| 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 | 61.6 | Low | 91.2 | Very high | 152 Ų | 152 | 88.9 Ų | 88.9 | 75% | 0.749 | 43% | 0.427 | S | S | * | . | 0 | 154 | 0 | -74.6 | -168.9 | -71.3 | 0 | 0 | 107.6 | R5 I9 | M1-R5 HydrophobicContact SD-CG 4.48Å; M1-I9 HydrophobicContact CE-CD1 4.42Å; M1-I9 HydrophobicContact SD-CD1 4.21Å | |||
| 2 | D | 84.5 | Confident | 91.8 | Very high | 105 Ų | 105 | 81.5 Ų | 81.5 | 56% | 0.561 | 39% | 0.391 | S | S | * | . | trans | -65.2 | 142.6 | 170.1 | 179.2 | 24.3 | 0 | 0 | 0 | 110.3 | L4 R5 E6 | D2-L4 PolarHBondContact O-N 3.34Å; D2-R5 WeakPolarHBondContact O-CB 3.45Å; D2-R5 PolarHBondContact O-N 3.42Å; D2-E6 PolarHBondContact O-N 3.21Å | ||
| 3 | E | 89.5 | Confident | 92.3 | Very high | 169 Ų | 169 | 80.8 Ų | 80.8 | 79% | 0.79 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -57.4 | -35.3 | -176.9 | -69.6 | -178.5 | 176.2 | 0 | 0 | 111.5 | R7 | E3-R7 WeakPolarHBondContact O-CB 3.27Å; E3-R7 PolarHBondContact O-N 3.18Å |
| 4 | L | 90.6 | Very high | 92.7 | Very high | 66 Ų | 66 | 82 Ų | 82 | 35% | 0.346 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.6 | -39.9 | 177.2 | -177.6 | 60.9 | 0 | 0 | 0 | 112.2 | D2 N8 | D2-L4 PolarHBondContact O-N 3.34Å; L4-N8 WeakPolarHBondContact O-CB 3.42Å; L4-N8 PolarHBondContact O-N 3.35Å; L4-N8 PolarHBondContact O-ND2 2.95Å |
| 5 | R | 94.9 | Very high | 93.1 | Very high | 30 Ų | 30 | 77.1 Ų | 77.1 | 11% | 0.113 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.9 | -47.9 | 178.2 | -173.1 | -179.2 | -174.2 | 157.7 | -1.3 | 110.4 | M1 D2 N8 I9 I31 T35 T37 E43 | M1-R5 HydrophobicContact SD-CG 4.48Å; D2-R5 WeakPolarHBondContact O-CB 3.45Å; D2-R5 PolarHBondContact O-N 3.42Å; R5-N8 PolarHBondContact O-N 3.07Å; R5-I9 HydrophobicContact CG-CD1 4.23Å; R5-I9 WeakPolarHBondContact O-CG1 3.36Å; R5-I9 PolarHBondContact O-N 3.42Å; R5-I31 HydrophobicContact CG-CG2 4.22Å; R5-T35 HydrophobicContact CG-CG2 4.05Å; R5-T37 PolarHBondContact NH1-OG1 3.34Å; R5-E43 IonicContact CZ-OE1 3.55Å; R5-E43 VanDerWaalsContact CZ-OE1 3.28Å; R5-E43 IonicContact CZ-OE2 3.34Å; R5-E43 IonicContact NE-OE1 3.46Å; R5-E43 PolarHBondContact NE-OE1 3.25Å; R5-E43 IonicContact NE-OE2 2.81Å; R5-E43 VanDerWaalsContact NH2-CD 3.26Å; R5-E43 IonicContact NH2-OE1 3.87Å; R5-E43 PolarHBondContact NH2-OE1 3.48Å; R5-E43 IonicContact NH2-OE2 3.75Å; R5-E43 PolarHBondContact NH2-OE2 3.39Å |
| 6 | E | 95 | Very high | 93.5 | Very high | 112 Ų | 112 | 76.9 Ų | 76.9 | 52% | 0.523 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63 | -44.5 | 179.3 | -174.3 | 170 | -174.8 | 0 | 0 | 111.9 | D2 N8 I9 V10 | D2-E6 PolarHBondContact O-N 3.21Å; E6-N8 VanDerWaalsContact C-N 3.32Å; E6-N8 PolarHBondContact O-N 3.13Å; E6-I9 PolarHBondContact O-N 3.07Å; E6-V10 WeakPolarHBondContact O-CG2 3.39Å; E6-V10 PolarHBondContact O-N 2.8Å |
| 7 | R | 96 | Very high | 93.7 | Very high | 171 Ų | 171 | 81.8 Ų | 81.8 | 65% | 0.645 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -56.8 | -44.9 | 174.3 | 176.4 | -177.2 | 156 | -164.6 | -7.8 | 112 | E3 V10 L11 | E3-R7 WeakPolarHBondContact O-CB 3.27Å; E3-R7 PolarHBondContact O-N 3.18Å; R7-V10 PolarHBondContact O-N 3.5Å; R7-L11 WeakPolarHBondContact O-CB 3.36Å; R7-L11 PolarHBondContact O-N 2.88Å |
| 8 | N | 97.3 | Very high | 94 | Very high | 11 Ų | 11 | 80.8 Ų | 80.8 | 6% | 0.059 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -69.5 | -32.5 | -179.7 | -78 | -29.4 | 0 | 0 | 0 | 112.6 | L4 R5 E6 L11 A12 A27 E30 I31 | L4-N8 WeakPolarHBondContact O-CB 3.42Å; L4-N8 PolarHBondContact O-N 3.35Å; L4-N8 PolarHBondContact O-ND2 2.95Å; R5-N8 PolarHBondContact O-N 3.07Å; E6-N8 VanDerWaalsContact C-N 3.32Å; E6-N8 PolarHBondContact O-N 3.13Å; N8-L11 PolarHBondContact O-N 3.22Å; N8-A12 WeakPolarHBondContact O-CB 3.46Å; N8-A12 PolarHBondContact O-N 3.34Å; N8-A27 HydrophobicContact CB-CB 4.39Å; N8-E30 WeakPolarHBondContact ND2-CB 3.47Å; N8-I31 HydrophobicContact CB-CD1 3.64Å; N8-I31 HydrophobicContact CB-CG1 3.52Å |
| 9 | I | 97.7 | Very high | 94.2 | Very high | 15 Ų | 15 | 84.2 Ų | 84.2 | 8% | 0.077 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -64.9 | -46.9 | 173.4 | -67.1 | 164.9 | 0 | 0 | 0 | 110.4 | M1 R5 E6 L11 A12 K13 I31 E43 L46 | M1-I9 HydrophobicContact CE-CD1 4.42Å; M1-I9 HydrophobicContact SD-CD1 4.21Å; R5-I9 HydrophobicContact CG-CD1 4.23Å; R5-I9 WeakPolarHBondContact O-CG1 3.36Å; R5-I9 PolarHBondContact O-N 3.42Å; E6-I9 PolarHBondContact O-N 3.07Å; I9-L11 VanDerWaalsContact C-N 3.32Å; I9-L11 PolarHBondContact O-N 3.49Å; I9-A12 PolarHBondContact O-N 3.35Å; I9-K13 HydrophobicContact CG2-CD 4.29Å; I9-K13 WeakPolarHBondContact O-CG 3.26Å; I9-K13 PolarHBondContact O-N 2.8Å; I9-I31 HydrophobicContact CG1-CD1 3.77Å; I9-E43 HydrophobicContact CD1-CG 4.12Å; I9-E43 WeakPolarHBondContact CD1-OE1 3.45Å; I9-E43 HydrophobicContact CG1-CG 4.25Å; I9-L46 HydrophobicContact CG2-CD1 4.32Å |
| 10 | V | 97.9 | Very high | 94.4 | Very high | 79 Ų | 79 | 86.7 Ų | 86.7 | 48% | 0.479 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 176.8 | 174.2 | 0 | 0 | 0 | 0 | 110.5 | E6 R7 K13 L14 | E6-V10 WeakPolarHBondContact O-CG2 3.39Å; E6-V10 PolarHBondContact O-N 2.8Å; R7-V10 PolarHBondContact O-N 3.5Å; V10-K13 PolarHBondContact O-N 2.61Å; V10-L14 HydrophobicContact CG1-CD1 4.17Å; V10-L14 WeakPolarHBondContact O-CG 3.38Å; V10-L14 PolarHBondContact O-N 2.86Å |
| 11 | L | 98.1 | Very high | 94.6 | Very high | 68 Ų | 68 | 84.8 Ų | 84.8 | 36% | 0.356 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.5 | -45.7 | 176 | -179.9 | 59.4 | 0 | 0 | 0 | 111.7 | R7 N8 I9 K13 L14 C15 A27 | R7-L11 WeakPolarHBondContact O-CB 3.36Å; R7-L11 PolarHBondContact O-N 2.88Å; N8-L11 PolarHBondContact O-N 3.22Å; I9-L11 VanDerWaalsContact C-N 3.32Å; I9-L11 PolarHBondContact O-N 3.49Å; L11-K13 VanDerWaalsContact C-N 3.33Å; L11-K13 PolarHBondContact O-N 3.14Å; L11-L14 PolarHBondContact O-N 3.33Å; L11-C15 WeakPolarHBondContact O-CB 3.37Å; L11-C15 PolarHBondContact O-N 3.01Å; L11-C15 PolarHBondContact O-SG 2.98Å; L11-A27 HydrophobicContact CD2-CB 4.1Å; L11-A27 HydrophobicContact CG-CB 4.29Å |
| 12 | A | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 80.9 Ų | 80.9 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60 | -41.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | N8 I9 C15 E16 M24 A27 M28 L46 | N8-A12 WeakPolarHBondContact O-CB 3.46Å; N8-A12 PolarHBondContact O-N 3.34Å; I9-A12 PolarHBondContact O-N 3.35Å; A12-C15 WeakPolarHBondContact O-CB 3.46Å; A12-C15 PolarHBondContact O-N 3.08Å; A12-E16 PolarHBondContact O-N 3.06Å; A12-M24 HydrophobicContact CB-CE 4.48Å; A12-M24 HydrophobicContact CB-CG 4.06Å; A12-A27 HydrophobicContact CB-CB 4.44Å; A12-M28 HydrophobicContact CB-CG 4.27Å; A12-M28 HydrophobicContact CB-SD 3.64Å; A12-L46 HydrophobicContact CB-CD1 4.44Å |
| 13 | K | 98.4 | Very high | 96.9 | Very high | 72 Ų | 72 | 78.6 Ų | 78.6 | 31% | 0.313 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 175.4 | -70.4 | 175.8 | 177.8 | -177.4 | 0 | 112.7 | I9 V10 L11 E16 Q17 E42 L46 | I9-K13 HydrophobicContact CG2-CD 4.29Å; I9-K13 WeakPolarHBondContact O-CG 3.26Å; I9-K13 PolarHBondContact O-N 2.8Å; V10-K13 PolarHBondContact O-N 2.61Å; L11-K13 VanDerWaalsContact C-N 3.33Å; L11-K13 PolarHBondContact O-N 3.14Å; K13-E16 PolarHBondContact O-N 3.08Å; K13-Q17 WeakPolarHBondContact O-CG 3.2Å; K13-Q17 PolarHBondContact O-N 3.06Å; K13-Q17 VanDerWaalsContact O-N 3.14Å; K13-E42 WeakPolarHBondContact CE-OE1 3.39Å; K13-E42 IonicContact NZ-OE1 2.87Å; K13-E42 PolarHBondContact NZ-OE1 3.46Å; K13-E42 IonicContact NZ-OE2 3.64Å; K13-L46 HydrophobicContact CG-CD1 4.31Å; K13-L46 HydrophobicContact CG-CD2 4.22Å |
| 14 | L | 98.5 | Very high | 97.4 | Very high | 98 Ų | 98 | 70.5 Ų | 70.5 | 51% | 0.513 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.9 | -41.8 | 174.1 | -72.5 | 172.4 | 0 | 0 | 0 | 111.3 | V10 L11 E16 Q17 A18 | V10-L14 HydrophobicContact CG1-CD1 4.17Å; V10-L14 WeakPolarHBondContact O-CG 3.38Å; V10-L14 PolarHBondContact O-N 2.86Å; L11-L14 PolarHBondContact O-N 3.33Å; L14-E16 VanDerWaalsContact C-N 3.34Å; L14-Q17 PolarHBondContact O-N 2.94Å; L14-A18 WeakPolarHBondContact O-CB 3.28Å; L14-A18 PolarHBondContact O-N 3.17Å |
| 15 | C | 98.6 | Very high | 97.7 | Very high | 9 Ų | 9 | 68.1 Ų | 68.1 | 6% | 0.061 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.6 | -40.4 | 175.6 | -73.5 | 0 | 0 | 0 | 0 | 111.9 | L11 A12 A18 E19 R20 E23 M24 | L11-C15 WeakPolarHBondContact O-CB 3.37Å; L11-C15 PolarHBondContact O-N 3.01Å; L11-C15 PolarHBondContact O-SG 2.98Å; A12-C15 WeakPolarHBondContact O-CB 3.46Å; A12-C15 PolarHBondContact O-N 3.08Å; C15-A18 CarbonylContact O-C 3.52Å; C15-A18 PolarHBondContact O-N 3.36Å; C15-E19 PolarHBondContact O-N 3.1Å; C15-R20 HydrophobicContact CB-CB 4.17Å; C15-R20 WeakPolarHBondContact CB-O 3.31Å; C15-R20 PolarHBondContact O-N 3.33Å; C15-E23 VanDerWaalsContact SG-CB 3.59Å; C15-M24 HydrophobicContact CB-CB 3.7Å; C15-M24 HydrophobicContact CB-CG 4.12Å |
| 16 | E | 98.2 | Very high | 97.9 | Very high | 73 Ų | 73 | 72.9 Ų | 72.9 | 34% | 0.341 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.6 | -48.9 | 175 | -176.6 | 177.6 | -165.7 | 0 | 0 | 111.6 | A12 K13 L14 A18 E19 M24 L46 V49 | A12-E16 PolarHBondContact O-N 3.06Å; K13-E16 PolarHBondContact O-N 3.08Å; L14-E16 VanDerWaalsContact C-N 3.34Å; E16-A18 VanDerWaalsContact C-N 3.25Å; E16-A18 PolarHBondContact O-N 3.09Å; E16-E19 PolarHBondContact O-N 3.43Å; E16-E19 VanDerWaalsContact O-N 3.15Å; E16-M24 HydrophobicContact CB-CE 3.91Å; E16-M24 HydrophobicContact CB-SD 4.05Å; E16-M24 HydrophobicContact CG-CE 4.41Å; E16-L46 WeakPolarHBondContact OE2-CD2 3.42Å; E16-V49 HydrophobicContact CG-CG1 4.32Å |
| 17 | Q | 97.8 | Very high | 98 | Very high | 161 Ų | 161 | 67.7 Ų | 67.7 | 75% | 0.752 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -64.5 | -29.6 | 178.4 | -68.8 | 174.7 | 31.2 | 0 | 0 | 113.2 | K13 L14 | K13-Q17 WeakPolarHBondContact O-CG 3.2Å; K13-Q17 PolarHBondContact O-N 3.06Å; K13-Q17 VanDerWaalsContact O-N 3.14Å; L14-Q17 PolarHBondContact O-N 2.94Å |
| 18 | A | 98.1 | Very high | 98.1 | Very high | 63 Ų | 63 | 59.6 Ų | 59.6 | 52% | 0.521 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | 3.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L14 C15 E16 R20 | L14-A18 WeakPolarHBondContact O-CB 3.28Å; L14-A18 PolarHBondContact O-N 3.17Å; C15-A18 CarbonylContact O-C 3.52Å; C15-A18 PolarHBondContact O-N 3.36Å; E16-A18 VanDerWaalsContact C-N 3.25Å; E16-A18 PolarHBondContact O-N 3.09Å; A18-R20 HydrophobicContact CB-CB 4.47Å; A18-R20 HydrophobicContact CB-CG 3.9Å; A18-R20 PolarHBondContact O-N 2.93Å; A18-R20 VanDerWaalsContact O-N 3.16Å |
| 19 | E | 97.8 | Very high | 98.1 | Very high | 145 Ų | 145 | 61.1 Ų | 61.1 | 68% | 0.678 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 30.1 | -175 | -55.8 | -175.1 | 158.7 | 0 | 0 | 113.7 | C15 E16 Y21 | C15-E19 PolarHBondContact O-N 3.1Å; E16-E19 PolarHBondContact O-N 3.43Å; E16-E19 VanDerWaalsContact O-N 3.15Å; E19-Y21 HydrophobicContact CB-CE2 3.94Å; E19-Y21 HydrophobicContact CG-CE2 4.46Å; E19-Y21 PolarHBondContact O-N 2.92Å |
| 20 | R | 98.3 | Very high | 98.1 | Very high | 135 Ų | 135 | 64.8 Ų | 64.8 | 51% | 0.509 | 32% | 0.318 | S | S | . | . | trans | -93.5 | 61.8 | -179.9 | -69.8 | -66.3 | -62.7 | -98 | 3.7 | 111.3 | C15 A18 D22 E23 M24 | C15-R20 HydrophobicContact CB-CB 4.17Å; C15-R20 WeakPolarHBondContact CB-O 3.31Å; C15-R20 PolarHBondContact O-N 3.33Å; A18-R20 HydrophobicContact CB-CB 4.47Å; A18-R20 HydrophobicContact CB-CG 3.9Å; A18-R20 PolarHBondContact O-N 2.93Å; A18-R20 VanDerWaalsContact O-N 3.16Å; R20-D22 VanDerWaalsContact C-N 3.35Å; R20-D22 PolarHBondContact O-N 3.45Å; R20-E23 WeakPolarHBondContact CB-OE2 3.36Å; R20-E23 IonicContact CZ-OE1 2.84Å; R20-E23 IonicContact CZ-OE2 3.21Å; R20-E23 IonicContact NE-OE1 3.36Å; R20-E23 IonicContact NE-OE2 3.37Å; R20-E23 PolarHBondContact NE-OE2 3.31Å; R20-E23 IonicContact NH2-OE1 3.04Å; R20-E23 PolarHBondContact NH2-OE1 2.87Å; R20-E23 IonicContact NH2-OE2 3.98Å; R20-E23 PolarHBondContact NH2-OE2 2.65Å; R20-E23 PolarHBondContact O-N 3.19Å; R20-M24 PolarHBondContact O-N 2.98Å | ||
| 21 | Y | 98.4 | Very high | 98 | Very high | 46 Ų | 46 | 61.1 Ų | 61.1 | 18% | 0.18 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -69 | -27.5 | -169.6 | -56.5 | -68 | 0 | 0 | 0 | 114.6 | E19 M24 V25 V49 N53 | E19-Y21 HydrophobicContact CB-CE2 3.94Å; E19-Y21 HydrophobicContact CG-CE2 4.46Å; E19-Y21 PolarHBondContact O-N 2.92Å; Y21-M24 HydrophobicContact CD1-SD 3.95Å; Y21-M24 HydrophobicContact CE1-SD 4.45Å; Y21-M24 WeakPolarHBondContact O-CB 3.41Å; Y21-M24 PolarHBondContact O-N 2.8Å; Y21-V25 WeakPolarHBondContact O-CG2 3.45Å; Y21-V25 PolarHBondContact O-N 3.18Å; Y21-V49 HydrophobicContact CE1-CG1 4.23Å; Y21-N53 HydrophobicContact CD1-CB 3.7Å; Y21-N53 HydrophobicContact CD2-CB 3.35Å; Y21-N53 HydrophobicContact CE1-CB 3.9Å; Y21-N53 WeakPolarHBondContact CE1-ND2 3.47Å; Y21-N53 HydrophobicContact CE2-CB 3.54Å; Y21-N53 HydrophobicContact CG-CB 3.41Å; Y21-N53 VanDerWaalsContact CG-CB 3.41Å; Y21-N53 VanDerWaalsContact CZ-CG 3.42Å |
| 22 | D | 97.8 | Very high | 97.9 | Very high | 70 Ų | 70 | 57.9 Ų | 57.9 | 37% | 0.374 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.9 | -39.8 | 175.1 | -68.7 | -64.3 | 0 | 0 | 0 | 111.6 | R20 K26 R58 | R20-D22 VanDerWaalsContact C-N 3.35Å; R20-D22 PolarHBondContact O-N 3.45Å; D22-K26 WeakPolarHBondContact O-CG 3.47Å; D22-K26 PolarHBondContact O-N 3.27Å; D22-R58 IonicContact OD1-NH1 3.84Å; D22-R58 IonicContact OD2-NH1 3.71Å |
| 23 | E | 98.2 | Very high | 97.8 | Very high | 57 Ų | 57 | 60.8 Ų | 60.8 | 27% | 0.266 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -71.3 | -37.3 | 171.7 | -69.9 | 74.1 | -162.4 | 0 | 0 | 112.2 | C15 R20 V25 K26 A27 | C15-E23 VanDerWaalsContact SG-CB 3.59Å; R20-E23 WeakPolarHBondContact CB-OE2 3.36Å; R20-E23 IonicContact CZ-OE1 2.84Å; R20-E23 IonicContact CZ-OE2 3.21Å; R20-E23 IonicContact NE-OE1 3.36Å; R20-E23 IonicContact NE-OE2 3.37Å; R20-E23 PolarHBondContact NE-OE2 3.31Å; R20-E23 IonicContact NH2-OE1 3.04Å; R20-E23 PolarHBondContact NH2-OE1 2.87Å; R20-E23 IonicContact NH2-OE2 3.98Å; R20-E23 PolarHBondContact NH2-OE2 2.65Å; R20-E23 PolarHBondContact O-N 3.19Å; E23-V25 VanDerWaalsContact C-N 3.31Å; E23-V25 PolarHBondContact O-N 3.47Å; E23-K26 PolarHBondContact O-N 3.36Å; E23-A27 PolarHBondContact O-N 3.36Å |
| 24 | M | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.9 | -44.9 | 174.5 | -161.4 | -175.4 | 179.4 | 0 | 0 | 110.9 | A12 C15 E16 R20 Y21 K26 A27 M28 L46 V49 A50 | A12-M24 HydrophobicContact CB-CE 4.48Å; A12-M24 HydrophobicContact CB-CG 4.06Å; C15-M24 HydrophobicContact CB-CB 3.7Å; C15-M24 HydrophobicContact CB-CG 4.12Å; E16-M24 HydrophobicContact CB-CE 3.91Å; E16-M24 HydrophobicContact CB-SD 4.05Å; E16-M24 HydrophobicContact CG-CE 4.41Å; R20-M24 PolarHBondContact O-N 2.98Å; Y21-M24 HydrophobicContact CD1-SD 3.95Å; Y21-M24 HydrophobicContact CE1-SD 4.45Å; Y21-M24 WeakPolarHBondContact O-CB 3.41Å; Y21-M24 PolarHBondContact O-N 2.8Å; M24-K26 VanDerWaalsContact C-N 3.35Å; M24-K26 PolarHBondContact O-N 3.24Å; M24-A27 PolarHBondContact O-N 3.4Å; M24-M28 WeakPolarHBondContact O-CB 3.22Å; M24-M28 VanDerWaalsContact O-CG 3.28Å; M24-M28 WeakPolarHBondContact O-CG 3.44Å; M24-M28 PolarHBondContact O-N 3.27Å; M24-L46 HydrophobicContact CE-CB 3.91Å; M24-L46 HydrophobicContact CE-CD2 3.52Å; M24-L46 HydrophobicContact CE-CG 4.33Å; M24-L46 VanDerWaalsContact CE-O 3.29Å; M24-L46 WeakPolarHBondContact CE-O 3.43Å; M24-V49 HydrophobicContact CE-CB 4.33Å; M24-V49 HydrophobicContact CE-CG1 4.22Å; M24-V49 HydrophobicContact SD-CG1 4.38Å; M24-A50 HydrophobicContact CB-CB 3.85Å; M24-A50 HydrophobicContact CE-CB 4.3Å; M24-A50 HydrophobicContact CG-CB 3.61Å; M24-A50 HydrophobicContact SD-CB 3.59Å; M24-A50 VanDerWaalsContact SD-CB 3.59Å |
| 25 | V | 98.5 | Very high | 97.2 | Very high | 15 Ų | 15 | 57.9 Ų | 57.9 | 9% | 0.091 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.3 | -45.8 | 175.9 | 164.4 | 0 | 0 | 0 | 0 | 111 | Y21 E23 A27 M28 I29 A50 Y51 V54 | Y21-V25 WeakPolarHBondContact O-CG2 3.45Å; Y21-V25 PolarHBondContact O-N 3.18Å; E23-V25 VanDerWaalsContact C-N 3.31Å; E23-V25 PolarHBondContact O-N 3.47Å; V25-A27 PolarHBondContact O-N 3Å; V25-M28 PolarHBondContact O-N 3.43Å; V25-I29 HydrophobicContact CG1-CD1 3.66Å; V25-I29 HydrophobicContact CG1-CG1 4.25Å; V25-I29 VanDerWaalsContact O-CG1 3.26Å; V25-I29 WeakPolarHBondContact O-CG1 3.43Å; V25-I29 PolarHBondContact O-N 2.85Å; V25-A50 HydrophobicContact CG2-CB 3.75Å; V25-Y51 HydrophobicContact CB-CE2 4.45Å; V25-Y51 HydrophobicContact CG1-CD1 4.47Å; V25-Y51 HydrophobicContact CG1-CD2 4.36Å; V25-Y51 HydrophobicContact CG1-CE1 3.87Å; V25-Y51 HydrophobicContact CG1-CE2 3.74Å; V25-Y51 VanDerWaalsContact CG1-CZ 3.49Å; V25-Y51 HydrophobicContact CG2-CD1 4.16Å; V25-Y51 HydrophobicContact CG2-CD2 3.95Å; V25-Y51 HydrophobicContact CG2-CE1 4.37Å; V25-Y51 HydrophobicContact CG2-CE2 4.17Å; V25-Y51 HydrophobicContact CG2-CG 3.96Å; V25-V54 HydrophobicContact CG2-CG2 3.91Å |
| 26 | K | 98.1 | Very high | 96.8 | Very high | 130 Ų | 130 | 66.5 Ų | 66.5 | 57% | 0.565 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -60.2 | -47.2 | 178.3 | -67.9 | 169.2 | -174.1 | 169.3 | 0 | 111.7 | D22 E23 M24 M28 I29 E30 | D22-K26 WeakPolarHBondContact O-CG 3.47Å; D22-K26 PolarHBondContact O-N 3.27Å; E23-K26 PolarHBondContact O-N 3.36Å; M24-K26 VanDerWaalsContact C-N 3.35Å; M24-K26 PolarHBondContact O-N 3.24Å; K26-M28 VanDerWaalsContact C-N 3.31Å; K26-M28 PolarHBondContact O-N 3.34Å; K26-I29 PolarHBondContact O-N 3.47Å; K26-E30 WeakPolarHBondContact O-CG 3.37Å; K26-E30 PolarHBondContact O-N 3.4Å; K26-E30 VanDerWaalsContact O-N 3.07Å |
| 27 | A | 97.9 | Very high | 96.5 | Very high | 4 Ų | 4 | 66.8 Ų | 66.8 | 3% | 0.033 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.8 | -40.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | N8 L11 A12 E23 M24 V25 E30 I31 | N8-A27 HydrophobicContact CB-CB 4.39Å; L11-A27 HydrophobicContact CD2-CB 4.1Å; L11-A27 HydrophobicContact CG-CB 4.29Å; A12-A27 HydrophobicContact CB-CB 4.44Å; E23-A27 PolarHBondContact O-N 3.36Å; M24-A27 PolarHBondContact O-N 3.4Å; V25-A27 PolarHBondContact O-N 3Å; A27-E30 PolarHBondContact O-N 3.41Å; A27-I31 WeakPolarHBondContact O-CG1 3.41Å; A27-I31 PolarHBondContact O-N 3.15Å; A27-I31 VanDerWaalsContact O-N 3.14Å |
| 28 | M | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -73.9 | -31.4 | 179.5 | -65.5 | -51.1 | -50.8 | 0 | 0 | 113.3 | A12 M24 V25 K26 I31 A32 E43 L46 L47 | A12-M28 HydrophobicContact CB-CG 4.27Å; A12-M28 HydrophobicContact CB-SD 3.64Å; M24-M28 WeakPolarHBondContact O-CB 3.22Å; M24-M28 VanDerWaalsContact O-CG 3.28Å; M24-M28 WeakPolarHBondContact O-CG 3.44Å; M24-M28 PolarHBondContact O-N 3.27Å; V25-M28 PolarHBondContact O-N 3.43Å; K26-M28 VanDerWaalsContact C-N 3.31Å; K26-M28 PolarHBondContact O-N 3.34Å; M28-I31 HydrophobicContact CE-CD1 3.93Å; M28-I31 PolarHBondContact O-N 3.36Å; M28-I31 HydrophobicContact SD-CD1 3.77Å; M28-A32 WeakPolarHBondContact O-CB 3.37Å; M28-A32 PolarHBondContact O-N 3.29Å; M28-E43 HydrophobicContact CE-CB 4.23Å; M28-E43 WeakPolarHBondContact CE-O 3.48Å; M28-L46 HydrophobicContact CE-CB 4.08Å; M28-L46 HydrophobicContact SD-CB 3.77Å; M28-L46 HydrophobicContact SD-CD1 4.49Å; M28-L47 HydrophobicContact CB-CB 4.35Å; M28-L47 HydrophobicContact CB-CD1 3.66Å; M28-L47 HydrophobicContact CE-CB 4.04Å |
| 29 | I | 97.6 | Very high | 96.2 | Very high | 43 Ų | 43 | 59.2 Ų | 59.2 | 22% | 0.221 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.7 | -49.8 | 169.4 | -71.1 | 165 | 0 | 0 | 0 | 109.3 | V25 K26 I31 A32 T33 Y51 L104 | V25-I29 HydrophobicContact CG1-CD1 3.66Å; V25-I29 HydrophobicContact CG1-CG1 4.25Å; V25-I29 VanDerWaalsContact O-CG1 3.26Å; V25-I29 WeakPolarHBondContact O-CG1 3.43Å; V25-I29 PolarHBondContact O-N 2.85Å; K26-I29 PolarHBondContact O-N 3.47Å; I29-I31 VanDerWaalsContact C-N 3.28Å; I29-I31 PolarHBondContact O-N 3.01Å; I29-A32 PolarHBondContact O-N 2.94Å; I29-A32 VanDerWaalsContact O-N 3.08Å; I29-T33 HydrophobicContact CG2-CG2 4.04Å; I29-T33 WeakPolarHBondContact O-CG2 3.29Å; I29-T33 PolarHBondContact O-N 3.29Å; I29-T33 PolarHBondContact O-OG1 3.15Å; I29-Y51 WeakPolarHBondContact CD1-OH 3.17Å; I29-Y51 HydrophobicContact CG1-CE2 4.48Å; I29-L104 HydrophobicContact CG1-CD2 4.19Å |
| 30 | E | 96.7 | Very high | 96.2 | Very high | 92 Ų | 92 | 55.4 Ų | 55.4 | 43% | 0.43 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58 | -39.3 | 179.5 | -71.4 | -63.6 | 160.9 | 0 | 0 | 112.5 | N8 K26 A27 T33 N34 | N8-E30 WeakPolarHBondContact ND2-CB 3.47Å; K26-E30 WeakPolarHBondContact O-CG 3.37Å; K26-E30 PolarHBondContact O-N 3.4Å; K26-E30 VanDerWaalsContact O-N 3.07Å; A27-E30 PolarHBondContact O-N 3.41Å; E30-T33 PolarHBondContact O-OG1 3.46Å; E30-N34 VanDerWaalsContact O-CB 3.31Å; E30-N34 WeakPolarHBondContact O-CB 3.2Å; E30-N34 PolarHBondContact O-N 3.07Å; E30-N34 VanDerWaalsContact O-N 3.17Å; E30-N34 PolarHBondContact O-ND2 3.4Å; E30-N34 PolarHBondContact OE2-ND2 3.23Å |
| 31 | I | 96.4 | Very high | 96 | Very high | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.7 | -55.2 | 172.8 | -66.5 | 164.6 | 0 | 0 | 0 | 109.8 | R5 N8 I9 A27 M28 I29 T33 N34 T35 L39 | R5-I31 HydrophobicContact CG-CG2 4.22Å; N8-I31 HydrophobicContact CB-CD1 3.64Å; N8-I31 HydrophobicContact CB-CG1 3.52Å; I9-I31 HydrophobicContact CG1-CD1 3.77Å; A27-I31 WeakPolarHBondContact O-CG1 3.41Å; A27-I31 PolarHBondContact O-N 3.15Å; A27-I31 VanDerWaalsContact O-N 3.14Å; M28-I31 HydrophobicContact CE-CD1 3.93Å; M28-I31 PolarHBondContact O-N 3.36Å; M28-I31 HydrophobicContact SD-CD1 3.77Å; I29-I31 VanDerWaalsContact C-N 3.28Å; I29-I31 PolarHBondContact O-N 3.01Å; I31-T33 VanDerWaalsContact C-N 3.3Å; I31-T33 PolarHBondContact O-N 3.25Å; I31-N34 PolarHBondContact O-N 2.87Å; I31-T35 HydrophobicContact CG2-CG2 4.12Å; I31-T35 WeakPolarHBondContact O-CB 3.36Å; I31-T35 VanDerWaalsContact O-CG2 3.22Å; I31-T35 WeakPolarHBondContact O-CG2 3.33Å; I31-T35 PolarHBondContact O-N 2.68Å; I31-T35 VanDerWaalsContact O-N 3.1Å; I31-T35 PolarHBondContact O-OG1 2.86Å; I31-L39 HydrophobicContact CG2-CD2 3.74Å |
| 32 | A | 96.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.1 | -32.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | M28 I29 L104 L109 K112 | M28-A32 WeakPolarHBondContact O-CB 3.37Å; M28-A32 PolarHBondContact O-N 3.29Å; I29-A32 PolarHBondContact O-N 2.94Å; I29-A32 VanDerWaalsContact O-N 3.08Å; A32-L104 HydrophobicContact CB-CD1 3.77Å; A32-L104 HydrophobicContact CB-CD2 3.93Å; A32-L104 HydrophobicContact CB-CG 4.07Å; A32-L109 HydrophobicContact CB-CD2 3.73Å; A32-L109 HydrophobicContact CB-CG 4.33Å; A32-K112 PolarHBondContact O-NZ 3.24Å |
| 33 | T | 95.5 | Very high | 95.9 | Very high | 62 Ų | 62 | 51.8 Ų | 51.8 | 38% | 0.38 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -81.7 | -37 | 179.5 | 54 | 0 | 0 | 0 | 0 | 112.8 | I29 E30 I31 L104 | I29-T33 HydrophobicContact CG2-CG2 4.04Å; I29-T33 WeakPolarHBondContact O-CG2 3.29Å; I29-T33 PolarHBondContact O-N 3.29Å; I29-T33 PolarHBondContact O-OG1 3.15Å; E30-T33 PolarHBondContact O-OG1 3.46Å; I31-T33 VanDerWaalsContact C-N 3.3Å; I31-T33 PolarHBondContact O-N 3.25Å; T33-L104 HydrophobicContact CG2-CD1 3.79Å |
| 34 | N | 93.8 | Very high | 95.8 | Very high | 94 Ų | 94 | 49.5 Ų | 49.5 | 50% | 0.503 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -97.6 | -1.7 | -172.5 | -61.3 | -72.9 | 0 | 0 | 0 | 114.3 | E30 I31 | E30-N34 VanDerWaalsContact O-CB 3.31Å; E30-N34 WeakPolarHBondContact O-CB 3.2Å; E30-N34 PolarHBondContact O-N 3.07Å; E30-N34 VanDerWaalsContact O-N 3.17Å; E30-N34 PolarHBondContact O-ND2 3.4Å; E30-N34 PolarHBondContact OE2-ND2 3.23Å; I31-N34 PolarHBondContact O-N 2.87Å |
| 35 | T | 90.6 | Very high | 95.7 | Very high | 15 Ų | 15 | 53 Ų | 53 | 9% | 0.092 | 27% | 0.274 | C | S | . | . | trans | -98.5 | 131.2 | 174.1 | 61.5 | 0 | 0 | 0 | 0 | 111.9 | R5 I31 T37 K112 | R5-T35 HydrophobicContact CG-CG2 4.05Å; I31-T35 HydrophobicContact CG2-CG2 4.12Å; I31-T35 WeakPolarHBondContact O-CB 3.36Å; I31-T35 VanDerWaalsContact O-CG2 3.22Å; I31-T35 WeakPolarHBondContact O-CG2 3.33Å; I31-T35 PolarHBondContact O-N 2.68Å; I31-T35 VanDerWaalsContact O-N 3.1Å; I31-T35 PolarHBondContact O-OG1 2.86Å; T35-T37 VanDerWaalsContact C-N 3.33Å; T35-K112 WeakPolarHBondContact O-CE 3.39Å; T35-K112 PolarHBondContact O-NZ 3.48Å | ||
| 36 | E | 89.3 | Confident | 95.7 | Very high | 190 Ų | 190 | 52.8 Ų | 52.8 | 89% | 0.888 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -76.6 | -22.3 | 175.4 | -63.5 | -176.7 | 168.4 | 0 | 0 | 113 | ||
| 37 | T | 92.4 | Very high | 95.7 | Very high | 79 Ų | 79 | 46.6 Ų | 46.6 | 49% | 0.485 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -90 | 162.7 | -178.1 | 68.8 | 0 | 0 | 0 | 0 | 112.4 | R5 T35 | R5-T37 PolarHBondContact NH1-OG1 3.34Å; T35-T37 VanDerWaalsContact C-N 3.33Å |
| 38 | E | 94.8 | Very high | 95.8 | Very high | 48 Ų | 48 | 48.1 Ų | 48.1 | 22% | 0.224 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -51.9 | 149.1 | 163.5 | -164.9 | 175.7 | 171.7 | 0 | 0 | 111.2 | K112 V114 S115 S118 | E38-K112 WeakPolarHBondContact CB-O 3.16Å; E38-V114 WeakPolarHBondContact OE2-CB 3.37Å; E38-V114 PolarHBondContact OE2-N 3.45Å; E38-S115 PolarHBondContact OE1-OG 2.81Å; E38-S115 PolarHBondContact OE2-N 2.85Å; E38-S118 WeakPolarHBondContact OE1-CB 3.32Å; E38-S118 PolarHBondContact OE1-OG 2.93Å |
| 39 | L | 96.3 | Very high | 95.8 | Very high | 17 Ų | 17 | 50.1 Ų | 50.1 | 9% | 0.089 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 144.1 | 170.4 | -64.4 | -172.4 | 0 | 0 | 0 | 110.2 | I31 E43 R44 L47 L109 | I31-L39 HydrophobicContact CG2-CD2 3.74Å; L39-E43 WeakPolarHBondContact CA-OE2 3.35Å; L39-E43 HydrophobicContact CB-CB 4.07Å; L39-E43 HydrophobicContact CD2-CB 4.29Å; L39-R44 HydrophobicContact CB-CB 4.37Å; L39-L47 HydrophobicContact CD1-CD2 4.16Å; L39-L109 HydrophobicContact CD1-CD2 3.54Å; L39-L109 HydrophobicContact CG-CD2 3.8Å |
| 40 | T | 96 | Very high | 95.8 | Very high | 65 Ų | 65 | 48 Ų | 48 | 40% | 0.399 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 165 | 168.9 | 71.3 | 0 | 0 | 0 | 0 | 110.4 | E42 E43 R44 | T40-E42 PolarHBondContact O-N 2.69Å; T40-E43 PolarHBondContact N-OE2 2.85Å; T40-E43 PolarHBondContact O-N 3.28Å; T40-E43 WeakPolarHBondContact OG1-CG 3.36Å; T40-E43 PolarHBondContact OG1-N 3.27Å; T40-E43 PolarHBondContact OG1-OE2 3.34Å; T40-R44 VanDerWaalsContact O-CB 3.26Å; T40-R44 WeakPolarHBondContact O-CB 3.39Å; T40-R44 PolarHBondContact O-N 3.39Å |
| 41 | V | 95.2 | Very high | 95.9 | Very high | 76 Ų | 76 | 43.8 Ų | 43.8 | 46% | 0.461 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -55.5 | -42.8 | 174.9 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | N45 | V41-N45 WeakPolarHBondContact O-CB 3.43Å; V41-N45 PolarHBondContact O-N 3.48Å; V41-N45 PolarHBondContact O-ND2 3.05Å; V41-N45 PolarHBondContact O-OD1 2.98Å |
| 42 | E | 96.2 | Very high | 96 | Very high | 97 Ų | 97 | 50.4 Ų | 50.4 | 45% | 0.453 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.6 | -49.5 | 178.1 | -177.6 | 176.8 | -148.4 | 0 | 0 | 111.7 | K13 T40 R44 N45 L46 | K13-E42 WeakPolarHBondContact CE-OE1 3.39Å; K13-E42 IonicContact NZ-OE1 2.87Å; K13-E42 PolarHBondContact NZ-OE1 3.46Å; K13-E42 IonicContact NZ-OE2 3.64Å; T40-E42 PolarHBondContact O-N 2.69Å; E42-R44 PolarHBondContact O-N 2.99Å; E42-N45 PolarHBondContact O-N 2.81Å; E42-L46 HydrophobicContact CG-CD1 4.28Å; E42-L46 WeakPolarHBondContact O-CG 3.02Å; E42-L46 PolarHBondContact O-N 3.16Å |
| 43 | E | 97.2 | Very high | 96.1 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64 | -41.4 | -179.9 | -69 | 165.8 | 159.3 | 0 | 0 | 112 | R5 I9 M28 L39 T40 N45 L46 L47 | R5-E43 IonicContact CZ-OE1 3.55Å; R5-E43 VanDerWaalsContact CZ-OE1 3.28Å; R5-E43 IonicContact CZ-OE2 3.34Å; R5-E43 IonicContact NE-OE1 3.46Å; R5-E43 PolarHBondContact NE-OE1 3.25Å; R5-E43 IonicContact NE-OE2 2.81Å; R5-E43 VanDerWaalsContact NH2-CD 3.26Å; R5-E43 IonicContact NH2-OE1 3.87Å; R5-E43 PolarHBondContact NH2-OE1 3.48Å; R5-E43 IonicContact NH2-OE2 3.75Å; R5-E43 PolarHBondContact NH2-OE2 3.39Å; I9-E43 HydrophobicContact CD1-CG 4.12Å; I9-E43 WeakPolarHBondContact CD1-OE1 3.45Å; I9-E43 HydrophobicContact CG1-CG 4.25Å; M28-E43 HydrophobicContact CE-CB 4.23Å; M28-E43 WeakPolarHBondContact CE-O 3.48Å; L39-E43 WeakPolarHBondContact CA-OE2 3.35Å; L39-E43 HydrophobicContact CB-CB 4.07Å; L39-E43 HydrophobicContact CD2-CB 4.29Å; T40-E43 PolarHBondContact N-OE2 2.85Å; T40-E43 PolarHBondContact O-N 3.28Å; T40-E43 WeakPolarHBondContact OG1-CG 3.36Å; T40-E43 PolarHBondContact OG1-N 3.27Å; T40-E43 PolarHBondContact OG1-OE2 3.34Å; E43-N45 VanDerWaalsContact C-N 3.29Å; E43-N45 PolarHBondContact O-N 3.45Å; E43-L46 PolarHBondContact O-N 3.04Å; E43-L47 WeakPolarHBondContact O-CB 3.42Å; E43-L47 PolarHBondContact O-N 2.99Å |
| 44 | R | 97.3 | Very high | 96.2 | Very high | 9 Ų | 9 | 50.6 Ų | 50.6 | 3% | 0.034 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.8 | -39.6 | 175.7 | -177.2 | -173.7 | 70.7 | -155.9 | -2.1 | 111.3 | L39 T40 E42 S48 S118 F121 | L39-R44 HydrophobicContact CB-CB 4.37Å; T40-R44 VanDerWaalsContact O-CB 3.26Å; T40-R44 WeakPolarHBondContact O-CB 3.39Å; T40-R44 PolarHBondContact O-N 3.39Å; E42-R44 PolarHBondContact O-N 2.99Å; R44-S48 WeakPolarHBondContact O-CB 3.24Å; R44-S48 PolarHBondContact O-N 3.01Å; R44-S48 VanDerWaalsContact O-N 3.07Å; R44-S118 PolarHBondContact NH1-OG 3.49Å; R44-F121 VanDerWaalsContact CD-CG 3.49Å; R44-F121 HydrophobicContact CG-CD1 3.45Å; R44-F121 VanDerWaalsContact CG-CD1 3.45Å; R44-F121 HydrophobicContact CG-CD2 4.41Å; R44-F121 HydrophobicContact CG-CE1 3.29Å; R44-F121 HydrophobicContact CG-CE2 4.26Å; R44-F121 HydrophobicContact CG-CG 4.02Å; R44-F121 HydrophobicContact CG-CZ 3.71Å |
| 45 | N | 96.5 | Very high | 96.4 | Very high | 74 Ų | 74 | 46.2 Ų | 46.2 | 40% | 0.396 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.9 | -44.4 | 175.4 | -71.6 | -12 | 0 | 0 | 0 | 111.4 | V41 E42 E43 L47 S48 V49 | V41-N45 WeakPolarHBondContact O-CB 3.43Å; V41-N45 PolarHBondContact O-N 3.48Å; V41-N45 PolarHBondContact O-ND2 3.05Å; V41-N45 PolarHBondContact O-OD1 2.98Å; E42-N45 PolarHBondContact O-N 2.81Å; E43-N45 VanDerWaalsContact C-N 3.29Å; E43-N45 PolarHBondContact O-N 3.45Å; N45-L47 PolarHBondContact O-N 3.34Å; N45-S48 WeakPolarHBondContact O-CB 3.47Å; N45-S48 PolarHBondContact O-N 3.02Å; N45-S48 VanDerWaalsContact O-N 3.17Å; N45-V49 WeakPolarHBondContact O-CG2 3.43Å; N45-V49 PolarHBondContact O-N 3.34Å |
| 46 | L | 98.4 | Very high | 96.8 | Very high | 11 Ų | 11 | 46.7 Ų | 46.7 | 6% | 0.058 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.7 | -45.8 | 175 | -70.6 | 170.2 | 0 | 0 | 0 | 111.7 | I9 A12 K13 E16 M24 M28 E42 E43 S48 V49 A50 | I9-L46 HydrophobicContact CG2-CD1 4.32Å; A12-L46 HydrophobicContact CB-CD1 4.44Å; K13-L46 HydrophobicContact CG-CD1 4.31Å; K13-L46 HydrophobicContact CG-CD2 4.22Å; E16-L46 WeakPolarHBondContact OE2-CD2 3.42Å; M24-L46 HydrophobicContact CE-CB 3.91Å; M24-L46 HydrophobicContact CE-CD2 3.52Å; M24-L46 HydrophobicContact CE-CG 4.33Å; M24-L46 VanDerWaalsContact CE-O 3.29Å; M24-L46 WeakPolarHBondContact CE-O 3.43Å; M28-L46 HydrophobicContact CE-CB 4.08Å; M28-L46 HydrophobicContact SD-CB 3.77Å; M28-L46 HydrophobicContact SD-CD1 4.49Å; E42-L46 HydrophobicContact CG-CD1 4.28Å; E42-L46 WeakPolarHBondContact O-CG 3.02Å; E42-L46 PolarHBondContact O-N 3.16Å; E43-L46 PolarHBondContact O-N 3.04Å; L46-S48 VanDerWaalsContact C-N 3.3Å; L46-S48 PolarHBondContact O-N 3.15Å; L46-V49 PolarHBondContact O-N 3.45Å; L46-A50 WeakPolarHBondContact O-CB 3.49Å; L46-A50 PolarHBondContact O-N 3.25Å |
| 47 | L | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.9 | -45.4 | 175 | 178.1 | 71.6 | 0 | 0 | 0 | 111.5 | M28 L39 E43 N45 A50 Y51 L104 L109 | M28-L47 HydrophobicContact CB-CB 4.35Å; M28-L47 HydrophobicContact CB-CD1 3.66Å; M28-L47 HydrophobicContact CE-CB 4.04Å; L39-L47 HydrophobicContact CD1-CD2 4.16Å; E43-L47 WeakPolarHBondContact O-CB 3.42Å; E43-L47 PolarHBondContact O-N 2.99Å; N45-L47 PolarHBondContact O-N 3.34Å; L47-A50 PolarHBondContact O-N 3.31Å; L47-Y51 HydrophobicContact CD1-CD2 3.66Å; L47-Y51 HydrophobicContact CD1-CE2 3.6Å; L47-Y51 HydrophobicContact CG-CD2 4.28Å; L47-Y51 PolarHBondContact O-N 3.4Å; L47-Y51 VanDerWaalsContact O-N 3.14Å; L47-L104 HydrophobicContact CD1-CD2 3.99Å; L47-L109 HydrophobicContact CD2-CD1 3.44Å; L47-L109 VanDerWaalsContact CD2-CD1 3.44Å |
| 48 | S | 98.1 | Very high | 97.5 | Very high | 36 Ų | 36 | 39.6 Ų | 39.6 | 25% | 0.252 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.8 | -46 | 179.4 | -178.3 | 0 | 0 | 0 | 0 | 112.2 | R44 N45 L46 A50 K52 | R44-S48 WeakPolarHBondContact O-CB 3.24Å; R44-S48 PolarHBondContact O-N 3.01Å; R44-S48 VanDerWaalsContact O-N 3.07Å; N45-S48 WeakPolarHBondContact O-CB 3.47Å; N45-S48 PolarHBondContact O-N 3.02Å; N45-S48 VanDerWaalsContact O-N 3.17Å; L46-S48 VanDerWaalsContact C-N 3.3Å; L46-S48 PolarHBondContact O-N 3.15Å; S48-A50 PolarHBondContact O-N 2.93Å; S48-K52 WeakPolarHBondContact O-CB 3.43Å; S48-K52 PolarHBondContact O-N 3.43Å |
| 49 | V | 98.3 | Very high | 97.6 | Very high | 41 Ų | 41 | 38.6 Ų | 38.6 | 25% | 0.248 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.3 | -46.6 | 176.3 | 169.5 | 0 | 0 | 0 | 0 | 110.8 | E16 Y21 M24 N45 L46 N53 | E16-V49 HydrophobicContact CG-CG1 4.32Å; Y21-V49 HydrophobicContact CE1-CG1 4.23Å; M24-V49 HydrophobicContact CE-CB 4.33Å; M24-V49 HydrophobicContact CE-CG1 4.22Å; M24-V49 HydrophobicContact SD-CG1 4.38Å; N45-V49 WeakPolarHBondContact O-CG2 3.43Å; N45-V49 PolarHBondContact O-N 3.34Å; L46-V49 PolarHBondContact O-N 3.45Å; V49-N53 PolarHBondContact O-N 2.7Å; V49-N53 VanDerWaalsContact O-N 3.14Å; V49-N53 PolarHBondContact O-ND2 3.35Å |
| 50 | A | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.9 | -59.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | M24 V25 L46 L47 S48 K52 N53 V54 | M24-A50 HydrophobicContact CB-CB 3.85Å; M24-A50 HydrophobicContact CE-CB 4.3Å; M24-A50 HydrophobicContact CG-CB 3.61Å; M24-A50 HydrophobicContact SD-CB 3.59Å; M24-A50 VanDerWaalsContact SD-CB 3.59Å; V25-A50 HydrophobicContact CG2-CB 3.75Å; L46-A50 WeakPolarHBondContact O-CB 3.49Å; L46-A50 PolarHBondContact O-N 3.25Å; L47-A50 PolarHBondContact O-N 3.31Å; S48-A50 PolarHBondContact O-N 2.93Å; A50-K52 PolarHBondContact O-N 3.43Å; A50-N53 PolarHBondContact O-N 3.23Å; A50-V54 WeakPolarHBondContact O-CG2 3.43Å; A50-V54 PolarHBondContact O-N 3.37Å |
| 51 | Y | 98.7 | Very high | 97.8 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.6 | -37.2 | -176.2 | -89.3 | -80.6 | 0 | 0 | 0 | 112.8 | V25 I29 L47 N53 V54 I55 I97 S100 I101 L104 Y129 | V25-Y51 HydrophobicContact CB-CE2 4.45Å; V25-Y51 HydrophobicContact CG1-CD1 4.47Å; V25-Y51 HydrophobicContact CG1-CD2 4.36Å; V25-Y51 HydrophobicContact CG1-CE1 3.87Å; V25-Y51 HydrophobicContact CG1-CE2 3.74Å; V25-Y51 VanDerWaalsContact CG1-CZ 3.49Å; V25-Y51 HydrophobicContact CG2-CD1 4.16Å; V25-Y51 HydrophobicContact CG2-CD2 3.95Å; V25-Y51 HydrophobicContact CG2-CE1 4.37Å; V25-Y51 HydrophobicContact CG2-CE2 4.17Å; V25-Y51 HydrophobicContact CG2-CG 3.96Å; I29-Y51 WeakPolarHBondContact CD1-OH 3.17Å; I29-Y51 HydrophobicContact CG1-CE2 4.48Å; L47-Y51 HydrophobicContact CD1-CD2 3.66Å; L47-Y51 HydrophobicContact CD1-CE2 3.6Å; L47-Y51 HydrophobicContact CG-CD2 4.28Å; L47-Y51 PolarHBondContact O-N 3.4Å; L47-Y51 VanDerWaalsContact O-N 3.14Å; Y51-N53 VanDerWaalsContact C-N 3.32Å; Y51-N53 PolarHBondContact O-N 2.95Å; Y51-V54 PolarHBondContact O-N 2.93Å; Y51-I55 VanDerWaalsContact O-CG2 3.32Å; Y51-I55 WeakPolarHBondContact O-CG2 3.39Å; Y51-I55 PolarHBondContact O-N 2.83Å; Y51-I97 HydrophobicContact CD1-CG2 4.1Å; Y51-I97 HydrophobicContact CE1-CG2 4.4Å; Y51-S100 PolarHBondContact OH-OG 3.39Å; Y51-I101 HydrophobicContact CD1-CB 3.85Å; Y51-I101 HydrophobicContact CD1-CG1 4.4Å; Y51-I101 HydrophobicContact CD1-CG2 4.4Å; Y51-I101 HydrophobicContact CD2-CD1 3.9Å; Y51-I101 HydrophobicContact CE1-CB 3.6Å; Y51-I101 HydrophobicContact CE1-CG1 4.45Å; Y51-I101 HydrophobicContact CE1-CG2 4.37Å; Y51-I101 HydrophobicContact CE2-CB 4.42Å; Y51-I101 HydrophobicContact CE2-CD1 3.81Å; Y51-I101 HydrophobicContact CG-CB 4.35Å; Y51-I101 HydrophobicContact CG-CD1 4.28Å; Y51-I101 HydrophobicContact CG-CG1 4.41Å; Y51-L104 HydrophobicContact CE2-CD2 4.45Å; Y51-Y129 VanDerWaalsContact C-OH 3.26Å; Y51-Y129 VanDerWaalsContact CB-OH 3.25Å; Y51-Y129 WeakPolarHBondContact CB-OH 3.38Å; Y51-Y129 PolarHBondContact O-OH 3.38Å |
| 52 | K | 98.1 | Very high | 98 | Very high | 141 Ų | 141 | 37.8 Ų | 37.8 | 61% | 0.613 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -59 | -42.9 | 177.7 | -179.9 | -176.2 | 175.9 | -172.4 | 0 | 111.7 | S48 A50 G56 | S48-K52 WeakPolarHBondContact O-CB 3.43Å; S48-K52 PolarHBondContact O-N 3.43Å; A50-K52 PolarHBondContact O-N 3.43Å; K52-G56 WeakPolarHBondContact O-CA 3.37Å; K52-G56 PolarHBondContact O-N 3.4Å |
| 53 | N | 98.3 | Very high | 98.1 | Very high | 60 Ų | 60 | 38 Ų | 38 | 32% | 0.321 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -71.3 | -45.2 | 179.8 | -78.5 | -70 | 0 | 0 | 0 | 111.9 | Y21 V49 A50 Y51 I55 G56 A57 | Y21-N53 HydrophobicContact CD1-CB 3.7Å; Y21-N53 HydrophobicContact CD2-CB 3.35Å; Y21-N53 HydrophobicContact CE1-CB 3.9Å; Y21-N53 WeakPolarHBondContact CE1-ND2 3.47Å; Y21-N53 HydrophobicContact CE2-CB 3.54Å; Y21-N53 HydrophobicContact CG-CB 3.41Å; Y21-N53 VanDerWaalsContact CG-CB 3.41Å; Y21-N53 VanDerWaalsContact CZ-CG 3.42Å; V49-N53 PolarHBondContact O-N 2.7Å; V49-N53 VanDerWaalsContact O-N 3.14Å; V49-N53 PolarHBondContact O-ND2 3.35Å; A50-N53 PolarHBondContact O-N 3.23Å; Y51-N53 VanDerWaalsContact C-N 3.32Å; Y51-N53 PolarHBondContact O-N 2.95Å; N53-I55 PolarHBondContact O-N 3.32Å; N53-G56 PolarHBondContact O-N 2.95Å; N53-A57 PolarHBondContact O-N 3.3Å; N53-A57 VanDerWaalsContact O-N 3.15Å |
| 54 | V | 98.2 | Very high | 98.1 | Very high | 7 Ų | 7 | 43.7 Ų | 43.7 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.9 | -50.7 | 177.6 | 174.3 | 0 | 0 | 0 | 0 | 111 | V25 A50 Y51 R58 I97 | V25-V54 HydrophobicContact CG2-CG2 3.91Å; A50-V54 WeakPolarHBondContact O-CG2 3.43Å; A50-V54 PolarHBondContact O-N 3.37Å; Y51-V54 PolarHBondContact O-N 2.93Å; V54-R58 WeakPolarHBondContact O-CD 3.39Å; V54-I97 HydrophobicContact CG1-CD1 3.68Å; V54-I97 HydrophobicContact CG1-CG1 3.95Å; V54-I97 HydrophobicContact CG1-CG2 4.35Å |
| 55 | I | 98.4 | Very high | 98.1 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -73.7 | -33.2 | -178.8 | -160.7 | 146.4 | 0 | 0 | 0 | 112.7 | Y51 N53 A57 R58 R59 L94 I97 C98 Y129 Y132 | Y51-I55 VanDerWaalsContact O-CG2 3.32Å; Y51-I55 WeakPolarHBondContact O-CG2 3.39Å; Y51-I55 PolarHBondContact O-N 2.83Å; N53-I55 PolarHBondContact O-N 3.32Å; I55-A57 VanDerWaalsContact C-N 3.32Å; I55-A57 PolarHBondContact O-N 3.28Å; I55-R58 PolarHBondContact O-N 2.96Å; I55-R59 HydrophobicContact CG1-CG 4.01Å; I55-R59 WeakPolarHBondContact O-CB 3.3Å; I55-R59 VanDerWaalsContact O-CG 3.3Å; I55-R59 WeakPolarHBondContact O-CG 3.42Å; I55-R59 PolarHBondContact O-N 3.21Å; I55-L94 HydrophobicContact CD1-CD2 4.23Å; I55-L94 HydrophobicContact CG1-CD2 3.83Å; I55-I97 HydrophobicContact CB-CG2 4.02Å; I55-I97 HydrophobicContact CD1-CB 4.34Å; I55-I97 HydrophobicContact CD1-CG2 3.93Å; I55-I97 HydrophobicContact CG1-CG2 4.34Å; I55-C98 WeakPolarHBondContact CD1-SG 3.48Å; I55-Y129 HydrophobicContact CB-CE1 4.13Å; I55-Y129 HydrophobicContact CD1-CD1 3.76Å; I55-Y129 HydrophobicContact CD1-CE1 3.58Å; I55-Y129 HydrophobicContact CG1-CE1 4.39Å; I55-Y129 HydrophobicContact CG2-CE1 3.87Å; I55-Y132 HydrophobicContact CD1-CD2 3.88Å; I55-Y132 HydrophobicContact CD1-CG 4.46Å; I55-Y132 HydrophobicContact CG1-CD2 4.32Å; I55-Y132 HydrophobicContact CG2-CD2 4.24Å; I55-Y132 HydrophobicContact CG2-CE2 4.04Å |
| 56 | G | 98.1 | Very high | 98.2 | Very high | 25 Ų | 25 | 43 Ų | 43 | 26% | 0.258 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.1 | -42.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | K52 N53 S60 | K52-G56 WeakPolarHBondContact O-CA 3.37Å; K52-G56 PolarHBondContact O-N 3.4Å; N53-G56 PolarHBondContact O-N 2.95Å; G56-S60 WeakPolarHBondContact O-CB 3.41Å; G56-S60 PolarHBondContact O-N 3.36Å; G56-S60 PolarHBondContact O-OG 3.21Å |
| 57 | A | 97.6 | Very high | 98.1 | Very high | 51 Ų | 51 | 45.4 Ų | 45.4 | 42% | 0.421 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.4 | -50.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | N53 I55 R59 S60 S61 | N53-A57 PolarHBondContact O-N 3.3Å; N53-A57 VanDerWaalsContact O-N 3.15Å; I55-A57 VanDerWaalsContact C-N 3.32Å; I55-A57 PolarHBondContact O-N 3.28Å; A57-R59 PolarHBondContact O-N 3.03Å; A57-S60 PolarHBondContact O-N 3.27Å; A57-S61 PolarHBondContact O-N 3.46Å; A57-S61 PolarHBondContact O-OG 2.81Å |
| 58 | R | 98.4 | Very high | 98 | Very high | 69 Ų | 69 | 48.8 Ų | 48.8 | 26% | 0.26 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.9 | -39.4 | -179.4 | -86.4 | 68.3 | -178.7 | -168 | -2.7 | 112.5 | D22 V54 I55 S60 S61 W62 E93 L94 I97 | D22-R58 IonicContact OD1-NH1 3.84Å; D22-R58 IonicContact OD2-NH1 3.71Å; V54-R58 WeakPolarHBondContact O-CD 3.39Å; I55-R58 PolarHBondContact O-N 2.96Å; R58-S60 VanDerWaalsContact C-N 3.33Å; R58-S60 PolarHBondContact O-N 2.88Å; R58-S61 PolarHBondContact O-N 2.82Å; R58-W62 WeakPolarHBondContact O-CB 3.47Å; R58-W62 PolarHBondContact O-N 2.76Å; R58-E93 HydrophobicContact CG-CB 4.11Å; R58-E93 WeakPolarHBondContact CG-OE2 3.35Å; R58-E93 IonicContact CZ-OE2 2.65Å; R58-E93 IonicContact NE-OE2 3.59Å; R58-E93 PolarHBondContact NE-OE2 3.4Å; R58-E93 IonicContact NH2-OE2 2.98Å; R58-L94 HydrophobicContact CB-CD2 3.5Å; R58-L94 HydrophobicContact CB-CG 3.96Å; R58-I97 HydrophobicContact CB-CD1 4.35Å; R58-I97 HydrophobicContact CG-CD1 3.99Å |
| 59 | R | 98.3 | Very high | 97.9 | Very high | 26 Ų | 26 | 47.9 Ų | 47.9 | 10% | 0.098 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.9 | -39.6 | 176.3 | -73.2 | 179.6 | 68.4 | -131.2 | 6.6 | 111.8 | I55 A57 W62 R63 L94 Y132 E135 | I55-R59 HydrophobicContact CG1-CG 4.01Å; I55-R59 WeakPolarHBondContact O-CB 3.3Å; I55-R59 VanDerWaalsContact O-CG 3.3Å; I55-R59 WeakPolarHBondContact O-CG 3.42Å; I55-R59 PolarHBondContact O-N 3.21Å; A57-R59 PolarHBondContact O-N 3.03Å; R59-W62 PolarHBondContact O-N 3.48Å; R59-R63 VanDerWaalsContact O-CG 3.29Å; R59-R63 WeakPolarHBondContact O-CG 3.5Å; R59-R63 PolarHBondContact O-N 3.15Å; R59-L94 HydrophobicContact CG-CD2 3.64Å; R59-Y132 VanDerWaalsContact CZ-CD1 3.4Å; R59-Y132 VanDerWaalsContact CZ-CE1 3.47Å; R59-Y132 VanDerWaalsContact NE-CD1 3.32Å; R59-E135 IonicContact CZ-OE2 3.93Å; R59-E135 IonicContact NE-OE2 3.24Å; R59-E135 PolarHBondContact NE-OE2 2.81Å; R59-E135 IonicContact NH2-OE1 3.64Å; R59-E135 PolarHBondContact NH2-OE1 3.07Å; R59-E135 IonicContact NH2-OE2 3.94Å; R59-E135 PolarHBondContact NH2-OE2 2.81Å |
| 60 | S | 98.2 | Very high | 97.7 | Very high | 63 Ų | 63 | 49.2 Ų | 49.2 | 44% | 0.441 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.8 | -46.3 | 176.2 | -57.5 | 0 | 0 | 0 | 0 | 111 | G56 A57 R58 W62 R63 I64 | G56-S60 WeakPolarHBondContact O-CB 3.41Å; G56-S60 PolarHBondContact O-N 3.36Å; G56-S60 PolarHBondContact O-OG 3.21Å; A57-S60 PolarHBondContact O-N 3.27Å; R58-S60 VanDerWaalsContact C-N 3.33Å; R58-S60 PolarHBondContact O-N 2.88Å; S60-W62 PolarHBondContact O-N 3.38Å; S60-R63 PolarHBondContact O-N 3.41Å; S60-I64 WeakPolarHBondContact O-CG1 3.39Å; S60-I64 PolarHBondContact O-N 3.14Å |
| 61 | S | 98.2 | Very high | 97.5 | Very high | 58 Ų | 58 | 53.5 Ų | 53.5 | 41% | 0.406 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.6 | -47.6 | 173.7 | -63.7 | 0 | 0 | 0 | 0 | 111.8 | A57 R58 R63 I64 I65 | A57-S61 PolarHBondContact O-N 3.46Å; A57-S61 PolarHBondContact O-OG 2.81Å; R58-S61 PolarHBondContact O-N 2.82Å; S61-R63 PolarHBondContact O-N 2.9Å; S61-I64 PolarHBondContact O-N 2.79Å; S61-I65 WeakPolarHBondContact O-CD1 3.25Å; S61-I65 VanDerWaalsContact O-CG1 3.22Å; S61-I65 WeakPolarHBondContact O-CG1 3.43Å; S61-I65 PolarHBondContact O-N 2.7Å |
| 62 | W | 98.5 | Very high | 97.3 | Very high | 21 Ų | 21 | 53.6 Ų | 53.6 | 8% | 0.08 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.1 | -44.6 | 179.7 | 179.7 | 84.1 | 0 | 0 | 0 | 112.3 | R58 R59 S60 I64 I65 N66 V90 E91 L94 E135 Y136 | R58-W62 WeakPolarHBondContact O-CB 3.47Å; R58-W62 PolarHBondContact O-N 2.76Å; R59-W62 PolarHBondContact O-N 3.48Å; S60-W62 PolarHBondContact O-N 3.38Å; W62-I64 VanDerWaalsContact C-N 3.35Å; W62-I64 PolarHBondContact O-N 3.41Å; W62-I65 PolarHBondContact O-N 3.14Å; W62-N66 HydrophobicContact CD2-CB 4.46Å; W62-N66 HydrophobicContact CH2-CB 4.47Å; W62-N66 HydrophobicContact CZ2-CB 4.25Å; W62-N66 WeakPolarHBondContact O-CB 3.23Å; W62-N66 PolarHBondContact O-N 3.5Å; W62-V90 HydrophobicContact CB-CG1 3.8Å; W62-E91 VanDerWaalsContact NE1-CG 3.32Å; W62-E91 PolarHBondContact NE1-OE1 3.33Å; W62-L94 HydrophobicContact CB-CD1 3.77Å; W62-L94 HydrophobicContact CG-CD1 3.89Å; W62-E135 HydrophobicContact CE3-CG 4.42Å; W62-E135 HydrophobicContact CH2-CG 4.16Å; W62-E135 WeakPolarHBondContact CH2-O 3.39Å; W62-E135 HydrophobicContact CZ3-CG 3.68Å; W62-Y136 VanDerWaalsContact CE2-CB 3.48Å |
| 63 | R | 98 | Very high | 97.1 | Very high | 100 Ų | 100 | 52.3 Ų | 52.3 | 38% | 0.377 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 178.4 | -73.4 | 167.7 | 178.2 | -173 | -17.5 | 112.6 | R59 S60 S61 S67 E135 | R59-R63 VanDerWaalsContact O-CG 3.29Å; R59-R63 WeakPolarHBondContact O-CG 3.5Å; R59-R63 PolarHBondContact O-N 3.15Å; S60-R63 PolarHBondContact O-N 3.41Å; S61-R63 PolarHBondContact O-N 2.9Å; R63-S67 WeakPolarHBondContact O-CB 3.4Å; R63-S67 PolarHBondContact O-N 3.43Å; R63-E135 IonicContact CZ-OE1 3.81Å; R63-E135 IonicContact NE-OE1 3.05Å; R63-E135 PolarHBondContact NE-OE1 2.98Å; R63-E135 IonicContact NH2-OE1 2.71Å; R63-E135 PolarHBondContact NH2-OE1 2.82Å; R63-E135 IonicContact NH2-OE2 3.28Å |
| 64 | I | 98.1 | Very high | 96.9 | Very high | 122 Ų | 122 | 53.8 Ų | 53.8 | 63% | 0.626 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -63.8 | -48.5 | 177.4 | -66.8 | 167.5 | 0 | 0 | 0 | 110.2 | S60 S61 W62 S67 K68 | S60-I64 WeakPolarHBondContact O-CG1 3.39Å; S60-I64 PolarHBondContact O-N 3.14Å; S61-I64 PolarHBondContact O-N 2.79Å; W62-I64 VanDerWaalsContact C-N 3.35Å; W62-I64 PolarHBondContact O-N 3.41Å; I64-S67 PolarHBondContact O-N 2.89Å; I64-K68 PolarHBondContact O-N 2.84Å |
| 65 | I | 97.8 | Very high | 96.7 | Very high | 15 Ų | 15 | 61 Ų | 61 | 8% | 0.077 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.7 | -42.6 | -178.3 | -61.1 | 159.5 | 0 | 0 | 0 | 110.6 | S61 W62 S67 K68 E69 T83 F86 R87 V90 | S61-I65 WeakPolarHBondContact O-CD1 3.25Å; S61-I65 VanDerWaalsContact O-CG1 3.22Å; S61-I65 WeakPolarHBondContact O-CG1 3.43Å; S61-I65 PolarHBondContact O-N 2.7Å; W62-I65 PolarHBondContact O-N 3.14Å; I65-S67 VanDerWaalsContact C-N 3.31Å; I65-S67 PolarHBondContact O-N 2.94Å; I65-K68 PolarHBondContact O-N 3.47Å; I65-E69 PolarHBondContact O-N 3.3Å; I65-T83 HydrophobicContact CG2-CG2 3.97Å; I65-F86 HydrophobicContact CD1-CD1 3.53Å; I65-F86 HydrophobicContact CD1-CE1 3.35Å; I65-F86 HydrophobicContact CD1-CG 4.27Å; I65-F86 HydrophobicContact CD1-CZ 3.96Å; I65-F86 HydrophobicContact CG1-CD1 3.95Å; I65-F86 HydrophobicContact CG1-CE1 3.95Å; I65-F86 HydrophobicContact CG2-CD1 4.43Å; I65-R87 HydrophobicContact CG2-CB 3.72Å; I65-R87 HydrophobicContact CG2-CG 4.43Å; I65-V90 HydrophobicContact CD1-CB 4.43Å; I65-V90 HydrophobicContact CD1-CG2 3.64Å |
| 66 | N | 96.8 | Very high | 96.4 | Very high | 54 Ų | 54 | 63.9 Ų | 63.9 | 29% | 0.289 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.7 | -40.1 | 176.9 | -171.7 | 71 | 0 | 0 | 0 | 111.5 | W62 E69 S70 | W62-N66 HydrophobicContact CD2-CB 4.46Å; W62-N66 HydrophobicContact CH2-CB 4.47Å; W62-N66 HydrophobicContact CZ2-CB 4.25Å; W62-N66 WeakPolarHBondContact O-CB 3.23Å; W62-N66 PolarHBondContact O-N 3.5Å; N66-E69 PolarHBondContact O-N 3.39Å; N66-S70 PolarHBondContact O-N 3.2Å; N66-S70 PolarHBondContact O-OG 3.19Å |
| 67 | S | 96.8 | Very high | 96.1 | Very high | 60 Ų | 60 | 64.2 Ų | 64.2 | 42% | 0.42 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 173 | -173.8 | 0 | 0 | 0 | 0 | 112.3 | R63 I64 I65 E69 S70 Q71 | R63-S67 WeakPolarHBondContact O-CB 3.4Å; R63-S67 PolarHBondContact O-N 3.43Å; I64-S67 PolarHBondContact O-N 2.89Å; I65-S67 VanDerWaalsContact C-N 3.31Å; I65-S67 PolarHBondContact O-N 2.94Å; S67-E69 VanDerWaalsContact C-N 3.32Å; S67-E69 PolarHBondContact O-N 2.88Å; S67-S70 PolarHBondContact O-N 3.37Å; S67-Q71 WeakPolarHBondContact O-CG 3.45Å; S67-Q71 PolarHBondContact O-N 3.14Å; S67-Q71 VanDerWaalsContact O-N 3.15Å |
| 68 | K | 96.2 | Very high | 95.8 | Very high | 72 Ų | 72 | 69.1 Ų | 69.1 | 31% | 0.313 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.3 | -39 | 175.6 | -179.7 | 58.9 | 161.3 | 75.4 | 0 | 111.7 | I64 I65 S70 Q71 D72 E79 T83 | I64-K68 PolarHBondContact O-N 2.84Å; I65-K68 PolarHBondContact O-N 3.47Å; K68-S70 PolarHBondContact O-N 3.15Å; K68-Q71 WeakPolarHBondContact O-CB 3.26Å; K68-Q71 PolarHBondContact O-N 3.43Å; K68-Q71 VanDerWaalsContact O-N 3.14Å; K68-D72 IonicContact NZ-OD1 2.79Å; K68-D72 PolarHBondContact NZ-OD1 2.87Å; K68-D72 IonicContact NZ-OD2 2.7Å; K68-D72 PolarHBondContact NZ-OD2 3.43Å; K68-D72 PolarHBondContact O-N 3.29Å; K68-E79 IonicContact NZ-OE2 3.68Å; K68-E79 PolarHBondContact NZ-OE2 3.31Å; K68-T83 HydrophobicContact CB-CG2 4.2Å; K68-T83 HydrophobicContact CG-CG2 4.02Å |
| 69 | E | 95.6 | Very high | 95.5 | Very high | 16 Ų | 16 | 70.9 Ų | 70.9 | 8% | 0.075 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59.2 | -47.8 | 176.7 | -178.6 | 170.5 | 149.6 | 0 | 0 | 111.6 | I65 N66 S67 Q71 D72 E73 T83 K84 R87 | I65-E69 PolarHBondContact O-N 3.3Å; N66-E69 PolarHBondContact O-N 3.39Å; S67-E69 VanDerWaalsContact C-N 3.32Å; S67-E69 PolarHBondContact O-N 2.88Å; E69-Q71 VanDerWaalsContact C-N 3.26Å; E69-Q71 PolarHBondContact O-N 3.44Å; E69-D72 PolarHBondContact O-N 3.11Å; E69-E73 WeakPolarHBondContact O-CB 3.4Å; E69-E73 PolarHBondContact O-N 3.42Å; E69-T83 HydrophobicContact CB-CG2 3.82Å; E69-K84 HydrophobicContact CG-CG 3.94Å; E69-K84 WeakPolarHBondContact OE1-CE 3.37Å; E69-K84 VanDerWaalsContact OE1-CG 3.28Å; E69-K84 WeakPolarHBondContact OE1-CG 3.32Å; E69-K84 WeakPolarHBondContact OE2-CG 3.28Å; E69-R87 IonicContact OE1-CZ 3.72Å; E69-R87 IonicContact OE1-NE 2.61Å; E69-R87 IonicContact OE1-NH2 3.01Å; E69-R87 PolarHBondContact OE1-NH2 3.26Å; E69-R87 WeakPolarHBondContact OE2-CD 3.43Å; E69-R87 IonicContact OE2-CZ 2.81Å; E69-R87 IonicContact OE2-NE 3.48Å; E69-R87 PolarHBondContact OE2-NE 3.25Å; E69-R87 IonicContact OE2-NH2 2.76Å; E69-R87 PolarHBondContact OE2-NH2 3.09Å |
| 70 | S | 94.4 | Very high | 95.4 | Very high | 69 Ų | 69 | 70.8 Ų | 70.8 | 48% | 0.483 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.2 | -35.3 | 176.1 | -56.2 | 0 | 0 | 0 | 0 | 112.3 | N66 S67 K68 A74 | N66-S70 PolarHBondContact O-N 3.2Å; N66-S70 PolarHBondContact O-OG 3.19Å; S67-S70 PolarHBondContact O-N 3.37Å; K68-S70 PolarHBondContact O-N 3.15Å; S70-A74 WeakPolarHBondContact O-CB 3.31Å; S70-A74 PolarHBondContact O-N 2.97Å |
| 71 | Q | 94.8 | Very high | 95.3 | Very high | 91 Ų | 91 | 74.8 Ų | 74.8 | 43% | 0.425 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -70.1 | -40.2 | 176 | -67.4 | 173.7 | 15.1 | 0 | 0 | 112.5 | S67 K68 E69 E73 A74 K75 | S67-Q71 WeakPolarHBondContact O-CG 3.45Å; S67-Q71 PolarHBondContact O-N 3.14Å; S67-Q71 VanDerWaalsContact O-N 3.15Å; K68-Q71 WeakPolarHBondContact O-CB 3.26Å; K68-Q71 PolarHBondContact O-N 3.43Å; K68-Q71 VanDerWaalsContact O-N 3.14Å; E69-Q71 VanDerWaalsContact C-N 3.26Å; E69-Q71 PolarHBondContact O-N 3.44Å; Q71-E73 VanDerWaalsContact C-N 3.35Å; Q71-A74 PolarHBondContact O-N 2.69Å; Q71-K75 WeakPolarHBondContact O-CB 3.09Å; Q71-K75 VanDerWaalsContact O-CG 3.27Å; Q71-K75 WeakPolarHBondContact O-CG 3.27Å; Q71-K75 PolarHBondContact O-N 2.8Å; Q71-K75 VanDerWaalsContact O-N 3.08Å |
| 72 | D | 94.5 | Very high | 95.2 | Very high | 4 Ų | 4 | 77.8 Ų | 77.8 | 2% | 0.021 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -66.2 | -39.7 | 177.4 | -73.4 | -20.8 | 0 | 0 | 0 | 111.4 | K68 E69 K75 G76 S77 I80 T83 | K68-D72 IonicContact NZ-OD1 2.79Å; K68-D72 PolarHBondContact NZ-OD1 2.87Å; K68-D72 IonicContact NZ-OD2 2.7Å; K68-D72 PolarHBondContact NZ-OD2 3.43Å; K68-D72 PolarHBondContact O-N 3.29Å; E69-D72 PolarHBondContact O-N 3.11Å; D72-K75 PolarHBondContact O-N 3.44Å; D72-G76 PolarHBondContact O-N 3.04Å; D72-S77 PolarHBondContact O-N 2.67Å; D72-I80 HydrophobicContact CB-CB 4.07Å; D72-I80 HydrophobicContact CB-CG1 4.2Å; D72-T83 PolarHBondContact OD2-OG1 2.85Å |
| 73 | E | 93.5 | Very high | 95.1 | Very high | 113 Ų | 113 | 77.6 Ų | 77.6 | 53% | 0.528 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.2 | -44.8 | 174.9 | -164.6 | 157.7 | -119 | 0 | 0 | 112 | E69 Q71 K75 G76 I80 K84 | E69-E73 WeakPolarHBondContact O-CB 3.4Å; E69-E73 PolarHBondContact O-N 3.42Å; Q71-E73 VanDerWaalsContact C-N 3.35Å; E73-K75 VanDerWaalsContact C-N 3.27Å; E73-K75 PolarHBondContact O-N 2.84Å; E73-G76 PolarHBondContact O-N 3.33Å; E73-I80 HydrophobicContact CB-CD1 3.67Å; E73-I80 HydrophobicContact CG-CD1 3.95Å; E73-K84 IonicContact OE1-NZ 3.35Å; E73-K84 PolarHBondContact OE1-NZ 2.93Å |
| 74 | A | 94.5 | Very high | 95.1 | Very high | 91 Ų | 91 | 76 Ų | 76 | 75% | 0.752 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -65.3 | -29 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | S70 Q71 | S70-A74 WeakPolarHBondContact O-CB 3.31Å; S70-A74 PolarHBondContact O-N 2.97Å; Q71-A74 PolarHBondContact O-N 2.69Å |
| 75 | K | 94.1 | Very high | 95.1 | Very high | 159 Ų | 159 | 78.4 Ų | 78.4 | 69% | 0.691 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -91.5 | -11.4 | 179.8 | -69.9 | 172.8 | -175.9 | 174.1 | 0 | 113.8 | Q71 D72 E73 S77 | Q71-K75 WeakPolarHBondContact O-CB 3.09Å; Q71-K75 VanDerWaalsContact O-CG 3.27Å; Q71-K75 WeakPolarHBondContact O-CG 3.27Å; Q71-K75 PolarHBondContact O-N 2.8Å; Q71-K75 VanDerWaalsContact O-N 3.08Å; D72-K75 PolarHBondContact O-N 3.44Å; E73-K75 VanDerWaalsContact C-N 3.27Å; E73-K75 PolarHBondContact O-N 2.84Å; K75-S77 VanDerWaalsContact C-N 3.33Å |
| 76 | G | 91.9 | Very high | 95.1 | Very high | 63 Ų | 63 | 82.6 Ų | 82.6 | 65% | 0.649 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 37.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | D72 E73 | D72-G76 PolarHBondContact O-N 3.04Å; E73-G76 PolarHBondContact O-N 3.33Å |
| 77 | S | 91.7 | Very high | 95.1 | Very high | 31 Ų | 31 | 81.6 Ų | 81.6 | 22% | 0.217 | 43% | 0.426 | C | S | . | . | trans | -70.6 | 134.6 | -179.5 | -179.7 | 0 | 0 | 0 | 0 | 111.8 | D72 K75 E79 I80 | D72-S77 PolarHBondContact O-N 2.67Å; K75-S77 VanDerWaalsContact C-N 3.33Å; S77-E79 PolarHBondContact O-N 3.31Å; S77-E79 WeakPolarHBondContact OG-CB 3.17Å; S77-E79 PolarHBondContact OG-N 3.44Å; S77-I80 WeakPolarHBondContact O-CB 3.49Å; S77-I80 VanDerWaalsContact O-CG2 3.26Å; S77-I80 WeakPolarHBondContact O-CG2 3.47Å; S77-I80 PolarHBondContact O-N 3.49Å; S77-I80 VanDerWaalsContact O-N 3.13Å | ||
| 78 | D | 91.5 | Very high | 95.2 | Very high | 154 Ų | 154 | 83.8 Ų | 83.8 | 82% | 0.824 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -18.9 | 172.6 | -66.6 | -35.3 | 0 | 0 | 0 | 112.5 | I80 | D78-I80 PolarHBondContact O-N 3.35Š|
| 79 | E | 92.7 | Very high | 95.3 | Very high | 106 Ų | 106 | 84.4 Ų | 84.4 | 50% | 0.495 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -11.6 | 176.5 | -59.4 | 179.5 | 160.4 | 0 | 0 | 113.1 | K68 S77 H81 I82 T83 | K68-E79 IonicContact NZ-OE2 3.68Å; K68-E79 PolarHBondContact NZ-OE2 3.31Å; S77-E79 PolarHBondContact O-N 3.31Å; S77-E79 WeakPolarHBondContact OG-CB 3.17Å; S77-E79 PolarHBondContact OG-N 3.44Å; E79-H81 PolarHBondContact O-N 3.07Å; E79-I82 WeakPolarHBondContact O-CA 3.4Å; E79-I82 WeakPolarHBondContact O-CB 3.39Å; E79-I82 PolarHBondContact O-N 3.41Å; E79-T83 PolarHBondContact O-N 3.44Å; E79-T83 PolarHBondContact O-OG1 3.01Å |
| 80 | I | 95.8 | Very high | 95.4 | Very high | 24 Ų | 24 | 83.8 Ų | 83.8 | 12% | 0.123 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -54.3 | -35.1 | -174.7 | -167.2 | 176 | 0 | 0 | 0 | 112.8 | D72 E73 S77 D78 I82 T83 K84 | D72-I80 HydrophobicContact CB-CB 4.07Å; D72-I80 HydrophobicContact CB-CG1 4.2Å; E73-I80 HydrophobicContact CB-CD1 3.67Å; E73-I80 HydrophobicContact CG-CD1 3.95Å; S77-I80 WeakPolarHBondContact O-CB 3.49Å; S77-I80 VanDerWaalsContact O-CG2 3.26Å; S77-I80 WeakPolarHBondContact O-CG2 3.47Å; S77-I80 PolarHBondContact O-N 3.49Å; S77-I80 VanDerWaalsContact O-N 3.13Å; D78-I80 PolarHBondContact O-N 3.35Å; I80-I82 VanDerWaalsContact C-N 3.34Å; I80-I82 PolarHBondContact O-N 3.19Å; I80-T83 PolarHBondContact O-N 3.43Å; I80-K84 HydrophobicContact CD1-CD 4.44Å; I80-K84 HydrophobicContact CG1-CD 4.07Å; I80-K84 HydrophobicContact CG1-CG 4.39Å; I80-K84 VanDerWaalsContact O-CB 3.31Å; I80-K84 WeakPolarHBondContact O-CB 3.41Å; I80-K84 WeakPolarHBondContact O-CG 3.5Å; I80-K84 PolarHBondContact O-N 3.26Å |
| 81 | H | 95.3 | Very high | 95.6 | Very high | 147 Ų | 147 | 81.3 Ų | 81.3 | 68% | 0.681 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -66.7 | -35.5 | 178 | -66.8 | -67 | 0 | 0 | 0 | 112.4 | E79 R85 | E79-H81 PolarHBondContact O-N 3.07Å; H81-R85 WeakPolarHBondContact O-CB 3.25Å; H81-R85 PolarHBondContact O-N 3.33Å; H81-R85 VanDerWaalsContact O-N 3.08Å |
| 82 | I | 96.5 | Very high | 95.8 | Very high | 122 Ų | 122 | 83.6 Ų | 83.6 | 63% | 0.626 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -69.2 | -47.9 | 175.9 | -58 | 173.4 | 0 | 0 | 0 | 109 | E79 I80 K84 R85 F86 | E79-I82 WeakPolarHBondContact O-CA 3.4Å; E79-I82 WeakPolarHBondContact O-CB 3.39Å; E79-I82 PolarHBondContact O-N 3.41Å; I80-I82 VanDerWaalsContact C-N 3.34Å; I80-I82 PolarHBondContact O-N 3.19Å; I82-K84 PolarHBondContact O-N 2.87Å; I82-R85 PolarHBondContact O-N 3.22Å; I82-F86 PolarHBondContact O-N 3.39Å |
| 83 | T | 97.1 | Very high | 96 | Very high | 16 Ų | 16 | 86.8 Ų | 86.8 | 10% | 0.098 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -60.3 | -46.3 | 178.7 | -51.6 | 0 | 0 | 0 | 0 | 111.4 | I65 K68 E69 D72 E79 I80 R85 F86 R87 | I65-T83 HydrophobicContact CG2-CG2 3.97Å; K68-T83 HydrophobicContact CB-CG2 4.2Å; K68-T83 HydrophobicContact CG-CG2 4.02Å; E69-T83 HydrophobicContact CB-CG2 3.82Å; D72-T83 PolarHBondContact OD2-OG1 2.85Å; E79-T83 PolarHBondContact O-N 3.44Å; E79-T83 PolarHBondContact O-OG1 3.01Å; I80-T83 PolarHBondContact O-N 3.43Å; T83-R85 PolarHBondContact O-N 3Å; T83-F86 PolarHBondContact O-N 3.05Å; T83-R87 PolarHBondContact O-N 3.32Å |
| 84 | K | 97.3 | Very high | 96.2 | Very high | 66 Ų | 66 | 81.4 Ų | 81.4 | 29% | 0.287 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -58.8 | -45.3 | 176.1 | -83.3 | 177.1 | 178.5 | 176.6 | 0 | 112 | E69 E73 I80 I82 K88 | E69-K84 HydrophobicContact CG-CG 3.94Å; E69-K84 WeakPolarHBondContact OE1-CE 3.37Å; E69-K84 VanDerWaalsContact OE1-CG 3.28Å; E69-K84 WeakPolarHBondContact OE1-CG 3.32Å; E69-K84 WeakPolarHBondContact OE2-CG 3.28Å; E73-K84 IonicContact OE1-NZ 3.35Å; E73-K84 PolarHBondContact OE1-NZ 2.93Å; I80-K84 HydrophobicContact CD1-CD 4.44Å; I80-K84 HydrophobicContact CG1-CD 4.07Å; I80-K84 HydrophobicContact CG1-CG 4.39Å; I80-K84 VanDerWaalsContact O-CB 3.31Å; I80-K84 WeakPolarHBondContact O-CB 3.41Å; I80-K84 WeakPolarHBondContact O-CG 3.5Å; I80-K84 PolarHBondContact O-N 3.26Å; I82-K84 PolarHBondContact O-N 2.87Å; K84-K88 WeakPolarHBondContact O-CG 3.41Å; K84-K88 PolarHBondContact O-N 3.2Å |
| 85 | R | 97.5 | Very high | 96.4 | Very high | 174 Ų | 174 | 80.3 Ų | 80.3 | 66% | 0.657 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -62.6 | -49.2 | 177.8 | 178.7 | -178.7 | 168.6 | 174.7 | 1 | 111.3 | H81 I82 T83 R87 K88 E89 | H81-R85 WeakPolarHBondContact O-CB 3.25Å; H81-R85 PolarHBondContact O-N 3.33Å; H81-R85 VanDerWaalsContact O-N 3.08Å; I82-R85 PolarHBondContact O-N 3.22Å; T83-R85 PolarHBondContact O-N 3Å; R85-R87 VanDerWaalsContact C-N 3.33Å; R85-R87 PolarHBondContact O-N 3.31Å; R85-K88 WeakPolarHBondContact O-CB 3.25Å; R85-K88 PolarHBondContact O-N 3.49Å; R85-K88 VanDerWaalsContact O-N 3.1Å; R85-E89 IonicContact CZ-OE1 2.7Å; R85-E89 IonicContact NE-OE1 3.93Å; R85-E89 PolarHBondContact NE-OE1 2.99Å; R85-E89 IonicContact NH2-OE1 3.17Å; R85-E89 PolarHBondContact O-N 3.15Å; R85-E89 VanDerWaalsContact O-N 3.09Å |
| 86 | F | 97.8 | Very high | 96.6 | Very high | 102 Ų | 102 | 77.8 Ų | 77.8 | 45% | 0.447 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.3 | -37.5 | -178 | -174.9 | -140.5 | 0 | 0 | 0 | 111.9 | I65 I82 T83 K88 E89 V90 | I65-F86 HydrophobicContact CD1-CD1 3.53Å; I65-F86 HydrophobicContact CD1-CE1 3.35Å; I65-F86 HydrophobicContact CD1-CG 4.27Å; I65-F86 HydrophobicContact CD1-CZ 3.96Å; I65-F86 HydrophobicContact CG1-CD1 3.95Å; I65-F86 HydrophobicContact CG1-CE1 3.95Å; I65-F86 HydrophobicContact CG2-CD1 4.43Å; I82-F86 PolarHBondContact O-N 3.39Å; T83-F86 PolarHBondContact O-N 3.05Å; F86-K88 VanDerWaalsContact C-N 3.3Å; F86-K88 PolarHBondContact O-N 2.93Å; F86-E89 HydrophobicContact CD2-CB 4.48Å; F86-E89 PolarHBondContact O-N 2.95Å; F86-V90 HydrophobicContact CD2-CG2 4.35Å; F86-V90 HydrophobicContact CE2-CG2 3.97Å; F86-V90 HydrophobicContact CZ-CG2 4.2Å; F86-V90 PolarHBondContact O-N 3.16Å |
| 87 | R | 97.7 | Very high | 96.9 | Very high | 33 Ų | 33 | 75.9 Ų | 75.9 | 13% | 0.125 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -55.8 | -45.2 | 171.1 | -174.6 | -176.6 | 48.2 | 105.8 | -18.1 | 111.5 | I65 E69 T83 R85 E89 V90 E91 | I65-R87 HydrophobicContact CG2-CB 3.72Å; I65-R87 HydrophobicContact CG2-CG 4.43Å; E69-R87 IonicContact OE1-CZ 3.72Å; E69-R87 IonicContact OE1-NE 2.61Å; E69-R87 IonicContact OE1-NH2 3.01Å; E69-R87 PolarHBondContact OE1-NH2 3.26Å; E69-R87 WeakPolarHBondContact OE2-CD 3.43Å; E69-R87 IonicContact OE2-CZ 2.81Å; E69-R87 IonicContact OE2-NE 3.48Å; E69-R87 PolarHBondContact OE2-NE 3.25Å; E69-R87 IonicContact OE2-NH2 2.76Å; E69-R87 PolarHBondContact OE2-NH2 3.09Å; T83-R87 PolarHBondContact O-N 3.32Å; R85-R87 VanDerWaalsContact C-N 3.33Å; R85-R87 PolarHBondContact O-N 3.31Å; R87-E89 VanDerWaalsContact C-N 3.32Å; R87-E89 PolarHBondContact O-N 3.46Å; R87-V90 PolarHBondContact O-N 3.04Å; R87-E91 WeakPolarHBondContact CD-OE1 3.38Å; R87-E91 HydrophobicContact CG-CG 4.38Å; R87-E91 WeakPolarHBondContact CG-OE1 3.29Å; R87-E91 IonicContact CZ-OE1 3.56Å; R87-E91 IonicContact NE-OE1 2.8Å; R87-E91 IonicContact NH1-OE1 3.31Å; R87-E91 PolarHBondContact NH1-OE1 2.94Å; R87-E91 IonicContact NH1-OE2 3.43Å; R87-E91 PolarHBondContact NH1-OE2 3.42Å; R87-E91 WeakPolarHBondContact O-CG 3.32Å; R87-E91 PolarHBondContact O-N 3.02Å |
| 88 | K | 98 | Very high | 97.3 | Very high | 106 Ų | 106 | 74.4 Ų | 74.4 | 46% | 0.461 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.2 | -34.6 | 178.5 | -70.1 | -54.3 | -175.4 | -175.2 | 0 | 113.3 | K84 R85 F86 E91 K92 | K84-K88 WeakPolarHBondContact O-CG 3.41Å; K84-K88 PolarHBondContact O-N 3.2Å; R85-K88 WeakPolarHBondContact O-CB 3.25Å; R85-K88 PolarHBondContact O-N 3.49Å; R85-K88 VanDerWaalsContact O-N 3.1Å; F86-K88 VanDerWaalsContact C-N 3.3Å; F86-K88 PolarHBondContact O-N 2.93Å; K88-E91 WeakPolarHBondContact CD-OE2 3.48Å; K88-E91 WeakPolarHBondContact CE-OE2 3.42Å; K88-E91 IonicContact NZ-OE2 2.86Å; K88-E91 PolarHBondContact NZ-OE2 2.87Å; K88-K92 PolarHBondContact O-N 2.84Å |
| 89 | E | 98.3 | Very high | 97.6 | Very high | 85 Ų | 85 | 69.1 Ų | 69.1 | 40% | 0.397 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.2 | -45 | 173.5 | -68.4 | 170.7 | -178.1 | 0 | 0 | 110.5 | R85 F86 R87 K92 E93 | R85-E89 IonicContact CZ-OE1 2.7Å; R85-E89 IonicContact NE-OE1 3.93Å; R85-E89 PolarHBondContact NE-OE1 2.99Å; R85-E89 IonicContact NH2-OE1 3.17Å; R85-E89 PolarHBondContact O-N 3.15Å; R85-E89 VanDerWaalsContact O-N 3.09Å; F86-E89 HydrophobicContact CD2-CB 4.48Å; F86-E89 PolarHBondContact O-N 2.95Å; R87-E89 VanDerWaalsContact C-N 3.32Å; R87-E89 PolarHBondContact O-N 3.46Å; E89-K92 WeakPolarHBondContact O-CB 3.05Å; E89-K92 PolarHBondContact O-N 3.45Å; E89-E93 PolarHBondContact O-N 3.35Å; E89-E93 VanDerWaalsContact O-N 3.15Å |
| 90 | V | 98.4 | Very high | 97.9 | Very high | 4 Ų | 4 | 66.1 Ų | 66.1 | 2% | 0.024 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.6 | -37.7 | 176.1 | 180 | 0 | 0 | 0 | 0 | 112.7 | W62 I65 F86 R87 K92 E93 L94 | W62-V90 HydrophobicContact CB-CG1 3.8Å; I65-V90 HydrophobicContact CD1-CB 4.43Å; I65-V90 HydrophobicContact CD1-CG2 3.64Å; F86-V90 HydrophobicContact CD2-CG2 4.35Å; F86-V90 HydrophobicContact CE2-CG2 3.97Å; F86-V90 HydrophobicContact CZ-CG2 4.2Å; F86-V90 PolarHBondContact O-N 3.16Å; R87-V90 PolarHBondContact O-N 3.04Å; V90-K92 VanDerWaalsContact C-N 3.26Å; V90-K92 PolarHBondContact O-N 3.41Å; V90-E93 PolarHBondContact O-N 2.93Å; V90-L94 HydrophobicContact CG1-CD1 4.37Å; V90-L94 WeakPolarHBondContact O-CG 3.35Å; V90-L94 PolarHBondContact O-N 3.39Å |
| 91 | E | 98.5 | Very high | 98 | Very high | 17 Ų | 17 | 65 Ų | 65 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.7 | -36.9 | 173.6 | -76.4 | 176.1 | -172.7 | 0 | 0 | 112.1 | W62 R87 K88 L94 D95 Y136 | W62-E91 VanDerWaalsContact NE1-CG 3.32Å; W62-E91 PolarHBondContact NE1-OE1 3.33Å; R87-E91 WeakPolarHBondContact CD-OE1 3.38Å; R87-E91 HydrophobicContact CG-CG 4.38Å; R87-E91 WeakPolarHBondContact CG-OE1 3.29Å; R87-E91 IonicContact CZ-OE1 3.56Å; R87-E91 IonicContact NE-OE1 2.8Å; R87-E91 IonicContact NH1-OE1 3.31Å; R87-E91 PolarHBondContact NH1-OE1 2.94Å; R87-E91 IonicContact NH1-OE2 3.43Å; R87-E91 PolarHBondContact NH1-OE2 3.42Å; R87-E91 WeakPolarHBondContact O-CG 3.32Å; R87-E91 PolarHBondContact O-N 3.02Å; K88-E91 WeakPolarHBondContact CD-OE2 3.48Å; K88-E91 WeakPolarHBondContact CE-OE2 3.42Å; K88-E91 IonicContact NZ-OE2 2.86Å; K88-E91 PolarHBondContact NZ-OE2 2.87Å; E91-L94 PolarHBondContact O-N 3.43Å; E91-D95 PolarHBondContact O-N 3.48Å; E91-Y136 HydrophobicContact CB-CD2 4.35Å; E91-Y136 HydrophobicContact CG-CD2 4.18Å; E91-Y136 HydrophobicContact CG-CG 4.39Å |
| 92 | K | 98.4 | Very high | 98.2 | Very high | 138 Ų | 138 | 58.2 Ų | 58.2 | 60% | 0.6 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -65.2 | -45.8 | 174.9 | -171.9 | -173.1 | 177.3 | -155.4 | 0 | 111.2 | K88 E89 V90 L94 D95 E96 | K88-K92 PolarHBondContact O-N 2.84Å; E89-K92 WeakPolarHBondContact O-CB 3.05Å; E89-K92 PolarHBondContact O-N 3.45Å; V90-K92 VanDerWaalsContact C-N 3.26Å; V90-K92 PolarHBondContact O-N 3.41Å; K92-L94 VanDerWaalsContact C-N 3.32Å; K92-L94 PolarHBondContact O-N 3.14Å; K92-D95 PolarHBondContact O-N 2.9Å; K92-E96 WeakPolarHBondContact CE-OE1 3.28Å; K92-E96 IonicContact NZ-OE1 2.62Å; K92-E96 WeakPolarHBondContact O-CG 3.5Å; K92-E96 PolarHBondContact O-N 3.12Å |
| 93 | E | 98.5 | Very high | 98.2 | Very high | 71 Ų | 71 | 56.4 Ų | 56.4 | 33% | 0.332 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.8 | -44.3 | 174.8 | -66.5 | 179.5 | -157.6 | 0 | 0 | 111.6 | R58 E89 V90 D95 E96 I97 | R58-E93 HydrophobicContact CG-CB 4.11Å; R58-E93 WeakPolarHBondContact CG-OE2 3.35Å; R58-E93 IonicContact CZ-OE2 2.65Å; R58-E93 IonicContact NE-OE2 3.59Å; R58-E93 PolarHBondContact NE-OE2 3.4Å; R58-E93 IonicContact NH2-OE2 2.98Å; E89-E93 PolarHBondContact O-N 3.35Å; E89-E93 VanDerWaalsContact O-N 3.15Å; V90-E93 PolarHBondContact O-N 2.93Å; E93-D95 VanDerWaalsContact C-N 3.33Å; E93-D95 PolarHBondContact O-N 3.48Å; E93-E96 PolarHBondContact O-N 3.34Å; E93-I97 WeakPolarHBondContact O-CD1 3.41Å; E93-I97 VanDerWaalsContact O-CG1 3.24Å; E93-I97 WeakPolarHBondContact O-CG1 3.29Å; E93-I97 PolarHBondContact O-N 2.88Å |
| 94 | L | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.1 | -44.2 | 176.3 | -76.8 | 170.6 | 0 | 0 | 0 | 112 | I55 R58 R59 W62 V90 E91 K92 I97 C98 Y136 | I55-L94 HydrophobicContact CD1-CD2 4.23Å; I55-L94 HydrophobicContact CG1-CD2 3.83Å; R58-L94 HydrophobicContact CB-CD2 3.5Å; R58-L94 HydrophobicContact CB-CG 3.96Å; R59-L94 HydrophobicContact CG-CD2 3.64Å; W62-L94 HydrophobicContact CB-CD1 3.77Å; W62-L94 HydrophobicContact CG-CD1 3.89Å; V90-L94 HydrophobicContact CG1-CD1 4.37Å; V90-L94 WeakPolarHBondContact O-CG 3.35Å; V90-L94 PolarHBondContact O-N 3.39Å; E91-L94 PolarHBondContact O-N 3.43Å; K92-L94 VanDerWaalsContact C-N 3.32Å; K92-L94 PolarHBondContact O-N 3.14Å; L94-I97 PolarHBondContact O-N 3.46Å; L94-C98 WeakPolarHBondContact O-CB 3.35Å; L94-C98 PolarHBondContact O-N 3.47Å; L94-C98 PolarHBondContact O-SG 3.38Å; L94-Y136 HydrophobicContact CB-CD1 4.15Å; L94-Y136 HydrophobicContact CB-CE1 3.64Å; L94-Y136 HydrophobicContact CD1-CD1 3.76Å; L94-Y136 HydrophobicContact CD1-CE1 4.11Å; L94-Y136 HydrophobicContact CD1-CG 4.25Å; L94-Y136 HydrophobicContact CG-CE1 4.38Å |
| 95 | D | 98.5 | Very high | 98.4 | Very high | 67 Ų | 67 | 53 Ų | 53 | 36% | 0.358 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -69.1 | -36.5 | 179.1 | -170 | 54.6 | 0 | 0 | 0 | 112.9 | E91 K92 E93 C98 T99 R133 Y136 | E91-D95 PolarHBondContact O-N 3.48Å; K92-D95 PolarHBondContact O-N 2.9Å; E93-D95 VanDerWaalsContact C-N 3.33Å; E93-D95 PolarHBondContact O-N 3.48Å; D95-C98 PolarHBondContact O-N 2.99Å; D95-T99 VanDerWaalsContact O-CB 3.25Å; D95-T99 WeakPolarHBondContact O-CB 3.5Å; D95-T99 PolarHBondContact O-N 2.81Å; D95-T99 PolarHBondContact O-OG1 3.33Å; D95-R133 IonicContact OD1-CZ 3.31Å; D95-R133 IonicContact OD1-NE 3.79Å; D95-R133 PolarHBondContact OD1-NE 3.31Å; D95-R133 IonicContact OD1-NH2 3.38Å; D95-R133 PolarHBondContact OD1-NH2 3.04Å; D95-R133 IonicContact OD2-NH2 2.67Å; D95-Y136 VanDerWaalsContact CA-OH 3.23Å; D95-Y136 WeakPolarHBondContact CA-OH 3.43Å; D95-Y136 HydrophobicContact CB-CE2 4.35Å; D95-Y136 PolarHBondContact N-OH 3.36Å |
| 96 | E | 98.5 | Very high | 98.4 | Very high | 107 Ų | 107 | 47.8 Ų | 47.8 | 50% | 0.5 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.3 | -46.1 | 173.1 | -73.3 | 171.6 | -177.5 | 0 | 0 | 111 | K92 E93 T99 S100 | K92-E96 WeakPolarHBondContact CE-OE1 3.28Å; K92-E96 IonicContact NZ-OE1 2.62Å; K92-E96 WeakPolarHBondContact O-CG 3.5Å; K92-E96 PolarHBondContact O-N 3.12Å; E93-E96 PolarHBondContact O-N 3.34Å; E96-T99 PolarHBondContact O-N 3.39Å; E96-S100 WeakPolarHBondContact O-CB 3.45Å; E96-S100 PolarHBondContact O-N 3.31Å |
| 97 | I | 98.6 | Very high | 98.4 | Very high | 22 Ų | 22 | 48.5 Ų | 48.5 | 11% | 0.113 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.2 | -47.6 | 177.4 | -62.2 | 156.5 | 0 | 0 | 0 | 110.7 | Y51 V54 I55 R58 E93 L94 S100 I101 Y129 | Y51-I97 HydrophobicContact CD1-CG2 4.1Å; Y51-I97 HydrophobicContact CE1-CG2 4.4Å; V54-I97 HydrophobicContact CG1-CD1 3.68Å; V54-I97 HydrophobicContact CG1-CG1 3.95Å; V54-I97 HydrophobicContact CG1-CG2 4.35Å; I55-I97 HydrophobicContact CB-CG2 4.02Å; I55-I97 HydrophobicContact CD1-CB 4.34Å; I55-I97 HydrophobicContact CD1-CG2 3.93Å; I55-I97 HydrophobicContact CG1-CG2 4.34Å; R58-I97 HydrophobicContact CB-CD1 4.35Å; R58-I97 HydrophobicContact CG-CD1 3.99Å; E93-I97 WeakPolarHBondContact O-CD1 3.41Å; E93-I97 VanDerWaalsContact O-CG1 3.24Å; E93-I97 WeakPolarHBondContact O-CG1 3.29Å; E93-I97 PolarHBondContact O-N 2.88Å; L94-I97 PolarHBondContact O-N 3.46Å; I97-S100 PolarHBondContact O-N 3.47Å; I97-I101 WeakPolarHBondContact O-CG2 3.49Å; I97-I101 PolarHBondContact O-N 2.96Å; I97-Y129 HydrophobicContact CG2-CE1 4.5Å |
| 98 | C | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.7 | -43.1 | 178.7 | -69.1 | 0 | 0 | 0 | 0 | 111.7 | I55 L94 D95 S100 I101 L102 R133 | I55-C98 WeakPolarHBondContact CD1-SG 3.48Å; L94-C98 WeakPolarHBondContact O-CB 3.35Å; L94-C98 PolarHBondContact O-N 3.47Å; L94-C98 PolarHBondContact O-SG 3.38Å; D95-C98 PolarHBondContact O-N 2.99Å; C98-S100 VanDerWaalsContact C-N 3.34Å; C98-S100 PolarHBondContact O-N 3.42Å; C98-I101 WeakPolarHBondContact O-CG2 3.34Å; C98-L102 HydrophobicContact CB-CD1 4.47Å; C98-L102 VanDerWaalsContact O-CB 3.26Å; C98-L102 WeakPolarHBondContact O-CB 3.45Å; C98-L102 WeakPolarHBondContact O-CD1 3.37Å; C98-L102 WeakPolarHBondContact O-CG 3.46Å; C98-L102 PolarHBondContact O-N 2.89Å; C98-R133 HydrophobicContact CB-CG 3.73Å |
| 99 | T | 98.6 | Very high | 98.3 | Very high | 43 Ų | 43 | 43.3 Ų | 43.3 | 26% | 0.264 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.8 | -47.1 | 176.4 | -59.3 | 0 | 0 | 0 | 0 | 110.8 | D95 E96 I101 L102 N103 R133 | D95-T99 VanDerWaalsContact O-CB 3.25Å; D95-T99 WeakPolarHBondContact O-CB 3.5Å; D95-T99 PolarHBondContact O-N 2.81Å; D95-T99 PolarHBondContact O-OG1 3.33Å; E96-T99 PolarHBondContact O-N 3.39Å; T99-I101 PolarHBondContact O-N 2.84Å; T99-L102 PolarHBondContact O-N 3.48Å; T99-N103 WeakPolarHBondContact CG2-ND2 3.43Å; T99-N103 VanDerWaalsContact O-CB 3.29Å; T99-N103 WeakPolarHBondContact O-CB 3.29Å; T99-N103 VanDerWaalsContact O-CG 3.22Å; T99-N103 PolarHBondContact O-N 3.31Å; T99-N103 PolarHBondContact O-ND2 3.24Å; T99-R133 PolarHBondContact OG1-NH2 3.21Å |
| 100 | S | 98.4 | Very high | 98.3 | Very high | 44 Ų | 44 | 40.9 Ų | 40.9 | 31% | 0.308 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -57 | -53.1 | -178.1 | -177.4 | 0 | 0 | 0 | 0 | 111.9 | Y51 E96 I97 C98 L104 | Y51-S100 PolarHBondContact OH-OG 3.39Å; E96-S100 WeakPolarHBondContact O-CB 3.45Å; E96-S100 PolarHBondContact O-N 3.31Å; I97-S100 PolarHBondContact O-N 3.47Å; C98-S100 VanDerWaalsContact C-N 3.34Å; C98-S100 PolarHBondContact O-N 3.42Å; S100-L104 WeakPolarHBondContact O-CB 3.35Å; S100-L104 PolarHBondContact O-N 3.19Å |
| 101 | I | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -71.2 | -38.3 | -178.9 | -175.4 | 58.4 | 0 | 0 | 0 | 113 | Y51 I97 C98 T99 N103 L104 L105 M125 Y129 | Y51-I101 HydrophobicContact CD1-CB 3.85Å; Y51-I101 HydrophobicContact CD1-CG1 4.4Å; Y51-I101 HydrophobicContact CD1-CG2 4.4Å; Y51-I101 HydrophobicContact CD2-CD1 3.9Å; Y51-I101 HydrophobicContact CE1-CB 3.6Å; Y51-I101 HydrophobicContact CE1-CG1 4.45Å; Y51-I101 HydrophobicContact CE1-CG2 4.37Å; Y51-I101 HydrophobicContact CE2-CB 4.42Å; Y51-I101 HydrophobicContact CE2-CD1 3.81Å; Y51-I101 HydrophobicContact CG-CB 4.35Å; Y51-I101 HydrophobicContact CG-CD1 4.28Å; Y51-I101 HydrophobicContact CG-CG1 4.41Å; I97-I101 WeakPolarHBondContact O-CG2 3.49Å; I97-I101 PolarHBondContact O-N 2.96Å; C98-I101 WeakPolarHBondContact O-CG2 3.34Å; T99-I101 PolarHBondContact O-N 2.84Å; I101-N103 VanDerWaalsContact C-N 3.35Å; I101-N103 PolarHBondContact O-N 2.69Å; I101-L104 HydrophobicContact CD1-CD2 4.31Å; I101-L104 PolarHBondContact O-N 3.46Å; I101-L105 HydrophobicContact CD1-CD1 4.33Å; I101-L105 HydrophobicContact CD1-CG 4.1Å; I101-L105 HydrophobicContact CG1-CD1 3.89Å; I101-L105 HydrophobicContact CG1-CG 4.18Å; I101-L105 WeakPolarHBondContact O-CB 3.45Å; I101-L105 WeakPolarHBondContact O-CG 3.41Å; I101-L105 PolarHBondContact O-N 3.17Å; I101-M125 HydrophobicContact CD1-CE 3.73Å; I101-M125 HydrophobicContact CD1-SD 4.12Å; I101-M125 HydrophobicContact CG1-CE 3.91Å; I101-M125 HydrophobicContact CG1-SD 4.37Å; I101-Y129 HydrophobicContact CG1-CD2 4.06Å; I101-Y129 HydrophobicContact CG1-CE2 4.05Å; I101-Y129 HydrophobicContact CG2-CD1 3.29Å; I101-Y129 HydrophobicContact CG2-CD2 3.69Å; I101-Y129 HydrophobicContact CG2-CE1 3.64Å; I101-Y129 HydrophobicContact CG2-CE2 4.06Å; I101-Y129 HydrophobicContact CG2-CG 3.34Å |
| 102 | L | 98.8 | Very high | 98.1 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.9 | -43 | 178.3 | -70.2 | 170.3 | 0 | 0 | 0 | 110.7 | C98 T99 L104 L105 D106 R126 | C98-L102 HydrophobicContact CB-CD1 4.47Å; C98-L102 VanDerWaalsContact O-CB 3.26Å; C98-L102 WeakPolarHBondContact O-CB 3.45Å; C98-L102 WeakPolarHBondContact O-CD1 3.37Å; C98-L102 WeakPolarHBondContact O-CG 3.46Å; C98-L102 PolarHBondContact O-N 2.89Å; T99-L102 PolarHBondContact O-N 3.48Å; L102-L104 VanDerWaalsContact C-N 3.34Å; L102-L104 PolarHBondContact O-N 2.98Å; L102-L105 HydrophobicContact CD2-CD1 4.5Å; L102-L105 PolarHBondContact O-N 3Å; L102-D106 WeakPolarHBondContact O-CB 3.45Å; L102-D106 PolarHBondContact O-N 3.47Å; L102-R126 HydrophobicContact CD2-CG 3.8Å |
| 103 | N | 98.5 | Very high | 98 | Very high | 84 Ų | 84 | 40.6 Ų | 40.6 | 45% | 0.449 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63 | -39.7 | 173.9 | -73.2 | -15.3 | 0 | 0 | 0 | 112.2 | T99 I101 N107 | T99-N103 WeakPolarHBondContact CG2-ND2 3.43Å; T99-N103 VanDerWaalsContact O-CB 3.29Å; T99-N103 WeakPolarHBondContact O-CB 3.29Å; T99-N103 VanDerWaalsContact O-CG 3.22Å; T99-N103 PolarHBondContact O-N 3.31Å; T99-N103 PolarHBondContact O-ND2 3.24Å; I101-N103 VanDerWaalsContact C-N 3.35Å; I101-N103 PolarHBondContact O-N 2.69Å; N103-N107 VanDerWaalsContact O-CB 3.24Å; N103-N107 WeakPolarHBondContact O-CB 3.4Å; N103-N107 PolarHBondContact O-N 3.2Å; N103-N107 PolarHBondContact O-ND2 3.47Å |
| 104 | L | 98.4 | Very high | 97.9 | Very high | 10 Ų | 10 | 42.5 Ų | 42.5 | 5% | 0.052 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.5 | -40.7 | 176.5 | -170.2 | 69 | 0 | 0 | 0 | 111.7 | I29 A32 T33 L47 Y51 S100 I101 L102 C108 L109 | I29-L104 HydrophobicContact CG1-CD2 4.19Å; A32-L104 HydrophobicContact CB-CD1 3.77Å; A32-L104 HydrophobicContact CB-CD2 3.93Å; A32-L104 HydrophobicContact CB-CG 4.07Å; T33-L104 HydrophobicContact CG2-CD1 3.79Å; L47-L104 HydrophobicContact CD1-CD2 3.99Å; Y51-L104 HydrophobicContact CE2-CD2 4.45Å; S100-L104 WeakPolarHBondContact O-CB 3.35Å; S100-L104 PolarHBondContact O-N 3.19Å; I101-L104 HydrophobicContact CD1-CD2 4.31Å; I101-L104 PolarHBondContact O-N 3.46Å; L102-L104 VanDerWaalsContact C-N 3.34Å; L102-L104 PolarHBondContact O-N 2.98Å; L104-C108 HydrophobicContact CD1-CB 4.14Å; L104-C108 WeakPolarHBondContact O-CA 3.29Å; L104-C108 VanDerWaalsContact O-CB 3.3Å; L104-C108 WeakPolarHBondContact O-CB 3.47Å; L104-C108 PolarHBondContact O-N 3.05Å; L104-L109 HydrophobicContact CD2-CD1 4.06Å; L104-L109 HydrophobicContact CG-CD1 3.98Å; L104-L109 HydrophobicContact CG-CG 4.3Å; L104-L109 PolarHBondContact O-N 3.19Å |
| 105 | L | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -62.8 | -52.9 | 176.8 | -73.5 | 167.2 | 0 | 0 | 0 | 110.8 | I101 L102 L109 L110 L122 M125 R126 | I101-L105 HydrophobicContact CD1-CD1 4.33Å; I101-L105 HydrophobicContact CD1-CG 4.1Å; I101-L105 HydrophobicContact CG1-CD1 3.89Å; I101-L105 HydrophobicContact CG1-CG 4.18Å; I101-L105 WeakPolarHBondContact O-CB 3.45Å; I101-L105 WeakPolarHBondContact O-CG 3.41Å; I101-L105 PolarHBondContact O-N 3.17Å; L102-L105 HydrophobicContact CD2-CD1 4.5Å; L102-L105 PolarHBondContact O-N 3Å; L105-L109 HydrophobicContact CD2-CB 4.37Å; L105-L109 HydrophobicContact CD2-CD1 3.92Å; L105-L109 PolarHBondContact O-N 3.4Å; L105-L110 HydrophobicContact CB-CD1 4.32Å; L105-L110 VanDerWaalsContact O-CB 3.27Å; L105-L110 WeakPolarHBondContact O-CB 3.47Å; L105-L110 WeakPolarHBondContact O-CG 3.27Å; L105-L110 PolarHBondContact O-N 2.98Å; L105-L122 HydrophobicContact CD2-CB 4.02Å; L105-L122 HydrophobicContact CD2-CD2 3.65Å; L105-L122 HydrophobicContact CD2-CG 4.4Å; L105-M125 HydrophobicContact CD1-CB 4.38Å; L105-M125 HydrophobicContact CD1-CG 4.28Å; L105-M125 HydrophobicContact CD2-SD 4.38Å; L105-R126 HydrophobicContact CD1-CB 3.98Å |
| 106 | D | 98.1 | Very high | 97.7 | Very high | 66 Ų | 66 | 44 Ų | 44 | 35% | 0.353 | 25% | 0.249 | S | C | . | . | I | π-helix | trans | -72 | -38.4 | -173.3 | -68.5 | -30.7 | 0 | 0 | 0 | 112.5 | L102 P111 R126 | L102-D106 WeakPolarHBondContact O-CB 3.45Å; L102-D106 PolarHBondContact O-N 3.47Å; D106-P111 WeakPolarHBondContact O-CD 3.37Å; D106-P111 WeakPolarHBondContact O-CG 3.49Å; D106-R126 WeakPolarHBondContact OD1-CD 3.47Å; D106-R126 IonicContact OD1-NH1 3.59Å; D106-R126 PolarHBondContact OD1-NH1 2.93Å |
| 107 | N | 97.3 | Very high | 97.6 | Very high | 117 Ų | 117 | 42.2 Ų | 42.2 | 63% | 0.626 | 24% | 0.241 | S | C | * | . | I | π-helix | trans | -94.2 | -20.5 | -174 | -59.3 | -56.2 | 0 | 0 | 0 | 114.3 | N103 | N103-N107 VanDerWaalsContact O-CB 3.24Å; N103-N107 WeakPolarHBondContact O-CB 3.4Å; N103-N107 PolarHBondContact O-N 3.2Å; N103-N107 PolarHBondContact O-ND2 3.47Å |
| 108 | C | 96.6 | Very high | 97.5 | Very high | 22 Ų | 22 | 41.3 Ų | 41.3 | 15% | 0.149 | 24% | 0.237 | C | C | . | . | I | π-helix | trans | -126.5 | -51.2 | -172.8 | -57.2 | 0 | 0 | 0 | 0 | 113.2 | L104 K112 | L104-C108 HydrophobicContact CD1-CB 4.14Å; L104-C108 WeakPolarHBondContact O-CA 3.29Å; L104-C108 VanDerWaalsContact O-CB 3.3Å; L104-C108 WeakPolarHBondContact O-CB 3.47Å; L104-C108 PolarHBondContact O-N 3.05Å; C108-K112 WeakPolarHBondContact O-CD 3.21Å; C108-K112 WeakPolarHBondContact O-CE 3.4Å; C108-K112 WeakPolarHBondContact O-CG 3.37Å |
| 109 | L | 98.1 | Very high | 97.5 | Very high | 8 Ų | 8 | 44.2 Ų | 44.2 | 4% | 0.042 | 25% | 0.25 | C | C | . | . | I | π-helix | trans | -85.8 | -50 | -166.9 | -61.2 | 169.5 | 0 | 0 | 0 | 113.2 | A32 L39 L47 L104 L105 K112 A113 L122 | A32-L109 HydrophobicContact CB-CD2 3.73Å; A32-L109 HydrophobicContact CB-CG 4.33Å; L39-L109 HydrophobicContact CD1-CD2 3.54Å; L39-L109 HydrophobicContact CG-CD2 3.8Å; L47-L109 HydrophobicContact CD2-CD1 3.44Å; L47-L109 VanDerWaalsContact CD2-CD1 3.44Å; L104-L109 HydrophobicContact CD2-CD1 4.06Å; L104-L109 HydrophobicContact CG-CD1 3.98Å; L104-L109 HydrophobicContact CG-CG 4.3Å; L104-L109 PolarHBondContact O-N 3.19Å; L105-L109 HydrophobicContact CD2-CB 4.37Å; L105-L109 HydrophobicContact CD2-CD1 3.92Å; L105-L109 PolarHBondContact O-N 3.4Å; L109-K112 PolarHBondContact O-N 3.06Å; L109-K112 VanDerWaalsContact O-N 3.12Å; L109-A113 PolarHBondContact O-N 3.25Å; L109-A113 VanDerWaalsContact O-N 3.11Å; L109-L122 HydrophobicContact CB-CD1 3.92Å; L109-L122 HydrophobicContact CB-CD2 4.05Å; L109-L122 HydrophobicContact CD1-CD2 4.09Å |
| 110 | L | 97.8 | Very high | 97.5 | Very high | 33 Ų | 33 | 42.2 Ų | 42.2 | 17% | 0.173 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.7 | -40.1 | 179.6 | -72.4 | 169.2 | 0 | 0 | 0 | 112.7 | L105 K112 A113 L122 | L105-L110 HydrophobicContact CB-CD1 4.32Å; L105-L110 VanDerWaalsContact O-CB 3.27Å; L105-L110 WeakPolarHBondContact O-CB 3.47Å; L105-L110 WeakPolarHBondContact O-CG 3.27Å; L105-L110 PolarHBondContact O-N 2.98Å; L110-K112 PolarHBondContact O-N 2.85Å; L110-A113 WeakPolarHBondContact O-CB 3.13Å; L110-A113 PolarHBondContact O-N 2.98Å; L110-L122 HydrophobicContact CD2-CB 3.6Å; L110-L122 HydrophobicContact CD2-CD1 4.5Å; L110-L122 HydrophobicContact CG-CB 4.3Å |
| 111 | P | 97 | Very high | 97.5 | Very high | 94 Ų | 94 | 41.3 Ų | 41.3 | 61% | 0.61 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -61.5 | -26.9 | 174.2 | -26 | 36.2 | 0 | 0 | 0 | 114.2 | D106 | D106-P111 WeakPolarHBondContact O-CD 3.37Å; D106-P111 WeakPolarHBondContact O-CG 3.49Å |
| 112 | K | 96.6 | Very high | 97.5 | Very high | 48 Ų | 48 | 41.7 Ų | 41.7 | 21% | 0.209 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -94.2 | -5.9 | -179.3 | -62.4 | 171.9 | -161.7 | 170.3 | 0 | 113.1 | A32 T35 E38 C108 L109 L110 V114 | A32-K112 PolarHBondContact O-NZ 3.24Å; T35-K112 WeakPolarHBondContact O-CE 3.39Å; T35-K112 PolarHBondContact O-NZ 3.48Å; E38-K112 WeakPolarHBondContact CB-O 3.16Å; C108-K112 WeakPolarHBondContact O-CD 3.21Å; C108-K112 WeakPolarHBondContact O-CE 3.4Å; C108-K112 WeakPolarHBondContact O-CG 3.37Å; L109-K112 PolarHBondContact O-N 3.06Å; L109-K112 VanDerWaalsContact O-N 3.12Å; L110-K112 PolarHBondContact O-N 2.85Å; K112-V114 PolarHBondContact O-N 3.04Å |
| 113 | A | 96.4 | Very high | 97.5 | Very high | 12 Ų | 12 | 42 Ų | 42 | 10% | 0.099 | 23% | 0.231 | C | C | . | . | trans | -74.5 | 107.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L109 L110 K119 L122 | L109-A113 PolarHBondContact O-N 3.25Å; L109-A113 VanDerWaalsContact O-N 3.11Å; L110-A113 WeakPolarHBondContact O-CB 3.13Å; L110-A113 PolarHBondContact O-N 2.98Å; A113-K119 HydrophobicContact CB-CG 3.97Å; A113-K119 WeakPolarHBondContact O-CE 3.26Å; A113-L122 HydrophobicContact CB-CD1 3.88Å | ||
| 114 | V | 95.1 | Very high | 97.5 | Very high | 111 Ų | 111 | 39.7 Ų | 39.7 | 67% | 0.673 | 22% | 0.218 | S | C | * | . | trans | -94.6 | -50.6 | -179.8 | -177.6 | 0 | 0 | 0 | 0 | 110.5 | E38 K112 K119 | E38-V114 WeakPolarHBondContact OE2-CB 3.37Å; E38-V114 PolarHBondContact OE2-N 3.45Å; K112-V114 PolarHBondContact O-N 3.04Å; V114-K119 VanDerWaalsContact O-CE 3.24Å; V114-K119 WeakPolarHBondContact O-CE 3.41Å; V114-K119 PolarHBondContact O-NZ 3.22Å | ||
| 115 | S | 95.7 | Very high | 97.5 | Very high | 45 Ų | 45 | 39.6 Ų | 39.6 | 32% | 0.315 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -67.1 | 147.4 | -177.7 | 68.3 | 0 | 0 | 0 | 0 | 112.8 | E38 E117 S118 K119 | E38-S115 PolarHBondContact OE1-OG 2.81Å; E38-S115 PolarHBondContact OE2-N 2.85Å; S115-E117 VanDerWaalsContact C-N 3.28Å; S115-E117 PolarHBondContact O-N 3.41Å; S115-S118 PolarHBondContact O-N 3.33Å; S115-S118 VanDerWaalsContact OG-CB 3.27Å; S115-S118 WeakPolarHBondContact OG-CB 3.13Å; S115-S118 PolarHBondContact OG-N 2.69Å; S115-S118 VanDerWaalsContact OG-N 3.14Å; S115-S118 PolarHBondContact OG-OG 3.01Å; S115-S118 VanDerWaalsContact OG-OG 3.11Å; S115-K119 WeakPolarHBondContact O-CG 3.49Å; S115-K119 PolarHBondContact O-N 3.3Å; S115-K119 VanDerWaalsContact O-N 3.07Å |
| 116 | D | 97 | Very high | 97.5 | Very high | 53 Ų | 53 | 42.1 Ų | 42.1 | 28% | 0.283 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.1 | -38.3 | 174.7 | -64.4 | -49.2 | 0 | 0 | 0 | 111 | S118 K119 V120 K162 L163 | D116-S118 PolarHBondContact O-N 3.45Å; D116-K119 PolarHBondContact O-N 3.25Å; D116-V120 VanDerWaalsContact O-CG2 3.24Å; D116-V120 WeakPolarHBondContact O-CG2 3.31Å; D116-V120 PolarHBondContact O-N 3.41Å; D116-K162 HydrophobicContact CB-CB 4.3Å; D116-K162 HydrophobicContact CB-CD 4.13Å; D116-K162 WeakPolarHBondContact OD1-CD 3.38Å; D116-K162 IonicContact OD1-NZ 2.8Å; D116-K162 PolarHBondContact OD1-NZ 3.03Å; D116-K162 VanDerWaalsContact OD2-CD 3.24Å; D116-K162 WeakPolarHBondContact OD2-CD 3.38Å; D116-L163 HydrophobicContact CB-CD2 4.4Å |
| 117 | E | 96.5 | Very high | 97.6 | Very high | 70 Ų | 70 | 39 Ų | 39 | 33% | 0.327 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -54.5 | -49.5 | 173.8 | -75 | -176.6 | -161.6 | 0 | 0 | 113 | S115 V120 F121 L163 H167 I169 | S115-E117 VanDerWaalsContact C-N 3.28Å; S115-E117 PolarHBondContact O-N 3.41Å; E117-V120 PolarHBondContact O-N 2.86Å; E117-F121 VanDerWaalsContact O-CB 3.26Å; E117-F121 WeakPolarHBondContact O-CB 3.26Å; E117-F121 PolarHBondContact O-N 3.22Å; E117-L163 HydrophobicContact CG-CD2 3.78Å; E117-H167 IonicContact OE1-NE2 2.84Å; E117-H167 PolarHBondContact OE1-NE2 3.47Å; E117-I169 HydrophobicContact CB-CD1 4Å; E117-I169 HydrophobicContact CG-CD1 4.3Å |
| 118 | S | 97.6 | Very high | 97.7 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 3% | 0.028 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.9 | -35.8 | 179.7 | -69.7 | 0 | 0 | 0 | 0 | 112.5 | E38 R44 S115 D116 V120 F121 L122 | E38-S118 WeakPolarHBondContact OE1-CB 3.32Å; E38-S118 PolarHBondContact OE1-OG 2.93Å; R44-S118 PolarHBondContact NH1-OG 3.49Å; S115-S118 PolarHBondContact O-N 3.33Å; S115-S118 VanDerWaalsContact OG-CB 3.27Å; S115-S118 WeakPolarHBondContact OG-CB 3.13Å; S115-S118 PolarHBondContact OG-N 2.69Å; S115-S118 VanDerWaalsContact OG-N 3.14Å; S115-S118 PolarHBondContact OG-OG 3.01Å; S115-S118 VanDerWaalsContact OG-OG 3.11Å; D116-S118 PolarHBondContact O-N 3.45Å; S118-V120 VanDerWaalsContact C-N 3.33Å; S118-V120 PolarHBondContact O-N 3.06Å; S118-F121 PolarHBondContact O-N 3.34Å; S118-L122 VanDerWaalsContact O-CB 3.28Å; S118-L122 WeakPolarHBondContact O-CB 3.37Å; S118-L122 WeakPolarHBondContact O-CG 3.37Å; S118-L122 PolarHBondContact O-N 3.01Å |
| 119 | K | 98.3 | Very high | 97.8 | Very high | 61 Ų | 61 | 33.2 Ų | 33.2 | 27% | 0.265 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -59.7 | -45.9 | 174.2 | -72.2 | 169.1 | -173.6 | 158.1 | 0 | 111.1 | A113 V114 S115 D116 N123 D159 | A113-K119 HydrophobicContact CB-CG 3.97Å; A113-K119 WeakPolarHBondContact O-CE 3.26Å; V114-K119 VanDerWaalsContact O-CE 3.24Å; V114-K119 WeakPolarHBondContact O-CE 3.41Å; V114-K119 PolarHBondContact O-NZ 3.22Å; S115-K119 WeakPolarHBondContact O-CG 3.49Å; S115-K119 PolarHBondContact O-N 3.3Å; S115-K119 VanDerWaalsContact O-N 3.07Å; D116-K119 PolarHBondContact O-N 3.25Å; K119-N123 VanDerWaalsContact O-CB 3.28Å; K119-N123 WeakPolarHBondContact O-CB 3.38Å; K119-N123 PolarHBondContact O-N 3.29Å; K119-N123 PolarHBondContact O-ND2 3.14Å; K119-D159 HydrophobicContact CB-CB 4.38Å |
| 120 | V | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.2 | -47.7 | 177.1 | -179.1 | 0 | 0 | 0 | 0 | 110.2 | D116 E117 S118 L122 K124 A156 D159 A160 L163 I169 L173 | D116-V120 VanDerWaalsContact O-CG2 3.24Å; D116-V120 WeakPolarHBondContact O-CG2 3.31Å; D116-V120 PolarHBondContact O-N 3.41Å; E117-V120 PolarHBondContact O-N 2.86Å; S118-V120 VanDerWaalsContact C-N 3.33Å; S118-V120 PolarHBondContact O-N 3.06Å; V120-L122 PolarHBondContact O-N 3.25Å; V120-K124 WeakPolarHBondContact O-CB 3.49Å; V120-K124 PolarHBondContact O-N 2.89Å; V120-A156 HydrophobicContact CG1-CB 4.45Å; V120-D159 VanDerWaalsContact CG2-C 3.48Å; V120-D159 HydrophobicContact CG2-CB 3.69Å; V120-A160 HydrophobicContact CG1-CB 3.92Å; V120-A160 HydrophobicContact CG2-CB 3.88Å; V120-A160 VanDerWaalsContact CG2-N 3.34Å; V120-L163 HydrophobicContact CB-CD1 4.21Å; V120-L163 HydrophobicContact CG1-CD1 4.41Å; V120-L163 HydrophobicContact CG2-CD1 3.94Å; V120-I169 HydrophobicContact CB-CG2 3.95Å; V120-I169 HydrophobicContact CG1-CG2 3.59Å; V120-L173 HydrophobicContact CG1-CB 4.49Å; V120-L173 HydrophobicContact CG1-CD2 4.05Å |
| 121 | F | 98.5 | Very high | 97.8 | Very high | 26 Ų | 26 | 32.7 Ų | 32.7 | 11% | 0.114 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.5 | -50.2 | -179 | -173.3 | -79.3 | 0 | 0 | 0 | 112.3 | R44 E117 S118 K124 M125 I169 | R44-F121 VanDerWaalsContact CD-CG 3.49Å; R44-F121 HydrophobicContact CG-CD1 3.45Å; R44-F121 VanDerWaalsContact CG-CD1 3.45Å; R44-F121 HydrophobicContact CG-CD2 4.41Å; R44-F121 HydrophobicContact CG-CE1 3.29Å; R44-F121 HydrophobicContact CG-CE2 4.26Å; R44-F121 HydrophobicContact CG-CG 4.02Å; R44-F121 HydrophobicContact CG-CZ 3.71Å; E117-F121 VanDerWaalsContact O-CB 3.26Å; E117-F121 WeakPolarHBondContact O-CB 3.26Å; E117-F121 PolarHBondContact O-N 3.22Å; S118-F121 PolarHBondContact O-N 3.34Å; F121-K124 WeakPolarHBondContact O-CB 3.39Å; F121-K124 PolarHBondContact O-N 3.01Å; F121-M125 HydrophobicContact CE1-SD 4.44Å; F121-M125 WeakPolarHBondContact O-CB 3.41Å; F121-M125 PolarHBondContact O-N 3.23Å; F121-I169 HydrophobicContact CB-CD1 4.39Å; F121-I169 HydrophobicContact CB-CG2 4.29Å; F121-I169 HydrophobicContact CD2-CD1 4.2Å; F121-I169 HydrophobicContact CD2-CG1 4.4Å |
| 122 | L | 98.6 | Very high | 97.9 | Very high | 7 Ų | 7 | 29.5 Ų | 29.5 | 4% | 0.037 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -73.3 | -38.5 | -175.2 | -64.7 | 170.3 | 0 | 0 | 0 | 111.7 | L105 L109 L110 A113 S118 V120 M125 R126 | L105-L122 HydrophobicContact CD2-CB 4.02Å; L105-L122 HydrophobicContact CD2-CD2 3.65Å; L105-L122 HydrophobicContact CD2-CG 4.4Å; L109-L122 HydrophobicContact CB-CD1 3.92Å; L109-L122 HydrophobicContact CB-CD2 4.05Å; L109-L122 HydrophobicContact CD1-CD2 4.09Å; L110-L122 HydrophobicContact CD2-CB 3.6Å; L110-L122 HydrophobicContact CD2-CD1 4.5Å; L110-L122 HydrophobicContact CG-CB 4.3Å; A113-L122 HydrophobicContact CB-CD1 3.88Å; S118-L122 VanDerWaalsContact O-CB 3.28Å; S118-L122 WeakPolarHBondContact O-CB 3.37Å; S118-L122 WeakPolarHBondContact O-CG 3.37Å; S118-L122 PolarHBondContact O-N 3.01Å; V120-L122 PolarHBondContact O-N 3.25Å; L122-M125 WeakPolarHBondContact O-CB 2.95Å; L122-M125 PolarHBondContact O-N 3.38Å; L122-R126 PolarHBondContact O-N 2.82Å |
| 123 | N | 98.7 | Very high | 98 | Very high | 10 Ų | 10 | 29.6 Ų | 29.6 | 5% | 0.053 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68.3 | -37.6 | 173.4 | -81.8 | -72.1 | 0 | 0 | 0 | 112.2 | K119 M125 R126 G127 A156 | K119-N123 VanDerWaalsContact O-CB 3.28Å; K119-N123 WeakPolarHBondContact O-CB 3.38Å; K119-N123 PolarHBondContact O-N 3.29Å; K119-N123 PolarHBondContact O-ND2 3.14Å; N123-M125 VanDerWaalsContact C-N 3.32Å; N123-R126 WeakPolarHBondContact O-CB 3.46Å; N123-R126 PolarHBondContact O-N 2.99Å; N123-R126 PolarHBondContact OD1-NE 3.17Å; N123-R126 PolarHBondContact OD1-NH2 3.4Å; N123-G127 PolarHBondContact O-N 3.47Å; N123-A156 HydrophobicContact CB-CB 3.71Å |
| 124 | K | 98.7 | Very high | 98.1 | Very high | 37 Ų | 37 | 29 Ų | 29 | 16% | 0.161 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.3 | -47.5 | 170.9 | 177.2 | -167.3 | 169.9 | -67.3 | 0 | 110.4 | V120 F121 R126 G127 D128 Y153 A156 G172 L173 N176 | V120-K124 WeakPolarHBondContact O-CB 3.49Å; V120-K124 PolarHBondContact O-N 2.89Å; F121-K124 WeakPolarHBondContact O-CB 3.39Å; F121-K124 PolarHBondContact O-N 3.01Å; K124-R126 VanDerWaalsContact C-N 3.34Å; K124-R126 PolarHBondContact O-N 3.41Å; K124-G127 PolarHBondContact O-N 2.92Å; K124-D128 IonicContact NZ-OD2 4Å; K124-D128 PolarHBondContact NZ-OD2 3.49Å; K124-D128 PolarHBondContact O-N 3.45Å; K124-Y153 HydrophobicContact CG-CE1 4.46Å; K124-A156 HydrophobicContact CB-CB 4.48Å; K124-G172 WeakPolarHBondContact CE-O 3.46Å; K124-L173 HydrophobicContact CB-CD1 4.07Å; K124-L173 HydrophobicContact CD-CB 4.16Å; K124-L173 HydrophobicContact CG-CB 4.41Å; K124-L173 HydrophobicContact CG-CD1 4.05Å; K124-N176 WeakPolarHBondContact CE-ND2 3.28Å; K124-N176 PolarHBondContact NZ-ND2 3.36Å |
| 125 | M | 98.6 | Very high | 98.2 | Very high | 8 Ų | 8 | 25.3 Ų | 25.3 | 4% | 0.039 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.2 | -45.5 | 176.7 | -166.1 | 175.8 | -166.6 | 0 | 0 | 110.9 | I101 L105 F121 L122 N123 G127 D128 Y129 | I101-M125 HydrophobicContact CD1-CE 3.73Å; I101-M125 HydrophobicContact CD1-SD 4.12Å; I101-M125 HydrophobicContact CG1-CE 3.91Å; I101-M125 HydrophobicContact CG1-SD 4.37Å; L105-M125 HydrophobicContact CD1-CB 4.38Å; L105-M125 HydrophobicContact CD1-CG 4.28Å; L105-M125 HydrophobicContact CD2-SD 4.38Å; F121-M125 HydrophobicContact CE1-SD 4.44Å; F121-M125 WeakPolarHBondContact O-CB 3.41Å; F121-M125 PolarHBondContact O-N 3.23Å; L122-M125 WeakPolarHBondContact O-CB 2.95Å; L122-M125 PolarHBondContact O-N 3.38Å; N123-M125 VanDerWaalsContact C-N 3.32Å; M125-G127 VanDerWaalsContact C-N 3.32Å; M125-G127 PolarHBondContact O-N 3.08Å; M125-D128 WeakPolarHBondContact O-CB 3.39Å; M125-D128 PolarHBondContact O-N 3.01Å; M125-D128 VanDerWaalsContact O-N 3.11Å; M125-Y129 HydrophobicContact CE-CE2 3.74Å; M125-Y129 HydrophobicContact CG-CD2 3.9Å; M125-Y129 HydrophobicContact CG-CE2 3.71Å; M125-Y129 VanDerWaalsContact O-CD2 3.26Å; M125-Y129 WeakPolarHBondContact O-CD2 3.36Å; M125-Y129 PolarHBondContact O-N 2.95Å |
| 126 | R | 98.8 | Very high | 98.3 | Very high | 53 Ų | 53 | 23.9 Ų | 23.9 | 20% | 0.2 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -56 | -45.5 | 173.9 | -172.1 | 169.9 | 64.9 | 165.9 | 4.4 | 112.2 | L102 L105 D106 L122 N123 K124 D128 Y129 H130 A152 | L102-R126 HydrophobicContact CD2-CG 3.8Å; L105-R126 HydrophobicContact CD1-CB 3.98Å; D106-R126 WeakPolarHBondContact OD1-CD 3.47Å; D106-R126 IonicContact OD1-NH1 3.59Å; D106-R126 PolarHBondContact OD1-NH1 2.93Å; L122-R126 PolarHBondContact O-N 2.82Å; N123-R126 WeakPolarHBondContact O-CB 3.46Å; N123-R126 PolarHBondContact O-N 2.99Å; N123-R126 PolarHBondContact OD1-NE 3.17Å; N123-R126 PolarHBondContact OD1-NH2 3.4Å; K124-R126 VanDerWaalsContact C-N 3.34Å; K124-R126 PolarHBondContact O-N 3.41Å; R126-D128 VanDerWaalsContact C-N 3.35Å; R126-D128 PolarHBondContact O-N 3.21Å; R126-Y129 PolarHBondContact O-N 3.46Å; R126-H130 PolarHBondContact O-CD2 3.2Å; R126-H130 VanDerWaalsContact O-CD2 3.31Å; R126-H130 PolarHBondContact O-N 3.03Å; R126-H130 VanDerWaalsContact O-N 3.09Å; R126-A152 HydrophobicContact CB-CB 4.07Å; R126-A152 HydrophobicContact CG-CB 4Å |
| 127 | G | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -58.9 | -44.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N123 K124 M125 H130 R131 S149 | N123-G127 PolarHBondContact O-N 3.47Å; K124-G127 PolarHBondContact O-N 2.92Å; M125-G127 VanDerWaalsContact C-N 3.32Å; M125-G127 PolarHBondContact O-N 3.08Å; G127-H130 PolarHBondContact O-N 3.11Å; G127-R131 WeakPolarHBondContact O-CB 3.26Å; G127-R131 PolarHBondContact O-N 2.87Å; G127-S149 PolarHBondContact O-OG 3.4Å |
| 128 | D | 98.8 | Very high | 98.3 | Very high | 9 Ų | 9 | 23.6 Ų | 23.6 | 5% | 0.048 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.8 | -47 | 177.7 | -71.4 | -38.6 | 0 | 0 | 0 | 112.3 | K124 M125 R126 R131 Y132 Y153 N176 | K124-D128 IonicContact NZ-OD2 4Å; K124-D128 PolarHBondContact NZ-OD2 3.49Å; K124-D128 PolarHBondContact O-N 3.45Å; M125-D128 WeakPolarHBondContact O-CB 3.39Å; M125-D128 PolarHBondContact O-N 3.01Å; M125-D128 VanDerWaalsContact O-N 3.11Å; R126-D128 VanDerWaalsContact C-N 3.35Å; R126-D128 PolarHBondContact O-N 3.21Å; D128-R131 WeakPolarHBondContact O-CB 3.31Å; D128-R131 PolarHBondContact O-N 3.46Å; D128-R131 IonicContact OD1-NE 2.68Å; D128-R131 IonicContact OD1-NH2 3.4Å; D128-R131 PolarHBondContact OD1-NH2 3.41Å; D128-Y132 HydrophobicContact CB-CE2 4.14Å; D128-Y132 WeakPolarHBondContact O-CD1 3.26Å; D128-Y132 VanDerWaalsContact O-CD2 3.25Å; D128-Y132 WeakPolarHBondContact O-CD2 3.32Å; D128-Y132 PolarHBondContact O-N 3.48Å; D128-Y153 WeakPolarHBondContact CA-OH 3.49Å; D128-Y153 PolarHBondContact N-OH 3Å; D128-Y153 PolarHBondContact OD1-OH 3.37Å; D128-N176 WeakPolarHBondContact OD1-CB 3.34Å; D128-N176 PolarHBondContact OD1-ND2 2.93Å; D128-N176 PolarHBondContact OD2-ND2 3.43Å |
| 129 | Y | 98.8 | Very high | 98.3 | Very high | 8 Ų | 8 | 26.1 Ų | 26.1 | 3% | 0.031 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -72.6 | -32.8 | -178.8 | -78 | -83.5 | 0 | 0 | 0 | 113.5 | Y51 I55 I97 I101 M125 R126 R131 Y132 R133 | Y51-Y129 VanDerWaalsContact C-OH 3.26Å; Y51-Y129 VanDerWaalsContact CB-OH 3.25Å; Y51-Y129 WeakPolarHBondContact CB-OH 3.38Å; Y51-Y129 PolarHBondContact O-OH 3.38Å; I55-Y129 HydrophobicContact CB-CE1 4.13Å; I55-Y129 HydrophobicContact CD1-CD1 3.76Å; I55-Y129 HydrophobicContact CD1-CE1 3.58Å; I55-Y129 HydrophobicContact CG1-CE1 4.39Å; I55-Y129 HydrophobicContact CG2-CE1 3.87Å; I97-Y129 HydrophobicContact CG2-CE1 4.5Å; I101-Y129 HydrophobicContact CG1-CD2 4.06Å; I101-Y129 HydrophobicContact CG1-CE2 4.05Å; I101-Y129 HydrophobicContact CG2-CD1 3.29Å; I101-Y129 HydrophobicContact CG2-CD2 3.69Å; I101-Y129 HydrophobicContact CG2-CE1 3.64Å; I101-Y129 HydrophobicContact CG2-CE2 4.06Å; I101-Y129 HydrophobicContact CG2-CG 3.34Å; M125-Y129 HydrophobicContact CE-CE2 3.74Å; M125-Y129 HydrophobicContact CG-CD2 3.9Å; M125-Y129 HydrophobicContact CG-CE2 3.71Å; M125-Y129 VanDerWaalsContact O-CD2 3.26Å; M125-Y129 WeakPolarHBondContact O-CD2 3.36Å; M125-Y129 PolarHBondContact O-N 2.95Å; R126-Y129 PolarHBondContact O-N 3.46Å; Y129-R131 VanDerWaalsContact C-N 3.35Å; Y129-Y132 AromaticContact CD1-CD2 3.83Å; Y129-Y132 HydrophobicContact CD1-CD2 3.83Å; Y129-Y132 HydrophobicContact CD1-CE2 4.32Å; Y129-Y132 HydrophobicContact CE1-CD2 4.06Å; Y129-Y132 HydrophobicContact CE1-CE2 4.23Å; Y129-Y132 HydrophobicContact CG-CD2 4.19Å; Y129-Y132 PolarHBondContact O-N 2.9Å; Y129-R133 PolarHBondContact O-N 2.77Å |
| 130 | H | 98.9 | Very high | 98.2 | Very high | 18 Ų | 18 | 29.3 Ų | 29.3 | 8% | 0.083 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.8 | -35 | 167.9 | -80.8 | -68.3 | 0 | 0 | 0 | 112.6 | R126 G127 Y132 R133 A134 N148 | R126-H130 PolarHBondContact O-CD2 3.2Å; R126-H130 VanDerWaalsContact O-CD2 3.31Å; R126-H130 PolarHBondContact O-N 3.03Å; R126-H130 VanDerWaalsContact O-N 3.09Å; G127-H130 PolarHBondContact O-N 3.11Å; H130-Y132 VanDerWaalsContact C-N 3.35Å; H130-R133 WeakPolarHBondContact O-CB 3.49Å; H130-R133 PolarHBondContact O-N 2.62Å; H130-A134 PolarHBondContact O-N 3.45Å; H130-N148 HydrophobicContact CB-CB 4.32Å; H130-N148 WeakPolarHBondContact ND1-CB 3.01Å |
| 131 | R | 98.7 | Very high | 98.2 | Very high | 13 Ų | 13 | 35.7 Ų | 35.7 | 5% | 0.049 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.5 | -43.7 | 172.5 | 168.3 | 167.9 | 69 | 87 | 6.1 | 111.1 | G127 D128 Y129 R133 A134 E135 S149 Y153 F180 E183 I184 | G127-R131 WeakPolarHBondContact O-CB 3.26Å; G127-R131 PolarHBondContact O-N 2.87Å; D128-R131 WeakPolarHBondContact O-CB 3.31Å; D128-R131 PolarHBondContact O-N 3.46Å; D128-R131 IonicContact OD1-NE 2.68Å; D128-R131 IonicContact OD1-NH2 3.4Å; D128-R131 PolarHBondContact OD1-NH2 3.41Å; Y129-R131 VanDerWaalsContact C-N 3.35Å; R131-R133 VanDerWaalsContact C-N 3.34Å; R131-R133 PolarHBondContact O-N 3.3Å; R131-A134 WeakPolarHBondContact O-CB 3.4Å; R131-A134 PolarHBondContact O-N 2.91Å; R131-A134 VanDerWaalsContact O-N 3.16Å; R131-E135 PolarHBondContact O-N 3.17Å; R131-E135 VanDerWaalsContact O-N 3.12Å; R131-S149 PolarHBondContact N-OG 3.46Å; R131-Y153 PolarHBondContact NE-OH 3.05Å; R131-Y153 VanDerWaalsContact NE-OH 3.13Å; R131-F180 HydrophobicContact CB-CD2 4.2Å; R131-F180 HydrophobicContact CG-CD2 4.28Å; R131-E183 IonicContact NH1-OE2 3.64Å; R131-E183 PolarHBondContact NH1-OE2 3.09Å; R131-I184 HydrophobicContact CG-CD1 4.12Å; R131-I184 HydrophobicContact CG-CG1 3.72Å |
| 132 | Y | 98.6 | Very high | 98.2 | Very high | 26 Ų | 26 | 38.3 Ų | 38.3 | 10% | 0.102 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.4 | -42.9 | 175.4 | -56.1 | -29.7 | 0 | 0 | 0 | 111.3 | I55 R59 D128 Y129 H130 A134 E135 Y136 | I55-Y132 HydrophobicContact CD1-CD2 3.88Å; I55-Y132 HydrophobicContact CD1-CG 4.46Å; I55-Y132 HydrophobicContact CG1-CD2 4.32Å; I55-Y132 HydrophobicContact CG2-CD2 4.24Å; I55-Y132 HydrophobicContact CG2-CE2 4.04Å; R59-Y132 VanDerWaalsContact CZ-CD1 3.4Å; R59-Y132 VanDerWaalsContact CZ-CE1 3.47Å; R59-Y132 VanDerWaalsContact NE-CD1 3.32Å; D128-Y132 HydrophobicContact CB-CE2 4.14Å; D128-Y132 WeakPolarHBondContact O-CD1 3.26Å; D128-Y132 VanDerWaalsContact O-CD2 3.25Å; D128-Y132 WeakPolarHBondContact O-CD2 3.32Å; D128-Y132 PolarHBondContact O-N 3.48Å; Y129-Y132 AromaticContact CD1-CD2 3.83Å; Y129-Y132 HydrophobicContact CD1-CD2 3.83Å; Y129-Y132 HydrophobicContact CD1-CE2 4.32Å; Y129-Y132 HydrophobicContact CE1-CD2 4.06Å; Y129-Y132 HydrophobicContact CE1-CE2 4.23Å; Y129-Y132 HydrophobicContact CG-CD2 4.19Å; Y129-Y132 PolarHBondContact O-N 2.9Å; H130-Y132 VanDerWaalsContact C-N 3.35Å; Y132-A134 VanDerWaalsContact C-N 3.32Å; Y132-A134 PolarHBondContact O-N 3.37Å; Y132-E135 VanDerWaalsContact O-CB 3.27Å; Y132-E135 WeakPolarHBondContact O-CB 3.41Å; Y132-E135 PolarHBondContact O-N 2.9Å; Y132-E135 VanDerWaalsContact O-N 3.15Å; Y132-Y136 WeakPolarHBondContact O-CD1 3.5Å; Y132-Y136 WeakPolarHBondContact O-CE1 3.28Å |
| 133 | R | 98.5 | Very high | 98.2 | Very high | 50 Ų | 50 | 43.9 Ų | 43.9 | 19% | 0.189 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -54.7 | -45.7 | 170.9 | -82.2 | -178.4 | 155.6 | 173.4 | -6.7 | 113 | D95 C98 T99 Y129 H130 R131 E135 Y136 S137 A145 | D95-R133 IonicContact OD1-CZ 3.31Å; D95-R133 IonicContact OD1-NE 3.79Å; D95-R133 PolarHBondContact OD1-NE 3.31Å; D95-R133 IonicContact OD1-NH2 3.38Å; D95-R133 PolarHBondContact OD1-NH2 3.04Å; D95-R133 IonicContact OD2-NH2 2.67Å; C98-R133 HydrophobicContact CB-CG 3.73Å; T99-R133 PolarHBondContact OG1-NH2 3.21Å; Y129-R133 PolarHBondContact O-N 2.77Å; H130-R133 WeakPolarHBondContact O-CB 3.49Å; H130-R133 PolarHBondContact O-N 2.62Å; R131-R133 VanDerWaalsContact C-N 3.34Å; R131-R133 PolarHBondContact O-N 3.3Å; R133-E135 PolarHBondContact O-N 3.44Å; R133-Y136 VanDerWaalsContact CG-OH 3.31Å; R133-Y136 WeakPolarHBondContact CG-OH 3.47Å; R133-S137 WeakPolarHBondContact O-CB 3.41Å; R133-S137 PolarHBondContact O-N 2.86Å; R133-S137 PolarHBondContact O-OG 3.13Å; R133-A145 HydrophobicContact CB-CB 3.84Å |
| 134 | A | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.2 | -28.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | H130 R131 Y132 R142 A145 A146 I184 | H130-A134 PolarHBondContact O-N 3.45Å; R131-A134 WeakPolarHBondContact O-CB 3.4Å; R131-A134 PolarHBondContact O-N 2.91Å; R131-A134 VanDerWaalsContact O-N 3.16Å; Y132-A134 VanDerWaalsContact C-N 3.32Å; Y132-A134 PolarHBondContact O-N 3.37Å; A134-R142 PolarHBondContact O-NH1 3.19Å; A134-A145 HydrophobicContact CB-CB 3.83Å; A134-A146 HydrophobicContact CB-CB 4.45Å; A134-I184 HydrophobicContact CB-CD1 4.13Å; A134-I184 HydrophobicContact CB-CG1 4.48Å; A134-I184 HydrophobicContact CB-CG2 3.85Å |
| 135 | E | 97.5 | Very high | 98.1 | Very high | 33 Ų | 33 | 45.9 Ų | 45.9 | 15% | 0.154 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.6 | -46.1 | -179.6 | -171.1 | 176 | -166 | 0 | 0 | 112.3 | R59 W62 R63 R131 Y132 R133 | R59-E135 IonicContact CZ-OE2 3.93Å; R59-E135 IonicContact NE-OE2 3.24Å; R59-E135 PolarHBondContact NE-OE2 2.81Å; R59-E135 IonicContact NH2-OE1 3.64Å; R59-E135 PolarHBondContact NH2-OE1 3.07Å; R59-E135 IonicContact NH2-OE2 3.94Å; R59-E135 PolarHBondContact NH2-OE2 2.81Å; W62-E135 HydrophobicContact CE3-CG 4.42Å; W62-E135 HydrophobicContact CH2-CG 4.16Å; W62-E135 WeakPolarHBondContact CH2-O 3.39Å; W62-E135 HydrophobicContact CZ3-CG 3.68Å; R63-E135 IonicContact CZ-OE1 3.81Å; R63-E135 IonicContact NE-OE1 3.05Å; R63-E135 PolarHBondContact NE-OE1 2.98Å; R63-E135 IonicContact NH2-OE1 2.71Å; R63-E135 PolarHBondContact NH2-OE1 2.82Å; R63-E135 IonicContact NH2-OE2 3.28Å; R131-E135 PolarHBondContact O-N 3.17Å; R131-E135 VanDerWaalsContact O-N 3.12Å; Y132-E135 VanDerWaalsContact O-CB 3.27Å; Y132-E135 WeakPolarHBondContact O-CB 3.41Å; Y132-E135 PolarHBondContact O-N 2.9Å; Y132-E135 VanDerWaalsContact O-N 3.15Å; R133-E135 PolarHBondContact O-N 3.44Å |
| 136 | Y | 96.7 | Very high | 98.1 | Very high | 16 Ų | 16 | 46.1 Ų | 46.1 | 6% | 0.063 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -102.2 | -10 | -176.7 | 61.8 | -98 | 0 | 0 | 0 | 114.6 | W62 E91 L94 D95 Y132 R133 | W62-Y136 VanDerWaalsContact CE2-CB 3.48Å; E91-Y136 HydrophobicContact CB-CD2 4.35Å; E91-Y136 HydrophobicContact CG-CD2 4.18Å; E91-Y136 HydrophobicContact CG-CG 4.39Å; L94-Y136 HydrophobicContact CB-CD1 4.15Å; L94-Y136 HydrophobicContact CB-CE1 3.64Å; L94-Y136 HydrophobicContact CD1-CD1 3.76Å; L94-Y136 HydrophobicContact CD1-CE1 4.11Å; L94-Y136 HydrophobicContact CD1-CG 4.25Å; L94-Y136 HydrophobicContact CG-CE1 4.38Å; D95-Y136 VanDerWaalsContact CA-OH 3.23Å; D95-Y136 WeakPolarHBondContact CA-OH 3.43Å; D95-Y136 HydrophobicContact CB-CE2 4.35Å; D95-Y136 PolarHBondContact N-OH 3.36Å; Y132-Y136 WeakPolarHBondContact O-CD1 3.5Å; Y132-Y136 WeakPolarHBondContact O-CE1 3.28Å; R133-Y136 VanDerWaalsContact CG-OH 3.31Å; R133-Y136 WeakPolarHBondContact CG-OH 3.47Å |
| 137 | S | 97.8 | Very high | 98.1 | Very high | 17 Ų | 17 | 48.6 Ų | 48.6 | 12% | 0.119 | 25% | 0.251 | C | S | . | . | trans | -77.7 | 159 | 176.6 | -64.2 | 0 | 0 | 0 | 0 | 112.3 | R133 R142 | R133-S137 WeakPolarHBondContact O-CB 3.41Å; R133-S137 PolarHBondContact O-N 2.86Å; R133-S137 PolarHBondContact O-OG 3.13Å; S137-R142 WeakPolarHBondContact O-CB 3.37Å | ||
| 138 | V | 96 | Very high | 98.1 | Very high | 99 Ų | 99 | 52.4 Ų | 52.4 | 60% | 0.6 | 27% | 0.271 | S | S | * | . | trans | -129.9 | 161.6 | 176.6 | -63.2 | 0 | 0 | 0 | 0 | 111.5 | N140 Q141 R142 | V138-N140 PolarHBondContact O-N 2.58Å; V138-Q141 PolarHBondContact O-N 3.24Å; V138-R142 PolarHBondContact O-N 3.04Å | ||
| 139 | G | 96.8 | Very high | 98.1 | Very high | 57 Ų | 57 | 52 Ų | 52 | 59% | 0.588 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | 55.4 | -134.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q141 R142 K143 | G139-Q141 VanDerWaalsContact C-N 3.33Å; G139-Q141 PolarHBondContact O-N 2.98Å; G139-R142 WeakPolarHBondContact O-CB 3.44Å; G139-R142 PolarHBondContact O-N 3.32Å; G139-K143 PolarHBondContact O-N 3.22Å |
| 140 | N | 97.8 | Very high | 98.1 | Very high | 129 Ų | 129 | 53.5 Ų | 53.5 | 69% | 0.69 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -62.3 | -38.2 | -178.5 | -68.4 | -13.8 | 0 | 0 | 0 | 112.6 | V138 R142 K143 D144 | V138-N140 PolarHBondContact O-N 2.58Å; N140-R142 VanDerWaalsContact C-N 3.27Å; N140-R142 PolarHBondContact O-N 2.84Å; N140-K143 WeakPolarHBondContact O-CB 3.38Å; N140-K143 PolarHBondContact O-N 3.25Å; N140-D144 PolarHBondContact O-N 3.42Å |
| 141 | Q | 97.3 | Very high | 98.1 | Very high | 133 Ų | 133 | 56.4 Ų | 56.4 | 62% | 0.621 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -60.2 | -39.2 | 178.4 | -67.4 | 176.5 | -29.1 | 0 | 0 | 111.7 | V138 G139 A145 | V138-Q141 PolarHBondContact O-N 3.24Å; G139-Q141 VanDerWaalsContact C-N 3.33Å; G139-Q141 PolarHBondContact O-N 2.98Å; Q141-A145 VanDerWaalsContact O-CB 3.27Å; Q141-A145 WeakPolarHBondContact O-CB 3.24Å; Q141-A145 PolarHBondContact O-N 3.3Å |
| 142 | R | 98.3 | Very high | 98.1 | Very high | 81 Ų | 81 | 55.8 Ų | 55.8 | 31% | 0.306 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 174.5 | -175.8 | 177.2 | 175.9 | 103.9 | -2.4 | 111.5 | A134 S137 V138 G139 N140 A145 A146 | A134-R142 PolarHBondContact O-NH1 3.19Å; S137-R142 WeakPolarHBondContact O-CB 3.37Å; V138-R142 PolarHBondContact O-N 3.04Å; G139-R142 WeakPolarHBondContact O-CB 3.44Å; G139-R142 PolarHBondContact O-N 3.32Å; N140-R142 VanDerWaalsContact C-N 3.27Å; N140-R142 PolarHBondContact O-N 2.84Å; R142-A145 PolarHBondContact O-N 3.25Å; R142-A146 WeakPolarHBondContact O-CB 3.31Å; R142-A146 PolarHBondContact O-N 3.47Å |
| 143 | K | 98.4 | Very high | 98.1 | Very high | 124 Ų | 124 | 54.6 Ų | 54.6 | 54% | 0.539 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.9 | -49.8 | 179.9 | -175.9 | -180 | 170.6 | -175.7 | 0 | 110.8 | G139 N140 A145 A146 E147 | G139-K143 PolarHBondContact O-N 3.22Å; N140-K143 WeakPolarHBondContact O-CB 3.38Å; N140-K143 PolarHBondContact O-N 3.25Å; K143-A145 VanDerWaalsContact C-N 3.32Å; K143-A145 PolarHBondContact O-N 3.35Å; K143-A146 PolarHBondContact O-N 3.38Å; K143-A146 VanDerWaalsContact O-N 3.17Å; K143-E147 WeakPolarHBondContact CE-OE1 3.22Å; K143-E147 IonicContact NZ-OE1 3.47Å; K143-E147 WeakPolarHBondContact O-CG 3.41Å; K143-E147 PolarHBondContact O-N 3.1Å |
| 144 | D | 98.4 | Very high | 98.1 | Very high | 83 Ų | 83 | 57.2 Ų | 57.2 | 44% | 0.444 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.6 | -42 | 179.4 | -60.7 | -16.2 | 0 | 0 | 0 | 111.1 | N140 E147 N148 | N140-D144 PolarHBondContact O-N 3.42Å; D144-E147 PolarHBondContact O-N 3.4Å; D144-N148 WeakPolarHBondContact O-CB 3.47Å; D144-N148 PolarHBondContact O-N 3.46Å; D144-N148 PolarHBondContact O-ND2 3.15Å |
| 145 | A | 98.6 | Very high | 98.1 | Very high | 6 Ų | 6 | 61 Ų | 61 | 5% | 0.05 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R133 A134 Q141 R142 K143 S149 | R133-A145 HydrophobicContact CB-CB 3.84Å; A134-A145 HydrophobicContact CB-CB 3.83Å; Q141-A145 VanDerWaalsContact O-CB 3.27Å; Q141-A145 WeakPolarHBondContact O-CB 3.24Å; Q141-A145 PolarHBondContact O-N 3.3Å; R142-A145 PolarHBondContact O-N 3.25Å; K143-A145 VanDerWaalsContact C-N 3.32Å; K143-A145 PolarHBondContact O-N 3.35Å; A145-S149 VanDerWaalsContact O-CB 3.31Å; A145-S149 WeakPolarHBondContact O-CB 3.43Å; A145-S149 PolarHBondContact O-N 3.11Å |
| 146 | A | 98.7 | Very high | 98.2 | Very high | 13 Ų | 13 | 59.4 Ų | 59.4 | 11% | 0.107 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.7 | -41.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A134 R142 K143 S149 L150 F180 I184 | A134-A146 HydrophobicContact CB-CB 4.45Å; R142-A146 WeakPolarHBondContact O-CB 3.31Å; R142-A146 PolarHBondContact O-N 3.47Å; K143-A146 PolarHBondContact O-N 3.38Å; K143-A146 VanDerWaalsContact O-N 3.17Å; A146-S149 PolarHBondContact O-N 3.03Å; A146-L150 WeakPolarHBondContact O-CB 3.47Å; A146-L150 PolarHBondContact O-N 2.89Å; A146-F180 WeakPolarHBondContact O-CZ 3.44Å; A146-I184 HydrophobicContact CB-CG2 3.78Å |
| 147 | E | 98.7 | Very high | 98.3 | Very high | 105 Ų | 105 | 60.1 Ų | 60.1 | 49% | 0.491 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.5 | -44.7 | 176.9 | -73.5 | 177.3 | -177.9 | 0 | 0 | 111.8 | K143 D144 S149 L150 C151 | K143-E147 WeakPolarHBondContact CE-OE1 3.22Å; K143-E147 IonicContact NZ-OE1 3.47Å; K143-E147 WeakPolarHBondContact O-CG 3.41Å; K143-E147 PolarHBondContact O-N 3.1Å; D144-E147 PolarHBondContact O-N 3.4Å; E147-S149 PolarHBondContact O-N 2.99Å; E147-L150 PolarHBondContact O-N 3.39Å; E147-C151 WeakPolarHBondContact O-CB 3.24Å; E147-C151 PolarHBondContact O-N 3.25Å |
| 148 | N | 98.7 | Very high | 98.3 | Very high | 80 Ų | 80 | 64.9 Ų | 64.9 | 43% | 0.428 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.4 | -40 | 175.6 | -75.7 | -53.7 | 0 | 0 | 0 | 112.1 | H130 D144 C151 A152 | H130-N148 HydrophobicContact CB-CB 4.32Å; H130-N148 WeakPolarHBondContact ND1-CB 3.01Å; D144-N148 WeakPolarHBondContact O-CB 3.47Å; D144-N148 PolarHBondContact O-N 3.46Å; D144-N148 PolarHBondContact O-ND2 3.15Å; N148-C151 PolarHBondContact O-N 3.43Å; N148-A152 WeakPolarHBondContact O-CB 3.36Å; N148-A152 PolarHBondContact O-N 2.75Å |
| 149 | S | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.7 | -48.4 | 174.8 | -172.7 | 0 | 0 | 0 | 0 | 111.4 | G127 R131 A145 A146 E147 C151 A152 Y153 F180 | G127-S149 PolarHBondContact O-OG 3.4Å; R131-S149 PolarHBondContact N-OG 3.46Å; A145-S149 VanDerWaalsContact O-CB 3.31Å; A145-S149 WeakPolarHBondContact O-CB 3.43Å; A145-S149 PolarHBondContact O-N 3.11Å; A146-S149 PolarHBondContact O-N 3.03Å; E147-S149 PolarHBondContact O-N 2.99Å; S149-C151 VanDerWaalsContact C-N 3.35Å; S149-C151 PolarHBondContact O-N 3.39Å; S149-A152 PolarHBondContact O-N 3.4Å; S149-Y153 WeakPolarHBondContact O-CD2 3.3Å; S149-Y153 PolarHBondContact O-N 3.22Å; S149-Y153 WeakPolarHBondContact OG-CE2 3.46Å; S149-F180 WeakPolarHBondContact OG-CD2 3.43Å; S149-F180 WeakPolarHBondContact OG-CE2 3.41Å |
| 150 | L | 98.7 | Very high | 98.5 | Very high | 41 Ų | 41 | 58.2 Ų | 58.2 | 22% | 0.215 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.1 | -43.1 | 176.4 | 179.4 | 60.8 | 0 | 0 | 0 | 111.9 | A146 E147 Y153 K154 F177 F180 Y181 | A146-L150 WeakPolarHBondContact O-CB 3.47Å; A146-L150 PolarHBondContact O-N 2.89Å; E147-L150 PolarHBondContact O-N 3.39Å; L150-Y153 PolarHBondContact O-N 3.03Å; L150-K154 HydrophobicContact CD1-CD 4.26Å; L150-K154 HydrophobicContact CD1-CG 4.22Å; L150-K154 HydrophobicContact CG-CD 4.25Å; L150-K154 WeakPolarHBondContact O-CB 3.38Å; L150-K154 WeakPolarHBondContact O-CG 2.9Å; L150-K154 PolarHBondContact O-N 3.06Å; L150-F177 HydrophobicContact CD1-CE2 3.75Å; L150-F177 HydrophobicContact CD1-CZ 3.79Å; L150-F180 HydrophobicContact CB-CE1 3.95Å; L150-F180 HydrophobicContact CB-CZ 3.92Å; L150-F180 HydrophobicContact CD1-CE1 3.99Å; L150-Y181 HydrophobicContact CD1-CE1 4.43Å |
| 151 | C | 98.7 | Very high | 98.4 | Very high | 78 Ų | 78 | 58.3 Ų | 58.3 | 53% | 0.527 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.5 | -48.2 | 177.5 | -176.5 | 0 | 0 | 0 | 0 | 111.3 | E147 N148 S149 K154 K155 | E147-C151 WeakPolarHBondContact O-CB 3.24Å; E147-C151 PolarHBondContact O-N 3.25Å; N148-C151 PolarHBondContact O-N 3.43Å; S149-C151 VanDerWaalsContact C-N 3.35Å; S149-C151 PolarHBondContact O-N 3.39Å; C151-K154 PolarHBondContact O-N 3.2Å; C151-K155 WeakPolarHBondContact O-CB 3.42Å; C151-K155 PolarHBondContact O-N 3.46Å |
| 152 | A | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.008 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R126 N148 S149 K155 A156 | R126-A152 HydrophobicContact CB-CB 4.07Å; R126-A152 HydrophobicContact CG-CB 4Å; N148-A152 WeakPolarHBondContact O-CB 3.36Å; N148-A152 PolarHBondContact O-N 2.75Å; S149-A152 PolarHBondContact O-N 3.4Å; A152-K155 PolarHBondContact O-N 3.21Å; A152-A156 WeakPolarHBondContact O-CB 3.44Å; A152-A156 PolarHBondContact O-N 2.92Å |
| 153 | Y | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.3 | -40 | 176.2 | -74.1 | -52.1 | 0 | 0 | 0 | 112.9 | K124 D128 R131 S149 L150 K155 A156 A157 L173 N176 F177 F180 | K124-Y153 HydrophobicContact CG-CE1 4.46Å; D128-Y153 WeakPolarHBondContact CA-OH 3.49Å; D128-Y153 PolarHBondContact N-OH 3Å; D128-Y153 PolarHBondContact OD1-OH 3.37Å; R131-Y153 PolarHBondContact NE-OH 3.05Å; R131-Y153 VanDerWaalsContact NE-OH 3.13Å; S149-Y153 WeakPolarHBondContact O-CD2 3.3Å; S149-Y153 PolarHBondContact O-N 3.22Å; S149-Y153 WeakPolarHBondContact OG-CE2 3.46Å; L150-Y153 PolarHBondContact O-N 3.03Å; Y153-K155 VanDerWaalsContact C-N 3.34Å; Y153-A156 PolarHBondContact O-N 3.42Å; Y153-A157 WeakPolarHBondContact O-CB 3.45Å; Y153-A157 PolarHBondContact O-N 3.47Å; Y153-L173 HydrophobicContact CD1-CD1 3.7Å; Y153-L173 HydrophobicContact CE1-CD1 4.42Å; Y153-N176 HydrophobicContact CE1-CB 4.17Å; Y153-F177 VanDerWaalsContact CB-CD2 3.5Å; Y153-F177 VanDerWaalsContact CB-CE2 3.5Å; Y153-F177 HydrophobicContact CD1-CB 4.21Å; Y153-F177 HydrophobicContact CD1-CD2 4.48Å; Y153-F177 HydrophobicContact CD1-CG 4.37Å; Y153-F177 AromaticContact CD2-CD2 3.64Å; Y153-F177 HydrophobicContact CD2-CD2 3.64Å; Y153-F177 HydrophobicContact CD2-CE2 4.02Å; Y153-F177 HydrophobicContact CD2-CG 4.32Å; Y153-F177 HydrophobicContact CE2-CD2 4.45Å; Y153-F177 HydrophobicContact CG-CB 4.22Å; Y153-F177 AromaticContact CG-CD2 3.65Å; Y153-F177 HydrophobicContact CG-CD2 3.65Å; Y153-F177 HydrophobicContact CG-CE2 4.07Å; Y153-F177 AromaticContact CG-CG 3.91Å; Y153-F177 HydrophobicContact CG-CG 3.91Å; Y153-F180 HydrophobicContact CD2-CB 4.1Å; Y153-F180 HydrophobicContact CD2-CD1 4.18Å; Y153-F180 HydrophobicContact CD2-CD2 4.49Å; Y153-F180 AromaticContact CD2-CG 3.99Å; Y153-F180 HydrophobicContact CD2-CG 3.99Å; Y153-F180 HydrophobicContact CE2-CB 3.56Å; Y153-F180 HydrophobicContact CE2-CD1 4.4Å; Y153-F180 HydrophobicContact CE2-CD2 4.09Å; Y153-F180 AromaticContact CE2-CG 3.75Å; Y153-F180 HydrophobicContact CE2-CG 3.75Å |
| 154 | K | 98.7 | Very high | 98.3 | Very high | 105 Ų | 105 | 52 Ų | 52 | 46% | 0.457 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 173.6 | -78.2 | 179.9 | 173.9 | -179.9 | 0 | 111.3 | L150 C151 A156 A157 E158 F177 | L150-K154 HydrophobicContact CD1-CD 4.26Å; L150-K154 HydrophobicContact CD1-CG 4.22Å; L150-K154 HydrophobicContact CG-CD 4.25Å; L150-K154 WeakPolarHBondContact O-CB 3.38Å; L150-K154 WeakPolarHBondContact O-CG 2.9Å; L150-K154 PolarHBondContact O-N 3.06Å; C151-K154 PolarHBondContact O-N 3.2Å; K154-A156 VanDerWaalsContact C-N 3.34Å; K154-A156 PolarHBondContact O-N 3.41Å; K154-A157 WeakPolarHBondContact O-CB 3.48Å; K154-A157 PolarHBondContact O-N 3.21Å; K154-A157 VanDerWaalsContact O-N 3.11Å; K154-E158 WeakPolarHBondContact O-CG 3.41Å; K154-E158 PolarHBondContact O-N 2.98Å; K154-F177 HydrophobicContact CG-CZ 4.19Å |
| 155 | K | 98.4 | Very high | 98.2 | Very high | 79 Ų | 79 | 49.3 Ų | 49.3 | 34% | 0.343 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 177.1 | -176.9 | 63.6 | -164 | 156.5 | 0 | 111.9 | C151 A152 Y153 A157 E158 D159 | C151-K155 WeakPolarHBondContact O-CB 3.42Å; C151-K155 PolarHBondContact O-N 3.46Å; A152-K155 PolarHBondContact O-N 3.21Å; Y153-K155 VanDerWaalsContact C-N 3.34Å; K155-A157 VanDerWaalsContact C-N 3.29Å; K155-A157 PolarHBondContact O-N 3.47Å; K155-E158 IonicContact NZ-OE2 3.98Å; K155-E158 PolarHBondContact O-N 3.33Å; K155-D159 WeakPolarHBondContact CE-OD2 3.44Å; K155-D159 IonicContact NZ-OD1 3.69Å; K155-D159 IonicContact NZ-OD2 2.69Å; K155-D159 PolarHBondContact O-N 2.95Å |
| 156 | A | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.2 | -38.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V120 N123 K124 A152 Y153 K154 D159 A160 L173 | V120-A156 HydrophobicContact CG1-CB 4.45Å; N123-A156 HydrophobicContact CB-CB 3.71Å; K124-A156 HydrophobicContact CB-CB 4.48Å; A152-A156 WeakPolarHBondContact O-CB 3.44Å; A152-A156 PolarHBondContact O-N 2.92Å; Y153-A156 PolarHBondContact O-N 3.42Å; K154-A156 VanDerWaalsContact C-N 3.34Å; K154-A156 PolarHBondContact O-N 3.41Å; A156-D159 PolarHBondContact O-N 2.74Å; A156-A160 WeakPolarHBondContact O-CB 3.4Å; A156-A160 PolarHBondContact O-N 2.88Å; A156-L173 VanDerWaalsContact C-CD2 3.45Å; A156-L173 HydrophobicContact CB-CD1 3.67Å; A156-L173 HydrophobicContact CB-CD2 3.72Å; A156-L173 HydrophobicContact CB-CG 4.35Å; A156-L173 WeakPolarHBondContact O-CD2 3.41Å |
| 157 | A | 98.5 | Very high | 98 | Very high | 31 Ų | 31 | 50.1 Ų | 50.1 | 26% | 0.256 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.3 | -40.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y153 K154 K155 A160 E161 L173 | Y153-A157 WeakPolarHBondContact O-CB 3.45Å; Y153-A157 PolarHBondContact O-N 3.47Å; K154-A157 WeakPolarHBondContact O-CB 3.48Å; K154-A157 PolarHBondContact O-N 3.21Å; K154-A157 VanDerWaalsContact O-N 3.11Å; K155-A157 VanDerWaalsContact C-N 3.29Å; K155-A157 PolarHBondContact O-N 3.47Å; A157-A160 PolarHBondContact O-N 3.35Å; A157-E161 PolarHBondContact O-N 3.39Å; A157-L173 HydrophobicContact CB-CD2 4.18Å |
| 158 | E | 98.2 | Very high | 97.8 | Very high | 117 Ų | 117 | 46.2 Ų | 46.2 | 55% | 0.547 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.5 | -48.1 | 173.5 | -70.4 | 168.6 | -170.2 | 0 | 0 | 111.9 | K154 K155 A160 E161 | K154-E158 WeakPolarHBondContact O-CG 3.41Å; K154-E158 PolarHBondContact O-N 2.98Å; K155-E158 IonicContact NZ-OE2 3.98Å; K155-E158 PolarHBondContact O-N 3.33Å; E158-A160 VanDerWaalsContact C-N 3.27Å; E158-A160 PolarHBondContact O-N 3.17Å; E158-E161 PolarHBondContact O-N 2.98Å |
| 159 | D | 98 | Very high | 97.8 | Very high | 15 Ų | 15 | 43.4 Ų | 43.4 | 8% | 0.08 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69.6 | -27.9 | 178.8 | -72.5 | -42.2 | 0 | 0 | 0 | 111.8 | K119 V120 K155 A156 E161 K162 | K119-D159 HydrophobicContact CB-CB 4.38Å; V120-D159 VanDerWaalsContact CG2-C 3.48Å; V120-D159 HydrophobicContact CG2-CB 3.69Å; K155-D159 WeakPolarHBondContact CE-OD2 3.44Å; K155-D159 IonicContact NZ-OD1 3.69Å; K155-D159 IonicContact NZ-OD2 2.69Å; K155-D159 PolarHBondContact O-N 2.95Å; A156-D159 PolarHBondContact O-N 2.74Å; D159-E161 VanDerWaalsContact C-N 3.26Å; D159-E161 PolarHBondContact O-N 2.88Å; D159-K162 PolarHBondContact O-N 3.23Å; D159-K162 IonicContact OD1-NZ 3.03Å; D159-K162 PolarHBondContact OD1-NZ 2.77Å |
| 160 | A | 98.3 | Very high | 97.7 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 2% | 0.017 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -71.2 | -16.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | V120 A156 A157 E158 K162 L163 R170 L173 | V120-A160 HydrophobicContact CG1-CB 3.92Å; V120-A160 HydrophobicContact CG2-CB 3.88Å; V120-A160 VanDerWaalsContact CG2-N 3.34Å; A156-A160 WeakPolarHBondContact O-CB 3.4Å; A156-A160 PolarHBondContact O-N 2.88Å; A157-A160 PolarHBondContact O-N 3.35Å; E158-A160 VanDerWaalsContact C-N 3.27Å; E158-A160 PolarHBondContact O-N 3.17Å; A160-K162 PolarHBondContact O-N 3.44Å; A160-K162 VanDerWaalsContact O-N 3.14Å; A160-L163 PolarHBondContact O-N 2.98Å; A160-R170 HydrophobicContact CB-CB 4.46Å; A160-R170 HydrophobicContact CB-CG 4.1Å; A160-R170 WeakPolarHBondContact O-CD 3.26Å; A160-R170 PolarHBondContact O-NH1 2.98Å; A160-L173 HydrophobicContact CB-CD2 3.91Å |
| 161 | E | 97.8 | Very high | 97.7 | Very high | 130 Ų | 130 | 43.8 Ų | 43.8 | 61% | 0.607 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -20.4 | 172.7 | -69.4 | -54.2 | 142.8 | 0 | 0 | 112.9 | A157 E158 D159 L163 R170 | A157-E161 PolarHBondContact O-N 3.39Å; E158-E161 PolarHBondContact O-N 2.98Å; D159-E161 VanDerWaalsContact C-N 3.26Å; D159-E161 PolarHBondContact O-N 2.88Å; E161-L163 VanDerWaalsContact C-N 3.33Å; E161-R170 IonicContact OE1-NH2 2.99Å; E161-R170 PolarHBondContact OE1-NH2 3.26Å; E161-R170 IonicContact OE2-CZ 3.89Å; E161-R170 IonicContact OE2-NH1 3.89Å; E161-R170 IonicContact OE2-NH2 3.9Å; E161-R170 PolarHBondContact OE2-NH2 3.03Å |
| 162 | K | 97.6 | Very high | 97.7 | Very high | 117 Ų | 117 | 40.6 Ų | 40.6 | 51% | 0.509 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -7.5 | 176.2 | -56.1 | 168.6 | -171.8 | 158.4 | 0 | 113.3 | D116 D159 A160 | D116-K162 HydrophobicContact CB-CB 4.3Å; D116-K162 HydrophobicContact CB-CD 4.13Å; D116-K162 WeakPolarHBondContact OD1-CD 3.38Å; D116-K162 IonicContact OD1-NZ 2.8Å; D116-K162 PolarHBondContact OD1-NZ 3.03Å; D116-K162 VanDerWaalsContact OD2-CD 3.24Å; D116-K162 WeakPolarHBondContact OD2-CD 3.38Å; D159-K162 PolarHBondContact O-N 3.23Å; D159-K162 IonicContact OD1-NZ 3.03Å; D159-K162 PolarHBondContact OD1-NZ 2.77Å; A160-K162 PolarHBondContact O-N 3.44Å; A160-K162 VanDerWaalsContact O-N 3.14Å |
| 163 | L | 96.8 | Very high | 97.7 | Very high | 14 Ų | 14 | 40.8 Ų | 40.8 | 7% | 0.073 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -100.3 | 144.7 | 177.2 | -56.3 | -179.2 | 0 | 0 | 0 | 109.9 | D116 E117 V120 A160 E161 H167 I169 R170 | D116-L163 HydrophobicContact CB-CD2 4.4Å; E117-L163 HydrophobicContact CG-CD2 3.78Å; V120-L163 HydrophobicContact CB-CD1 4.21Å; V120-L163 HydrophobicContact CG1-CD1 4.41Å; V120-L163 HydrophobicContact CG2-CD1 3.94Å; A160-L163 PolarHBondContact O-N 2.98Å; E161-L163 VanDerWaalsContact C-N 3.33Å; L163-H167 HydrophobicContact CB-CB 4.06Å; L163-I169 HydrophobicContact CD1-CB 4.41Å; L163-I169 HydrophobicContact CD1-CG2 4.47Å; L163-R170 HydrophobicContact CB-CB 4.37Å; L163-R170 PolarHBondContact O-NH1 2.9Å |
| 164 | P | 95.9 | Very high | 97.7 | Very high | 74 Ų | 74 | 41.5 Ų | 41.5 | 48% | 0.481 | 21% | 0.21 | S | C | . | . | trans | -51.7 | 147.1 | 172 | -25.9 | 33.8 | 0 | 0 | 0 | 112.2 | T166 H167 R170 | P164-T166 PolarHBondContact O-N 3.5Å; P164-T166 VanDerWaalsContact O-N 3.16Å; P164-H167 HydrophobicContact CB-CB 4.38Å; P164-H167 WeakPolarHBondContact O-CB 3.32Å; P164-H167 PolarHBondContact O-N 3.04Å; P164-R170 WeakPolarHBondContact O-CD 3.11Å | ||
| 165 | V | 97 | Very high | 97.7 | Very high | 27 Ų | 27 | 37.4 Ų | 37.4 | 16% | 0.164 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -24.9 | 178.9 | -64.3 | 0 | 0 | 0 | 0 | 112.6 | S201 E205 | V165-S201 WeakPolarHBondContact CG2-O 3.2Å; V165-E205 HydrophobicContact CG2-CB 4.1Å; V165-E205 VanDerWaalsContact CG2-CD 3.42Å; V165-E205 HydrophobicContact CG2-CG 4.09Å; V165-E205 WeakPolarHBondContact CG2-OE2 3.18Å |
| 166 | T | 96.3 | Very high | 97.7 | Very high | 5 Ų | 5 | 35 Ų | 35 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -2 | 175.7 | 53.5 | 0 | 0 | 0 | 0 | 113.8 | P164 A202 E205 L209 S217 | P164-T166 PolarHBondContact O-N 3.5Å; P164-T166 VanDerWaalsContact O-N 3.16Å; T166-A202 HydrophobicContact CG2-CB 4.38Å; T166-E205 HydrophobicContact CG2-CB 3.78Å; T166-L209 HydrophobicContact CG2-CD1 4.45Å; T166-L209 HydrophobicContact CG2-CD2 4.42Å; T166-L209 HydrophobicContact CG2-CG 4.24Å; T166-L209 VanDerWaalsContact OG1-CD2 3.28Å; T166-L209 WeakPolarHBondContact OG1-CD2 3.42Å; T166-S217 WeakPolarHBondContact O-CB 3.4Å; T166-S217 PolarHBondContact O-OG 3.04Å |
| 167 | H | 95.9 | Very high | 97.7 | Very high | 31 Ų | 31 | 35.8 Ų | 35.8 | 14% | 0.144 | 19% | 0.188 | C | C | . | . | trans | -68.7 | 129.7 | -176.1 | -168.2 | -80.4 | 0 | 0 | 0 | 111.5 | E117 L163 P164 I169 R170 L171 | E117-H167 IonicContact OE1-NE2 2.84Å; E117-H167 PolarHBondContact OE1-NE2 3.47Å; L163-H167 HydrophobicContact CB-CB 4.06Å; P164-H167 HydrophobicContact CB-CB 4.38Å; P164-H167 WeakPolarHBondContact O-CB 3.32Å; P164-H167 PolarHBondContact O-N 3.04Å; H167-I169 VanDerWaalsContact C-N 3.29Å; H167-I169 PolarHBondContact ND1-N 3.26Å; H167-I169 VanDerWaalsContact ND1-N 3.19Å; H167-I169 PolarHBondContact O-N 3.1Å; H167-I169 VanDerWaalsContact O-N 3.16Å; H167-R170 HydrophobicContact CB-CB 4.26Å; H167-R170 PolarHBondContact O-N 3.23Å; H167-L171 PolarHBondContact O-N 3.31Å | ||
| 168 | P | 96.3 | Very high | 97.7 | Very high | 23 Ų | 23 | 34.3 Ų | 34.3 | 15% | 0.149 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -54.5 | -39.9 | -175.9 | -27.1 | 32 | 0 | 0 | 0 | 114.2 | G172 D216 S217 I220 | P168-G172 PolarHBondContact O-N 2.8Å; P168-D216 HydrophobicContact CB-CB 4.09Å; P168-D216 HydrophobicContact CG-CB 3.94Å; P168-S217 WeakPolarHBondContact CD-OG 3.5Å; P168-S217 WeakPolarHBondContact CG-OG 3.26Å; P168-I220 HydrophobicContact CB-CD1 4.07Å; P168-I220 VanDerWaalsContact O-CD1 3.26Å; P168-I220 WeakPolarHBondContact O-CD1 3.12Å |
| 169 | I | 97.4 | Very high | 97.7 | Very high | 21 Ų | 21 | 29.6 Ų | 29.6 | 11% | 0.108 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.3 | -40.1 | 177.9 | -59.9 | 177.7 | 0 | 0 | 0 | 111.8 | E117 V120 F121 L163 H167 G172 L173 | E117-I169 HydrophobicContact CB-CD1 4Å; E117-I169 HydrophobicContact CG-CD1 4.3Å; V120-I169 HydrophobicContact CB-CG2 3.95Å; V120-I169 HydrophobicContact CG1-CG2 3.59Å; F121-I169 HydrophobicContact CB-CD1 4.39Å; F121-I169 HydrophobicContact CB-CG2 4.29Å; F121-I169 HydrophobicContact CD2-CD1 4.2Å; F121-I169 HydrophobicContact CD2-CG1 4.4Å; L163-I169 HydrophobicContact CD1-CB 4.41Å; L163-I169 HydrophobicContact CD1-CG2 4.47Å; H167-I169 VanDerWaalsContact C-N 3.29Å; H167-I169 PolarHBondContact ND1-N 3.26Å; H167-I169 VanDerWaalsContact ND1-N 3.19Å; H167-I169 PolarHBondContact O-N 3.1Å; H167-I169 VanDerWaalsContact O-N 3.16Å; I169-G172 PolarHBondContact O-N 2.94Å; I169-L173 WeakPolarHBondContact O-CB 3.43Å; I169-L173 PolarHBondContact O-N 3.47Å |
| 170 | R | 98.1 | Very high | 97.8 | Very high | 47 Ų | 47 | 28.9 Ų | 28.9 | 18% | 0.177 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.7 | -44.2 | 179 | -180 | 170.5 | -175.1 | 168.2 | 7.9 | 110.8 | A160 E161 L163 P164 H167 L173 A174 | A160-R170 HydrophobicContact CB-CB 4.46Å; A160-R170 HydrophobicContact CB-CG 4.1Å; A160-R170 WeakPolarHBondContact O-CD 3.26Å; A160-R170 PolarHBondContact O-NH1 2.98Å; E161-R170 IonicContact OE1-NH2 2.99Å; E161-R170 PolarHBondContact OE1-NH2 3.26Å; E161-R170 IonicContact OE2-CZ 3.89Å; E161-R170 IonicContact OE2-NH1 3.89Å; E161-R170 IonicContact OE2-NH2 3.9Å; E161-R170 PolarHBondContact OE2-NH2 3.03Å; L163-R170 HydrophobicContact CB-CB 4.37Å; L163-R170 PolarHBondContact O-NH1 2.9Å; P164-R170 WeakPolarHBondContact O-CD 3.11Å; H167-R170 HydrophobicContact CB-CB 4.26Å; H167-R170 PolarHBondContact O-N 3.23Å; R170-L173 WeakPolarHBondContact O-CB 3.25Å; R170-L173 PolarHBondContact O-N 2.9Å; R170-A174 PolarHBondContact O-N 3.4Å |
| 171 | L | 98.4 | Very high | 97.8 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.8 | -45.6 | 173.3 | -73.8 | 172.3 | 0 | 0 | 0 | 111.8 | H167 L173 A174 L175 A202 I220 M221 L224 | H167-L171 PolarHBondContact O-N 3.31Å; L171-L173 VanDerWaalsContact C-N 3.29Å; L171-L173 PolarHBondContact O-N 2.71Å; L171-A174 PolarHBondContact O-N 2.81Å; L171-A174 VanDerWaalsContact O-N 3.17Å; L171-L175 PolarHBondContact O-N 2.87Å; L171-A202 HydrophobicContact CD1-CB 4.45Å; L171-A202 HydrophobicContact CD2-CB 3.72Å; L171-I220 HydrophobicContact CB-CB 4.18Å; L171-I220 HydrophobicContact CB-CD1 4.4Å; L171-I220 HydrophobicContact CB-CG2 3.66Å; L171-M221 HydrophobicContact CD1-CG 4Å; L171-M221 HydrophobicContact CD1-SD 4.43Å; L171-M221 HydrophobicContact CD2-CG 4.15Å; L171-L224 HydrophobicContact CD2-CD1 4.09Å |
| 172 | G | 98.3 | Very high | 97.8 | Very high | 11 Ų | 11 | 26.8 Ų | 26.8 | 11% | 0.113 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.7 | -34.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | K124 P168 I169 N176 | K124-G172 WeakPolarHBondContact CE-O 3.46Å; P168-G172 PolarHBondContact O-N 2.8Å; I169-G172 PolarHBondContact O-N 2.94Å; G172-N176 PolarHBondContact O-N 2.98Å; G172-N176 VanDerWaalsContact O-N 3.1Å |
| 173 | L | 98.8 | Very high | 97.8 | Very high | 6 Ų | 6 | 25 Ų | 25 | 3% | 0.031 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.7 | -50.4 | 170.9 | 169.8 | 64.2 | 0 | 0 | 0 | 111 | V120 K124 Y153 A156 A157 A160 I169 R170 L171 L175 N176 F177 | V120-L173 HydrophobicContact CG1-CB 4.49Å; V120-L173 HydrophobicContact CG1-CD2 4.05Å; K124-L173 HydrophobicContact CB-CD1 4.07Å; K124-L173 HydrophobicContact CD-CB 4.16Å; K124-L173 HydrophobicContact CG-CB 4.41Å; K124-L173 HydrophobicContact CG-CD1 4.05Å; Y153-L173 HydrophobicContact CD1-CD1 3.7Å; Y153-L173 HydrophobicContact CE1-CD1 4.42Å; A156-L173 VanDerWaalsContact C-CD2 3.45Å; A156-L173 HydrophobicContact CB-CD1 3.67Å; A156-L173 HydrophobicContact CB-CD2 3.72Å; A156-L173 HydrophobicContact CB-CG 4.35Å; A156-L173 WeakPolarHBondContact O-CD2 3.41Å; A157-L173 HydrophobicContact CB-CD2 4.18Å; A160-L173 HydrophobicContact CB-CD2 3.91Å; I169-L173 WeakPolarHBondContact O-CB 3.43Å; I169-L173 PolarHBondContact O-N 3.47Å; R170-L173 WeakPolarHBondContact O-CB 3.25Å; R170-L173 PolarHBondContact O-N 2.9Å; L171-L173 VanDerWaalsContact C-N 3.29Å; L171-L173 PolarHBondContact O-N 2.71Å; L173-L175 VanDerWaalsContact C-N 3.3Å; L173-L175 PolarHBondContact O-N 3.05Å; L173-N176 PolarHBondContact O-N 3.36Å; L173-F177 VanDerWaalsContact O-CB 3.25Å; L173-F177 WeakPolarHBondContact O-CB 3.17Å; L173-F177 PolarHBondContact O-N 3.31Å |
| 174 | A | 98.7 | Very high | 97.8 | Very high | 14 Ų | 14 | 24.9 Ų | 24.9 | 12% | 0.116 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.7 | -41.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R170 L171 F177 S178 A198 | R170-A174 PolarHBondContact O-N 3.4Å; L171-A174 PolarHBondContact O-N 2.81Å; L171-A174 VanDerWaalsContact O-N 3.17Å; A174-F177 PolarHBondContact O-N 2.95Å; A174-S178 VanDerWaalsContact O-CB 3.31Å; A174-S178 WeakPolarHBondContact O-CB 3.41Å; A174-S178 PolarHBondContact O-N 2.67Å; A174-S178 PolarHBondContact O-OG 3.28Å; A174-S178 VanDerWaalsContact O-OG 3.12Å; A174-A198 HydrophobicContact CB-CB 3.35Å |
| 175 | L | 98.7 | Very high | 97.9 | Very high | 19 Ų | 19 | 24.7 Ų | 24.7 | 10% | 0.099 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -56.3 | -54.6 | 174.5 | 177.1 | 63.6 | 0 | 0 | 0 | 110.9 | L171 L173 F177 S178 V179 I220 L223 L224 N227 | L171-L175 PolarHBondContact O-N 2.87Å; L173-L175 VanDerWaalsContact C-N 3.3Å; L173-L175 PolarHBondContact O-N 3.05Å; L175-F177 PolarHBondContact O-N 3.47Å; L175-S178 PolarHBondContact O-N 2.89Å; L175-S178 PolarHBondContact O-OG 3.32Å; L175-V179 WeakPolarHBondContact O-CG2 3.36Å; L175-V179 PolarHBondContact O-N 2.97Å; L175-V179 VanDerWaalsContact O-N 3.15Å; L175-I220 HydrophobicContact CB-CG2 4.24Å; L175-I220 HydrophobicContact CD2-CG2 4.17Å; L175-L223 HydrophobicContact CD1-CB 4.04Å; L175-L223 HydrophobicContact CD2-CB 3.9Å; L175-L223 HydrophobicContact CD2-CD1 3.85Å; L175-L224 HydrophobicContact CB-CD2 3.94Å; L175-L224 HydrophobicContact CB-CG 4.22Å; L175-L224 HydrophobicContact CD1-CD2 4.01Å; L175-L224 HydrophobicContact CD1-CG 4.19Å; L175-N227 VanDerWaalsContact CD1-ND2 3.28Å; L175-N227 WeakPolarHBondContact CD1-ND2 3.34Å |
| 176 | N | 98.6 | Very high | 97.9 | Very high | 29 Ų | 29 | 29.8 Ų | 29.8 | 16% | 0.155 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -70.8 | -34.1 | -175.9 | -75.9 | 18.4 | 0 | 0 | 0 | 113 | K124 D128 Y153 G172 L173 V179 F180 | K124-N176 WeakPolarHBondContact CE-ND2 3.28Å; K124-N176 PolarHBondContact NZ-ND2 3.36Å; D128-N176 WeakPolarHBondContact OD1-CB 3.34Å; D128-N176 PolarHBondContact OD1-ND2 2.93Å; D128-N176 PolarHBondContact OD2-ND2 3.43Å; Y153-N176 HydrophobicContact CE1-CB 4.17Å; G172-N176 PolarHBondContact O-N 2.98Å; G172-N176 VanDerWaalsContact O-N 3.1Å; L173-N176 PolarHBondContact O-N 3.36Å; N176-V179 PolarHBondContact O-N 3.18Å; N176-F180 PolarHBondContact O-N 2.91Å |
| 177 | F | 98.8 | Very high | 98 | Very high | 16 Ų | 16 | 32.6 Ų | 32.6 | 7% | 0.07 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -71.1 | -37.1 | 178.2 | -163.5 | -173.3 | 0 | 0 | 0 | 111.6 | L150 Y153 K154 L173 A174 L175 F180 Y181 | L150-F177 HydrophobicContact CD1-CE2 3.75Å; L150-F177 HydrophobicContact CD1-CZ 3.79Å; Y153-F177 VanDerWaalsContact CB-CD2 3.5Å; Y153-F177 VanDerWaalsContact CB-CE2 3.5Å; Y153-F177 HydrophobicContact CD1-CB 4.21Å; Y153-F177 HydrophobicContact CD1-CD2 4.48Å; Y153-F177 HydrophobicContact CD1-CG 4.37Å; Y153-F177 AromaticContact CD2-CD2 3.64Å; Y153-F177 HydrophobicContact CD2-CD2 3.64Å; Y153-F177 HydrophobicContact CD2-CE2 4.02Å; Y153-F177 HydrophobicContact CD2-CG 4.32Å; Y153-F177 HydrophobicContact CE2-CD2 4.45Å; Y153-F177 HydrophobicContact CG-CB 4.22Å; Y153-F177 AromaticContact CG-CD2 3.65Å; Y153-F177 HydrophobicContact CG-CD2 3.65Å; Y153-F177 HydrophobicContact CG-CE2 4.07Å; Y153-F177 AromaticContact CG-CG 3.91Å; Y153-F177 HydrophobicContact CG-CG 3.91Å; K154-F177 HydrophobicContact CG-CZ 4.19Å; L173-F177 VanDerWaalsContact O-CB 3.25Å; L173-F177 WeakPolarHBondContact O-CB 3.17Å; L173-F177 PolarHBondContact O-N 3.31Å; A174-F177 PolarHBondContact O-N 2.95Å; L175-F177 PolarHBondContact O-N 3.47Å; F177-F180 HydrophobicContact CD2-CB 4.36Å; F177-F180 AromaticContact CD2-CD1 3.86Å; F177-F180 HydrophobicContact CD2-CD1 3.86Å; F177-F180 HydrophobicContact CD2-CG 4.5Å; F177-F180 AromaticContact CE2-CD1 3.82Å; F177-F180 HydrophobicContact CE2-CD1 3.82Å; F177-F180 HydrophobicContact CE2-CE1 4.27Å; F177-F180 WeakPolarHBondContact O-CB 3.14Å; F177-F180 PolarHBondContact O-N 2.91Å; F177-Y181 HydrophobicContact CD1-CE2 4.19Å; F177-Y181 AromaticContact CD2-CD2 3.91Å; F177-Y181 HydrophobicContact CD2-CD2 3.91Å; F177-Y181 AromaticContact CD2-CE2 3.53Å; F177-Y181 HydrophobicContact CD2-CE2 3.53Å; F177-Y181 HydrophobicContact CE1-CE2 4.04Å; F177-Y181 HydrophobicContact CE2-CD2 4.08Å; F177-Y181 HydrophobicContact CE2-CE1 4.29Å; F177-Y181 AromaticContact CE2-CE2 3.35Å; F177-Y181 HydrophobicContact CE2-CE2 3.35Å; F177-Y181 AromaticContact CE2-CZ 3.47Å; F177-Y181 VanDerWaalsContact CE2-CZ 3.47Å; F177-Y181 HydrophobicContact CG-CD2 4.4Å; F177-Y181 AromaticContact CG-CE2 3.96Å; F177-Y181 HydrophobicContact CG-CE2 3.96Å; F177-Y181 AromaticContact CZ-CE2 3.63Å; F177-Y181 HydrophobicContact CZ-CE2 3.63Å; F177-Y181 AromaticContact CZ-CZ 3.6Å; F177-Y181 WeakPolarHBondContact CZ-OH 3.46Å; F177-Y181 WeakPolarHBondContact O-CD2 3.26Å; F177-Y181 PolarHBondContact O-N 3.33Å |
| 178 | S | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.9 | -42 | 172.1 | 68.3 | 0 | 0 | 0 | 0 | 111.9 | A174 L175 F180 Y181 Y182 A191 W231 | A174-S178 VanDerWaalsContact O-CB 3.31Å; A174-S178 WeakPolarHBondContact O-CB 3.41Å; A174-S178 PolarHBondContact O-N 2.67Å; A174-S178 PolarHBondContact O-OG 3.28Å; A174-S178 VanDerWaalsContact O-OG 3.12Å; L175-S178 PolarHBondContact O-N 2.89Å; L175-S178 PolarHBondContact O-OG 3.32Å; S178-F180 VanDerWaalsContact C-N 3.32Å; S178-F180 PolarHBondContact O-N 3.23Å; S178-Y181 PolarHBondContact O-N 2.86Å; S178-Y182 PolarHBondContact O-N 3.5Å; S178-A191 WeakPolarHBondContact CB-O 3.27Å; S178-A191 VanDerWaalsContact O-CB 3.26Å; S178-A191 WeakPolarHBondContact O-CB 3.47Å; S178-W231 WeakPolarHBondContact OG-CH2 3.15Å |
| 179 | V | 98.4 | Very high | 98 | Very high | 18 Ų | 18 | 39.2 Ų | 39.2 | 11% | 0.109 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.1 | -40 | 173.7 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | L175 N176 Y182 E183 W231 | L175-V179 WeakPolarHBondContact O-CG2 3.36Å; L175-V179 PolarHBondContact O-N 2.97Å; L175-V179 VanDerWaalsContact O-N 3.15Å; N176-V179 PolarHBondContact O-N 3.18Å; V179-Y182 PolarHBondContact O-N 3.4Å; V179-E183 VanDerWaalsContact CG1-CD 3.41Å; V179-E183 HydrophobicContact CG1-CG 3.91Å; V179-E183 VanDerWaalsContact CG1-OE2 3.29Å; V179-E183 WeakPolarHBondContact CG1-OE2 3.39Å; V179-E183 WeakPolarHBondContact O-CB 3.27Å; V179-E183 PolarHBondContact O-N 2.93Å; V179-W231 HydrophobicContact CG2-CH2 4.01Å; V179-W231 HydrophobicContact CG2-CZ2 4.03Å |
| 180 | F | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59 | -48.4 | 173.4 | 169.2 | -101.6 | 0 | 0 | 0 | 112.7 | R131 A146 S149 L150 Y153 N176 F177 S178 Y182 I184 L185 | R131-F180 HydrophobicContact CB-CD2 4.2Å; R131-F180 HydrophobicContact CG-CD2 4.28Å; A146-F180 WeakPolarHBondContact O-CZ 3.44Å; S149-F180 WeakPolarHBondContact OG-CD2 3.43Å; S149-F180 WeakPolarHBondContact OG-CE2 3.41Å; L150-F180 HydrophobicContact CB-CE1 3.95Å; L150-F180 HydrophobicContact CB-CZ 3.92Å; L150-F180 HydrophobicContact CD1-CE1 3.99Å; Y153-F180 HydrophobicContact CD2-CB 4.1Å; Y153-F180 HydrophobicContact CD2-CD1 4.18Å; Y153-F180 HydrophobicContact CD2-CD2 4.49Å; Y153-F180 AromaticContact CD2-CG 3.99Å; Y153-F180 HydrophobicContact CD2-CG 3.99Å; Y153-F180 HydrophobicContact CE2-CB 3.56Å; Y153-F180 HydrophobicContact CE2-CD1 4.4Å; Y153-F180 HydrophobicContact CE2-CD2 4.09Å; Y153-F180 AromaticContact CE2-CG 3.75Å; Y153-F180 HydrophobicContact CE2-CG 3.75Å; N176-F180 PolarHBondContact O-N 2.91Å; F177-F180 HydrophobicContact CD2-CB 4.36Å; F177-F180 AromaticContact CD2-CD1 3.86Å; F177-F180 HydrophobicContact CD2-CD1 3.86Å; F177-F180 HydrophobicContact CD2-CG 4.5Å; F177-F180 AromaticContact CE2-CD1 3.82Å; F177-F180 HydrophobicContact CE2-CD1 3.82Å; F177-F180 HydrophobicContact CE2-CE1 4.27Å; F177-F180 WeakPolarHBondContact O-CB 3.14Å; F177-F180 PolarHBondContact O-N 2.91Å; S178-F180 VanDerWaalsContact C-N 3.32Å; S178-F180 PolarHBondContact O-N 3.23Å; F180-Y182 PolarHBondContact O-N 3.27Å; F180-I184 HydrophobicContact CD2-CB 3.77Å; F180-I184 HydrophobicContact CD2-CG1 3.76Å; F180-I184 HydrophobicContact CD2-CG2 4.23Å; F180-I184 HydrophobicContact CE2-CB 3.76Å; F180-I184 HydrophobicContact CE2-CG1 4.12Å; F180-I184 HydrophobicContact CE2-CG2 3.71Å; F180-I184 HydrophobicContact CZ-CG2 4.48Å; F180-I184 WeakPolarHBondContact O-CB 3.33Å; F180-I184 PolarHBondContact O-N 3.31Å; F180-L185 HydrophobicContact CD1-CD1 4.21Å; F180-L185 HydrophobicContact CD1-CG 4.41Å; F180-L185 HydrophobicContact CE1-CD1 3.37Å; F180-L185 HydrophobicContact CE1-CD2 4.38Å; F180-L185 HydrophobicContact CE1-CG 3.67Å; F180-L185 HydrophobicContact CE2-CG 4.46Å; F180-L185 HydrophobicContact CZ-CD1 3.81Å; F180-L185 HydrophobicContact CZ-CD2 3.97Å; F180-L185 HydrophobicContact CZ-CG 3.7Å; F180-L185 PolarHBondContact O-N 3.39Å |
| 181 | Y | 98.6 | Very high | 98 | Very high | 26 Ų | 26 | 38.8 Ų | 38.8 | 10% | 0.102 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.1 | -41.1 | 177.2 | -78.8 | -62.3 | 0 | 0 | 0 | 111.5 | L150 F177 S178 L185 N186 N187 Q190 C194 | L150-Y181 HydrophobicContact CD1-CE1 4.43Å; F177-Y181 HydrophobicContact CD1-CE2 4.19Å; F177-Y181 AromaticContact CD2-CD2 3.91Å; F177-Y181 HydrophobicContact CD2-CD2 3.91Å; F177-Y181 AromaticContact CD2-CE2 3.53Å; F177-Y181 HydrophobicContact CD2-CE2 3.53Å; F177-Y181 HydrophobicContact CE1-CE2 4.04Å; F177-Y181 HydrophobicContact CE2-CD2 4.08Å; F177-Y181 HydrophobicContact CE2-CE1 4.29Å; F177-Y181 AromaticContact CE2-CE2 3.35Å; F177-Y181 HydrophobicContact CE2-CE2 3.35Å; F177-Y181 AromaticContact CE2-CZ 3.47Å; F177-Y181 VanDerWaalsContact CE2-CZ 3.47Å; F177-Y181 HydrophobicContact CG-CD2 4.4Å; F177-Y181 AromaticContact CG-CE2 3.96Å; F177-Y181 HydrophobicContact CG-CE2 3.96Å; F177-Y181 AromaticContact CZ-CE2 3.63Å; F177-Y181 HydrophobicContact CZ-CE2 3.63Å; F177-Y181 AromaticContact CZ-CZ 3.6Å; F177-Y181 WeakPolarHBondContact CZ-OH 3.46Å; F177-Y181 WeakPolarHBondContact O-CD2 3.26Å; F177-Y181 PolarHBondContact O-N 3.33Å; S178-Y181 PolarHBondContact O-N 2.86Å; Y181-L185 HydrophobicContact CD1-CD1 3.74Å; Y181-L185 HydrophobicContact CE1-CD1 3.94Å; Y181-L185 CarbonylContact O-C 3.5Å; Y181-N186 PolarHBondContact O-N 3.47Å; Y181-N187 PolarHBondContact O-N 2.93Å; Y181-Q190 HydrophobicContact CD1-CB 4.04Å; Y181-Q190 HydrophobicContact CD1-CG 3.53Å; Y181-Q190 HydrophobicContact CD2-CG 3.85Å; Y181-Q190 HydrophobicContact CE1-CB 4.41Å; Y181-Q190 HydrophobicContact CE1-CG 3.48Å; Y181-Q190 VanDerWaalsContact CE1-CG 3.48Å; Y181-Q190 HydrophobicContact CE2-CG 3.78Å; Y181-Q190 HydrophobicContact CG-CB 4.18Å; Y181-Q190 HydrophobicContact CG-CG 3.73Å; Y181-C194 HydrophobicContact CD2-CB 4.46Å |
| 182 | Y | 98.2 | Very high | 98 | Very high | 63 Ų | 63 | 39.2 Ų | 39.2 | 25% | 0.247 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70.6 | -59.9 | 179.5 | -170.7 | -99.2 | 0 | 0 | 0 | 112.4 | S178 V179 F180 N186 A191 W231 N234 | S178-Y182 PolarHBondContact O-N 3.5Å; V179-Y182 PolarHBondContact O-N 3.4Å; F180-Y182 PolarHBondContact O-N 3.27Å; Y182-N186 WeakPolarHBondContact O-CA 3.44Å; Y182-N186 PolarHBondContact O-N 3.47Å; Y182-A191 HydrophobicContact CD2-CB 4.49Å; Y182-W231 AromaticContact CD1-CD1 3.87Å; Y182-W231 AromaticContact CD1-CE2 3.88Å; Y182-W231 HydrophobicContact CD1-CZ2 4.35Å; Y182-W231 AromaticContact CD1-NE1 3.35Å; Y182-W231 HydrophobicContact CD2-CB 4.19Å; Y182-W231 AromaticContact CD2-CD1 3.53Å; Y182-W231 AromaticContact CD2-CD2 3.81Å; Y182-W231 HydrophobicContact CD2-CD2 3.81Å; Y182-W231 AromaticContact CD2-CE2 3.88Å; Y182-W231 AromaticContact CD2-CG 3.58Å; Y182-W231 HydrophobicContact CD2-CG 3.58Å; Y182-W231 AromaticContact CD2-NE1 3.7Å; Y182-W231 AromaticContact CE1-CD1 3.58Å; Y182-W231 AromaticContact CE1-NE1 3.43Å; Y182-W231 HydrophobicContact CE2-CB 3.91Å; Y182-W231 AromaticContact CE2-CD1 3.24Å; Y182-W231 HydrophobicContact CE2-CD2 4.25Å; Y182-W231 AromaticContact CE2-CG 3.53Å; Y182-W231 HydrophobicContact CE2-CG 3.53Å; Y182-W231 AromaticContact CE2-NE1 3.79Å; Y182-W231 AromaticContact CG-CD1 3.84Å; Y182-W231 HydrophobicContact CG-CD2 4.03Å; Y182-W231 AromaticContact CG-CE2 3.61Å; Y182-W231 HydrophobicContact CG-CG 4.15Å; Y182-W231 HydrophobicContact CG-CZ2 4.08Å; Y182-W231 AromaticContact CG-NE1 3.49Å; Y182-W231 AromaticContact CZ-CD1 3.26Å; Y182-W231 AromaticContact CZ-NE1 3.65Å; Y182-N234 PolarHBondContact OH-ND2 2.86Å |
| 183 | E | 96.6 | Very high | 98 | Very high | 78 Ų | 78 | 44.6 Ų | 44.6 | 36% | 0.364 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -78.4 | -32.5 | -168.7 | -64.8 | -176.3 | 157.7 | 0 | 0 | 114 | R131 V179 | R131-E183 IonicContact NH1-OE2 3.64Å; R131-E183 PolarHBondContact NH1-OE2 3.09Å; V179-E183 VanDerWaalsContact CG1-CD 3.41Å; V179-E183 HydrophobicContact CG1-CG 3.91Å; V179-E183 VanDerWaalsContact CG1-OE2 3.29Å; V179-E183 WeakPolarHBondContact CG1-OE2 3.39Å; V179-E183 WeakPolarHBondContact O-CB 3.27Å; V179-E183 PolarHBondContact O-N 2.93Å |
| 184 | I | 98.2 | Very high | 97.9 | Very high | 13 Ų | 13 | 45.4 Ų | 45.4 | 7% | 0.067 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -44.9 | -173.1 | -55.3 | -54 | 0 | 0 | 0 | 111.8 | R131 A134 A146 F180 | R131-I184 HydrophobicContact CG-CD1 4.12Å; R131-I184 HydrophobicContact CG-CG1 3.72Å; A134-I184 HydrophobicContact CB-CD1 4.13Å; A134-I184 HydrophobicContact CB-CG1 4.48Å; A134-I184 HydrophobicContact CB-CG2 3.85Å; A146-I184 HydrophobicContact CB-CG2 3.78Å; F180-I184 HydrophobicContact CD2-CB 3.77Å; F180-I184 HydrophobicContact CD2-CG1 3.76Å; F180-I184 HydrophobicContact CD2-CG2 4.23Å; F180-I184 HydrophobicContact CE2-CB 3.76Å; F180-I184 HydrophobicContact CE2-CG1 4.12Å; F180-I184 HydrophobicContact CE2-CG2 3.71Å; F180-I184 HydrophobicContact CZ-CG2 4.48Å; F180-I184 WeakPolarHBondContact O-CB 3.33Å; F180-I184 PolarHBondContact O-N 3.31Å |
| 185 | L | 97.7 | Very high | 97.9 | Very high | 70 Ų | 70 | 44.8 Ų | 44.8 | 37% | 0.366 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -3.7 | -178.1 | -61.6 | -172.8 | 0 | 0 | 0 | 113.5 | F180 Y181 N187 | F180-L185 HydrophobicContact CD1-CD1 4.21Å; F180-L185 HydrophobicContact CD1-CG 4.41Å; F180-L185 HydrophobicContact CE1-CD1 3.37Å; F180-L185 HydrophobicContact CE1-CD2 4.38Å; F180-L185 HydrophobicContact CE1-CG 3.67Å; F180-L185 HydrophobicContact CE2-CG 4.46Å; F180-L185 HydrophobicContact CZ-CD1 3.81Å; F180-L185 HydrophobicContact CZ-CD2 3.97Å; F180-L185 HydrophobicContact CZ-CG 3.7Å; F180-L185 PolarHBondContact O-N 3.39Å; Y181-L185 HydrophobicContact CD1-CD1 3.74Å; Y181-L185 HydrophobicContact CE1-CD1 3.94Å; Y181-L185 CarbonylContact O-C 3.5Å; L185-N187 HydrophobicContact CB-CB 4.26Å; L185-N187 PolarHBondContact O-N 3.45Å; L185-N187 VanDerWaalsContact O-N 3.11Å |
| 186 | N | 96.9 | Very high | 97.8 | Very high | 134 Ų | 134 | 49.5 Ų | 49.5 | 72% | 0.717 | 24% | 0.238 | S | C | * | . | trans | 49.4 | 35.5 | -175.7 | -61.8 | -39.9 | 0 | 0 | 0 | 112.4 | Y181 Y182 | Y181-N186 PolarHBondContact O-N 3.47Å; Y182-N186 WeakPolarHBondContact O-CA 3.44Å; Y182-N186 PolarHBondContact O-N 3.47Å | ||
| 187 | N | 97.3 | Very high | 97.8 | Very high | 64 Ų | 64 | 52.2 Ų | 52.2 | 34% | 0.342 | 26% | 0.256 | S | S | . | . | trans | -112 | 78.1 | -175.7 | -169.5 | -22.8 | 0 | 0 | 0 | 109.9 | Y181 L185 E189 Q190 A191 | Y181-N187 PolarHBondContact O-N 2.93Å; L185-N187 HydrophobicContact CB-CB 4.26Å; L185-N187 PolarHBondContact O-N 3.45Å; L185-N187 VanDerWaalsContact O-N 3.11Å; N187-E189 VanDerWaalsContact C-N 3.3Å; N187-E189 PolarHBondContact O-N 3.48Å; N187-Q190 HydrophobicContact CB-CB 4.32Å; N187-Q190 VanDerWaalsContact CG-CB 3.46Å; N187-Q190 PolarHBondContact O-N 2.84Å; N187-Q190 VanDerWaalsContact OD1-CB 3.26Å; N187-Q190 WeakPolarHBondContact OD1-CB 3.21Å; N187-Q190 PolarHBondContact OD1-N 2.9Å; N187-A191 WeakPolarHBondContact O-CB 3.48Å; N187-A191 PolarHBondContact O-N 3.12Å | ||
| 188 | S | 96.5 | Very high | 97.8 | Very high | 29 Ų | 29 | 52.3 Ų | 52.3 | 20% | 0.203 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.5 | -38.7 | -179.4 | -175.6 | 0 | 0 | 0 | 0 | 112.6 | A191 C192 S235 | S188-A191 PolarHBondContact O-N 3.38Å; S188-C192 WeakPolarHBondContact O-CB 3.42Å; S188-C192 PolarHBondContact O-N 3.36Å; S188-C192 PolarHBondContact O-SG 2.98Å; S188-S235 PolarHBondContact OG-OG 3.14Å |
| 189 | E | 96.4 | Very high | 97.7 | Very high | 163 Ų | 163 | 54.2 Ų | 54.2 | 76% | 0.762 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -60.3 | -51.1 | 178.8 | -175.7 | -176.1 | 173.2 | 0 | 0 | 111.4 | N187 C192 K193 | N187-E189 VanDerWaalsContact C-N 3.3Å; N187-E189 PolarHBondContact O-N 3.48Å; E189-C192 PolarHBondContact O-N 2.92Å; E189-K193 WeakPolarHBondContact O-CB 3.44Å; E189-K193 PolarHBondContact O-N 3.19Å |
| 190 | Q | 97.5 | Very high | 97.7 | Very high | 60 Ų | 60 | 57.4 Ų | 57.4 | 28% | 0.28 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.9 | -35.2 | 180 | -174.6 | 61.3 | 17.6 | 0 | 0 | 111.9 | Y181 N187 K193 C194 | Y181-Q190 HydrophobicContact CD1-CB 4.04Å; Y181-Q190 HydrophobicContact CD1-CG 3.53Å; Y181-Q190 HydrophobicContact CD2-CG 3.85Å; Y181-Q190 HydrophobicContact CE1-CB 4.41Å; Y181-Q190 HydrophobicContact CE1-CG 3.48Å; Y181-Q190 VanDerWaalsContact CE1-CG 3.48Å; Y181-Q190 HydrophobicContact CE2-CG 3.78Å; Y181-Q190 HydrophobicContact CG-CB 4.18Å; Y181-Q190 HydrophobicContact CG-CG 3.73Å; N187-Q190 HydrophobicContact CB-CB 4.32Å; N187-Q190 VanDerWaalsContact CG-CB 3.46Å; N187-Q190 PolarHBondContact O-N 2.84Å; N187-Q190 VanDerWaalsContact OD1-CB 3.26Å; N187-Q190 WeakPolarHBondContact OD1-CB 3.21Å; N187-Q190 PolarHBondContact OD1-N 2.9Å; Q190-K193 PolarHBondContact O-N 3.17Å; Q190-C194 VanDerWaalsContact O-CB 3.28Å; Q190-C194 WeakPolarHBondContact O-CB 3.4Å; Q190-C194 PolarHBondContact O-N 3.06Å |
| 191 | A | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.3 | -51 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | S178 Y182 N187 S188 K193 C194 A195 W231 | S178-A191 WeakPolarHBondContact CB-O 3.27Å; S178-A191 VanDerWaalsContact O-CB 3.26Å; S178-A191 WeakPolarHBondContact O-CB 3.47Å; Y182-A191 HydrophobicContact CD2-CB 4.49Å; N187-A191 WeakPolarHBondContact O-CB 3.48Å; N187-A191 PolarHBondContact O-N 3.12Å; S188-A191 PolarHBondContact O-N 3.38Å; A191-K193 PolarHBondContact O-N 3.16Å; A191-C194 PolarHBondContact O-N 3Å; A191-A195 PolarHBondContact O-N 3.49Å; A191-W231 HydrophobicContact CB-CE3 4.03Å; A191-W231 HydrophobicContact CB-CZ3 3.94Å |
| 192 | C | 98 | Very high | 97.5 | Very high | 11 Ų | 11 | 58.5 Ų | 58.5 | 7% | 0.074 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 178.4 | -68.6 | 0 | 0 | 0 | 0 | 111.8 | S188 E189 C194 A195 R196 L228 | S188-C192 WeakPolarHBondContact O-CB 3.42Å; S188-C192 PolarHBondContact O-N 3.36Å; S188-C192 PolarHBondContact O-SG 2.98Å; E189-C192 PolarHBondContact O-N 2.92Å; C192-C194 PolarHBondContact O-N 2.98Å; C192-A195 PolarHBondContact O-N 2.99Å; C192-R196 WeakPolarHBondContact O-CB 3.45Å; C192-R196 PolarHBondContact O-N 3.46Å; C192-L228 HydrophobicContact CB-CD2 4.15Å; C192-L228 WeakPolarHBondContact O-CD2 3.28Å |
| 193 | K | 97.7 | Very high | 97.4 | Very high | 123 Ų | 123 | 59.4 Ų | 59.4 | 54% | 0.535 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.6 | -47.3 | 175.9 | -178 | 179.1 | 177.3 | 179.6 | 0 | 111.4 | E189 Q190 A191 V197 | E189-K193 WeakPolarHBondContact O-CB 3.44Å; E189-K193 PolarHBondContact O-N 3.19Å; Q190-K193 PolarHBondContact O-N 3.17Å; A191-K193 PolarHBondContact O-N 3.16Å; K193-V197 WeakPolarHBondContact O-CB 3.45Å; K193-V197 VanDerWaalsContact O-CG2 3.27Å; K193-V197 WeakPolarHBondContact O-CG2 3.35Å; K193-V197 PolarHBondContact O-N 2.82Å |
| 194 | C | 97.6 | Very high | 97.4 | Very high | 24 Ų | 24 | 59.7 Ų | 59.7 | 16% | 0.162 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.6 | -50.1 | 179.1 | 179.3 | 0 | 0 | 0 | 0 | 111.7 | Y181 Q190 A191 C192 A198 | Y181-C194 HydrophobicContact CD2-CB 4.46Å; Q190-C194 VanDerWaalsContact O-CB 3.28Å; Q190-C194 WeakPolarHBondContact O-CB 3.4Å; Q190-C194 PolarHBondContact O-N 3.06Å; A191-C194 PolarHBondContact O-N 3Å; C192-C194 PolarHBondContact O-N 2.98Å; C194-A198 PolarHBondContact O-N 2.92Å |
| 195 | A | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.9 | -41 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A191 C192 A198 F199 L224 L228 W231 | A191-A195 PolarHBondContact O-N 3.49Å; C192-A195 PolarHBondContact O-N 2.99Å; A195-A198 PolarHBondContact O-N 3.31Å; A195-F199 WeakPolarHBondContact O-CB 3.18Å; A195-F199 PolarHBondContact O-N 2.89Å; A195-L224 HydrophobicContact CB-CD2 3.81Å; A195-L228 HydrophobicContact CB-CD1 4.28Å; A195-L228 HydrophobicContact CB-CD2 3.84Å; A195-L228 HydrophobicContact CB-CG 3.85Å; A195-W231 HydrophobicContact CB-CZ3 4.36Å |
| 196 | R | 97.8 | Very high | 96.9 | Very high | 118 Ų | 118 | 60.8 Ų | 60.8 | 45% | 0.445 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.4 | -47.1 | 179.8 | -174.9 | 177.7 | -59.4 | 134.4 | 4 | 112.1 | C192 A198 F199 D200 L228 | C192-R196 WeakPolarHBondContact O-CB 3.45Å; C192-R196 PolarHBondContact O-N 3.46Å; R196-A198 VanDerWaalsContact C-N 3.31Å; R196-A198 PolarHBondContact O-N 3.03Å; R196-F199 PolarHBondContact O-N 2.89Å; R196-D200 WeakPolarHBondContact CG-OD2 3.36Å; R196-D200 WeakPolarHBondContact O-CB 3.48Å; R196-D200 VanDerWaalsContact O-CG 3.25Å; R196-D200 PolarHBondContact O-N 3.26Å; R196-L228 HydrophobicContact CB-CD1 4.31Å; R196-L228 HydrophobicContact CB-CD2 4.15Å |
| 197 | V | 98.1 | Very high | 96.6 | Very high | 86 Ų | 86 | 62 Ų | 62 | 52% | 0.521 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57.9 | -46 | 177.7 | 169.1 | 0 | 0 | 0 | 0 | 110.7 | K193 S201 | K193-V197 WeakPolarHBondContact O-CB 3.45Å; K193-V197 VanDerWaalsContact O-CG2 3.27Å; K193-V197 WeakPolarHBondContact O-CG2 3.35Å; K193-V197 PolarHBondContact O-N 2.82Å; V197-S201 WeakPolarHBondContact O-CB 3.1Å; V197-S201 PolarHBondContact O-N 3.5Å; V197-S201 PolarHBondContact O-OG 3.26Å; V197-S201 VanDerWaalsContact O-OG 3.05Å |
| 198 | A | 98.1 | Very high | 96.2 | Very high | 18 Ų | 18 | 64 Ų | 64 | 15% | 0.149 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64 | -43.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A174 C194 A195 R196 A202 L224 | A174-A198 HydrophobicContact CB-CB 3.35Å; C194-A198 PolarHBondContact O-N 2.92Å; A195-A198 PolarHBondContact O-N 3.31Å; R196-A198 VanDerWaalsContact C-N 3.31Å; R196-A198 PolarHBondContact O-N 3.03Å; A198-A202 VanDerWaalsContact O-CB 3.27Å; A198-A202 WeakPolarHBondContact O-CB 3.18Å; A198-A202 PolarHBondContact O-N 3.49Å; A198-A202 VanDerWaalsContact O-N 3.07Å; A198-L224 HydrophobicContact CB-CD1 4.21Å |
| 199 | F | 97.8 | Very high | 95.7 | Very high | 41 Ų | 41 | 64.3 Ų | 64.3 | 18% | 0.18 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.3 | -48.8 | 178.2 | -175 | -89.7 | 0 | 0 | 0 | 111.9 | A195 R196 A202 I203 M221 L224 R225 | A195-F199 WeakPolarHBondContact O-CB 3.18Å; A195-F199 PolarHBondContact O-N 2.89Å; R196-F199 PolarHBondContact O-N 2.89Å; F199-A202 PolarHBondContact O-N 3.19Å; F199-I203 WeakPolarHBondContact O-CB 3.27Å; F199-I203 WeakPolarHBondContact O-CG2 3.44Å; F199-I203 PolarHBondContact O-N 3.32Å; F199-M221 HydrophobicContact CD2-CB 4.12Å; F199-M221 HydrophobicContact CD2-CE 4.4Å; F199-M221 WeakPolarHBondContact CD2-O 3.38Å; F199-M221 HydrophobicContact CE2-CB 4.1Å; F199-M221 HydrophobicContact CE2-CE 4.3Å; F199-M221 WeakPolarHBondContact CE2-O 3.28Å; F199-L224 HydrophobicContact CD2-CB 4.45Å; F199-R225 HydrophobicContact CD2-CB 4.34Å; F199-R225 HydrophobicContact CE2-CB 3.92Å; F199-R225 HydrophobicContact CZ-CB 4.48Å |
| 200 | D | 97.8 | Very high | 95.1 | Very high | 85 Ų | 85 | 59.6 Ų | 59.6 | 46% | 0.455 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.8 | -35.3 | -176.6 | -67.5 | -12.6 | 0 | 0 | 0 | 112.2 | R196 I203 A204 | R196-D200 WeakPolarHBondContact CG-OD2 3.36Å; R196-D200 WeakPolarHBondContact O-CB 3.48Å; R196-D200 VanDerWaalsContact O-CG 3.25Å; R196-D200 PolarHBondContact O-N 3.26Å; D200-I203 VanDerWaalsContact O-CG2 3.28Å; D200-I203 WeakPolarHBondContact O-CG2 3.45Å; D200-A204 PolarHBondContact O-N 3.24Å |
| 201 | S | 97 | Very high | 94.5 | Very high | 48 Ų | 48 | 65.6 Ų | 65.6 | 34% | 0.336 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -69.7 | -42 | 173.3 | -64.5 | 0 | 0 | 0 | 0 | 111.8 | V165 V197 A204 | V165-S201 WeakPolarHBondContact CG2-O 3.2Å; V197-S201 WeakPolarHBondContact O-CB 3.1Å; V197-S201 PolarHBondContact O-N 3.5Å; V197-S201 PolarHBondContact O-OG 3.26Å; V197-S201 VanDerWaalsContact O-OG 3.05Å; S201-A204 PolarHBondContact O-N 2.98Å |
| 202 | A | 96.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -71.8 | -37 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T166 L171 A198 F199 A204 E205 L206 M221 | T166-A202 HydrophobicContact CG2-CB 4.38Å; L171-A202 HydrophobicContact CD1-CB 4.45Å; L171-A202 HydrophobicContact CD2-CB 3.72Å; A198-A202 VanDerWaalsContact O-CB 3.27Å; A198-A202 WeakPolarHBondContact O-CB 3.18Å; A198-A202 PolarHBondContact O-N 3.49Å; A198-A202 VanDerWaalsContact O-N 3.07Å; F199-A202 PolarHBondContact O-N 3.19Å; A202-A204 VanDerWaalsContact C-N 3.27Å; A202-A204 PolarHBondContact O-N 2.61Å; A202-E205 CarbonylContact O-C 3.6Å; A202-E205 PolarHBondContact O-N 3.07Å; A202-L206 WeakPolarHBondContact O-CA 3.2Å; A202-L206 WeakPolarHBondContact O-CB 3.28Å; A202-L206 PolarHBondContact O-N 3.49Å; A202-M221 HydrophobicContact CB-CE 3.9Å; A202-M221 HydrophobicContact CB-CG 4.32Å; A202-M221 HydrophobicContact CB-SD 3.8Å |
| 203 | I | 95.9 | Very high | 93.2 | Very high | 83 Ų | 83 | 75 Ų | 75 | 43% | 0.426 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.1 | -34.2 | 177.2 | -164.1 | 68.4 | 0 | 0 | 0 | 111.6 | F199 D200 E205 L206 M221 | F199-I203 WeakPolarHBondContact O-CB 3.27Å; F199-I203 WeakPolarHBondContact O-CG2 3.44Å; F199-I203 PolarHBondContact O-N 3.32Å; D200-I203 VanDerWaalsContact O-CG2 3.28Å; D200-I203 WeakPolarHBondContact O-CG2 3.45Å; I203-E205 VanDerWaalsContact C-N 3.25Å; I203-E205 PolarHBondContact O-N 3.38Å; I203-L206 HydrophobicContact CD1-CD2 4.01Å; I203-L206 PolarHBondContact O-N 3.03Å; I203-M221 HydrophobicContact CB-CE 3.92Å; I203-M221 HydrophobicContact CD1-CE 3.94Å |
| 204 | A | 95.7 | Very high | 92.8 | Very high | 84 Ų | 84 | 74.4 Ų | 74.4 | 69% | 0.694 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -67.6 | -24.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | D200 S201 A202 | D200-A204 PolarHBondContact O-N 3.24Å; S201-A204 PolarHBondContact O-N 2.98Å; A202-A204 VanDerWaalsContact C-N 3.27Å; A202-A204 PolarHBondContact O-N 2.61Å |
| 205 | E | 95.2 | Very high | 92.6 | Very high | 88 Ų | 88 | 80 Ų | 80 | 41% | 0.411 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -114.5 | 4.1 | -178.5 | -67.9 | -175.3 | -151.9 | 0 | 0 | 112.8 | V165 T166 A202 I203 D207 T208 | V165-E205 HydrophobicContact CG2-CB 4.1Å; V165-E205 VanDerWaalsContact CG2-CD 3.42Å; V165-E205 HydrophobicContact CG2-CG 4.09Å; V165-E205 WeakPolarHBondContact CG2-OE2 3.18Å; T166-E205 HydrophobicContact CG2-CB 3.78Å; A202-E205 CarbonylContact O-C 3.6Å; A202-E205 PolarHBondContact O-N 3.07Å; I203-E205 VanDerWaalsContact C-N 3.25Å; I203-E205 PolarHBondContact O-N 3.38Å; E205-D207 VanDerWaalsContact C-N 3.27Å; E205-D207 PolarHBondContact O-N 3.46Å; E205-T208 WeakPolarHBondContact O-CB 3.48Å; E205-T208 PolarHBondContact O-N 2.84Å; E205-T208 PolarHBondContact O-OG1 3.1Å |
| 206 | L | 91 | Very high | 92.3 | Very high | 17 Ų | 17 | 84.3 Ų | 84.3 | 9% | 0.089 | 44% | 0.443 | C | S | . | . | G | 310 helix | trans | -61.2 | -35.9 | -170.2 | -170.5 | 65.6 | 0 | 0 | 0 | 112.9 | A202 I203 T208 L209 Y214 T218 M221 | A202-L206 WeakPolarHBondContact O-CA 3.2Å; A202-L206 WeakPolarHBondContact O-CB 3.28Å; A202-L206 PolarHBondContact O-N 3.49Å; I203-L206 HydrophobicContact CD1-CD2 4.01Å; I203-L206 PolarHBondContact O-N 3.03Å; L206-T208 PolarHBondContact O-N 3.22Å; L206-T208 VanDerWaalsContact O-N 3.1Å; L206-L209 HydrophobicContact CD1-CD1 3.69Å; L206-L209 WeakPolarHBondContact O-CB 3.28Å; L206-L209 PolarHBondContact O-N 3.21Å; L206-Y214 HydrophobicContact CD1-CE2 4.37Å; L206-Y214 HydrophobicContact CD2-CE2 4.41Å; L206-Y214 HydrophobicContact CG-CE2 4.04Å; L206-T218 HydrophobicContact CD1-CG2 4.16Å; L206-T218 HydrophobicContact CD2-CG2 4.27Å; L206-M221 HydrophobicContact CD1-CE 4.48Å; L206-M221 HydrophobicContact CD1-SD 3.8Å; L206-M221 HydrophobicContact CD2-CE 4.36Å |
| 207 | D | 90.1 | Very high | 92.2 | Very high | 160 Ų | 160 | 78.7 Ų | 78.7 | 86% | 0.856 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -66.7 | -9.9 | -179.9 | -65.4 | -24 | 0 | 0 | 0 | 113.3 | E205 | E205-D207 VanDerWaalsContact C-N 3.27Å; E205-D207 PolarHBondContact O-N 3.46Å |
| 208 | T | 88.2 | Confident | 92.1 | Very high | 106 Ų | 106 | 76.5 Ų | 76.5 | 65% | 0.65 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -91.2 | -7.5 | 178.8 | 71.8 | 0 | 0 | 0 | 0 | 113.7 | E205 L206 | E205-T208 WeakPolarHBondContact O-CB 3.48Å; E205-T208 PolarHBondContact O-N 2.84Å; E205-T208 PolarHBondContact O-OG1 3.1Å; L206-T208 PolarHBondContact O-N 3.22Å; L206-T208 VanDerWaalsContact O-N 3.1Å |
| 209 | L | 86.6 | Confident | 92 | Very high | 35 Ų | 35 | 79.8 Ų | 79.8 | 18% | 0.183 | 42% | 0.423 | C | S | . | . | trans | -71.9 | 146.4 | -175 | -79.5 | -176.6 | 0 | 0 | 0 | 113.2 | T166 L206 Y214 | T166-L209 HydrophobicContact CG2-CD1 4.45Å; T166-L209 HydrophobicContact CG2-CD2 4.42Å; T166-L209 HydrophobicContact CG2-CG 4.24Å; T166-L209 VanDerWaalsContact OG1-CD2 3.28Å; T166-L209 WeakPolarHBondContact OG1-CD2 3.42Å; L206-L209 HydrophobicContact CD1-CD1 3.69Å; L206-L209 WeakPolarHBondContact O-CB 3.28Å; L206-L209 PolarHBondContact O-N 3.21Å; L209-Y214 HydrophobicContact CB-CD2 4.22Å; L209-Y214 HydrophobicContact CD1-CD2 4.45Å | ||
| 210 | S | 85.1 | Confident | 92 | Very high | 65 Ų | 65 | 79.2 Ų | 79.2 | 46% | 0.455 | 42% | 0.421 | S | S | . | . | trans | -69.7 | 156.1 | 163.2 | 64.1 | 0 | 0 | 0 | 0 | 111.2 | E212 S213 Y214 | S210-E212 PolarHBondContact O-N 2.88Å; S210-S213 PolarHBondContact O-N 3.04Å; S210-Y214 WeakPolarHBondContact O-CB 3.33Å; S210-Y214 PolarHBondContact O-N 3.38Å | ||
| 211 | E | 84.2 | Confident | 92 | Very high | 186 Ų | 186 | 75.5 Ų | 75.5 | 87% | 0.869 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -56.6 | -34.9 | 177.5 | -168.9 | 175.6 | -177.8 | 0 | 0 | 112.6 | Y214 | E211-Y214 PolarHBondContact O-N 2.85Å |
| 212 | E | 82.1 | Confident | 92 | Very high | 172 Ų | 172 | 76.3 Ų | 76.3 | 80% | 0.804 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -62.3 | -46 | 179.6 | -172.9 | 177.4 | -173.4 | 0 | 0 | 112.7 | S210 | S210-E212 PolarHBondContact O-N 2.88Å |
| 213 | S | 86.7 | Confident | 92.1 | Very high | 35 Ų | 35 | 80.2 Ų | 80.2 | 25% | 0.245 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -83.6 | -23.7 | -179.7 | -67.5 | 0 | 0 | 0 | 0 | 113.1 | S210 K215 D216 S217 | S210-S213 PolarHBondContact O-N 3.04Å; S213-K215 VanDerWaalsContact C-N 3.33Å; S213-K215 PolarHBondContact O-N 2.68Å; S213-D216 PolarHBondContact O-N 3.11Å; S213-S217 WeakPolarHBondContact O-CB 2.82Å; S213-S217 PolarHBondContact O-N 2.9Å; S213-S217 PolarHBondContact O-OG 2.94Å |
| 214 | Y | 89.9 | Confident | 92.2 | Very high | 111 Ų | 111 | 76.2 Ų | 76.2 | 44% | 0.435 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -57.1 | -44.8 | -172.9 | -170.6 | -91 | 0 | 0 | 0 | 112.5 | L206 L209 S210 E211 T218 | L206-Y214 HydrophobicContact CD1-CE2 4.37Å; L206-Y214 HydrophobicContact CD2-CE2 4.41Å; L206-Y214 HydrophobicContact CG-CE2 4.04Å; L209-Y214 HydrophobicContact CB-CD2 4.22Å; L209-Y214 HydrophobicContact CD1-CD2 4.45Å; S210-Y214 WeakPolarHBondContact O-CB 3.33Å; S210-Y214 PolarHBondContact O-N 3.38Å; E211-Y214 PolarHBondContact O-N 2.85Å; Y214-T218 HydrophobicContact CD1-CG2 4.04Å; Y214-T218 HydrophobicContact CE1-CG2 3.75Å; Y214-T218 HydrophobicContact CE2-CG2 4.32Å; Y214-T218 HydrophobicContact CG-CG2 4.44Å; Y214-T218 WeakPolarHBondContact O-CB 3.48Å; Y214-T218 VanDerWaalsContact O-CG2 3.24Å; Y214-T218 WeakPolarHBondContact O-CG2 3.39Å; Y214-T218 PolarHBondContact O-N 3.38Å; Y214-T218 PolarHBondContact O-OG1 2.94Å |
| 215 | K | 92.1 | Very high | 92.3 | Very high | 142 Ų | 142 | 78 Ų | 78 | 62% | 0.617 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -63.7 | -48.7 | -178 | -175.7 | -178 | 175.8 | -173.9 | 0 | 112.2 | S213 T218 I219 | S213-K215 VanDerWaalsContact C-N 3.33Å; S213-K215 PolarHBondContact O-N 2.68Å; K215-T218 PolarHBondContact O-OG1 3.31Å; K215-T218 VanDerWaalsContact O-OG1 3.05Å; K215-I219 HydrophobicContact CG-CD1 4.13Å; K215-I219 WeakPolarHBondContact O-CD1 3.2Å; K215-I219 VanDerWaalsContact O-CG1 3.29Å; K215-I219 WeakPolarHBondContact O-CG1 3.21Å; K215-I219 PolarHBondContact O-N 3.03Å |
| 216 | D | 92.8 | Very high | 92.4 | Very high | 90 Ų | 90 | 77.2 Ų | 77.2 | 48% | 0.481 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -69.2 | -42.3 | -176.5 | -72.8 | -13.1 | 0 | 0 | 0 | 111.3 | P168 S213 I219 I220 | P168-D216 HydrophobicContact CB-CB 4.09Å; P168-D216 HydrophobicContact CG-CB 3.94Å; S213-D216 PolarHBondContact O-N 3.11Å; D216-I219 PolarHBondContact O-N 3.49Å; D216-I220 VanDerWaalsContact O-CG1 3.32Å; D216-I220 WeakPolarHBondContact O-CG1 3.5Å; D216-I220 PolarHBondContact O-N 2.75Å |
| 217 | S | 95.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64 | -43.7 | 178.4 | -64 | 0 | 0 | 0 | 0 | 112.4 | T166 P168 S213 I219 I220 M221 | T166-S217 WeakPolarHBondContact O-CB 3.4Å; T166-S217 PolarHBondContact O-OG 3.04Å; P168-S217 WeakPolarHBondContact CD-OG 3.5Å; P168-S217 WeakPolarHBondContact CG-OG 3.26Å; S213-S217 WeakPolarHBondContact O-CB 2.82Å; S213-S217 PolarHBondContact O-N 2.9Å; S213-S217 PolarHBondContact O-OG 2.94Å; S217-I219 PolarHBondContact O-N 3.5Å; S217-I220 PolarHBondContact O-N 3.11Å; S217-M221 WeakPolarHBondContact O-CB 3.46Å; S217-M221 VanDerWaalsContact O-CG 3.28Å; S217-M221 WeakPolarHBondContact O-CG 3.27Å; S217-M221 PolarHBondContact O-N 3.35Å |
| 218 | T | 95.9 | Very high | 93 | Very high | 40 Ų | 40 | 71.4 Ų | 71.4 | 25% | 0.245 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.2 | -36.9 | 179.7 | 50.8 | 0 | 0 | 0 | 0 | 112.8 | L206 Y214 K215 I220 M221 Q222 | L206-T218 HydrophobicContact CD1-CG2 4.16Å; L206-T218 HydrophobicContact CD2-CG2 4.27Å; Y214-T218 HydrophobicContact CD1-CG2 4.04Å; Y214-T218 HydrophobicContact CE1-CG2 3.75Å; Y214-T218 HydrophobicContact CE2-CG2 4.32Å; Y214-T218 HydrophobicContact CG-CG2 4.44Å; Y214-T218 WeakPolarHBondContact O-CB 3.48Å; Y214-T218 VanDerWaalsContact O-CG2 3.24Å; Y214-T218 WeakPolarHBondContact O-CG2 3.39Å; Y214-T218 PolarHBondContact O-N 3.38Å; Y214-T218 PolarHBondContact O-OG1 2.94Å; K215-T218 PolarHBondContact O-OG1 3.31Å; K215-T218 VanDerWaalsContact O-OG1 3.05Å; T218-I220 VanDerWaalsContact C-N 3.33Å; T218-I220 PolarHBondContact O-N 2.84Å; T218-M221 PolarHBondContact O-N 2.86Å; T218-Q222 WeakPolarHBondContact O-CB 3.39Å; T218-Q222 PolarHBondContact O-N 3.47Å |
| 219 | I | 96.4 | Very high | 93.4 | Very high | 88 Ų | 88 | 70.5 Ų | 70.5 | 45% | 0.451 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 173.1 | -69.5 | 166.9 | 0 | 0 | 0 | 110.6 | K215 D216 S217 Q222 L223 | K215-I219 HydrophobicContact CG-CD1 4.13Å; K215-I219 WeakPolarHBondContact O-CD1 3.2Å; K215-I219 VanDerWaalsContact O-CG1 3.29Å; K215-I219 WeakPolarHBondContact O-CG1 3.21Å; K215-I219 PolarHBondContact O-N 3.03Å; D216-I219 PolarHBondContact O-N 3.49Å; S217-I219 PolarHBondContact O-N 3.5Å; I219-Q222 WeakPolarHBondContact O-CB 3.47Å; I219-Q222 PolarHBondContact O-N 3.02Å; I219-L223 WeakPolarHBondContact O-CG 3.13Å; I219-L223 PolarHBondContact O-N 2.53Å; I219-L223 VanDerWaalsContact O-N 3.17Å |
| 220 | I | 97.6 | Very high | 93.7 | Very high | 28 Ų | 28 | 73 Ų | 73 | 14% | 0.144 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -69.9 | -40.5 | -179.7 | -60.3 | 165.8 | 0 | 0 | 0 | 111.2 | P168 L171 L175 D216 S217 T218 Q222 L223 L224 | P168-I220 HydrophobicContact CB-CD1 4.07Å; P168-I220 VanDerWaalsContact O-CD1 3.26Å; P168-I220 WeakPolarHBondContact O-CD1 3.12Å; L171-I220 HydrophobicContact CB-CB 4.18Å; L171-I220 HydrophobicContact CB-CD1 4.4Å; L171-I220 HydrophobicContact CB-CG2 3.66Å; L175-I220 HydrophobicContact CB-CG2 4.24Å; L175-I220 HydrophobicContact CD2-CG2 4.17Å; D216-I220 VanDerWaalsContact O-CG1 3.32Å; D216-I220 WeakPolarHBondContact O-CG1 3.5Å; D216-I220 PolarHBondContact O-N 2.75Å; S217-I220 PolarHBondContact O-N 3.11Å; T218-I220 VanDerWaalsContact C-N 3.33Å; T218-I220 PolarHBondContact O-N 2.84Å; I220-Q222 VanDerWaalsContact C-N 3.28Å; I220-Q222 PolarHBondContact O-N 3.42Å; I220-L223 WeakPolarHBondContact O-CB 3.4Å; I220-L223 PolarHBondContact O-N 3.4Å; I220-L224 HydrophobicContact CG2-CD1 4.47Å; I220-L224 PolarHBondContact O-N 2.87Å |
| 221 | M | 97.7 | Very high | 94.2 | Very high | 7 Ų | 7 | 70.3 Ų | 70.3 | 3% | 0.034 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.4 | -37.7 | 174.8 | -71.9 | 173.7 | 70.3 | 0 | 0 | 112 | L171 F199 A202 I203 L206 S217 T218 L224 R225 | L171-M221 HydrophobicContact CD1-CG 4Å; L171-M221 HydrophobicContact CD1-SD 4.43Å; L171-M221 HydrophobicContact CD2-CG 4.15Å; F199-M221 HydrophobicContact CD2-CB 4.12Å; F199-M221 HydrophobicContact CD2-CE 4.4Å; F199-M221 WeakPolarHBondContact CD2-O 3.38Å; F199-M221 HydrophobicContact CE2-CB 4.1Å; F199-M221 HydrophobicContact CE2-CE 4.3Å; F199-M221 WeakPolarHBondContact CE2-O 3.28Å; A202-M221 HydrophobicContact CB-CE 3.9Å; A202-M221 HydrophobicContact CB-CG 4.32Å; A202-M221 HydrophobicContact CB-SD 3.8Å; I203-M221 HydrophobicContact CB-CE 3.92Å; I203-M221 HydrophobicContact CD1-CE 3.94Å; L206-M221 HydrophobicContact CD1-CE 4.48Å; L206-M221 HydrophobicContact CD1-SD 3.8Å; L206-M221 HydrophobicContact CD2-CE 4.36Å; S217-M221 WeakPolarHBondContact O-CB 3.46Å; S217-M221 VanDerWaalsContact O-CG 3.28Å; S217-M221 WeakPolarHBondContact O-CG 3.27Å; S217-M221 PolarHBondContact O-N 3.35Å; T218-M221 PolarHBondContact O-N 2.86Å; M221-L224 WeakPolarHBondContact O-CB 3.49Å; M221-L224 PolarHBondContact O-N 3.44Å; M221-R225 PolarHBondContact O-N 3.11Å |
| 222 | Q | 97.7 | Very high | 94.5 | Very high | 66 Ų | 66 | 63.9 Ų | 63.9 | 31% | 0.308 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.6 | -46.3 | 173.9 | -180 | 52.1 | 45.6 | 0 | 0 | 111.2 | T218 I219 I220 L224 R225 D226 | T218-Q222 WeakPolarHBondContact O-CB 3.39Å; T218-Q222 PolarHBondContact O-N 3.47Å; I219-Q222 WeakPolarHBondContact O-CB 3.47Å; I219-Q222 PolarHBondContact O-N 3.02Å; I220-Q222 VanDerWaalsContact C-N 3.28Å; I220-Q222 PolarHBondContact O-N 3.42Å; Q222-L224 PolarHBondContact O-N 2.95Å; Q222-R225 WeakPolarHBondContact O-CB 3.32Å; Q222-R225 PolarHBondContact O-N 3.25Å; Q222-D226 PolarHBondContact NE2-OD1 2.9Å; Q222-D226 PolarHBondContact NE2-OD2 3.38Å; Q222-D226 PolarHBondContact O-N 3.07Å |
| 223 | L | 98.2 | Very high | 94.8 | Very high | 81 Ų | 81 | 58.4 Ų | 58.4 | 42% | 0.424 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63 | -38.9 | 176.1 | -65.7 | 172.1 | 0 | 0 | 0 | 112.8 | L175 I219 I220 D226 N227 | L175-L223 HydrophobicContact CD1-CB 4.04Å; L175-L223 HydrophobicContact CD2-CB 3.9Å; L175-L223 HydrophobicContact CD2-CD1 3.85Å; I219-L223 WeakPolarHBondContact O-CG 3.13Å; I219-L223 PolarHBondContact O-N 2.53Å; I219-L223 VanDerWaalsContact O-N 3.17Å; I220-L223 WeakPolarHBondContact O-CB 3.4Å; I220-L223 PolarHBondContact O-N 3.4Å; L223-D226 PolarHBondContact O-N 3.36Å; L223-N227 WeakPolarHBondContact O-CB 3.47Å; L223-N227 PolarHBondContact O-N 3.14Å |
| 224 | L | 98.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.3 | -45.5 | 174.1 | -78.5 | 167.7 | 0 | 0 | 0 | 111.5 | L171 L175 A195 A198 F199 I220 M221 Q222 N227 L228 | L171-L224 HydrophobicContact CD2-CD1 4.09Å; L175-L224 HydrophobicContact CB-CD2 3.94Å; L175-L224 HydrophobicContact CB-CG 4.22Å; L175-L224 HydrophobicContact CD1-CD2 4.01Å; L175-L224 HydrophobicContact CD1-CG 4.19Å; A195-L224 HydrophobicContact CB-CD2 3.81Å; A198-L224 HydrophobicContact CB-CD1 4.21Å; F199-L224 HydrophobicContact CD2-CB 4.45Å; I220-L224 HydrophobicContact CG2-CD1 4.47Å; I220-L224 PolarHBondContact O-N 2.87Å; M221-L224 WeakPolarHBondContact O-CB 3.49Å; M221-L224 PolarHBondContact O-N 3.44Å; Q222-L224 PolarHBondContact O-N 2.95Å; L224-N227 PolarHBondContact O-N 2.92Å; L224-L228 WeakPolarHBondContact O-CG 3.46Å; L224-L228 PolarHBondContact O-N 2.64Å |
| 225 | R | 97.5 | Very high | 93.1 | Very high | 121 Ų | 121 | 56.6 Ų | 56.6 | 46% | 0.457 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.2 | -45 | 176.8 | -172.2 | -174.2 | 74.7 | -173.9 | 4.7 | 111.7 | F199 M221 Q222 N227 L228 T229 | F199-R225 HydrophobicContact CD2-CB 4.34Å; F199-R225 HydrophobicContact CE2-CB 3.92Å; F199-R225 HydrophobicContact CZ-CB 4.48Å; M221-R225 PolarHBondContact O-N 3.11Å; Q222-R225 WeakPolarHBondContact O-CB 3.32Å; Q222-R225 PolarHBondContact O-N 3.25Å; R225-N227 VanDerWaalsContact C-N 3.34Å; R225-N227 PolarHBondContact O-N 3.16Å; R225-L228 WeakPolarHBondContact O-CB 3.38Å; R225-L228 PolarHBondContact O-N 2.95Å; R225-T229 PolarHBondContact O-N 3.34Å; R225-T229 PolarHBondContact O-OG1 2.93Å |
| 226 | D | 97.7 | Very high | 91.5 | Very high | 71 Ų | 71 | 56.2 Ų | 56.2 | 38% | 0.38 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.5 | -40 | -177.6 | -64.1 | -15.9 | 0 | 0 | 0 | 111.4 | Q222 L223 T229 L230 | Q222-D226 PolarHBondContact NE2-OD1 2.9Å; Q222-D226 PolarHBondContact NE2-OD2 3.38Å; Q222-D226 PolarHBondContact O-N 3.07Å; L223-D226 PolarHBondContact O-N 3.36Å; D226-T229 PolarHBondContact O-N 3.46Å; D226-L230 WeakPolarHBondContact O-CB 3.47Å; D226-L230 PolarHBondContact O-N 3.35Å |
| 227 | N | 96.8 | Very high | 89.5 | Confident | 35 Ų | 35 | 54.1 Ų | 54.1 | 19% | 0.187 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 171.8 | -79.9 | -5.6 | 0 | 0 | 0 | 112.3 | L175 L223 L224 R225 T229 L230 W231 | L175-N227 VanDerWaalsContact CD1-ND2 3.28Å; L175-N227 WeakPolarHBondContact CD1-ND2 3.34Å; L223-N227 WeakPolarHBondContact O-CB 3.47Å; L223-N227 PolarHBondContact O-N 3.14Å; L224-N227 PolarHBondContact O-N 2.92Å; R225-N227 VanDerWaalsContact C-N 3.34Å; R225-N227 PolarHBondContact O-N 3.16Å; N227-T229 VanDerWaalsContact C-N 3.34Å; N227-T229 PolarHBondContact O-N 3.32Å; N227-L230 PolarHBondContact O-N 3.05Å; N227-W231 HydrophobicContact CB-CD2 4.25Å; N227-W231 HydrophobicContact CB-CE3 4.11Å; N227-W231 HydrophobicContact CB-CH2 3.64Å; N227-W231 HydrophobicContact CB-CZ2 3.78Å; N227-W231 HydrophobicContact CB-CZ3 3.8Å; N227-W231 WeakPolarHBondContact O-CB 3.24Å; N227-W231 VanDerWaalsContact O-CD2 3.22Å; N227-W231 PolarHBondContact O-N 2.97Å |
| 228 | L | 96.7 | Very high | 87.3 | Confident | 21 Ų | 21 | 61 Ų | 61 | 11% | 0.11 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.1 | -49.2 | 176.5 | -77.8 | 167.4 | 0 | 0 | 0 | 110.9 | C192 A195 R196 L224 R225 L230 W231 T232 | C192-L228 HydrophobicContact CB-CD2 4.15Å; C192-L228 WeakPolarHBondContact O-CD2 3.28Å; A195-L228 HydrophobicContact CB-CD1 4.28Å; A195-L228 HydrophobicContact CB-CD2 3.84Å; A195-L228 HydrophobicContact CB-CG 3.85Å; R196-L228 HydrophobicContact CB-CD1 4.31Å; R196-L228 HydrophobicContact CB-CD2 4.15Å; L224-L228 WeakPolarHBondContact O-CG 3.46Å; L224-L228 PolarHBondContact O-N 2.64Å; R225-L228 WeakPolarHBondContact O-CB 3.38Å; R225-L228 PolarHBondContact O-N 2.95Å; L228-L230 PolarHBondContact O-N 3.23Å; L228-W231 PolarHBondContact O-N 3.4Å; L228-T232 WeakPolarHBondContact O-CB 3.36Å; L228-T232 WeakPolarHBondContact O-CG2 3.24Å; L228-T232 PolarHBondContact O-N 3.42Å; L228-T232 PolarHBondContact O-OG1 3.19Å |
| 229 | T | 95.8 | Very high | 84.6 | Confident | 87 Ų | 87 | 66.4 Ų | 66.4 | 53% | 0.534 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -56.7 | -49.6 | 177.9 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | R225 D226 N227 W231 T232 S233 | R225-T229 PolarHBondContact O-N 3.34Å; R225-T229 PolarHBondContact O-OG1 2.93Å; D226-T229 PolarHBondContact O-N 3.46Å; N227-T229 VanDerWaalsContact C-N 3.34Å; N227-T229 PolarHBondContact O-N 3.32Å; T229-W231 PolarHBondContact O-N 3.5Å; T229-T232 PolarHBondContact O-N 3.12Å; T229-T232 PolarHBondContact O-OG1 3.05Å; T229-T232 VanDerWaalsContact O-OG1 3.06Å; T229-S233 PolarHBondContact O-N 3.49Å; T229-S233 PolarHBondContact O-OG 2.88Å |
| 230 | L | 94.2 | Very high | 81.9 | Confident | 88 Ų | 88 | 68.6 Ų | 68.6 | 46% | 0.461 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60 | -45.3 | -179.4 | -180 | 66.2 | 0 | 0 | 0 | 112.7 | D226 N227 L228 S233 N234 | D226-L230 WeakPolarHBondContact O-CB 3.47Å; D226-L230 PolarHBondContact O-N 3.35Å; N227-L230 PolarHBondContact O-N 3.05Å; L228-L230 PolarHBondContact O-N 3.23Å; L230-S233 PolarHBondContact O-OG 3.03Å; L230-N234 VanDerWaalsContact O-CG 3.26Å; L230-N234 PolarHBondContact O-N 3.25Å; L230-N234 PolarHBondContact O-OD1 3.36Å |
| 231 | W | 94.7 | Very high | 79.2 | Confident | 8 Ų | 8 | 73.3 Ų | 73.3 | 3% | 0.03 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -77.2 | -30.7 | -175.4 | -57.9 | -25.7 | 0 | 0 | 0 | 112.6 | S178 V179 Y182 A191 A195 N227 L228 T229 S235 | S178-W231 WeakPolarHBondContact OG-CH2 3.15Å; V179-W231 HydrophobicContact CG2-CH2 4.01Å; V179-W231 HydrophobicContact CG2-CZ2 4.03Å; Y182-W231 AromaticContact CD1-CD1 3.87Å; Y182-W231 AromaticContact CD1-CE2 3.88Å; Y182-W231 HydrophobicContact CD1-CZ2 4.35Å; Y182-W231 AromaticContact CD1-NE1 3.35Å; Y182-W231 HydrophobicContact CD2-CB 4.19Å; Y182-W231 AromaticContact CD2-CD1 3.53Å; Y182-W231 AromaticContact CD2-CD2 3.81Å; Y182-W231 HydrophobicContact CD2-CD2 3.81Å; Y182-W231 AromaticContact CD2-CE2 3.88Å; Y182-W231 AromaticContact CD2-CG 3.58Å; Y182-W231 HydrophobicContact CD2-CG 3.58Å; Y182-W231 AromaticContact CD2-NE1 3.7Å; Y182-W231 AromaticContact CE1-CD1 3.58Å; Y182-W231 AromaticContact CE1-NE1 3.43Å; Y182-W231 HydrophobicContact CE2-CB 3.91Å; Y182-W231 AromaticContact CE2-CD1 3.24Å; Y182-W231 HydrophobicContact CE2-CD2 4.25Å; Y182-W231 AromaticContact CE2-CG 3.53Å; Y182-W231 HydrophobicContact CE2-CG 3.53Å; Y182-W231 AromaticContact CE2-NE1 3.79Å; Y182-W231 AromaticContact CG-CD1 3.84Å; Y182-W231 HydrophobicContact CG-CD2 4.03Å; Y182-W231 AromaticContact CG-CE2 3.61Å; Y182-W231 HydrophobicContact CG-CG 4.15Å; Y182-W231 HydrophobicContact CG-CZ2 4.08Å; Y182-W231 AromaticContact CG-NE1 3.49Å; Y182-W231 AromaticContact CZ-CD1 3.26Å; Y182-W231 AromaticContact CZ-NE1 3.65Å; A191-W231 HydrophobicContact CB-CE3 4.03Å; A191-W231 HydrophobicContact CB-CZ3 3.94Å; A195-W231 HydrophobicContact CB-CZ3 4.36Å; N227-W231 HydrophobicContact CB-CD2 4.25Å; N227-W231 HydrophobicContact CB-CE3 4.11Å; N227-W231 HydrophobicContact CB-CH2 3.64Å; N227-W231 HydrophobicContact CB-CZ2 3.78Å; N227-W231 HydrophobicContact CB-CZ3 3.8Å; N227-W231 WeakPolarHBondContact O-CB 3.24Å; N227-W231 VanDerWaalsContact O-CD2 3.22Å; N227-W231 PolarHBondContact O-N 2.97Å; L228-W231 PolarHBondContact O-N 3.4Å; T229-W231 PolarHBondContact O-N 3.5Å; W231-S235 PolarHBondContact O-N 3.42Å; W231-S235 PolarHBondContact O-OG 3.34Å |
| 232 | T | 90.9 | Very high | 76.2 | Confident | 50 Ų | 50 | 76.6 Ų | 76.6 | 31% | 0.307 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -72.1 | -39.4 | 173.8 | 53.2 | 0 | 0 | 0 | 0 | 112.4 | L228 T229 N234 S235 E236 | L228-T232 WeakPolarHBondContact O-CB 3.36Å; L228-T232 WeakPolarHBondContact O-CG2 3.24Å; L228-T232 PolarHBondContact O-N 3.42Å; L228-T232 PolarHBondContact O-OG1 3.19Å; T229-T232 PolarHBondContact O-N 3.12Å; T229-T232 PolarHBondContact O-OG1 3.05Å; T229-T232 VanDerWaalsContact O-OG1 3.06Å; T232-N234 VanDerWaalsContact C-N 3.32Å; T232-N234 PolarHBondContact O-N 3.46Å; T232-S235 PolarHBondContact O-N 2.98Å; T232-E236 PolarHBondContact O-N 3.26Å |
| 233 | S | 87 | Confident | 73.3 | Confident | 58 Ų | 58 | 78.1 Ų | 78.1 | 41% | 0.406 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65 | -37 | 177.5 | 59.7 | 0 | 0 | 0 | 0 | 112.4 | T229 L230 S235 E236 G237 | T229-S233 PolarHBondContact O-N 3.49Å; T229-S233 PolarHBondContact O-OG 2.88Å; L230-S233 PolarHBondContact O-OG 3.03Å; S233-S235 VanDerWaalsContact C-N 3.3Å; S233-S235 PolarHBondContact O-N 3.31Å; S233-E236 PolarHBondContact O-N 3.24Å; S233-G237 PolarHBondContact O-N 3.41Å |
| 234 | N | 76.2 | Confident | 70.5 | Confident | 70 Ų | 70 | 80 Ų | 80 | 37% | 0.374 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.2 | -34.4 | 176.9 | -69.6 | -5.1 | 0 | 0 | 0 | 111.8 | Y182 L230 T232 E236 G237 E238 | Y182-N234 PolarHBondContact OH-ND2 2.86Å; L230-N234 VanDerWaalsContact O-CG 3.26Å; L230-N234 PolarHBondContact O-N 3.25Å; L230-N234 PolarHBondContact O-OD1 3.36Å; T232-N234 VanDerWaalsContact C-N 3.32Å; T232-N234 PolarHBondContact O-N 3.46Å; N234-E236 VanDerWaalsContact C-N 3.34Å; N234-E236 PolarHBondContact O-N 3.46Å; N234-G237 PolarHBondContact O-N 3.44Å; N234-E238 PolarHBondContact O-N 3.21Å; N234-E238 VanDerWaalsContact O-N 3.15Å |
| 235 | S | 66.1 | Low | 67.5 | Low | 38 Ų | 38 | 90.3 Ų | 90.3 | 27% | 0.266 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71.1 | -27.9 | 178.5 | -56.3 | 0 | 0 | 0 | 0 | 112.8 | S188 W231 T232 S233 K239 | S188-S235 PolarHBondContact OG-OG 3.14Å; W231-S235 PolarHBondContact O-N 3.42Å; W231-S235 PolarHBondContact O-OG 3.34Å; T232-S235 PolarHBondContact O-N 2.98Å; S233-S235 VanDerWaalsContact C-N 3.3Å; S233-S235 PolarHBondContact O-N 3.31Å; S235-K239 WeakPolarHBondContact O-CG 3.24Å; S235-K239 PolarHBondContact O-N 3.44Å |
| 236 | E | 58.7 | Low | 64.5 | Low | 134 Ų | 134 | 87.2 Ų | 87.2 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -75.2 | -41.4 | 173.4 | -70 | 177.6 | 175.4 | 0 | 0 | 111.3 | T232 S233 N234 E238 K239 D240 | T232-E236 PolarHBondContact O-N 3.26Å; S233-E236 PolarHBondContact O-N 3.24Å; N234-E236 VanDerWaalsContact C-N 3.34Å; N234-E236 PolarHBondContact O-N 3.46Å; E236-E238 VanDerWaalsContact C-N 3.33Å; E236-E238 PolarHBondContact O-N 3.39Å; E236-K239 PolarHBondContact O-N 3.26Å; E236-D240 PolarHBondContact O-N 3.42Å; E236-D240 VanDerWaalsContact O-N 3.14Å |
| 237 | G | 51.1 | Low | 61.7 | Low | 45 Ų | 45 | 91.6 Ų | 91.6 | 46% | 0.464 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.6 | -32.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S233 N234 | S233-G237 PolarHBondContact O-N 3.41Å; N234-G237 PolarHBondContact O-N 3.44Å |
| 238 | E | 47.3 | Very low | 58.6 | Low | 144 Ų | 144 | 99.8 Ų | 99.8 | 67% | 0.673 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -72.3 | -35.7 | 173.6 | -74.4 | -178.2 | 176.7 | 0 | 0 | 112.3 | N234 E236 T241 | N234-E238 PolarHBondContact O-N 3.21Å; N234-E238 VanDerWaalsContact O-N 3.15Å; E236-E238 VanDerWaalsContact C-N 3.33Å; E236-E238 PolarHBondContact O-N 3.39Å; E238-T241 PolarHBondContact O-N 2.77Å; E238-T241 PolarHBondContact O-OG1 2.98Å |
| 239 | K | 40.3 | Very low | 56 | Low | 155 Ų | 155 | 112.4 Ų | 112.4 | 67% | 0.674 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -70.2 | -32.8 | 178.9 | -77 | 179.4 | -178.7 | -179.7 | 0 | 113.2 | S235 E236 T241 A242 | S235-K239 WeakPolarHBondContact O-CG 3.24Å; S235-K239 PolarHBondContact O-N 3.44Å; E236-K239 PolarHBondContact O-N 3.26Å; K239-T241 PolarHBondContact O-N 3.38Å; K239-A242 PolarHBondContact O-N 2.84Å; K239-A242 VanDerWaalsContact O-N 3.09Å |
| 240 | D | 39.7 | Very low | 54 | Low | 134 Ų | 134 | 113.7 Ų | 113.7 | 72% | 0.717 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -15 | 179.1 | -77.8 | -15.8 | 0 | 0 | 0 | 113.8 | E236 A242 | E236-D240 PolarHBondContact O-N 3.42Å; E236-D240 VanDerWaalsContact O-N 3.14Å; D240-A242 VanDerWaalsContact C-N 3.34Å |
| 241 | T | 40.8 | Very low | 51.9 | Low | 126 Ų | 126 | 115 Ų | 115 | 77% | 0.773 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -7.5 | 172.1 | 66.5 | 0 | 0 | 0 | 0 | 114 | E238 K239 | E238-T241 PolarHBondContact O-N 2.77Å; E238-T241 PolarHBondContact O-OG1 2.98Å; K239-T241 PolarHBondContact O-N 3.38Å |
| 242 | A | 35.6 | Very low | 49.5 | Very low | 76 Ų | 76 | 120.9 Ų | 120.9 | 63% | 0.628 | 66% | 0.662 | S | S | * | * | trans | -111.1 | 49.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112.4 | K239 D240 | K239-A242 PolarHBondContact O-N 2.84Å; K239-A242 VanDerWaalsContact O-N 3.09Å; D240-A242 VanDerWaalsContact C-N 3.34Å | ||
| 243 | S | 36 | Very low | 47.1 | Very low | 98 Ų | 98 | 125.1 Ų | 125.1 | 69% | 0.685 | 68% | 0.683 | S | S | * | * | trans | -96.4 | 111.2 | 162.8 | -75.9 | 0 | 0 | 0 | 0 | 110.2 | K245 | S243-K245 PolarHBondContact O-N 2.8Š| ||
| 244 | P | 39.6 | Very low | 44.6 | Very low | 122 Ų | 122 | 129.3 Ų | 129.3 | 79% | 0.792 | 70% | 0.7 | S | S | * | * | trans | -72 | 119.5 | -178.3 | 27.3 | -30.2 | 0 | 0 | 0 | 110.2 | G246 | P244-G246 PolarHBondContact O-N 3.03Å; P244-G246 VanDerWaalsContact O-N 3.11Å | ||
| 245 | K | 35.3 | Very low | 42.5 | Very low | 216 Ų | 216 | 133.3 Ų | 133.3 | 94% | 0.939 | 72% | 0.722 | S | S | * | * | trans | -71.4 | 95.9 | 162 | -72.4 | -177.6 | 178.3 | 176 | 0 | 108.5 | S243 | S243-K245 PolarHBondContact O-N 2.8Š| ||
| 246 | G | 35.1 | Very low | 40.8 | Very low | 56 Ų | 56 | 140.1 Ų | 140.1 | 58% | 0.577 | 75% | 0.754 | S | S | * | * | trans | -154.9 | 138.2 | 163.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | P244 | P244-G246 PolarHBondContact O-N 3.03Å; P244-G246 VanDerWaalsContact O-N 3.11Å | ||
| 247 | D | 37.4 | Very low | 39.4 | Very low | 163 Ų | 163 | 140.5 Ų | 140.5 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | cis | -147.8 | 141.6 | -2.7 | -89.2 | -49.1 | 0 | 0 | 0 | 106.1 | ||||
| 248 | K | 33 | Very low | 38.4 | Very low | 207 Ų | 207 | 148.5 Ų | 148.5 | 90% | 0.9 | 79% | 0.789 | S | S | * | * | trans | -133.4 | 101.8 | 161.2 | -79.5 | -170 | 178.6 | -178.5 | 0 | 108.1 | ||||
| 249 | K | 41.3 | Very low | 37.6 | Very low | 285 Ų | 285 | 148.9 Ų | 148.9 | 100% | 1.239 | 80% | 0.8 | S | S | * | * | trans | -161.8 | 0 | 139.5 | -106 | 175.9 | -172.2 | -174 | 0 | 109.7 |
Retrieved 249 of 249 residues in 356 ms
(Link to these results)