | 0.405 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.7 | -39.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | F86 S87 E93 E94 | F86-A90 WeakPolarHBondContact O-CB 3.26Å; F86-A90 PolarHBondContact O-N 2.72Å; S87-A90 PolarHBondContact O-N 3.28Å; A90-E93 PolarHBondContact O-N 2.91Å; A90-E94 PolarHBondContact O-N 3.46Å |
| 91 | K | 98.1 | Very high | 96 | Very high | 71 Ų | 71 | 50.9 Ų | 50.9 | 31% | 0.309 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68.6 | -34.7 | 174.6 | -168.9 | 57 | 173.4 | -175 | 0 | 112.6 | Y59 S87 F88 L89 E94 I95 | Y59-K91 HydrophobicContact CD1-CB 3.71Å; Y59-K91 HydrophobicContact CD1-CG 3.5Å; Y59-K91 HydrophobicContact CE1-CB 4.05Å; Y59-K91 HydrophobicContact CE1-CG 3.34Å; Y59-K91 HydrophobicContact CG-CB 4.41Å; Y59-K91 HydrophobicContact CG-CG 4.23Å; S87-K91 PolarHBondContact O-N 3.06Å; S87-K91 VanDerWaalsContact O-N 3.1Å; F88-K91 PolarHBondContact O-N 2.98Å; L89-K91 VanDerWaalsContact C-N 3.31Å; L89-K91 PolarHBondContact O-N 3.15Å; K91-E94 HydrophobicContact CD-CB 4.42Å; K91-E94 WeakPolarHBondContact CD-OE2 3.27Å; K91-E94 IonicContact NZ-OE1 2.71Å; K91-E94 PolarHBondContact NZ-OE1 2.91Å; K91-E94 IonicContact NZ-OE2 2.84Å; K91-E94 PolarHBondContact NZ-OE2 3.05Å; K91-E94 PolarHBondContact O-N 2.84Å; K91-I95 HydrophobicContact CD-CD1 4.24Å; K91-I95 HydrophobicContact CD-CG1 4.41Å; K91-I95 HydrophobicContact CG-CD1 3.98Å; K91-I95 VanDerWaalsContact O-CG1 3.31Å; K91-I95 WeakPolarHBondContact O-CG1 3.44Å; K91-I95 PolarHBondContact O-N 3.35Å; K91-I95 VanDerWaalsContact O-N 3.08Å |
| 92 | Y | 98.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 50 Ų | 50 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.1 | -48.2 | 170.5 | 157.1 | -110.1 | 0 | 0 | 0 | 111.4 | P56 L60 F88 L89 I95 R96 E101 V102 N105 | P56-Y92 HydrophobicContact CB-CD2 3.83Å; P56-Y92 HydrophobicContact CB-CE2 4.19Å; P56-Y92 VanDerWaalsContact O-CD2 3.31Å; P56-Y92 WeakPolarHBondContact O-CD2 3.34Å; L60-Y92 HydrophobicContact CB-CD1 4.47Å; L60-Y92 HydrophobicContact CB-CD2 3.84Å; L60-Y92 HydrophobicContact CB-CE2 4.05Å; L60-Y92 HydrophobicContact CB-CG 4.05Å; L60-Y92 HydrophobicContact CD1-CD1 4.22Å; L60-Y92 HydrophobicContact CD1-CE1 4.05Å; L60-Y92 HydrophobicContact CD2-CE2 4.21Å; F88-Y92 PolarHBondContact O-N 3.46Å; L89-Y92 VanDerWaalsContact O-CB 3.32Å; L89-Y92 WeakPolarHBondContact O-CB 3.38Å; L89-Y92 PolarHBondContact O-N 2.86Å; Y92-I95 PolarHBondContact O-N 3.43Å; Y92-R96 HydrophobicContact CD2-CB 4.26Å; Y92-R96 HydrophobicContact CE2-CB 4.03Å; Y92-R96 HydrophobicContact CE2-CG 4.13Å; Y92-R96 VanDerWaalsContact O-CB 3.23Å; Y92-R96 WeakPolarHBondContact O-CB 3.46Å; Y92-R96 PolarHBondContact O-N 3.19Å; Y92-E101 PolarHBondContact OH-OE1 3.36Å; Y92-V102 HydrophobicContact CE1-CB 4.23Å; Y92-V102 HydrophobicContact CE1-CG1 4.22Å; Y92-V102 HydrophobicContact CE1-CG2 3.77Å; Y92-V102 HydrophobicContact CE2-CG2 4.44Å; Y92-N105 HydrophobicContact CE1-CB 4.25Å; Y92-N105 PolarHBondContact OH-ND2 2.67Å |
| 93 | E | 97.4 | Very high | 96.5 | Very high | 62 Ų | 62 | 48.9 Ų | 48.9 | 29% | 0.29 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.2 | -45.5 | 175.7 | 169.9 | 168.1 | -150.1 | 0 | 0 | 111.9 | L89 A90 I95 G97 V102 | L89-E93 PolarHBondContact O-N 2.93Å; A90-E93 PolarHBondContact O-N 2.91Å; E93-I95 VanDerWaalsContact C-N 3.35Å; E93-I95 PolarHBondContact O-N 2.91Å; E93-G97 WeakPolarHBondContact O-CA 3.38Å; E93-G97 PolarHBondContact O-N 3.35Å; E93-V102 HydrophobicContact CB-CG1 3.62Å; E93-V102 HydrophobicContact CG-CG1 3.71Å |
| 94 | E | 97.5 | Very high | 96.6 | Very high | 134 Ų | 134 | 44.4 Ų | 44.4 | 63% | 0.626 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -57.7 | -44.8 | 177.7 | -170.5 | -162.5 | 138.6 | 0 | 0 | 112.2 | A90 K91 | A90-E94 PolarHBondContact O-N 3.46Å; K91-E94 HydrophobicContact CD-CB 4.42Å; K91-E94 WeakPolarHBondContact CD-OE2 3.27Å; K91-E94 IonicContact NZ-OE1 2.71Å; K91-E94 PolarHBondContact NZ-OE1 2.91Å; K91-E94 IonicContact NZ-OE2 2.84Å; K91-E94 PolarHBondContact NZ-OE2 3.05Å; K91-E94 PolarHBondContact O-N 2.84Å |
| 95 | I | 97.1 | Very high | 96.7 | Very high | 57 Ų | 57 | 41.5 Ų | 41.5 | 29% | 0.292 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -78.8 | -41 | -176.2 | -64 | 168.5 | 0 | 0 | 0 | 111.8 | S54 P56 Y59 K91 Y92 E93 G97 | S54-I95 WeakPolarHBondContact O-CG2 3.33Å; P56-I95 HydrophobicContact CB-CB 4.39Å; P56-I95 HydrophobicContact CB-CG2 4.02Å; P56-I95 HydrophobicContact CG-CG2 4.38Å; Y59-I95 HydrophobicContact CD2-CD1 3.64Å; Y59-I95 HydrophobicContact CE1-CD1 4.49Å; Y59-I95 HydrophobicContact CE2-CD1 3.28Å; Y59-I95 HydrophobicContact CG-CD1 4.38Å; K91-I95 HydrophobicContact CD-CD1 4.24Å; K91-I95 HydrophobicContact CD-CG1 4.41Å; K91-I95 HydrophobicContact CG-CD1 3.98Å; K91-I95 VanDerWaalsContact O-CG1 3.31Å; K91-I95 WeakPolarHBondContact O-CG1 3.44Å; K91-I95 PolarHBondContact O-N 3.35Å; K91-I95 VanDerWaalsContact O-N 3.08Å; Y92-I95 PolarHBondContact O-N 3.43Å; E93-I95 VanDerWaalsContact C-N 3.35Å; E93-I95 PolarHBondContact O-N 2.91Å; I95-G97 VanDerWaalsContact C-N 3.34Å |
| 96 | R | 95.2 | Very high | 96.8 | Very high | 91 Ų | 91 | 41.9 Ų | 41.9 | 34% | 0.343 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -74.8 | -27.5 | -178.1 | -171.3 | 63.4 | 172.6 | 107.8 | 6 | 111.9 | P56 Y92 E101 V102 D132 | P56-R96 HydrophobicContact CB-CB 3.95Å; Y92-R96 HydrophobicContact CD2-CB 4.26Å; Y92-R96 HydrophobicContact CE2-CB 4.03Å; Y92-R96 HydrophobicContact CE2-CG 4.13Å; Y92-R96 VanDerWaalsContact O-CB 3.23Å; Y92-R96 WeakPolarHBondContact O-CB 3.46Å; Y92-R96 PolarHBondContact O-N 3.19Å; R96-E101 IonicContact CZ-OE2 2.75Å; R96-E101 IonicContact NE-OE2 2.78Å; R96-E101 PolarHBondContact NE-OE2 2.84Å; R96-E101 IonicContact NH2-OE2 3.46Å; R96-E101 PolarHBondContact NH2-OE2 2.85Å; R96-V102 HydrophobicContact CB-CG2 3.75Å; R96-V102 HydrophobicContact CG-CG2 3.59Å; R96-D132 IonicContact CZ-OD2 3Å; R96-D132 IonicContact NH1-OD2 3.21Å; R96-D132 PolarHBondContact NH1-OD2 3.4Å; R96-D132 IonicContact NH2-OD2 2.89Å; R96-D132 PolarHBondContact NH2-OD2 3.38Å |
| 97 | G | 95.1 | Very high | 96.8 | Very high | 30 Ų | 30 | 40.1 Ų | 40.1 | 31% | 0.309 | 22% | 0.219 | S | C | . | . | trans | 80.6 | 166.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E93 I95 C99 V102 | E93-G97 WeakPolarHBondContact O-CA 3.38Å; E93-G97 PolarHBondContact O-N 3.35Å; I95-G97 VanDerWaalsContact C-N 3.34Å; G97-C99 PolarHBondContact O-N 3.23Å; G97-C99 VanDerWaalsContact O-N 3.11Å; G97-V102 WeakPolarHBondContact O-CG2 3.41Å | ||
| 98 | S | 91.5 | Very high | 96.8 | Very high | 93 Ų | 93 | 41.9 Ų | 41.9 | 65% | 0.65 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -70.3 | 108.4 | 178.5 | -172 | 0 | 0 | 0 | 0 | 110.2 | ||
| 99 | C | 94.3 | Very high | 96.7 | Very high | 12 Ų | 12 | 40.5 Ų | 40.5 | 8% | 0.081 | 21% | 0.211 | C | C | . | . | trans | -143.8 | 167.9 | 175 | 72.3 | 0 | 0 | 0 | 0 | 111 | G97 E101 V102 C103 | G97-C99 PolarHBondContact O-N 3.23Å; G97-C99 VanDerWaalsContact O-N 3.11Å; C99-E101 PolarHBondContact O-N 3.29Å; C99-V102 PolarHBondContact O-N 3.49Å; C99-V102 VanDerWaalsContact O-N 3.07Å; C99-C103 PolarHBondContact O-N 2.92Å; C99-C103 VanDerWaalsContact O-N 3.16Å | ||
| 100 | Q | 95.6 | Very high | 96.6 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 1% | 0.014 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -53.9 | -39 | -177.4 | -169.7 | -171.7 | 72.1 | 0 | 0 | 112.5 | Y104 T126 M129 F141 D142 L143 | Q100-Y104 WeakPolarHBondContact O-CB 3.42Å; Q100-Y104 PolarHBondContact O-N 3.48Å; Q100-T126 HydrophobicContact CG-CG2 3.65Å; Q100-M129 HydrophobicContact CB-CB 4.06Å; Q100-M129 HydrophobicContact CG-CB 4.3Å; Q100-M129 PolarHBondContact NE2-O 3.33Å; Q100-F141 PolarHBondContact OE1-O 3.07Å; Q100-D142 PolarHBondContact NE2-OD1 3.45Å; Q100-L143 HydrophobicContact CG-CB 4.24Å |
| 101 | E | 95.5 | Very high | 96.5 | Very high | 56 Ų | 56 | 41.1 Ų | 41.1 | 26% | 0.262 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -58.6 | -49.3 | 176.8 | -170.9 | -159.7 | 135.5 | 0 | 0 | 112.2 | Y92 R96 C99 Y104 N105 L143 | Y92-E101 PolarHBondContact OH-OE1 3.36Å; R96-E101 IonicContact CZ-OE2 2.75Å; R96-E101 IonicContact NE-OE2 2.78Å; R96-E101 PolarHBondContact NE-OE2 2.84Å; R96-E101 IonicContact NH2-OE2 3.46Å; R96-E101 PolarHBondContact NH2-OE2 2.85Å; C99-E101 PolarHBondContact O-N 3.29Å; E101-Y104 PolarHBondContact O-N 3.46Å; E101-N105 WeakPolarHBondContact O-CB 3.32Å; E101-N105 VanDerWaalsContact O-CG 3.28Å; E101-N105 PolarHBondContact O-N 3.36Å; E101-N105 PolarHBondContact O-ND2 2.69Å; E101-L143 HydrophobicContact CB-CD1 4.29Å |
| 102 | V | 97 | Very high | 96.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.9 | -49.1 | -177.9 | 173.9 | 0 | 0 | 0 | 0 | 110.7 | Y92 E93 R96 G97 C99 Y104 N105 M106 | Y92-V102 HydrophobicContact CE1-CB 4.23Å; Y92-V102 HydrophobicContact CE1-CG1 4.22Å; Y92-V102 HydrophobicContact CE1-CG2 3.77Å; Y92-V102 HydrophobicContact CE2-CG2 4.44Å; E93-V102 HydrophobicContact CB-CG1 3.62Å; E93-V102 HydrophobicContact CG-CG1 3.71Å; R96-V102 HydrophobicContact CB-CG2 3.75Å; R96-V102 HydrophobicContact CG-CG2 3.59Å; G97-V102 WeakPolarHBondContact O-CG2 3.41Å; C99-V102 PolarHBondContact O-N 3.49Å; C99-V102 VanDerWaalsContact O-N 3.07Å; V102-Y104 VanDerWaalsContact C-N 3.3Å; V102-Y104 PolarHBondContact O-N 3.15Å; V102-N105 PolarHBondContact O-N 3.32Å; V102-M106 HydrophobicContact CG1-CG 4.27Å; V102-M106 WeakPolarHBondContact O-CB 3.43Å; V102-M106 WeakPolarHBondContact O-CG 3.38Å; V102-M106 PolarHBondContact O-N 2.96Å |
| 103 | C | 97.1 | Very high | 96.1 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.014 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.8 | -43.8 | 177.9 | -69.5 | 0 | 0 | 0 | 0 | 111.5 | C99 G107 Q125 M129 | C99-C103 PolarHBondContact O-N 2.92Å; C99-C103 VanDerWaalsContact O-N 3.16Å; C103-G107 PolarHBondContact O-N 2.85Å; C103-Q125 HydrophobicContact CB-CB 4.38Å; C103-M129 HydrophobicContact CB-SD 4.25Å |
| 104 | Y | 97.6 | Very high | 95.8 | Very high | 27 Ų | 27 | 43.2 Ų | 43.2 | 11% | 0.106 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.6 | -48.2 | 177.8 | 177.4 | -99.9 | 0 | 0 | 0 | 111.7 | Q100 E101 V102 M106 G107 R108 Y123 T126 L143 L146 A147 N150 | Q100-Y104 WeakPolarHBondContact O-CB 3.42Å; Q100-Y104 PolarHBondContact O-N 3.48Å; E101-Y104 PolarHBondContact O-N 3.46Å; V102-Y104 VanDerWaalsContact C-N 3.3Å; V102-Y104 PolarHBondContact O-N 3.15Å; Y104-M106 PolarHBondContact O-N 2.96Å; Y104-G107 PolarHBondContact O-N 2.92Å; Y104-R108 HydrophobicContact CD1-CG 4.01Å; Y104-R108 HydrophobicContact CE1-CG 3.58Å; Y104-R108 HydrophobicContact CE2-CG 4.2Å; Y104-R108 HydrophobicContact CG-CG 4.49Å; Y104-R108 WeakPolarHBondContact O-CG 3.4Å; Y104-R108 PolarHBondContact O-N 2.87Å; Y104-R108 WeakPolarHBondContact OH-CD 3.24Å; Y104-Y123 HydrophobicContact CD2-CD1 4.25Å; Y104-Y123 HydrophobicContact CD2-CE1 4.11Å; Y104-Y123 HydrophobicContact CE2-CE1 4.18Å; Y104-T126 WeakPolarHBondContact CA-OG1 3.25Å; Y104-T126 HydrophobicContact CD2-CG2 4.38Å; Y104-T126 PolarHBondContact N-OG1 3.5Å; Y104-T126 VanDerWaalsContact N-OG1 3.16Å; Y104-L143 HydrophobicContact CD1-CD1 4.08Å; Y104-L143 HydrophobicContact CD1-CD2 4.49Å; Y104-L143 HydrophobicContact CD2-CB 4.33Å; Y104-L143 HydrophobicContact CG-CB 4.22Å; Y104-L143 HydrophobicContact CG-CD1 4Å; Y104-L146 HydrophobicContact CE2-CB 3.62Å; Y104-A147 HydrophobicContact CD2-CB 4.27Å; Y104-N150 PolarHBondContact OH-ND2 3.5Å |
| 105 | N | 97.7 | Very high | 95.6 | Very high | 37 Ų | 37 | 40.9 Ų | 40.9 | 20% | 0.198 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.4 | -39.8 | -178.6 | -74.4 | -23.4 | 0 | 0 | 0 | 112.4 | L60 Y92 E101 V102 R108 A109 | L60-N105 HydrophobicContact CD1-CB 4.24Å; Y92-N105 HydrophobicContact CE1-CB 4.25Å; Y92-N105 PolarHBondContact OH-ND2 2.67Å; E101-N105 WeakPolarHBondContact O-CB 3.32Å; E101-N105 VanDerWaalsContact O-CG 3.28Å; E101-N105 PolarHBondContact O-N 3.36Å; E101-N105 PolarHBondContact O-ND2 2.69Å; V102-N105 PolarHBondContact O-N 3.32Å; N105-R108 WeakPolarHBondContact O-CB 3.5Å; N105-R108 PolarHBondContact O-N 3.38Å; N105-A109 PolarHBondContact O-N 3.29Å |
| 106 | M | 97.9 | Very high | 95.5 | Very high | 8 Ų | 8 | 40.8 Ų | 40.8 | 4% | 0.039 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.2 | -45.7 | 172.6 | -71 | -62.6 | -81.6 | 0 | 0 | 111.2 | L89 V102 Y104 R108 A109 M110 Y122 | L89-M106 HydrophobicContact CB-SD 3.78Å; L89-M106 HydrophobicContact CD1-SD 4.48Å; V102-M106 HydrophobicContact CG1-CG 4.27Å; V102-M106 WeakPolarHBondContact O-CB 3.43Å; V102-M106 WeakPolarHBondContact O-CG 3.38Å; V102-M106 PolarHBondContact O-N 2.96Å; Y104-M106 PolarHBondContact O-N 2.96Å; M106-R108 VanDerWaalsContact C-N 3.34Å; M106-R108 PolarHBondContact O-N 2.95Å; M106-A109 PolarHBondContact O-N 3.02Å; M106-M110 VanDerWaalsContact O-CG 3.3Å; M106-M110 WeakPolarHBondContact O-CG 3.45Å; M106-M110 PolarHBondContact O-N 2.98Å; M106-Y122 HydrophobicContact CB-CD1 3.72Å; M106-Y122 HydrophobicContact CB-CD2 4.22Å; M106-Y122 HydrophobicContact CB-CE1 3.61Å; M106-Y122 HydrophobicContact CB-CE2 4.12Å; M106-Y122 HydrophobicContact CB-CG 4.02Å; M106-Y122 HydrophobicContact CG-CE1 4.21Å |
| 107 | G | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.6 | -42.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | C103 Y104 M110 H111 A119 Y122 Y123 | C103-G107 PolarHBondContact O-N 2.85Å; Y104-G107 PolarHBondContact O-N 2.92Å; G107-M110 PolarHBondContact O-N 2.96Å; G107-H111 VanDerWaalsContact O-CB 3.25Å; G107-H111 WeakPolarHBondContact O-CB 3.34Å; G107-H111 PolarHBondContact O-N 3.21Å; G107-A119 WeakPolarHBondContact O-CB 3.47Å; G107-Y122 VanDerWaalsContact CA-CB 3.45Å; G107-Y123 PolarHBondContact O-OH 3.21Å |
| 108 | R | 97.3 | Very high | 95.5 | Very high | 104 Ų | 104 | 44.9 Ų | 44.9 | 39% | 0.392 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.6 | -44.2 | 174.2 | -70.6 | -63.4 | -57.3 | -163.7 | -0.1 | 112.6 | Y104 N105 M106 H111 Q112 Y123 N150 | Y104-R108 HydrophobicContact CD1-CG 4.01Å; Y104-R108 HydrophobicContact CE1-CG 3.58Å; Y104-R108 HydrophobicContact CE2-CG 4.2Å; Y104-R108 HydrophobicContact CG-CG 4.49Å; Y104-R108 WeakPolarHBondContact O-CG 3.4Å; Y104-R108 PolarHBondContact O-N 2.87Å; Y104-R108 WeakPolarHBondContact OH-CD 3.24Å; N105-R108 WeakPolarHBondContact O-CB 3.5Å; N105-R108 PolarHBondContact O-N 3.38Å; M106-R108 VanDerWaalsContact C-N 3.34Å; M106-R108 PolarHBondContact O-N 2.95Å; R108-H111 PolarHBondContact O-N 2.95Å; R108-Q112 WeakPolarHBondContact O-CB 3.31Å; R108-Q112 PolarHBondContact O-N 3.34Å; R108-Y123 WeakPolarHBondContact CA-OH 3.32Å; R108-Y123 WeakPolarHBondContact CD-OH 3.3Å; R108-Y123 HydrophobicContact CG-CE1 4.37Å; R108-Y123 PolarHBondContact N-OH 3.17Å; R108-N150 WeakPolarHBondContact CD-ND2 3.46Å; R108-N150 VanDerWaalsContact NH1-CG 3.29Å; R108-N150 PolarHBondContact NH1-ND2 2.88Å; R108-N150 VanDerWaalsContact NH1-ND2 3.1Å; R108-N150 PolarHBondContact NH1-OD1 3.27Å |
| 109 | A | 97.1 | Very high | 95.8 | Very high | 11 Ų | 11 | 40.4 Ų | 40.4 | 9% | 0.091 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.4 | -45.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | F86 L89 N105 M106 H111 Q112 M113 | F86-A109 HydrophobicContact CE1-CB 3.91Å; F86-A109 HydrophobicContact CZ-CB 4.33Å; L89-A109 HydrophobicContact CD1-CB 3.5Å; L89-A109 VanDerWaalsContact CD1-CB 3.5Å; N105-A109 PolarHBondContact O-N 3.29Å; M106-A109 PolarHBondContact O-N 3.02Å; A109-H111 PolarHBondContact O-N 3.32Å; A109-Q112 PolarHBondContact O-N 3.1Å; A109-M113 WeakPolarHBondContact O-CG 3.48Å; A109-M113 PolarHBondContact O-N 2.65Å; A109-M113 VanDerWaalsContact O-N 3.12Å |
| 110 | M | 96.3 | Very high | 95.9 | Very high | 25 Ų | 25 | 40.8 Ų | 40.8 | 12% | 0.123 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.9 | -42.7 | 176.2 | -66.3 | -63.5 | 178.1 | 0 | 0 | 111.8 | F86 M106 G107 M113 G114 L115 V118 A119 Y122 | F86-M110 HydrophobicContact CD1-CE 3.83Å; F86-M110 HydrophobicContact CD1-SD 4.49Å; F86-M110 HydrophobicContact CE1-CE 3.4Å; F86-M110 VanDerWaalsContact CE1-CE 3.4Å; F86-M110 HydrophobicContact CE1-CG 4.26Å; F86-M110 HydrophobicContact CE1-SD 3.55Å; F86-M110 VanDerWaalsContact CE1-SD 3.55Å; F86-M110 HydrophobicContact CE2-SD 4.49Å; F86-M110 HydrophobicContact CZ-CE 3.98Å; F86-M110 HydrophobicContact CZ-CG 4.48Å; F86-M110 HydrophobicContact CZ-SD 3.55Å; F86-M110 VanDerWaalsContact CZ-SD 3.55Å; M106-M110 VanDerWaalsContact O-CG 3.3Å; M106-M110 WeakPolarHBondContact O-CG 3.45Å; M106-M110 PolarHBondContact O-N 2.98Å; G107-M110 PolarHBondContact O-N 2.96Å; M110-M113 PolarHBondContact O-N 3.39Å; M110-G114 PolarHBondContact O-N 3.16Å; M110-L115 HydrophobicContact CB-CB 4.28Å; M110-L115 PolarHBondContact O-N 2.88Å; M110-L115 HydrophobicContact SD-CB 4.3Å; M110-L115 HydrophobicContact SD-CD1 3.61Å; M110-V118 HydrophobicContact CB-CB 4.49Å; M110-V118 HydrophobicContact CB-CG1 4.49Å; M110-V118 HydrophobicContact CE-CG1 4.27Å; M110-V118 HydrophobicContact CG-CB 4.37Å; M110-V118 HydrophobicContact CG-CG1 3.88Å; M110-V118 HydrophobicContact SD-CB 4.5Å; M110-V118 HydrophobicContact SD-CG1 4.03Å; M110-A119 HydrophobicContact CB-CB 3.93Å; M110-Y122 HydrophobicContact CE-CE2 4.29Å; M110-Y122 HydrophobicContact CG-CD2 4.15Å; M110-Y122 HydrophobicContact CG-CE2 4.15Å |
| 111 | H | 95.8 | Very high | 96 | Very high | 40 Ų | 40 | 45 Ų | 45 | 19% | 0.185 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.9 | -46.3 | 177 | -171.3 | 176.1 | 0 | 0 | 0 | 111 | G107 R108 A109 M113 G114 A119 Y123 | G107-H111 VanDerWaalsContact O-CB 3.25Å; G107-H111 WeakPolarHBondContact O-CB 3.34Å; G107-H111 PolarHBondContact O-N 3.21Å; R108-H111 PolarHBondContact O-N 2.95Å; A109-H111 PolarHBondContact O-N 3.32Å; H111-M113 PolarHBondContact O-N 3.05Å; H111-G114 PolarHBondContact O-N 3.07Å; H111-A119 HydrophobicContact CB-CB 3.81Å; H111-Y123 HydrophobicContact CB-CE2 4.45Å; H111-Y123 WeakPolarHBondContact CB-OH 3.31Å; H111-Y123 AromaticContact ND1-CE2 3.89Å; H111-Y123 PolarHBondContact ND1-OH 3.47Å |
| 112 | Q | 94.2 | Very high | 96.1 | Very high | 88 Ų | 88 | 44.4 Ų | 44.4 | 41% | 0.411 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60 | -34.2 | 177.8 | 177.6 | 166.6 | -18.6 | 0 | 0 | 112.7 | I67 N68 S71 R108 A109 G114 | I67-Q112 HydrophobicContact CG2-CB 4.43Å; I67-Q112 HydrophobicContact CG2-CG 4.03Å; N68-Q112 PolarHBondContact OD1-NE2 2.95Å; S71-Q112 WeakPolarHBondContact OG-CG 3.42Å; S71-Q112 PolarHBondContact OG-NE2 3.49Å; R108-Q112 WeakPolarHBondContact O-CB 3.31Å; R108-Q112 PolarHBondContact O-N 3.34Å; A109-Q112 PolarHBondContact O-N 3.1Å; Q112-G114 VanDerWaalsContact C-N 3.3Å; Q112-G114 PolarHBondContact O-N 3.17Å |
| 113 | M | 92.6 | Very high | 96.1 | Very high | 40 Ų | 40 | 44.4 Ų | 44.4 | 20% | 0.197 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -1 | 177.4 | -65.4 | -54 | -56.5 | 0 | 0 | 114.2 | I67 A70 C82 F86 A109 M110 H111 | I67-M113 HydrophobicContact CD1-CG 4.06Å; I67-M113 HydrophobicContact CD1-SD 4.23Å; I67-M113 HydrophobicContact CG2-CG 4.13Å; I67-M113 HydrophobicContact CG2-SD 3.9Å; A70-M113 HydrophobicContact CB-CE 4.22Å; A70-M113 HydrophobicContact CB-SD 4.37Å; C82-M113 HydrophobicContact CB-CE 4.18Å; F86-M113 HydrophobicContact CE2-CG 3.96Å; F86-M113 HydrophobicContact CZ-CG 4.06Å; A109-M113 WeakPolarHBondContact O-CG 3.48Å; A109-M113 PolarHBondContact O-N 2.65Å; A109-M113 VanDerWaalsContact O-N 3.12Å; M110-M113 PolarHBondContact O-N 3.39Å; H111-M113 PolarHBondContact O-N 3.05Å |
| 114 | G | 92.1 | Very high | 96.1 | Very high | 50 Ų | 50 | 50.6 Ų | 50.6 | 52% | 0.515 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | 10.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | M110 H111 Q112 V116 | M110-G114 PolarHBondContact O-N 3.16Å; H111-G114 PolarHBondContact O-N 3.07Å; Q112-G114 VanDerWaalsContact C-N 3.3Å; Q112-G114 PolarHBondContact O-N 3.17Å; G114-V116 PolarHBondContact O-N 2.85Å |
| 115 | L | 93.6 | Very high | 96 | Very high | 85 Ų | 85 | 52.8 Ų | 52.8 | 45% | 0.445 | 27% | 0.268 | S | S | . | . | trans | -82.6 | 62.6 | 175.9 | -62.4 | 174 | 0 | 0 | 0 | 110.2 | M110 N117 V118 A119 | M110-L115 HydrophobicContact CB-CB 4.28Å; M110-L115 PolarHBondContact O-N 2.88Å; M110-L115 HydrophobicContact SD-CB 4.3Å; M110-L115 HydrophobicContact SD-CD1 3.61Å; L115-N117 PolarHBondContact O-N 3.19Å; L115-V118 HydrophobicContact CB-CB 4.4Å; L115-V118 HydrophobicContact CB-CG2 4.48Å; L115-V118 PolarHBondContact O-N 3.48Å; L115-A119 PolarHBondContact O-N 3.49Å | ||
| 116 | V | 93.9 | Very high | 96 | Very high | 55 Ų | 55 | 51 Ų | 51 | 33% | 0.333 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -55.2 | -47.5 | -168.9 | 177.7 | 0 | 0 | 0 | 0 | 112.2 | G114 V118 A119 V120 M154 | G114-V116 PolarHBondContact O-N 2.85Å; V116-V118 VanDerWaalsContact C-N 3.31Å; V116-V118 PolarHBondContact O-N 3.21Å; V116-A119 WeakPolarHBondContact O-CB 3.43Å; V116-A119 PolarHBondContact O-N 3.28Å; V116-V120 WeakPolarHBondContact O-CG2 3.46Å; V116-V120 PolarHBondContact O-N 3.28Å; V116-M154 HydrophobicContact CB-CE 4.11Å; V116-M154 HydrophobicContact CG1-CE 3.39Å; V116-M154 WeakPolarHBondContact O-CE 3.33Å |
| 117 | N | 94.4 | Very high | 95.8 | Very high | 143 Ų | 143 | 51.7 Ų | 51.7 | 77% | 0.765 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -62 | -39.8 | -177.7 | -65.7 | -18.6 | 0 | 0 | 0 | 112.4 | L115 V120 E121 | L115-N117 PolarHBondContact O-N 3.19Å; N117-V120 PolarHBondContact O-N 2.85Å; N117-E121 PolarHBondContact O-N 3.34Å |
| 118 | V | 96.5 | Very high | 95.7 | Very high | 63 Ų | 63 | 55.8 Ų | 55.8 | 38% | 0.382 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -70.7 | -39.9 | 177.8 | -174.3 | 0 | 0 | 0 | 0 | 110.3 | M110 L115 V116 V120 E121 Y122 | M110-V118 HydrophobicContact CB-CB 4.49Å; M110-V118 HydrophobicContact CB-CG1 4.49Å; M110-V118 HydrophobicContact CE-CG1 4.27Å; M110-V118 HydrophobicContact CG-CB 4.37Å; M110-V118 HydrophobicContact CG-CG1 3.88Å; M110-V118 HydrophobicContact SD-CB 4.5Å; M110-V118 HydrophobicContact SD-CG1 4.03Å; L115-V118 HydrophobicContact CB-CB 4.4Å; L115-V118 HydrophobicContact CB-CG2 4.48Å; L115-V118 PolarHBondContact O-N 3.48Å; V116-V118 VanDerWaalsContact C-N 3.31Å; V116-V118 PolarHBondContact O-N 3.21Å; V118-V120 VanDerWaalsContact C-N 3.33Å; V118-V120 PolarHBondContact O-N 2.91Å; V118-E121 PolarHBondContact O-N 2.89Å; V118-Y122 HydrophobicContact CG1-CD2 3.96Å; V118-Y122 HydrophobicContact CG1-CE2 3.78Å; V118-Y122 WeakPolarHBondContact O-CD2 3.3Å; V118-Y122 PolarHBondContact O-N 3.16Å; V118-Y122 VanDerWaalsContact O-N 3.17Å |
| 119 | A | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.1 | -39.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G107 M110 H111 L115 V116 E121 Y122 Y123 M154 | G107-A119 WeakPolarHBondContact O-CB 3.47Å; M110-A119 HydrophobicContact CB-CB 3.93Å; H111-A119 HydrophobicContact CB-CB 3.81Å; L115-A119 PolarHBondContact O-N 3.49Å; V116-A119 WeakPolarHBondContact O-CB 3.43Å; V116-A119 PolarHBondContact O-N 3.28Å; A119-E121 VanDerWaalsContact C-N 3.3Å; A119-E121 PolarHBondContact O-N 3.25Å; A119-Y122 PolarHBondContact O-N 3.39Å; A119-Y123 HydrophobicContact CB-CE2 4.19Å; A119-Y123 WeakPolarHBondContact O-CD2 3.12Å; A119-Y123 PolarHBondContact O-N 3.03Å; A119-M154 HydrophobicContact CB-CE 3.76Å |
| 120 | V | 96.4 | Very high | 95.2 | Very high | 19 Ų | 19 | 58 Ų | 58 | 12% | 0.115 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.1 | -44.2 | 175.1 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | V116 N117 V118 Y123 R124 L151 M154 | V116-V120 WeakPolarHBondContact O-CG2 3.46Å; V116-V120 PolarHBondContact O-N 3.28Å; N117-V120 PolarHBondContact O-N 2.85Å; V118-V120 VanDerWaalsContact C-N 3.33Å; V118-V120 PolarHBondContact O-N 2.91Å; V120-Y123 PolarHBondContact O-N 3.33Å; V120-R124 HydrophobicContact CG1-CG 4.41Å; V120-R124 WeakPolarHBondContact O-CG 3.49Å; V120-R124 PolarHBondContact O-N 3.16Å; V120-L151 HydrophobicContact CB-CD2 4.19Å; V120-L151 HydrophobicContact CG1-CD2 3.91Å; V120-L151 HydrophobicContact CG2-CD2 4.09Å; V120-M154 HydrophobicContact CG2-CE 3.46Å; V120-M154 VanDerWaalsContact CG2-CE 3.46Å; V120-M154 HydrophobicContact CG2-SD 4.44Å |
| 121 | E | 97 | Very high | 94.8 | Very high | 92 Ų | 92 | 57.6 Ų | 57.6 | 43% | 0.43 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.7 | -47.7 | -179.5 | -177.3 | 51.2 | -144.4 | 0 | 0 | 111.6 | N117 V118 A119 Y123 R124 Q125 | N117-E121 PolarHBondContact O-N 3.34Å; V118-E121 PolarHBondContact O-N 2.89Å; A119-E121 VanDerWaalsContact C-N 3.3Å; A119-E121 PolarHBondContact O-N 3.25Å; E121-Y123 PolarHBondContact O-N 2.92Å; E121-R124 WeakPolarHBondContact O-CB 3.32Å; E121-R124 PolarHBondContact O-N 3.36Å; E121-Q125 WeakPolarHBondContact O-CG 3.36Å; E121-Q125 PolarHBondContact O-N 3.48Å; E121-Q125 PolarHBondContact OE1-NE2 3.23Å; E121-Q125 VanDerWaalsContact OE1-NE2 3.1Å |
| 122 | Y | 97.8 | Very high | 94.2 | Very high | 44 Ų | 44 | 59.4 Ų | 59.4 | 17% | 0.173 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.6 | -41.9 | 175.5 | -83.6 | -66.4 | 0 | 0 | 0 | 113.2 | M106 G107 M110 V118 A119 R124 Q125 T126 | M106-Y122 HydrophobicContact CB-CD1 3.72Å; M106-Y122 HydrophobicContact CB-CD2 4.22Å; M106-Y122 HydrophobicContact CB-CE1 3.61Å; M106-Y122 HydrophobicContact CB-CE2 4.12Å; M106-Y122 HydrophobicContact CB-CG 4.02Å; M106-Y122 HydrophobicContact CG-CE1 4.21Å; G107-Y122 VanDerWaalsContact CA-CB 3.45Å; M110-Y122 HydrophobicContact CE-CE2 4.29Å; M110-Y122 HydrophobicContact CG-CD2 4.15Å; M110-Y122 HydrophobicContact CG-CE2 4.15Å; V118-Y122 HydrophobicContact CG1-CD2 3.96Å; V118-Y122 HydrophobicContact CG1-CE2 3.78Å; V118-Y122 WeakPolarHBondContact O-CD2 3.3Å; V118-Y122 PolarHBondContact O-N 3.16Å; V118-Y122 VanDerWaalsContact O-N 3.17Å; A119-Y122 PolarHBondContact O-N 3.39Å; Y122-R124 VanDerWaalsContact C-N 3.34Å; Y122-R124 PolarHBondContact O-N 3.3Å; Y122-Q125 WeakPolarHBondContact O-CB 3.4Å; Y122-Q125 PolarHBondContact O-N 3.36Å; Y122-T126 PolarHBondContact O-N 3.27Å; Y122-T126 PolarHBondContact O-OG1 3.09Å; Y122-T126 VanDerWaalsContact O-OG1 3.07Å |
| 123 | Y | 97.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.8 | -37.4 | 176 | -66.6 | -41.4 | 0 | 0 | 0 | 112.3 | Y104 G107 R108 H111 A119 V120 E121 Q125 T126 L127 A147 N150 L151 M154 | Y104-Y123 HydrophobicContact CD2-CD1 4.25Å; Y104-Y123 HydrophobicContact CD2-CE1 4.11Å; Y104-Y123 HydrophobicContact CE2-CE1 4.18Å; G107-Y123 PolarHBondContact O-OH 3.21Å; R108-Y123 WeakPolarHBondContact CA-OH 3.32Å; R108-Y123 WeakPolarHBondContact CD-OH 3.3Å; R108-Y123 HydrophobicContact CG-CE1 4.37Å; R108-Y123 PolarHBondContact N-OH 3.17Å; H111-Y123 HydrophobicContact CB-CE2 4.45Å; H111-Y123 WeakPolarHBondContact CB-OH 3.31Å; H111-Y123 AromaticContact ND1-CE2 3.89Å; H111-Y123 PolarHBondContact ND1-OH 3.47Å; A119-Y123 HydrophobicContact CB-CE2 4.19Å; A119-Y123 WeakPolarHBondContact O-CD2 3.12Å; A119-Y123 PolarHBondContact O-N 3.03Å; V120-Y123 PolarHBondContact O-N 3.33Å; E121-Y123 PolarHBondContact O-N 2.92Å; Y123-Q125 VanDerWaalsContact C-N 3.31Å; Y123-Q125 PolarHBondContact O-N 2.96Å; Y123-T126 WeakPolarHBondContact O-CB 3.32Å; Y123-T126 PolarHBondContact O-N 3.11Å; Y123-L127 WeakPolarHBondContact O-CG 3.39Å; Y123-L127 PolarHBondContact O-N 2.83Å; Y123-A147 HydrophobicContact CD1-CB 4.14Å; Y123-A147 HydrophobicContact CG-CB 4.49Å; Y123-N150 HydrophobicContact CD2-CB 4.25Å; Y123-N150 HydrophobicContact CE1-CB 4.3Å; Y123-N150 HydrophobicContact CE2-CB 3.72Å; Y123-L151 HydrophobicContact CD2-CD2 4.05Å; Y123-L151 HydrophobicContact CD2-CG 4.06Å; Y123-L151 HydrophobicContact CG-CD2 4.47Å; Y123-L151 HydrophobicContact CG-CG 4.23Å; Y123-M154 HydrophobicContact CD2-SD 3.89Å; Y123-M154 HydrophobicContact CE2-SD 3.56Å; Y123-M154 VanDerWaalsContact CE2-SD 3.56Å |
| 124 | R | 96.1 | Very high | 92.6 | Very high | 131 Ų | 131 | 66 Ų | 66 | 49% | 0.494 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62 | -40.1 | 173.3 | -75.3 | 176.5 | 177.4 | 179.4 | -0.6 | 111.6 | V120 E121 Y122 L127 A128 Y155 | V120-R124 HydrophobicContact CG1-CG 4.41Å; V120-R124 WeakPolarHBondContact O-CG 3.49Å; V120-R124 PolarHBondContact O-N 3.16Å; E121-R124 WeakPolarHBondContact O-CB 3.32Å; E121-R124 PolarHBondContact O-N 3.36Å; Y122-R124 VanDerWaalsContact C-N 3.34Å; Y122-R124 PolarHBondContact O-N 3.3Å; R124-L127 WeakPolarHBondContact O-CB 3.23Å; R124-L127 PolarHBondContact O-N 2.9Å; R124-A128 PolarHBondContact O-N 2.97Å; R124-A128 VanDerWaalsContact O-N 3.11Å; R124-Y155 PolarHBondContact NH2-OH 3.49Å; R124-Y155 VanDerWaalsContact NH2-OH 3.16Å |
| 125 | Q | 96.9 | Very high | 91.5 | Very high | 74 Ų | 74 | 66.3 Ų | 66.3 | 35% | 0.346 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 172.4 | -67.5 | 173.3 | 22.5 | 0 | 0 | 111.4 | C103 E121 Y122 Y123 L127 A128 M129 | C103-Q125 HydrophobicContact CB-CB 4.38Å; E121-Q125 WeakPolarHBondContact O-CG 3.36Å; E121-Q125 PolarHBondContact O-N 3.48Å; E121-Q125 PolarHBondContact OE1-NE2 3.23Å; E121-Q125 VanDerWaalsContact OE1-NE2 3.1Å; Y122-Q125 WeakPolarHBondContact O-CB 3.4Å; Y122-Q125 PolarHBondContact O-N 3.36Å; Y123-Q125 VanDerWaalsContact C-N 3.31Å; Y123-Q125 PolarHBondContact O-N 2.96Å; Q125-L127 PolarHBondContact O-N 3.31Å; Q125-A128 PolarHBondContact O-N 3.44Å; Q125-M129 WeakPolarHBondContact O-CG 3.31Å; Q125-M129 PolarHBondContact O-N 3.42Å; Q125-M129 VanDerWaalsContact O-N 3.14Å |
| 126 | T | 96.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -54.6 | -40.5 | 172.7 | -53 | 0 | 0 | 0 | 0 | 112.1 | Q100 Y104 Y122 Y123 A128 M129 L143 A147 | Q100-T126 HydrophobicContact CG-CG2 3.65Å; Y104-T126 WeakPolarHBondContact CA-OG1 3.25Å; Y104-T126 HydrophobicContact CD2-CG2 4.38Å; Y104-T126 PolarHBondContact N-OG1 3.5Å; Y104-T126 VanDerWaalsContact N-OG1 3.16Å; Y122-T126 PolarHBondContact O-N 3.27Å; Y122-T126 PolarHBondContact O-OG1 3.09Å; Y122-T126 VanDerWaalsContact O-OG1 3.07Å; Y123-T126 WeakPolarHBondContact O-CB 3.32Å; Y123-T126 PolarHBondContact O-N 3.11Å; T126-A128 VanDerWaalsContact C-N 3.31Å; T126-A128 PolarHBondContact O-N 3.27Å; T126-M129 PolarHBondContact O-N 3.44Å; T126-L143 HydrophobicContact CG2-CB 4.03Å; T126-A147 HydrophobicContact CG2-CB 3.92Å |
| 127 | L | 94.9 | Very high | 88.6 | Confident | 22 Ų | 22 | 72.8 Ų | 72.8 | 12% | 0.115 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -68.8 | -26 | 177.4 | -63.2 | -177.9 | 0 | 0 | 0 | 114.1 | Y123 R124 Q125 R144 A147 V148 L151 Y171 | Y123-L127 WeakPolarHBondContact O-CG 3.39Å; Y123-L127 PolarHBondContact O-N 2.83Å; R124-L127 WeakPolarHBondContact O-CB 3.23Å; R124-L127 PolarHBondContact O-N 2.9Å; Q125-L127 PolarHBondContact O-N 3.31Å; L127-R144 HydrophobicContact CD2-CB 3.93Å; L127-R144 HydrophobicContact CD2-CG 4.22Å; L127-A147 HydrophobicContact CD2-CB 3.94Å; L127-A147 HydrophobicContact CG-CB 4.4Å; L127-V148 HydrophobicContact CD1-CG2 4.26Å; L127-V148 HydrophobicContact CD2-CG2 3.52Å; L127-L151 HydrophobicContact CD1-CD1 3.66Å; L127-L151 HydrophobicContact CG-CD1 4.47Å; L127-Y171 HydrophobicContact CD1-CE2 4.09Å |
| 128 | A | 95.1 | Very high | 87.2 | Confident | 86 Ų | 86 | 66.5 Ų | 66.5 | 71% | 0.711 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -87.6 | -11.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | R124 Q125 T126 | R124-A128 PolarHBondContact O-N 2.97Å; R124-A128 VanDerWaalsContact O-N 3.11Å; Q125-A128 PolarHBondContact O-N 3.44Å; T126-A128 VanDerWaalsContact C-N 3.31Å; T126-A128 PolarHBondContact O-N 3.27Å |
| 129 | M | 93.8 | Very high | 85.8 | Confident | 48 Ų | 48 | 72.4 Ų | 72.4 | 24% | 0.236 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -96.4 | 144.4 | -179.2 | -68.4 | -178.9 | 108.4 | 0 | 0 | 112.4 | Q100 C103 Q125 T126 | Q100-M129 HydrophobicContact CB-CB 4.06Å; Q100-M129 HydrophobicContact CG-CB 4.3Å; Q100-M129 PolarHBondContact NE2-O 3.33Å; C103-M129 HydrophobicContact CB-SD 4.25Å; Q125-M129 WeakPolarHBondContact O-CG 3.31Å; Q125-M129 PolarHBondContact O-N 3.42Å; Q125-M129 VanDerWaalsContact O-N 3.14Å; T126-M129 PolarHBondContact O-N 3.44Å |
| 130 | E | 90.7 | Very high | 84.7 | Confident | 112 Ų | 112 | 75.8 Ų | 75.8 | 52% | 0.523 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -73 | 149 | 168.8 | -70.4 | -57.6 | 135.3 | 0 | 0 | 111.3 | D132 R144 | E130-D132 PolarHBondContact O-N 2.9Å; E130-R144 IonicContact OE1-NH1 3.94Å |
| 131 | P | 88.4 | Confident | 84.2 | Confident | 17 Ų | 17 | 80.6 Ų | 80.6 | 11% | 0.11 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 136.9 | 173.2 | -23.5 | 34.3 | 0 | 0 | 0 | 111.8 | D142 | P131-D142 HydrophobicContact CB-CB 4.33Å; P131-D142 HydrophobicContact CG-CB 3.77Å |
| 132 | D | 83.3 | Confident | 83.9 | Confident | 78 Ų | 78 | 77.7 Ų | 77.7 | 42% | 0.417 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -66.5 | -42 | -175.8 | -169 | 31.1 | 0 | 0 | 0 | 111.5 | R96 E130 R134 | R96-D132 IonicContact CZ-OD2 3Å; R96-D132 IonicContact NH1-OD2 3.21Å; R96-D132 PolarHBondContact NH1-OD2 3.4Å; R96-D132 IonicContact NH2-OD2 2.89Å; R96-D132 PolarHBondContact NH2-OD2 3.38Å; E130-D132 PolarHBondContact O-N 2.9Å; D132-R134 PolarHBondContact O-N 3.02Å |
| 133 | V | 81.9 | Confident | 83.7 | Confident | 56 Ų | 56 | 77 Ų | 77 | 34% | 0.339 | 40% | 0.403 | S | S | . | . | trans | -87.8 | 114.2 | 177.3 | -170.3 | 0 | 0 | 0 | 0 | 108.6 | S138 F141 | V133-S138 WeakPolarHBondContact CG1-OG 3.4Å; V133-S138 WeakPolarHBondContact O-CB 3.46Å; V133-S138 PolarHBondContact O-OG 3.48Å; V133-F141 HydrophobicContact CB-CB 3.99Å; V133-F141 HydrophobicContact CB-CD2 3.75Å; V133-F141 HydrophobicContact CB-CE2 4.45Å; V133-F141 HydrophobicContact CB-CG 3.93Å; V133-F141 HydrophobicContact CG1-CD2 3.84Å; V133-F141 HydrophobicContact CG1-CE2 4.15Å; V133-F141 HydrophobicContact CG1-CG 4.49Å; V133-F141 HydrophobicContact CG2-CB 4.09Å; V133-F141 HydrophobicContact CG2-CD1 4.17Å; V133-F141 HydrophobicContact CG2-CD2 3.98Å; V133-F141 HydrophobicContact CG2-CE2 4.48Å; V133-F141 HydrophobicContact CG2-CG 3.82Å | ||
| 134 | R | 70.9 | Confident | 83.5 | Confident | 211 Ų | 211 | 80.3 Ų | 80.3 | 80% | 0.796 | 42% | 0.415 | S | S | * | . | trans | -105.3 | 88.8 | 173.7 | -62.6 | -178.8 | -176.1 | -179.8 | -0.3 | 110.8 | D132 | D132-R134 PolarHBondContact O-N 3.02Š| ||
| 135 | S | 68.2 | Low | 83.3 | Confident | 57 Ų | 57 | 77.5 Ų | 77.5 | 40% | 0.399 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -136 | 152.4 | 178.6 | 168.7 | 0 | 0 | 0 | 0 | 107.9 | H137 S138 | S135-H137 PolarHBondContact O-N 3.07Å; S135-H137 PolarHBondContact OG-N 3.32Å; S135-S138 WeakPolarHBondContact CA-OG 3.33Å; S135-S138 VanDerWaalsContact CB-OG 3.31Å; S135-S138 WeakPolarHBondContact CB-OG 3.45Å; S135-S138 PolarHBondContact N-OG 2.85Å; S135-S138 WeakPolarHBondContact O-CA 3.06Å; S135-S138 WeakPolarHBondContact O-CB 3.41Å; S135-S138 PolarHBondContact O-N 3.42Å; S135-S138 PolarHBondContact O-OG 3.41Å; S135-S138 VanDerWaalsContact O-OG 3.11Å |
| 136 | P | 63.8 | Low | 83.2 | Confident | 113 Ų | 113 | 78 Ų | 78 | 73% | 0.734 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -22.2 | 174 | -19 | 24.2 | 0 | 0 | 0 | 113.5 | ||
| 137 | H | 63.8 | Low | 83.2 | Confident | 162 Ų | 162 | 78 Ų | 78 | 75% | 0.75 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 10.4 | 178.1 | -57.1 | 75.3 | 0 | 0 | 0 | 112.5 | S135 F139 | S135-H137 PolarHBondContact O-N 3.07Å; S135-H137 PolarHBondContact OG-N 3.32Å; H137-F139 VanDerWaalsContact C-N 3.28Å; H137-F139 PolarHBondContact O-N 3.33Å |
| 138 | S | 63.3 | Low | 83.2 | Confident | 12 Ų | 12 | 76.9 Ų | 76.9 | 8% | 0.084 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -78.3 | -2.5 | -172.6 | -77.8 | 0 | 0 | 0 | 0 | 116.2 | V133 S135 G140 F141 D142 | V133-S138 WeakPolarHBondContact CG1-OG 3.4Å; V133-S138 WeakPolarHBondContact O-CB 3.46Å; V133-S138 PolarHBondContact O-OG 3.48Å; S135-S138 WeakPolarHBondContact CA-OG 3.33Å; S135-S138 VanDerWaalsContact CB-OG 3.31Å; S135-S138 WeakPolarHBondContact CB-OG 3.45Å; S135-S138 PolarHBondContact N-OG 2.85Å; S135-S138 WeakPolarHBondContact O-CA 3.06Å; S135-S138 WeakPolarHBondContact O-CB 3.41Å; S135-S138 PolarHBondContact O-N 3.42Å; S135-S138 PolarHBondContact O-OG 3.41Å; S135-S138 VanDerWaalsContact O-OG 3.11Å; S138-G140 PolarHBondContact O-N 2.88Å; S138-F141 PolarHBondContact O-N 3.43Å; S138-D142 PolarHBondContact O-N 3.22Å |
| 139 | F | 67.3 | Low | 83.2 | Confident | 186 Ų | 186 | 78.1 Ų | 78.1 | 82% | 0.816 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -54 | -28.2 | 174.9 | -69.6 | -77 | 0 | 0 | 0 | 112.1 | H137 F141 | H137-F139 VanDerWaalsContact C-N 3.28Å; H137-F139 PolarHBondContact O-N 3.33Å; F139-F141 VanDerWaalsContact C-N 3.33Å; F139-F141 PolarHBondContact O-N 2.83Å |
| 140 | G | 76 | Confident | 83.3 | Confident | 72 Ų | 72 | 76.3 Ų | 76.3 | 74% | 0.742 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -74.5 | -13.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | S138 | S138-G140 PolarHBondContact O-N 2.88Š|
| 141 | F | 84.9 | Confident | 83.6 | Confident | 119 Ų | 119 | 71 Ų | 71 | 52% | 0.522 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -105.2 | -2.5 | -179.4 | -62.7 | -70.6 | 0 | 0 | 0 | 113.4 | Q100 V133 S138 F139 L143 | Q100-F141 PolarHBondContact OE1-O 3.07Å; V133-F141 HydrophobicContact CB-CB 3.99Å; V133-F141 HydrophobicContact CB-CD2 3.75Å; V133-F141 HydrophobicContact CB-CE2 4.45Å; V133-F141 HydrophobicContact CB-CG 3.93Å; V133-F141 HydrophobicContact CG1-CD2 3.84Å; V133-F141 HydrophobicContact CG1-CE2 4.15Å; V133-F141 HydrophobicContact CG1-CG 4.49Å; V133-F141 HydrophobicContact CG2-CB 4.09Å; V133-F141 HydrophobicContact CG2-CD1 4.17Å; V133-F141 HydrophobicContact CG2-CD2 3.98Å; V133-F141 HydrophobicContact CG2-CE2 4.48Å; V133-F141 HydrophobicContact CG2-CG 3.82Å; S138-F141 PolarHBondContact O-N 3.43Å; F139-F141 VanDerWaalsContact C-N 3.33Å; F139-F141 PolarHBondContact O-N 2.83Å; F141-L143 PolarHBondContact O-N 3.33Å |
| 142 | D | 91.1 | Very high | 83.9 | Confident | 32 Ų | 32 | 70.6 Ų | 70.6 | 17% | 0.171 | 37% | 0.367 | C | S | . | . | trans | -77.2 | 116.7 | 173 | -173.3 | 2 | 0 | 0 | 0 | 110.5 | Q100 P131 S138 R144 P145 | Q100-D142 PolarHBondContact NE2-OD1 3.45Å; P131-D142 HydrophobicContact CB-CB 4.33Å; P131-D142 HydrophobicContact CG-CB 3.77Å; S138-D142 PolarHBondContact O-N 3.22Å; D142-R144 VanDerWaalsContact CG-NE 3.34Å; D142-R144 VanDerWaalsContact OD1-CB 3.32Å; D142-R144 WeakPolarHBondContact OD1-CB 3.38Å; D142-R144 WeakPolarHBondContact OD1-CG 3.46Å; D142-R144 IonicContact OD1-CZ 3.95Å; D142-R144 PolarHBondContact OD1-N 2.97Å; D142-R144 IonicContact OD1-NE 2.85Å; D142-R144 PolarHBondContact OD1-NE 3.47Å; D142-R144 IonicContact OD1-NH2 3.46Å; D142-R144 IonicContact OD2-CZ 3.19Å; D142-R144 IonicContact OD2-NE 3.86Å; D142-R144 PolarHBondContact OD2-NE 3.34Å; D142-R144 IonicContact OD2-NH2 3.44Å; D142-R144 PolarHBondContact OD2-NH2 3.12Å; D142-P145 WeakPolarHBondContact O-CD 3.44Å | ||
| 143 | L | 93.8 | Very high | 84.4 | Confident | 30 Ų | 30 | 68.9 Ų | 68.9 | 16% | 0.157 | 36% | 0.36 | C | S | . | . | trans | -91.5 | -3.1 | -178.2 | -58.7 | 174.8 | 0 | 0 | 0 | 113.2 | Q100 E101 Y104 T126 F141 L146 A147 | Q100-L143 HydrophobicContact CG-CB 4.24Å; E101-L143 HydrophobicContact CB-CD1 4.29Å; Y104-L143 HydrophobicContact CD1-CD1 4.08Å; Y104-L143 HydrophobicContact CD1-CD2 4.49Å; Y104-L143 HydrophobicContact CD2-CB 4.33Å; Y104-L143 HydrophobicContact CG-CB 4.22Å; Y104-L143 HydrophobicContact CG-CD1 4Å; T126-L143 HydrophobicContact CG2-CB 4.03Å; F141-L143 PolarHBondContact O-N 3.33Å; L143-L146 HydrophobicContact CD2-CD1 3.84Å; L143-L146 PolarHBondContact O-N 3.42Å; L143-A147 PolarHBondContact O-N 3.36Å | ||
| 144 | R | 93.4 | Very high | 85 | Confident | 69 Ų | 69 | 66.3 Ų | 66.3 | 26% | 0.26 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -56.9 | -46.7 | 178.7 | -64.8 | 176.2 | -66.7 | -165.6 | 0.4 | 112.4 | L127 E130 D142 L146 A147 V148 | L127-R144 HydrophobicContact CD2-CB 3.93Å; L127-R144 HydrophobicContact CD2-CG 4.22Å; E130-R144 IonicContact OE1-NH1 3.94Å; D142-R144 VanDerWaalsContact CG-NE 3.34Å; D142-R144 VanDerWaalsContact OD1-CB 3.32Å; D142-R144 WeakPolarHBondContact OD1-CB 3.38Å; D142-R144 WeakPolarHBondContact OD1-CG 3.46Å; D142-R144 IonicContact OD1-CZ 3.95Å; D142-R144 PolarHBondContact OD1-N 2.97Å; D142-R144 IonicContact OD1-NE 2.85Å; D142-R144 PolarHBondContact OD1-NE 3.47Å; D142-R144 IonicContact OD1-NH2 3.46Å; D142-R144 IonicContact OD2-CZ 3.19Å; D142-R144 IonicContact OD2-NE 3.86Å; D142-R144 PolarHBondContact OD2-NE 3.34Å; D142-R144 IonicContact OD2-NH2 3.44Å; D142-R144 PolarHBondContact OD2-NH2 3.12Å; R144-L146 VanDerWaalsContact C-N 3.27Å; R144-L146 PolarHBondContact O-N 2.96Å; R144-A147 PolarHBondContact O-N 3.18Å; R144-A147 VanDerWaalsContact O-N 3.16Å; R144-V148 WeakPolarHBondContact O-CG2 3.48Å; R144-V148 PolarHBondContact O-N 3.16Å |
| 145 | P | 91.8 | Very high | 86.1 | Confident | 71 Ų | 71 | 57.5 Ų | 57.5 | 46% | 0.461 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.2 | -37.5 | 177.9 | -24.6 | 35.6 | 0 | 0 | 0 | 113.1 | D142 H149 | D142-P145 WeakPolarHBondContact O-CD 3.44Å; P145-H149 WeakPolarHBondContact O-CB 3.29Å; P145-H149 PolarHBondContact O-N 2.96Å |
| 146 | L | 93.9 | Very high | 87.3 | Confident | 84 Ų | 84 | 58.3 Ų | 58.3 | 44% | 0.44 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -70.4 | -40.1 | 177.8 | -59.3 | 179.7 | 0 | 0 | 0 | 111.9 | Y104 L143 R144 H149 N150 | Y104-L146 HydrophobicContact CE2-CB 3.62Å; L143-L146 HydrophobicContact CD2-CD1 3.84Å; L143-L146 PolarHBondContact O-N 3.42Å; R144-L146 VanDerWaalsContact C-N 3.27Å; R144-L146 PolarHBondContact O-N 2.96Å; L146-H149 PolarHBondContact O-N 3.49Å; L146-N150 PolarHBondContact O-N 3.04Å; L146-N150 VanDerWaalsContact O-N 3.08Å; L146-N150 PolarHBondContact O-ND2 2.75Å; L146-N150 VanDerWaalsContact O-ND2 3.09Å |
| 147 | A | 96.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.3 | -44.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y104 Y123 T126 L127 L143 R144 H149 N150 L151 | Y104-A147 HydrophobicContact CD2-CB 4.27Å; Y123-A147 HydrophobicContact CD1-CB 4.14Å; Y123-A147 HydrophobicContact CG-CB 4.49Å; T126-A147 HydrophobicContact CG2-CB 3.92Å; L127-A147 HydrophobicContact CD2-CB 3.94Å; L127-A147 HydrophobicContact CG-CB 4.4Å; L143-A147 PolarHBondContact O-N 3.36Å; R144-A147 PolarHBondContact O-N 3.18Å; R144-A147 VanDerWaalsContact O-N 3.16Å; A147-H149 PolarHBondContact O-N 3.21Å; A147-N150 PolarHBondContact O-N 3.21Å; A147-L151 WeakPolarHBondContact O-CG 3.27Å; A147-L151 PolarHBondContact O-N 3.46Å |
| 148 | V | 95.7 | Very high | 90 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.1 | -48.5 | 174.7 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | L127 R144 N150 L151 I152 Y171 L172 | L127-V148 HydrophobicContact CD1-CG2 4.26Å; L127-V148 HydrophobicContact CD2-CG2 3.52Å; R144-V148 WeakPolarHBondContact O-CG2 3.48Å; R144-V148 PolarHBondContact O-N 3.16Å; V148-N150 VanDerWaalsContact C-N 3.33Å; V148-N150 PolarHBondContact O-N 3.11Å; V148-L151 PolarHBondContact O-N 3.45Å; V148-I152 HydrophobicContact CG1-CD1 3.62Å; V148-I152 HydrophobicContact CG1-CG1 4.36Å; V148-I152 WeakPolarHBondContact O-CG1 3.49Å; V148-I152 PolarHBondContact O-N 3.4Å; V148-Y171 HydrophobicContact CG2-CD1 4.07Å; V148-Y171 HydrophobicContact CG2-CD2 3.71Å; V148-Y171 HydrophobicContact CG2-CE2 4.35Å; V148-Y171 HydrophobicContact CG2-CG 3.56Å; V148-L172 HydrophobicContact CG1-CD1 4.36Å; V148-L172 HydrophobicContact CG1-CD2 4.25Å; V148-L172 HydrophobicContact CG1-CG 4.12Å |
| 149 | H | 94.8 | Very high | 91.4 | Very high | 111 Ų | 111 | 61.1 Ų | 61.1 | 51% | 0.514 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -56.9 | -47.2 | 178.1 | 178.9 | 76.5 | 0 | 0 | 0 | 111.7 | P145 L146 A147 L151 I152 C153 | P145-H149 WeakPolarHBondContact O-CB 3.29Å; P145-H149 PolarHBondContact O-N 2.96Å; L146-H149 PolarHBondContact O-N 3.49Å; A147-H149 PolarHBondContact O-N 3.21Å; H149-L151 PolarHBondContact O-N 3.22Å; H149-I152 PolarHBondContact O-N 3.4Å; H149-C153 PolarHBondContact O-N 2.85Å; H149-C153 PolarHBondContact O-SG 2.96Å; H149-C153 VanDerWaalsContact O-SG 3.36Å |
| 150 | N | 96.4 | Very high | 92.6 | Very high | 11 Ų | 11 | 55.7 Ų | 55.7 | 6% | 0.059 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.3 | -42 | 179.2 | -65.2 | -31.4 | 0 | 0 | 0 | 112.2 | Y104 R108 Y123 L146 A147 V148 C153 M154 | Y104-N150 PolarHBondContact OH-ND2 3.5Å; R108-N150 WeakPolarHBondContact CD-ND2 3.46Å; R108-N150 VanDerWaalsContact NH1-CG 3.29Å; R108-N150 PolarHBondContact NH1-ND2 2.88Å; R108-N150 VanDerWaalsContact NH1-ND2 3.1Å; R108-N150 PolarHBondContact NH1-OD1 3.27Å; Y123-N150 HydrophobicContact CD2-CB 4.25Å; Y123-N150 HydrophobicContact CE1-CB 4.3Å; Y123-N150 HydrophobicContact CE2-CB 3.72Å; L146-N150 PolarHBondContact O-N 3.04Å; L146-N150 VanDerWaalsContact O-N 3.08Å; L146-N150 PolarHBondContact O-ND2 2.75Å; L146-N150 VanDerWaalsContact O-ND2 3.09Å; A147-N150 PolarHBondContact O-N 3.21Å; V148-N150 VanDerWaalsContact C-N 3.33Å; V148-N150 PolarHBondContact O-N 3.11Å; N150-C153 WeakPolarHBondContact O-CB 3.23Å; N150-C153 PolarHBondContact O-N 3.1Å; N150-M154 VanDerWaalsContact O-CG 3.26Å; N150-M154 WeakPolarHBondContact O-CG 3.37Å; N150-M154 PolarHBondContact O-N 3.28Å |
| 151 | L | 96.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 176.3 | -78.2 | 168.5 | 0 | 0 | 0 | 112 | V120 Y123 L127 A147 V148 H149 C153 M154 Y155 L167 | V120-L151 HydrophobicContact CB-CD2 4.19Å; V120-L151 HydrophobicContact CG1-CD2 3.91Å; V120-L151 HydrophobicContact CG2-CD2 4.09Å; Y123-L151 HydrophobicContact CD2-CD2 4.05Å; Y123-L151 HydrophobicContact CD2-CG 4.06Å; Y123-L151 HydrophobicContact CG-CD2 4.47Å; Y123-L151 HydrophobicContact CG-CG 4.23Å; L127-L151 HydrophobicContact CD1-CD1 3.66Å; L127-L151 HydrophobicContact CG-CD1 4.47Å; A147-L151 WeakPolarHBondContact O-CG 3.27Å; A147-L151 PolarHBondContact O-N 3.46Å; V148-L151 PolarHBondContact O-N 3.45Å; H149-L151 PolarHBondContact O-N 3.22Å; L151-C153 VanDerWaalsContact C-N 3.34Å; L151-C153 PolarHBondContact O-N 3.21Å; L151-M154 PolarHBondContact O-N 3.04Å; L151-Y155 WeakPolarHBondContact O-CB 3.46Å; L151-Y155 PolarHBondContact O-N 3.05Å; L151-L167 HydrophobicContact CB-CD1 3.58Å; L151-L167 HydrophobicContact CD1-CD1 4.08Å; L151-L167 HydrophobicContact CG-CD1 4.43Å |
| 152 | I | 95 | Very high | 93.9 | Very high | 8 Ų | 8 | 55.6 Ų | 55.6 | 4% | 0.041 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.5 | -47.2 | 175 | -73.8 | 164.7 | 0 | 0 | 0 | 110.5 | V148 H149 M154 Y155 N156 A164 L167 M168 L172 | V148-I152 HydrophobicContact CG1-CD1 3.62Å; V148-I152 HydrophobicContact CG1-CG1 4.36Å; V148-I152 WeakPolarHBondContact O-CG1 3.49Å; V148-I152 PolarHBondContact O-N 3.4Å; H149-I152 PolarHBondContact O-N 3.4Å; I152-M154 VanDerWaalsContact C-N 3.31Å; I152-M154 PolarHBondContact O-N 2.84Å; I152-Y155 PolarHBondContact O-N 3.32Å; I152-N156 WeakPolarHBondContact O-CB 3.31Å; I152-N156 VanDerWaalsContact O-CG 3.3Å; I152-N156 PolarHBondContact O-N 2.84Å; I152-N156 PolarHBondContact O-ND2 3.1Å; I152-A164 HydrophobicContact CG2-CB 4.47Å; I152-L167 HydrophobicContact CG1-CB 4.16Å; I152-M168 HydrophobicContact CD1-CB 4.48Å; I152-M168 HydrophobicContact CD1-CE 4.21Å; I152-M168 HydrophobicContact CD1-CG 3.46Å; I152-M168 VanDerWaalsContact CD1-CG 3.46Å; I152-M168 HydrophobicContact CG1-CE 4.47Å; I152-M168 HydrophobicContact CG1-CG 4.14Å; I152-M168 HydrophobicContact CG2-CE 3.38Å; I152-L172 HydrophobicContact CD1-CD1 3.71Å |
| 153 | C | 93.6 | Very high | 93.9 | Very high | 41 Ų | 41 | 55 Ų | 55 | 28% | 0.277 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.2 | -44.4 | 177 | -70.7 | 0 | 0 | 0 | 0 | 111.6 | H149 N150 L151 N156 Q157 | H149-C153 PolarHBondContact O-N 2.85Å; H149-C153 PolarHBondContact O-SG 2.96Å; H149-C153 VanDerWaalsContact O-SG 3.36Å; N150-C153 WeakPolarHBondContact O-CB 3.23Å; N150-C153 PolarHBondContact O-N 3.1Å; L151-C153 VanDerWaalsContact C-N 3.34Å; L151-C153 PolarHBondContact O-N 3.21Å; C153-N156 PolarHBondContact O-N 3.31Å; C153-Q157 VanDerWaalsContact O-CG 3.28Å; C153-Q157 WeakPolarHBondContact O-CG 3.25Å; C153-Q157 PolarHBondContact O-N 3.47Å |
| 154 | M | 94 | Very high | 93.9 | Very high | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.4 | -41.4 | 179.3 | -67.8 | 164.8 | 74.5 | 0 | 0 | 112.4 | V116 A119 V120 Y123 N150 L151 I152 Q157 S158 | V116-M154 HydrophobicContact CB-CE 4.11Å; V116-M154 HydrophobicContact CG1-CE 3.39Å; V116-M154 WeakPolarHBondContact O-CE 3.33Å; A119-M154 HydrophobicContact CB-CE 3.76Å; V120-M154 HydrophobicContact CG2-CE 3.46Å; V120-M154 VanDerWaalsContact CG2-CE 3.46Å; V120-M154 HydrophobicContact CG2-SD 4.44Å; Y123-M154 HydrophobicContact CD2-SD 3.89Å; Y123-M154 HydrophobicContact CE2-SD 3.56Å; Y123-M154 VanDerWaalsContact CE2-SD 3.56Å; N150-M154 VanDerWaalsContact O-CG 3.26Å; N150-M154 WeakPolarHBondContact O-CG 3.37Å; N150-M154 PolarHBondContact O-N 3.28Å; L151-M154 PolarHBondContact O-N 3.04Å; I152-M154 VanDerWaalsContact C-N 3.31Å; I152-M154 PolarHBondContact O-N 2.84Å; M154-Q157 PolarHBondContact O-N 3.48Å; M154-S158 PolarHBondContact O-N 3.36Å; M154-S158 PolarHBondContact O-OG 3.16Å |
| 155 | Y | 94.2 | Very high | 93.8 | Very high | 27 Ų | 27 | 56.3 Ų | 56.3 | 11% | 0.106 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.1 | -37.5 | 176.3 | -68.8 | -24 | 0 | 0 | 0 | 112.4 | R124 L151 I152 S158 N159 N160 A163 L167 | R124-Y155 PolarHBondContact NH2-OH 3.49Å; R124-Y155 VanDerWaalsContact NH2-OH 3.16Å; L151-Y155 WeakPolarHBondContact O-CB 3.46Å; L151-Y155 PolarHBondContact O-N 3.05Å; I152-Y155 PolarHBondContact O-N 3.32Å; Y155-S158 WeakPolarHBondContact CA-OG 3.12Å; Y155-S158 CarbonylContact O-C 3.45Å; Y155-S158 PolarHBondContact O-N 3.04Å; Y155-S158 PolarHBondContact O-OG 3.02Å; Y155-S158 VanDerWaalsContact O-OG 3.11Å; Y155-N159 PolarHBondContact O-N 3.14Å; Y155-N160 PolarHBondContact O-N 3.34Å; Y155-A163 HydrophobicContact CD2-CB 3.69Å; Y155-A163 HydrophobicContact CE2-CB 3.79Å; Y155-A163 HydrophobicContact CG-CB 4.12Å; Y155-L167 HydrophobicContact CD2-CD1 3.85Å; Y155-L167 HydrophobicContact CE2-CD1 3.39Å; Y155-L167 HydrophobicContact CE2-CG 4.16Å |
| 156 | N | 93 | Very high | 93.9 | Very high | 73 Ų | 73 | 57.4 Ų | 57.4 | 39% | 0.39 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.8 | -41 | 172.8 | -73.6 | -27.2 | 0 | 0 | 0 | 111.5 | I152 C153 S158 N159 A164 | I152-N156 WeakPolarHBondContact O-CB 3.31Å; I152-N156 VanDerWaalsContact O-CG 3.3Å; I152-N156 PolarHBondContact O-N 2.84Å; I152-N156 PolarHBondContact O-ND2 3.1Å; C153-N156 PolarHBondContact O-N 3.31Å; N156-S158 VanDerWaalsContact C-N 3.28Å; N156-S158 PolarHBondContact O-N 2.91Å; N156-N159 PolarHBondContact O-N 3.27Å; N156-N159 VanDerWaalsContact O-N 3.15Å; N156-A164 WeakPolarHBondContact OD1-CB 3.49Å |
| 157 | Q | 92.6 | Very high | 93.7 | Very high | 139 Ų | 139 | 54.5 Ų | 54.5 | 65% | 0.65 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -64.4 | -30.7 | 176 | -74.3 | 172 | 1.2 | 0 | 0 | 113.1 | C153 M154 N159 | C153-Q157 VanDerWaalsContact O-CG 3.28Å; C153-Q157 WeakPolarHBondContact O-CG 3.25Å; C153-Q157 PolarHBondContact O-N 3.47Å; M154-Q157 PolarHBondContact O-N 3.48Å; Q157-N159 VanDerWaalsContact C-N 3.33Å |
| 158 | S | 92.5 | Very high | 93.4 | Very high | 73 Ų | 73 | 58 Ų | 58 | 51% | 0.51 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 8 | 175.6 | 65.7 | 0 | 0 | 0 | 0 | 114.1 | M154 Y155 N156 N160 | M154-S158 PolarHBondContact O-N 3.36Å; M154-S158 PolarHBondContact O-OG 3.16Å; Y155-S158 WeakPolarHBondContact CA-OG 3.12Å; Y155-S158 CarbonylContact O-C 3.45Å; Y155-S158 PolarHBondContact O-N 3.04Å; Y155-S158 PolarHBondContact O-OG 3.02Å; Y155-S158 VanDerWaalsContact O-OG 3.11Å; N156-S158 VanDerWaalsContact C-N 3.28Å; N156-S158 PolarHBondContact O-N 2.91Å; S158-N160 PolarHBondContact O-N 3.24Å |
| 159 | N | 92.9 | Very high | 93.2 | Very high | 135 Ų | 135 | 64 Ų | 64 | 72% | 0.722 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 19.4 | -174.2 | -64 | -54.7 | 0 | 0 | 0 | 114.9 | Y155 N156 Q157 I161 | Y155-N159 PolarHBondContact O-N 3.14Å; N156-N159 PolarHBondContact O-N 3.27Å; N156-N159 VanDerWaalsContact O-N 3.15Å; Q157-N159 VanDerWaalsContact C-N 3.33Å; N159-I161 VanDerWaalsContact C-N 3.26Å; N159-I161 PolarHBondContact O-N 3.12Å |
| 160 | N | 92.7 | Very high | 92.9 | Very high | 71 Ų | 71 | 66 Ų | 66 | 38% | 0.38 | 34% | 0.342 | S | S | . | . | trans | -85.9 | 67.3 | 172.5 | -166.8 | -14.1 | 0 | 0 | 0 | 111 | Y155 S158 T162 A163 A164 | Y155-N160 PolarHBondContact O-N 3.34Å; S158-N160 PolarHBondContact O-N 3.24Å; N160-T162 VanDerWaalsContact C-N 3.25Å; N160-T162 PolarHBondContact O-N 3.33Å; N160-A163 HydrophobicContact CB-CB 4.48Å; N160-A163 PolarHBondContact O-N 3.22Å; N160-A163 VanDerWaalsContact OD1-CB 3.29Å; N160-A163 WeakPolarHBondContact OD1-CB 3.31Å; N160-A163 PolarHBondContact OD1-N 3.43Å; N160-A163 VanDerWaalsContact OD1-N 3.15Å; N160-A164 PolarHBondContact O-N 3.08Å | ||
| 161 | I | 92.9 | Very high | 92.4 | Very high | 91 Ų | 91 | 69.2 Ų | 69.2 | 47% | 0.467 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.8 | -34.6 | -175.2 | -57.6 | 172.6 | 0 | 0 | 0 | 111.2 | N159 A164 K165 | N159-I161 VanDerWaalsContact C-N 3.26Å; N159-I161 PolarHBondContact O-N 3.12Å; I161-A164 PolarHBondContact O-N 3.09Å; I161-K165 HydrophobicContact CG2-CD 4.26Å; I161-K165 HydrophobicContact CG2-CG 4.44Å; I161-K165 WeakPolarHBondContact O-CG 3.26Å; I161-K165 PolarHBondContact O-N 3.35Å |
| 162 | T | 94.4 | Very high | 91.5 | Very high | 98 Ų | 98 | 73.4 Ų | 73.4 | 60% | 0.601 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -61.7 | -51.8 | 179.4 | -47.5 | 0 | 0 | 0 | 0 | 110.9 | N160 A164 K165 D166 | N160-T162 VanDerWaalsContact C-N 3.25Å; N160-T162 PolarHBondContact O-N 3.33Å; T162-A164 VanDerWaalsContact C-N 3.27Å; T162-A164 PolarHBondContact O-N 2.91Å; T162-K165 PolarHBondContact O-N 3.14Å; T162-K165 VanDerWaalsContact O-N 3.13Å; T162-D166 VanDerWaalsContact O-CG 3.29Å; T162-D166 PolarHBondContact O-N 2.96Å |
| 163 | A | 92.5 | Very high | 90.4 | Very high | 21 Ų | 21 | 79.1 Ų | 79.1 | 17% | 0.174 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.3 | -33.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y155 N160 L167 | Y155-A163 HydrophobicContact CD2-CB 3.69Å; Y155-A163 HydrophobicContact CE2-CB 3.79Å; Y155-A163 HydrophobicContact CG-CB 4.12Å; N160-A163 HydrophobicContact CB-CB 4.48Å; N160-A163 PolarHBondContact O-N 3.22Å; N160-A163 VanDerWaalsContact OD1-CB 3.29Å; N160-A163 WeakPolarHBondContact OD1-CB 3.31Å; N160-A163 PolarHBondContact OD1-N 3.43Å; N160-A163 VanDerWaalsContact OD1-N 3.15Å; A163-L167 PolarHBondContact O-N 3.34Å |
| 164 | A | 92.9 | Very high | 88.7 | Confident | 1 Ų | 1 | 87.3 Ų | 87.3 | 1% | 0.008 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -64.2 | -45.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I152 N156 N160 I161 T162 L167 M168 | I152-A164 HydrophobicContact CG2-CB 4.47Å; N156-A164 WeakPolarHBondContact OD1-CB 3.49Å; N160-A164 PolarHBondContact O-N 3.08Å; I161-A164 PolarHBondContact O-N 3.09Å; T162-A164 VanDerWaalsContact C-N 3.27Å; T162-A164 PolarHBondContact O-N 2.91Å; A164-L167 PolarHBondContact O-N 2.88Å; A164-M168 WeakPolarHBondContact O-CG 3.38Å; A164-M168 PolarHBondContact O-N 3.4Å |
| 165 | K | 92.1 | Very high | 88.4 | Confident | 124 Ų | 124 | 91.6 Ų | 91.6 | 54% | 0.539 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 177.4 | -75 | 179.3 | 177.4 | -179.6 | 0 | 112.1 | I161 T162 L167 M168 Q169 | I161-K165 HydrophobicContact CG2-CD 4.26Å; I161-K165 HydrophobicContact CG2-CG 4.44Å; I161-K165 WeakPolarHBondContact O-CG 3.26Å; I161-K165 PolarHBondContact O-N 3.35Å; T162-K165 PolarHBondContact O-N 3.14Å; T162-K165 VanDerWaalsContact O-N 3.13Å; K165-L167 VanDerWaalsContact C-N 3.31Å; K165-L167 PolarHBondContact O-N 2.78Å; K165-M168 WeakPolarHBondContact O-CB 3.41Å; K165-M168 PolarHBondContact O-N 2.93Å; K165-Q169 WeakPolarHBondContact O-CG 3.11Å; K165-Q169 PolarHBondContact O-N 3.2Å |
| 166 | D | 92.6 | Very high | 88.1 | Confident | 94 Ų | 94 | 95 Ų | 95 | 50% | 0.503 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 178.9 | -64.4 | -14.7 | 0 | 0 | 0 | 111.3 | T162 Q169 K170 | T162-D166 VanDerWaalsContact O-CG 3.29Å; T162-D166 PolarHBondContact O-N 2.96Å; D166-Q169 PolarHBondContact O-N 2.84Å; D166-K170 WeakPolarHBondContact O-CB 3.42Å; D166-K170 PolarHBondContact O-N 3.44Å |
| 167 | L | 91 | Very high | 87.8 | Confident | 24 Ų | 24 | 96.2 Ų | 96.2 | 13% | 0.126 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -66 | -42.2 | 174.9 | -79.8 | -175.4 | 0 | 0 | 0 | 112.9 | L151 I152 Y155 A163 A164 K165 Q169 K170 Y171 | L151-L167 HydrophobicContact CB-CD1 3.58Å; L151-L167 HydrophobicContact CD1-CD1 4.08Å; L151-L167 HydrophobicContact CG-CD1 4.43Å; I152-L167 HydrophobicContact CG1-CB 4.16Å; Y155-L167 HydrophobicContact CD2-CD1 3.85Å; Y155-L167 HydrophobicContact CE2-CD1 3.39Å; Y155-L167 HydrophobicContact CE2-CG 4.16Å; A163-L167 PolarHBondContact O-N 3.34Å; A164-L167 PolarHBondContact O-N 2.88Å; K165-L167 VanDerWaalsContact C-N 3.31Å; K165-L167 PolarHBondContact O-N 2.78Å; L167-Q169 VanDerWaalsContact C-N 3.31Å; L167-Q169 PolarHBondContact O-N 2.71Å; L167-K170 PolarHBondContact O-N 2.83Å; L167-Y171 HydrophobicContact CD2-CD2 4Å; L167-Y171 HydrophobicContact CD2-CE2 3.8Å; L167-Y171 PolarHBondContact O-N 3.26Å; L167-Y171 VanDerWaalsContact O-N 3.08Å |
| 168 | M | 89.6 | Confident | 87.5 | Confident | 74 Ų | 74 | 93.7 Ų | 93.7 | 37% | 0.365 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.6 | -46.4 | 175.7 | -72.1 | -179.4 | -177.9 | 0 | 0 | 110.9 | I152 A164 K165 K170 L172 L173 | I152-M168 HydrophobicContact CD1-CB 4.48Å; I152-M168 HydrophobicContact CD1-CE 4.21Å; I152-M168 HydrophobicContact CD1-CG 3.46Å; I152-M168 VanDerWaalsContact CD1-CG 3.46Å; I152-M168 HydrophobicContact CG1-CE 4.47Å; I152-M168 HydrophobicContact CG1-CG 4.14Å; I152-M168 HydrophobicContact CG2-CE 3.38Å; A164-M168 WeakPolarHBondContact O-CG 3.38Å; A164-M168 PolarHBondContact O-N 3.4Å; K165-M168 WeakPolarHBondContact O-CB 3.41Å; K165-M168 PolarHBondContact O-N 2.93Å; M168-K170 VanDerWaalsContact C-N 3.33Å; M168-K170 PolarHBondContact O-N 3.25Å; M168-L172 HydrophobicContact CB-CD1 4.46Å; M168-L172 HydrophobicContact CG-CD1 4.12Å; M168-L172 WeakPolarHBondContact O-CA 3.37Å; M168-L172 WeakPolarHBondContact O-CB 3.28Å; M168-L172 PolarHBondContact O-N 3.01Å; M168-L173 PolarHBondContact O-N 3.18Å |
| 169 | Q | 90.1 | Very high | 87.2 | Confident | 126 Ų | 126 | 95 Ų | 95 | 59% | 0.589 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.1 | -39.5 | 179.6 | -72.1 | 179.2 | -1.4 | 0 | 0 | 112.2 | K165 D166 L167 L173 | K165-Q169 WeakPolarHBondContact O-CG 3.11Å; K165-Q169 PolarHBondContact O-N 3.2Å; D166-Q169 PolarHBondContact O-N 2.84Å; L167-Q169 VanDerWaalsContact C-N 3.31Å; L167-Q169 PolarHBondContact O-N 2.71Å; Q169-L173 HydrophobicContact CB-CD1 4.28Å; Q169-L173 HydrophobicContact CG-CD1 3.99Å |
| 170 | K | 89.3 | Confident | 86.9 | Confident | 151 Ų | 151 | 92.3 Ų | 92.3 | 66% | 0.657 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -72.1 | -32.7 | -177.5 | -174.8 | 173.6 | 176.7 | -171.2 | 0 | 113.9 | D166 L167 M168 | D166-K170 WeakPolarHBondContact O-CB 3.42Å; D166-K170 PolarHBondContact O-N 3.44Å; L167-K170 PolarHBondContact O-N 2.83Å; M168-K170 VanDerWaalsContact C-N 3.33Å; M168-K170 PolarHBondContact O-N 3.25Å |
| 171 | Y | 85.7 | Confident | 86.4 | Confident | 80 Ų | 80 | 93.9 Ų | 93.9 | 31% | 0.314 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -125.9 | -19.6 | -167.7 | -68.2 | -80.3 | 0 | 0 | 0 | 116 | L127 V148 L167 | L127-Y171 HydrophobicContact CD1-CE2 4.09Å; V148-Y171 HydrophobicContact CG2-CD1 4.07Å; V148-Y171 HydrophobicContact CG2-CD2 3.71Å; V148-Y171 HydrophobicContact CG2-CE2 4.35Å; V148-Y171 HydrophobicContact CG2-CG 3.56Å; L167-Y171 HydrophobicContact CD2-CD2 4Å; L167-Y171 HydrophobicContact CD2-CE2 3.8Å; L167-Y171 PolarHBondContact O-N 3.26Å; L167-Y171 VanDerWaalsContact O-N 3.08Å |
| 172 | L | 77.5 | Confident | 85.9 | Confident | 89 Ų | 89 | 94.1 Ų | 94.1 | 47% | 0.466 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | -15 | -174.6 | -59.5 | -179.5 | 0 | 0 | 0 | 113.8 | V148 I152 M168 | V148-L172 HydrophobicContact CG1-CD1 4.36Å; V148-L172 HydrophobicContact CG1-CD2 4.25Å; V148-L172 HydrophobicContact CG1-CG 4.12Å; I152-L172 HydrophobicContact CD1-CD1 3.71Å; M168-L172 HydrophobicContact CB-CD1 4.46Å; M168-L172 HydrophobicContact CG-CD1 4.12Å; M168-L172 WeakPolarHBondContact O-CA 3.37Å; M168-L172 WeakPolarHBondContact O-CB 3.28Å; M168-L172 PolarHBondContact O-N 3.01Å |
| 173 | L | 73.2 | Confident | 85.2 | Confident | 128 Ų | 128 | 93.8 Ų | 93.8 | 67% | 0.67 | 48% | 0.475 | S | S | * | . | trans | -90.2 | 110.7 | 172.7 | -61.9 | 179.3 | 0 | 0 | 0 | 108.5 | M168 Q169 | M168-L173 PolarHBondContact O-N 3.18Å; Q169-L173 HydrophobicContact CB-CD1 4.28Å; Q169-L173 HydrophobicContact CG-CD1 3.99Å | ||
| 174 | V | 56.4 | Low | 84.6 | Confident | 213 Ų | 213 | 100.4 Ų | 100.4 | 100% | 1.291 | 50% | 0.502 | S | S | * | . | trans | -90.7 | 0 | 166.2 | -178.8 | 0 | 0 | 0 | 0 | 108.6 |
Retrieved 174 of 174 residues in 38.2 ms
(Link to these results)