| 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 | 29.2 | Very low | 41.3 | Very low | 249 Ų | 249 | 115.6 Ų | 115.6 | 100% | 1.227 | 78% | 0.775 | S | S | * | * | 0 | 125 | 0 | -78.4 | -176.2 | -172.7 | 0 | 0 | 108.6 | |||||
| 2 | T | 34.9 | Very low | 43.6 | Very low | 150 Ų | 150 | 115.6 Ų | 115.6 | 92% | 0.92 | 75% | 0.747 | S | S | * | * | trans | -74.7 | 143.3 | 175.4 | 36.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 3 | G | 39.3 | Very low | 46.5 | Very low | 69 Ų | 69 | 111.4 Ų | 111.4 | 71% | 0.711 | 72% | 0.72 | S | S | * | * | trans | 112 | 132.3 | 151.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 4 | V | 36.8 | Very low | 49.2 | Very low | 151 Ų | 151 | 115.1 Ų | 115.1 | 92% | 0.915 | 71% | 0.713 | S | S | * | * | trans | 96.2 | 85.8 | 162.8 | -161.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 5 | C | 36.9 | Very low | 51.4 | Low | 100 Ų | 100 | 109.7 Ų | 109.7 | 68% | 0.676 | 67% | 0.674 | S | S | * | * | 165.3 | 84.1 | 109.4 | -166.3 | 0 | 0 | 0 | 0 | 111 | C7 | C5-C7 VanDerWaalsContact C-N 3.32Å; C5-C7 PolarHBondContact O-N 3.35Å | |||
| 6 | G | 38.8 | Very low | 53.6 | Low | 82 Ų | 82 | 106.5 Ų | 106.5 | 85% | 0.845 | 65% | 0.648 | S | S | * | * | trans | -87.1 | 22.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 7 | C | 38.1 | Very low | 55.6 | Low | 111 Ų | 111 | 106.4 Ų | 106.4 | 75% | 0.75 | 63% | 0.633 | S | S | * | * | trans | -113.5 | 22.9 | -173.8 | -62.5 | 0 | 0 | 0 | 0 | 114.3 | C5 | C5-C7 VanDerWaalsContact C-N 3.32Å; C5-C7 PolarHBondContact O-N 3.35Å | ||
| 8 | C | 45.6 | Very low | 57.4 | Low | 77 Ų | 77 | 102.2 Ų | 102.2 | 52% | 0.52 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -117.2 | 5 | 176.7 | -68.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 9 | G | 48.9 | Very low | 59 | Low | 43 Ų | 43 | 96.8 Ų | 96.8 | 44% | 0.443 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -71 | -39.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | L11 R12 R17 | G9-L11 PolarHBondContact O-N 3.14Å; G9-R12 PolarHBondContact O-N 3.2Å; G9-R17 WeakPolarHBondContact O-CD 3.48Å |
| 10 | A | 49 | Very low | 60.5 | Low | 87 Ų | 87 | 93.8 Ų | 93.8 | 72% | 0.719 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -24.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 11 | L | 57.3 | Low | 61.8 | Low | 153 Ų | 153 | 93.5 Ų | 93.5 | 80% | 0.801 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -5.4 | 177.5 | -72 | 161.6 | 0 | 0 | 0 | 113.2 | G9 | G9-L11 PolarHBondContact O-N 3.14Š|
| 12 | R | 68.3 | Low | 64.8 | Low | 115 Ų | 115 | 81.7 Ų | 81.7 | 43% | 0.434 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -72.8 | 136.1 | 176.4 | -80 | -177.2 | -177.5 | -169.4 | 5.5 | 110.8 | G9 R14 R17 D20 | G9-R12 PolarHBondContact O-N 3.2Å; R12-R14 PolarHBondContact O-N 2.88Å; R12-R17 HydrophobicContact CB-CG 4.09Å; R12-R17 PolarHBondContact O-NE 2.97Å; R12-R17 PolarHBondContact O-NH2 3.42Å; R12-D20 IonicContact NH1-OD2 3.64Å; R12-D20 PolarHBondContact NH1-OD2 2.88Å |
| 13 | P | 80.9 | Confident | 67.4 | Low | 61 Ų | 61 | 75.3 Ų | 75.3 | 40% | 0.396 | 45% | 0.453 | S | S | . | . | trans | -49.8 | 138.7 | 173.2 | -28.1 | 34.6 | 0 | 0 | 0 | 112 | Y15 K16 R17 | P13-Y15 HydrophobicContact CB-CD1 3.53Å; P13-Y15 HydrophobicContact CB-CE1 3.27Å; P13-Y15 HydrophobicContact CG-CE1 4Å; P13-Y15 PolarHBondContact O-N 2.92Å; P13-K16 PolarHBondContact O-N 3.38Å; P13-R17 PolarHBondContact O-N 3.19Å | ||
| 14 | R | 84.3 | Confident | 69.7 | Low | 164 Ų | 164 | 73 Ų | 73 | 62% | 0.619 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -52.1 | -41.1 | -174.9 | -174.9 | 176.4 | 177.1 | 179.4 | -2 | 112.9 | R12 K16 R17 L18 | R12-R14 PolarHBondContact O-N 2.88Å; R14-K16 PolarHBondContact O-N 3.3Å; R14-R17 PolarHBondContact O-N 3.36Å; R14-L18 HydrophobicContact CG-CD1 4.34Å; R14-L18 WeakPolarHBondContact O-CG 3.44Å; R14-L18 PolarHBondContact O-N 3.45Å |
| 15 | Y | 82.8 | Confident | 71.8 | Confident | 34 Ų | 34 | 75 Ų | 75 | 13% | 0.133 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -62.2 | -38.2 | 178.2 | 77.3 | -91.2 | 0 | 0 | 0 | 113.1 | P13 L18 V19 R52 I53 | P13-Y15 HydrophobicContact CB-CD1 3.53Å; P13-Y15 HydrophobicContact CB-CE1 3.27Å; P13-Y15 HydrophobicContact CG-CE1 4Å; P13-Y15 PolarHBondContact O-N 2.92Å; Y15-L18 PolarHBondContact O-N 3.21Å; Y15-V19 WeakPolarHBondContact O-CG2 3.48Å; Y15-V19 PolarHBondContact O-N 2.99Å; Y15-R52 HydrophobicContact CD2-CB 4.41Å; Y15-R52 HydrophobicContact CE2-CB 4.02Å; Y15-I53 HydrophobicContact CD2-CG1 4.1Å; Y15-I53 HydrophobicContact CG-CG1 4.42Å |
| 16 | K | 87.1 | Confident | 74 | Confident | 58 Ų | 58 | 74 Ų | 74 | 25% | 0.252 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66.4 | -39.4 | 177.3 | -68.3 | -165.1 | 176.6 | -173.6 | 0 | 111.6 | P13 R14 V19 D20 Y56 | P13-K16 PolarHBondContact O-N 3.38Å; R14-K16 PolarHBondContact O-N 3.3Å; K16-V19 PolarHBondContact O-N 3.42Å; K16-D20 WeakPolarHBondContact O-CB 3.33Å; K16-D20 VanDerWaalsContact O-CG 3.27Å; K16-D20 PolarHBondContact O-N 3.39Å; K16-Y56 HydrophobicContact CB-CD1 4.48Å; K16-Y56 HydrophobicContact CB-CE1 4.08Å; K16-Y56 HydrophobicContact CD-CD2 4.23Å; K16-Y56 HydrophobicContact CD-CE1 4.47Å; K16-Y56 HydrophobicContact CD-CE2 3.98Å; K16-Y56 HydrophobicContact CG-CD1 4.12Å; K16-Y56 HydrophobicContact CG-CD2 4.43Å; K16-Y56 HydrophobicContact CG-CE1 4.07Å; K16-Y56 HydrophobicContact CG-CE2 4.4Å; K16-Y56 HydrophobicContact CG-CG 4.3Å |
| 17 | R | 87.2 | Confident | 76 | Confident | 105 Ų | 105 | 71.8 Ų | 71.8 | 40% | 0.396 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.8 | -41.9 | 176 | -73.7 | -175.6 | -91.5 | 161.9 | -10.8 | 112 | G9 R12 P13 R14 V19 D20 N21 | G9-R17 WeakPolarHBondContact O-CD 3.48Å; R12-R17 HydrophobicContact CB-CG 4.09Å; R12-R17 PolarHBondContact O-NE 2.97Å; R12-R17 PolarHBondContact O-NH2 3.42Å; P13-R17 PolarHBondContact O-N 3.19Å; R14-R17 PolarHBondContact O-N 3.36Å; R17-V19 VanDerWaalsContact C-N 3.33Å; R17-D20 PolarHBondContact O-N 2.96Å; R17-N21 WeakPolarHBondContact O-CB 3.39Å; R17-N21 PolarHBondContact O-N 3.24Å; R17-N21 PolarHBondContact O-ND2 3.4Å; R17-N21 PolarHBondContact O-OD1 3.17Å |
| 18 | L | 87.3 | Confident | 78.1 | Confident | 31 Ų | 31 | 74.4 Ų | 74.4 | 16% | 0.162 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.2 | -41 | 176 | -69.4 | 172 | 0 | 0 | 0 | 111.6 | R14 Y15 N21 L39 Y42 | R14-L18 HydrophobicContact CG-CD1 4.34Å; R14-L18 WeakPolarHBondContact O-CG 3.44Å; R14-L18 PolarHBondContact O-N 3.45Å; Y15-L18 PolarHBondContact O-N 3.21Å; L18-N21 PolarHBondContact O-N 3.49Å; L18-L39 HydrophobicContact CB-CD1 3.84Å; L18-Y42 HydrophobicContact CD1-CD1 3.61Å; L18-Y42 HydrophobicContact CD1-CD2 4.01Å; L18-Y42 HydrophobicContact CD1-CE1 4.19Å; L18-Y42 HydrophobicContact CD1-CG 3.5Å |
| 19 | V | 88.8 | Confident | 79.8 | Confident | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -67.8 | -39.4 | 173.3 | 174.3 | 0 | 0 | 0 | 0 | 112 | Y15 K16 R17 N21 I22 F23 L39 I53 Y56 L57 | Y15-V19 WeakPolarHBondContact O-CG2 3.48Å; Y15-V19 PolarHBondContact O-N 2.99Å; K16-V19 PolarHBondContact O-N 3.42Å; R17-V19 VanDerWaalsContact C-N 3.33Å; V19-N21 VanDerWaalsContact C-N 3.26Å; V19-N21 PolarHBondContact O-N 2.95Å; V19-I22 WeakPolarHBondContact O-CG1 3.38Å; V19-I22 PolarHBondContact O-N 3.28Å; V19-F23 HydrophobicContact CG1-CE2 3.98Å; V19-F23 WeakPolarHBondContact O-CD2 3.37Å; V19-F23 VanDerWaalsContact O-CE2 3.29Å; V19-F23 WeakPolarHBondContact O-CE2 3.42Å; V19-L39 HydrophobicContact CG2-CD1 3.93Å; V19-L39 HydrophobicContact CG2-CD2 4.05Å; V19-I53 HydrophobicContact CG2-CG2 3.84Å; V19-Y56 HydrophobicContact CB-CD1 3.98Å; V19-Y56 HydrophobicContact CB-CE1 4.16Å; V19-Y56 HydrophobicContact CG1-CD1 3.73Å; V19-Y56 HydrophobicContact CG1-CE1 3.91Å; V19-Y56 HydrophobicContact CG2-CD1 4.4Å; V19-L57 HydrophobicContact CG1-CD2 3.52Å; V19-L57 HydrophobicContact CG1-CG 4.02Å |
| 20 | D | 88.6 | Confident | 81.4 | Confident | 35 Ų | 35 | 75.6 Ų | 75.6 | 19% | 0.187 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.1 | -35.4 | 178.5 | -75.5 | -24.8 | 0 | 0 | 0 | 111.5 | R12 K16 R17 I22 F23 Y56 R60 | R12-D20 IonicContact NH1-OD2 3.64Å; R12-D20 PolarHBondContact NH1-OD2 2.88Å; K16-D20 WeakPolarHBondContact O-CB 3.33Å; K16-D20 VanDerWaalsContact O-CG 3.27Å; K16-D20 PolarHBondContact O-N 3.39Å; R17-D20 PolarHBondContact O-N 2.96Å; D20-I22 VanDerWaalsContact C-N 3.31Å; D20-I22 PolarHBondContact O-N 3.37Å; D20-F23 PolarHBondContact O-N 3.05Å; D20-Y56 PolarHBondContact OD1-OH 2.85Å; D20-R60 IonicContact OD1-CZ 2.66Å; D20-R60 IonicContact OD1-NH1 3.95Å; D20-R60 PolarHBondContact OD1-NH1 3.2Å |
| 21 | N | 88.6 | Confident | 83.2 | Confident | 89 Ų | 89 | 72 Ų | 72 | 48% | 0.476 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -12.7 | -177.3 | -69.5 | -10.4 | 0 | 0 | 0 | 114.9 | R17 L18 V19 F23 N35 | R17-N21 WeakPolarHBondContact O-CB 3.39Å; R17-N21 PolarHBondContact O-N 3.24Å; R17-N21 PolarHBondContact O-ND2 3.4Å; R17-N21 PolarHBondContact O-OD1 3.17Å; L18-N21 PolarHBondContact O-N 3.49Å; V19-N21 VanDerWaalsContact C-N 3.26Å; V19-N21 PolarHBondContact O-N 2.95Å; N21-F23 VanDerWaalsContact C-N 3.3Å; N21-N35 HydrophobicContact CB-CB 4.47Å; N21-N35 PolarHBondContact O-ND2 3.37Å |
| 22 | I | 91.1 | Very high | 84.8 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -16.2 | 173.9 | 58.8 | 150.8 | 0 | 0 | 0 | 112.4 | V19 D20 L31 V32 N35 M36 L39 L57 A79 | V19-I22 WeakPolarHBondContact O-CG1 3.38Å; V19-I22 PolarHBondContact O-N 3.28Å; D20-I22 VanDerWaalsContact C-N 3.31Å; D20-I22 PolarHBondContact O-N 3.37Å; I22-L31 HydrophobicContact CB-CD1 3.86Å; I22-L31 HydrophobicContact CD1-CD1 3.96Å; I22-L31 HydrophobicContact CG1-CD1 4.42Å; I22-V32 PolarHBondContact O-N 3.49Å; I22-N35 HydrophobicContact CG2-CB 4.03Å; I22-M36 HydrophobicContact CD1-SD 4.39Å; I22-M36 HydrophobicContact CG2-CB 4.39Å; I22-M36 HydrophobicContact CG2-SD 4.2Å; I22-L39 HydrophobicContact CD1-CD2 4.31Å; I22-L39 HydrophobicContact CG2-CB 4.48Å; I22-L39 HydrophobicContact CG2-CD2 4.16Å; I22-L57 HydrophobicContact CD1-CD2 4.47Å; I22-A79 HydrophobicContact CD1-CB 3.39Å |
| 23 | F | 89.3 | Confident | 85.6 | Confident | 17 Ų | 17 | 68.9 Ų | 68.9 | 8% | 0.075 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -93.8 | 120.5 | 178.8 | -62.8 | -88.6 | 0 | 0 | 0 | 110.1 | V19 D20 N21 L57 R60 Y72 I75 A76 | V19-F23 HydrophobicContact CG1-CE2 3.98Å; V19-F23 WeakPolarHBondContact O-CD2 3.37Å; V19-F23 VanDerWaalsContact O-CE2 3.29Å; V19-F23 WeakPolarHBondContact O-CE2 3.42Å; D20-F23 PolarHBondContact O-N 3.05Å; N21-F23 VanDerWaalsContact C-N 3.3Å; F23-L57 HydrophobicContact CE2-CD2 4.15Å; F23-L57 HydrophobicContact CZ-CD2 3.97Å; F23-R60 VanDerWaalsContact CD2-NH2 3.33Å; F23-Y72 HydrophobicContact CD1-CD1 4.14Å; F23-I75 HydrophobicContact CD1-CB 4.15Å; F23-I75 HydrophobicContact CD1-CG2 3.64Å; F23-I75 HydrophobicContact CE1-CB 4.14Å; F23-I75 HydrophobicContact CE1-CG2 3.77Å; F23-I75 HydrophobicContact CG-CG2 4.42Å; F23-A76 HydrophobicContact CE1-CB 3.98Å; F23-A76 HydrophobicContact CZ-CB 3.98Å |
| 24 | P | 87.3 | Confident | 85.9 | Confident | 20 Ų | 20 | 68.6 Ų | 68.6 | 13% | 0.13 | 34% | 0.34 | C | S | . | . | trans | -68.7 | 169.8 | 172.9 | 31.9 | -38.1 | 0 | 0 | 0 | 112.2 | D26 D29 G30 V32 Y72 I75 | P24-D26 WeakPolarHBondContact CB-O 3.36Å; P24-D26 WeakPolarHBondContact CG-O 3.39Å; P24-D29 HydrophobicContact CB-CB 3.81Å; P24-D29 HydrophobicContact CG-CB 4Å; P24-G30 WeakPolarHBondContact CD-O 3.14Å; P24-G30 WeakPolarHBondContact CG-O 3.36Å; P24-V32 HydrophobicContact CB-CG2 4.36Å; P24-Y72 WeakPolarHBondContact O-CE1 3.47Å; P24-I75 HydrophobicContact CG-CD1 4.01Å | ||
| 25 | E | 81.4 | Confident | 86.1 | Confident | 193 Ų | 193 | 62.9 Ų | 62.9 | 90% | 0.902 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -70.3 | -39 | 172 | -66.4 | -169.3 | 166.5 | 0 | 0 | 111.3 | Y72 | E25-Y72 PolarHBondContact O-OH 3.2Š|
| 26 | D | 84 | Confident | 86.5 | Confident | 78 Ų | 78 | 61.2 Ų | 61.2 | 42% | 0.417 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -101.3 | 124.1 | 172.7 | -166 | -30.9 | 0 | 0 | 0 | 110.9 | P24 E28 D29 | P24-D26 WeakPolarHBondContact CB-O 3.36Å; P24-D26 WeakPolarHBondContact CG-O 3.39Å; D26-E28 PolarHBondContact O-N 2.92Å; D26-E28 PolarHBondContact OD1-N 3.06Å; D26-D29 WeakPolarHBondContact O-CB 3.4Å; D26-D29 PolarHBondContact O-N 3.42Å |
| 27 | P | 81.1 | Confident | 86.6 | Confident | 37 Ų | 37 | 65 Ų | 65 | 24% | 0.24 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -60 | -21.6 | 177.4 | 25.1 | -35.3 | 0 | 0 | 0 | 115.1 | D29 G30 Y72 | P27-D29 VanDerWaalsContact C-N 3.27Å; P27-D29 PolarHBondContact O-N 3.07Å; P27-G30 PolarHBondContact O-N 3.24Å; P27-Y72 HydrophobicContact CB-CD1 4.33Å; P27-Y72 HydrophobicContact CB-CD2 4.32Å; P27-Y72 HydrophobicContact CB-CE1 4.2Å; P27-Y72 HydrophobicContact CB-CE2 4.21Å; P27-Y72 HydrophobicContact CB-CG 4.41Å; P27-Y72 HydrophobicContact CG-CE2 4.2Å |
| 28 | E | 82 | Confident | 86.7 | Confident | 165 Ų | 165 | 65.8 Ų | 65.8 | 77% | 0.771 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -72.4 | -20.8 | 179 | -63.2 | -60 | 138 | 0 | 0 | 112.9 | D26 G30 | D26-E28 PolarHBondContact O-N 2.92Å; D26-E28 PolarHBondContact OD1-N 3.06Å; E28-G30 PolarHBondContact O-N 3.25Å |
| 29 | D | 79.9 | Confident | 86.8 | Confident | 122 Ų | 122 | 64.3 Ų | 64.3 | 65% | 0.652 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -69.2 | -12.5 | 177.1 | -68.5 | -27.4 | 0 | 0 | 0 | 112.9 | P24 D26 P27 | P24-D29 HydrophobicContact CB-CB 3.81Å; P24-D29 HydrophobicContact CG-CB 4Å; D26-D29 WeakPolarHBondContact O-CB 3.4Å; D26-D29 PolarHBondContact O-N 3.42Å; P27-D29 VanDerWaalsContact C-N 3.27Å; P27-D29 PolarHBondContact O-N 3.07Å |
| 30 | G | 83.6 | Confident | 86.7 | Confident | 23 Ų | 23 | 65.3 Ų | 65.3 | 24% | 0.237 | 34% | 0.339 | C | S | . | . | trans | 68.4 | -171.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | P24 P27 E28 V32 | P24-G30 WeakPolarHBondContact CD-O 3.14Å; P24-G30 WeakPolarHBondContact CG-O 3.36Å; P27-G30 PolarHBondContact O-N 3.24Å; E28-G30 PolarHBondContact O-N 3.25Å; G30-V32 PolarHBondContact O-N 2.74Å | ||
| 31 | L | 87.3 | Confident | 86.6 | Confident | 13 Ų | 13 | 70.6 Ų | 70.6 | 7% | 0.068 | 36% | 0.36 | C | S | . | . | trans | -67.4 | 126.1 | -177.7 | 178.1 | 67 | 0 | 0 | 0 | 111.7 | I22 K33 M36 I75 E78 A79 | I22-L31 HydrophobicContact CB-CD1 3.86Å; I22-L31 HydrophobicContact CD1-CD1 3.96Å; I22-L31 HydrophobicContact CG1-CD1 4.42Å; L31-K33 PolarHBondContact O-N 2.89Å; L31-M36 HydrophobicContact CD1-CB 4.46Å; L31-M36 HydrophobicContact CD1-SD 4.15Å; L31-M36 HydrophobicContact CD2-CB 4.28Å; L31-M36 HydrophobicContact CD2-CG 3.96Å; L31-M36 HydrophobicContact CD2-SD 4.2Å; L31-M36 HydrophobicContact CG-CB 4.33Å; L31-M36 HydrophobicContact CG-CG 4.48Å; L31-I75 HydrophobicContact CB-CG2 4.22Å; L31-I75 HydrophobicContact CD1-CG2 3.8Å; L31-E78 HydrophobicContact CD2-CB 4.28Å; L31-E78 HydrophobicContact CD2-CG 3.86Å; L31-A79 HydrophobicContact CD1-CB 3.97Å; L31-A79 HydrophobicContact CD2-CB 4.46Å | ||
| 32 | V | 89.6 | Confident | 86.6 | Confident | 53 Ų | 53 | 68.2 Ų | 68.2 | 32% | 0.321 | 35% | 0.345 | S | S | . | . | trans | -72.8 | 91.4 | 178.4 | -174.2 | 0 | 0 | 0 | 0 | 110.7 | I22 P24 G30 A34 N35 M36 | I22-V32 PolarHBondContact O-N 3.49Å; P24-V32 HydrophobicContact CB-CG2 4.36Å; G30-V32 PolarHBondContact O-N 2.74Å; V32-A34 PolarHBondContact O-N 3.29Å; V32-N35 HydrophobicContact CB-CB 4.34Å; V32-N35 HydrophobicContact CG1-CB 4.09Å; V32-N35 PolarHBondContact O-N 3.42Å; V32-M36 PolarHBondContact O-N 2.72Å | ||
| 33 | K | 86.8 | Confident | 86.3 | Confident | 149 Ų | 149 | 68.3 Ų | 68.3 | 65% | 0.648 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -50.8 | -46.5 | -172.3 | -62.7 | -174.4 | -179.4 | -179 | 0 | 114.5 | L31 N35 M36 E37 | L31-K33 PolarHBondContact O-N 2.89Å; K33-N35 VanDerWaalsContact C-N 3.26Å; K33-N35 PolarHBondContact O-N 3.2Å; K33-M36 WeakPolarHBondContact O-CA 3.4Å; K33-M36 WeakPolarHBondContact O-CB 3.44Å; K33-M36 PolarHBondContact O-N 3.42Å; K33-E37 PolarHBondContact O-N 2.87Å |
| 34 | A | 86.6 | Confident | 86.1 | Confident | 55 Ų | 55 | 71.4 Ų | 71.4 | 46% | 0.455 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.6 | -30.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V32 K38 | V32-A34 PolarHBondContact O-N 3.29Å; A34-K38 WeakPolarHBondContact O-CG 3.14Å |
| 35 | N | 88.4 | Confident | 86 | Confident | 43 Ų | 43 | 74 Ų | 74 | 23% | 0.23 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -82.8 | -29.4 | 174.9 | -70.8 | -23.5 | 0 | 0 | 0 | 111.3 | N21 I22 V32 K33 K38 L39 | N21-N35 HydrophobicContact CB-CB 4.47Å; N21-N35 PolarHBondContact O-ND2 3.37Å; I22-N35 HydrophobicContact CG2-CB 4.03Å; V32-N35 HydrophobicContact CB-CB 4.34Å; V32-N35 HydrophobicContact CG1-CB 4.09Å; V32-N35 PolarHBondContact O-N 3.42Å; K33-N35 VanDerWaalsContact C-N 3.26Å; K33-N35 PolarHBondContact O-N 3.2Å; N35-K38 PolarHBondContact O-N 3.43Å; N35-L39 PolarHBondContact O-N 3.17Å |
| 36 | M | 91 | Very high | 86.1 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.1 | -46 | 172.4 | -169.4 | 64.5 | -141.1 | 0 | 0 | 111.5 | I22 L31 V32 K33 K38 L39 T40 A79 Q82 L83 | I22-M36 HydrophobicContact CD1-SD 4.39Å; I22-M36 HydrophobicContact CG2-CB 4.39Å; I22-M36 HydrophobicContact CG2-SD 4.2Å; L31-M36 HydrophobicContact CD1-CB 4.46Å; L31-M36 HydrophobicContact CD1-SD 4.15Å; L31-M36 HydrophobicContact CD2-CB 4.28Å; L31-M36 HydrophobicContact CD2-CG 3.96Å; L31-M36 HydrophobicContact CD2-SD 4.2Å; L31-M36 HydrophobicContact CG-CB 4.33Å; L31-M36 HydrophobicContact CG-CG 4.48Å; V32-M36 PolarHBondContact O-N 2.72Å; K33-M36 WeakPolarHBondContact O-CA 3.4Å; K33-M36 WeakPolarHBondContact O-CB 3.44Å; K33-M36 PolarHBondContact O-N 3.42Å; M36-K38 VanDerWaalsContact C-N 3.28Å; M36-K38 PolarHBondContact O-N 3.37Å; M36-L39 HydrophobicContact CE-CB 4.49Å; M36-L39 HydrophobicContact CE-CD2 4.05Å; M36-L39 HydrophobicContact CE-CG 4.44Å; M36-L39 CarbonylContact O-C 3.58Å; M36-L39 WeakPolarHBondContact O-CA 3.48Å; M36-L39 WeakPolarHBondContact O-CB 3.47Å; M36-L39 PolarHBondContact O-N 3.1Å; M36-L39 HydrophobicContact SD-CD2 4.16Å; M36-T40 PolarHBondContact O-N 2.81Å; M36-T40 PolarHBondContact O-OG1 2.8Å; M36-T40 VanDerWaalsContact O-OG1 3.1Å; M36-A79 HydrophobicContact CE-CB 4.28Å; M36-A79 VanDerWaalsContact CE-O 3.32Å; M36-A79 WeakPolarHBondContact CE-O 3.29Å; M36-A79 HydrophobicContact SD-CB 3.66Å; M36-Q82 HydrophobicContact CE-CB 4.17Å; M36-Q82 VanDerWaalsContact CG-OE1 3.22Å; M36-L83 HydrophobicContact CE-CD1 4.17Å; M36-L83 HydrophobicContact CE-CD2 3.69Å; M36-L83 HydrophobicContact CE-CG 3.52Å |
| 37 | E | 88.2 | Confident | 85.9 | Confident | 137 Ų | 137 | 63.8 Ų | 63.8 | 64% | 0.64 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -57.2 | -41 | 175.4 | -72.3 | 171 | -173.1 | 0 | 0 | 112 | K33 L39 T40 F41 | K33-E37 PolarHBondContact O-N 2.87Å; E37-L39 VanDerWaalsContact C-N 3.34Å; E37-L39 PolarHBondContact O-N 2.98Å; E37-T40 PolarHBondContact O-N 3.26Å; E37-F41 WeakPolarHBondContact O-CB 3.36Å; E37-F41 PolarHBondContact O-N 3.49Å |
| 38 | K | 89.8 | Confident | 85.9 | Confident | 121 Ų | 121 | 67.5 Ų | 67.5 | 53% | 0.526 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.1 | -38.8 | 174.1 | -69 | 171.5 | -170.6 | 166.3 | 0 | 112.2 | A34 N35 M36 Y42 | A34-K38 WeakPolarHBondContact O-CG 3.14Å; N35-K38 PolarHBondContact O-N 3.43Å; M36-K38 VanDerWaalsContact C-N 3.28Å; M36-K38 PolarHBondContact O-N 3.37Å; K38-Y42 VanDerWaalsContact O-CB 3.27Å; K38-Y42 WeakPolarHBondContact O-CB 3.38Å; K38-Y42 PolarHBondContact O-N 3.1Å |
| 39 | L | 89 | Confident | 86 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.8 | -43.9 | 176.8 | -178.9 | 63.2 | 0 | 0 | 0 | 110.9 | L18 V19 I22 N35 M36 E37 Y42 A43 I53 L83 | L18-L39 HydrophobicContact CB-CD1 3.84Å; V19-L39 HydrophobicContact CG2-CD1 3.93Å; V19-L39 HydrophobicContact CG2-CD2 4.05Å; I22-L39 HydrophobicContact CD1-CD2 4.31Å; I22-L39 HydrophobicContact CG2-CB 4.48Å; I22-L39 HydrophobicContact CG2-CD2 4.16Å; N35-L39 PolarHBondContact O-N 3.17Å; M36-L39 HydrophobicContact CE-CB 4.49Å; M36-L39 HydrophobicContact CE-CD2 4.05Å; M36-L39 HydrophobicContact CE-CG 4.44Å; M36-L39 CarbonylContact O-C 3.58Å; M36-L39 WeakPolarHBondContact O-CA 3.48Å; M36-L39 WeakPolarHBondContact O-CB 3.47Å; M36-L39 PolarHBondContact O-N 3.1Å; M36-L39 HydrophobicContact SD-CD2 4.16Å; E37-L39 VanDerWaalsContact C-N 3.34Å; E37-L39 PolarHBondContact O-N 2.98Å; L39-Y42 PolarHBondContact O-N 2.84Å; L39-A43 WeakPolarHBondContact O-CB 3.4Å; L39-A43 PolarHBondContact O-N 3.22Å; L39-I53 HydrophobicContact CD1-CD1 4.05Å; L39-I53 HydrophobicContact CD1-CG2 4.33Å; L39-L83 HydrophobicContact CD2-CD1 4.31Å; L39-L83 HydrophobicContact CG-CD2 4.41Å |
| 40 | T | 87.2 | Confident | 86.3 | Confident | 22 Ų | 22 | 56.5 Ų | 56.5 | 14% | 0.135 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.6 | -47.5 | 175.4 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | M36 E37 Y42 A43 L44 A86 | M36-T40 PolarHBondContact O-N 2.81Å; M36-T40 PolarHBondContact O-OG1 2.8Å; M36-T40 VanDerWaalsContact O-OG1 3.1Å; E37-T40 PolarHBondContact O-N 3.26Å; T40-Y42 VanDerWaalsContact C-N 3.31Å; T40-Y42 PolarHBondContact O-N 3.1Å; T40-A43 PolarHBondContact O-N 3.07Å; T40-L44 HydrophobicContact CG2-CD1 4.2Å; T40-L44 WeakPolarHBondContact O-CG 3.49Å; T40-L44 PolarHBondContact O-N 3.27Å; T40-A86 HydrophobicContact CG2-CB 3.43Å; T40-A86 VanDerWaalsContact CG2-CB 3.43Å |
| 41 | F | 86.8 | Confident | 86.3 | Confident | 146 Ų | 146 | 58 Ų | 58 | 64% | 0.64 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -60 | -41.9 | 175.7 | -178.1 | -94.4 | 0 | 0 | 0 | 112 | E37 L44 S45 | E37-F41 WeakPolarHBondContact O-CB 3.36Å; E37-F41 PolarHBondContact O-N 3.49Å; F41-L44 PolarHBondContact O-N 3.04Å; F41-S45 WeakPolarHBondContact CE1-OG 3.25Å; F41-S45 VanDerWaalsContact O-CB 3.32Å; F41-S45 WeakPolarHBondContact O-CB 3.47Å; F41-S45 PolarHBondContact O-N 3.47Å; F41-S45 PolarHBondContact O-OG 3.19Å |
| 42 | Y | 87.5 | Confident | 86.3 | Confident | 39 Ų | 39 | 63.6 Ų | 63.6 | 15% | 0.153 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 176.3 | -178.9 | -105.1 | 0 | 0 | 0 | 112.2 | L18 K38 L39 T40 S45 A46 K49 I53 | L18-Y42 HydrophobicContact CD1-CD1 3.61Å; L18-Y42 HydrophobicContact CD1-CD2 4.01Å; L18-Y42 HydrophobicContact CD1-CE1 4.19Å; L18-Y42 HydrophobicContact CD1-CG 3.5Å; K38-Y42 VanDerWaalsContact O-CB 3.27Å; K38-Y42 WeakPolarHBondContact O-CB 3.38Å; K38-Y42 PolarHBondContact O-N 3.1Å; L39-Y42 PolarHBondContact O-N 2.84Å; T40-Y42 VanDerWaalsContact C-N 3.31Å; T40-Y42 PolarHBondContact O-N 3.1Å; Y42-S45 PolarHBondContact O-N 3.23Å; Y42-A46 PolarHBondContact O-N 3.4Å; Y42-K49 HydrophobicContact CE1-CB 4.26Å; Y42-K49 HydrophobicContact CE1-CG 4.42Å; Y42-I53 HydrophobicContact CD1-CD1 4.13Å; Y42-I53 HydrophobicContact CE1-CD1 4.34Å |
| 43 | A | 86.4 | Confident | 86.3 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.008 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.2 | -41.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L39 T40 A46 L50 I53 L83 | L39-A43 WeakPolarHBondContact O-CB 3.4Å; L39-A43 PolarHBondContact O-N 3.22Å; T40-A43 PolarHBondContact O-N 3.07Å; A43-A46 CarbonylContact O-C 3.58Å; A43-A46 PolarHBondContact O-N 3.09Å; A43-L50 HydrophobicContact CB-CD1 4.02Å; A43-I53 HydrophobicContact CB-CD1 4.39Å; A43-L83 HydrophobicContact CB-CD2 3.98Å |
| 44 | L | 84.2 | Confident | 86.5 | Confident | 82 Ų | 82 | 54 Ų | 54 | 43% | 0.429 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66 | -37.8 | 174.5 | -72.3 | 172.9 | 0 | 0 | 0 | 112.8 | T40 F41 A46 A86 C87 | T40-L44 HydrophobicContact CG2-CD1 4.2Å; T40-L44 WeakPolarHBondContact O-CG 3.49Å; T40-L44 PolarHBondContact O-N 3.27Å; F41-L44 PolarHBondContact O-N 3.04Å; L44-A46 VanDerWaalsContact C-N 3.33Å; L44-A86 WeakPolarHBondContact CD2-O 3.47Å; L44-C87 HydrophobicContact CD2-CB 4.45Å |
| 45 | S | 85.6 | Confident | 86.6 | Confident | 74 Ų | 74 | 53.6 Ų | 53.6 | 52% | 0.517 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -75.3 | -21.7 | -180 | -57.3 | 0 | 0 | 0 | 0 | 113.3 | F41 Y42 | F41-S45 WeakPolarHBondContact CE1-OG 3.25Å; F41-S45 VanDerWaalsContact O-CB 3.32Å; F41-S45 WeakPolarHBondContact O-CB 3.47Å; F41-S45 PolarHBondContact O-N 3.47Å; F41-S45 PolarHBondContact O-OG 3.19Å; Y42-S45 PolarHBondContact O-N 3.23Å |
| 46 | A | 84.3 | Confident | 86.8 | Confident | 14 Ų | 14 | 52.9 Ų | 52.9 | 12% | 0.116 | 26% | 0.262 | C | S | . | . | trans | -140 | 75 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y42 A43 L44 E48 K49 | Y42-A46 PolarHBondContact O-N 3.4Å; A43-A46 CarbonylContact O-C 3.58Å; A43-A46 PolarHBondContact O-N 3.09Å; L44-A46 VanDerWaalsContact C-N 3.33Å; A46-E48 VanDerWaalsContact C-OE2 3.32Å; A46-E48 PolarHBondContact O-N 3.36Å; A46-E48 VanDerWaalsContact O-N 3.11Å; A46-K49 HydrophobicContact CB-CB 4.41Å; A46-K49 HydrophobicContact CB-CG 3.88Å; A46-K49 WeakPolarHBondContact O-CB 3.48Å; A46-K49 PolarHBondContact O-N 3.13Å | ||
| 47 | P | 79.4 | Confident | 86.8 | Confident | 43 Ų | 43 | 52.9 Ų | 52.9 | 28% | 0.279 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.8 | -24.1 | -173.7 | -24.1 | 34.8 | 0 | 0 | 0 | 114.3 | K49 L50 S91 | P47-K49 PolarHBondContact O-N 3.38Å; P47-L50 VanDerWaalsContact O-CB 3.31Å; P47-L50 WeakPolarHBondContact O-CB 3.49Å; P47-L50 PolarHBondContact O-N 2.79Å; P47-S91 VanDerWaalsContact CB-OG 3.29Å; P47-S91 WeakPolarHBondContact CB-OG 3.46Å; P47-S91 PolarHBondContact O-OG 3.4Å |
| 48 | E | 79.7 | Confident | 87 | Confident | 115 Ų | 115 | 47 Ų | 47 | 54% | 0.537 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -73.4 | -13.1 | 175.9 | 77.8 | -69.3 | 165.4 | 0 | 0 | 113.7 | A46 | A46-E48 VanDerWaalsContact C-OE2 3.32Å; A46-E48 PolarHBondContact O-N 3.36Å; A46-E48 VanDerWaalsContact O-N 3.11Å |
| 49 | K | 83.9 | Confident | 87 | Confident | 54 Ų | 54 | 46.1 Ų | 46.1 | 24% | 0.235 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -91.1 | -16.9 | 174 | -55.9 | -56.2 | 177.8 | -157.2 | 0 | 112.6 | Y42 A46 P47 D51 R52 I53 | Y42-K49 HydrophobicContact CE1-CB 4.26Å; Y42-K49 HydrophobicContact CE1-CG 4.42Å; A46-K49 HydrophobicContact CB-CB 4.41Å; A46-K49 HydrophobicContact CB-CG 3.88Å; A46-K49 WeakPolarHBondContact O-CB 3.48Å; A46-K49 PolarHBondContact O-N 3.13Å; P47-K49 PolarHBondContact O-N 3.38Å; K49-D51 VanDerWaalsContact C-N 3.31Å; K49-D51 PolarHBondContact O-N 3.14Å; K49-R52 PolarHBondContact O-N 3.01Å; K49-R52 VanDerWaalsContact O-N 3.11Å; K49-I53 HydrophobicContact CB-CD1 4.48Å; K49-I53 WeakPolarHBondContact O-CG1 3.41Å; K49-I53 PolarHBondContact O-N 3.05Å |
| 50 | L | 86.8 | Confident | 87.2 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.016 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.9 | -44.2 | -178.2 | -177.4 | 63.7 | 0 | 0 | 0 | 111.6 | A43 P47 R52 I53 G54 C87 F95 | A43-L50 HydrophobicContact CB-CD1 4.02Å; P47-L50 VanDerWaalsContact O-CB 3.31Å; P47-L50 WeakPolarHBondContact O-CB 3.49Å; P47-L50 PolarHBondContact O-N 2.79Å; L50-R52 PolarHBondContact O-N 3.48Å; L50-I53 WeakPolarHBondContact O-CB 3.32Å; L50-I53 PolarHBondContact O-N 3.29Å; L50-G54 PolarHBondContact O-N 3.16Å; L50-C87 HydrophobicContact CD2-CB 3.86Å; L50-F95 HydrophobicContact CD1-CD2 3.73Å; L50-F95 HydrophobicContact CD1-CE2 3.91Å; L50-F95 HydrophobicContact CD1-CG 4.09Å; L50-F95 HydrophobicContact CD1-CZ 4.43Å; L50-F95 HydrophobicContact CD2-CB 4.07Å; L50-F95 HydrophobicContact CD2-CD1 4.46Å; L50-F95 HydrophobicContact CD2-CG 4.11Å; L50-F95 HydrophobicContact CG-CB 3.87Å; L50-F95 HydrophobicContact CG-CD1 4.48Å; L50-F95 HydrophobicContact CG-CD2 3.74Å; L50-F95 HydrophobicContact CG-CE2 4.43Å; L50-F95 HydrophobicContact CG-CG 3.77Å; L50-F95 WeakPolarHBondContact O-CD2 3.35Å |
| 51 | D | 84.3 | Confident | 87.4 | Confident | 53 Ų | 53 | 47.3 Ų | 47.3 | 28% | 0.283 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -55.7 | -48.9 | 174.2 | 171.7 | 46.4 | 0 | 0 | 0 | 112.4 | K49 I53 G54 A55 L94 | K49-D51 VanDerWaalsContact C-N 3.31Å; K49-D51 PolarHBondContact O-N 3.14Å; D51-I53 VanDerWaalsContact C-N 3.29Å; D51-I53 PolarHBondContact O-N 3.25Å; D51-G54 PolarHBondContact O-N 3.22Å; D51-A55 WeakPolarHBondContact O-CB 3.35Å; D51-A55 PolarHBondContact O-N 3.42Å; D51-L94 HydrophobicContact CB-CB 3.94Å; D51-L94 HydrophobicContact CB-CD1 4.39Å; D51-L94 WeakPolarHBondContact OD1-CB 3.4Å |
| 52 | R | 87.8 | Confident | 87.6 | Confident | 132 Ų | 132 | 42.4 Ų | 42.4 | 50% | 0.498 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.2 | -33 | 179.1 | -60.4 | -175.9 | -175.3 | -172.1 | -0.4 | 112.8 | Y15 K49 L50 Y56 | Y15-R52 HydrophobicContact CD2-CB 4.41Å; Y15-R52 HydrophobicContact CE2-CB 4.02Å; K49-R52 PolarHBondContact O-N 3.01Å; K49-R52 VanDerWaalsContact O-N 3.11Å; L50-R52 PolarHBondContact O-N 3.48Å; R52-Y56 WeakPolarHBondContact O-CB 3.42Å; R52-Y56 PolarHBondContact O-N 3.41Å; R52-Y56 VanDerWaalsContact O-N 3.15Å |
| 53 | I | 89.6 | Confident | 87.9 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.1 | -48.9 | 173.9 | -68.4 | 165.5 | 0 | 0 | 0 | 109.4 | Y15 V19 L39 Y42 A43 K49 L50 D51 Y56 L57 L83 | Y15-I53 HydrophobicContact CD2-CG1 4.1Å; Y15-I53 HydrophobicContact CG-CG1 4.42Å; V19-I53 HydrophobicContact CG2-CG2 3.84Å; L39-I53 HydrophobicContact CD1-CD1 4.05Å; L39-I53 HydrophobicContact CD1-CG2 4.33Å; Y42-I53 HydrophobicContact CD1-CD1 4.13Å; Y42-I53 HydrophobicContact CE1-CD1 4.34Å; A43-I53 HydrophobicContact CB-CD1 4.39Å; K49-I53 HydrophobicContact CB-CD1 4.48Å; K49-I53 WeakPolarHBondContact O-CG1 3.41Å; K49-I53 PolarHBondContact O-N 3.05Å; L50-I53 WeakPolarHBondContact O-CB 3.32Å; L50-I53 PolarHBondContact O-N 3.29Å; D51-I53 VanDerWaalsContact C-N 3.29Å; D51-I53 PolarHBondContact O-N 3.25Å; I53-Y56 PolarHBondContact O-N 3.15Å; I53-L57 HydrophobicContact CG2-CD1 4.05Å; I53-L57 WeakPolarHBondContact O-CG 3.41Å; I53-L57 PolarHBondContact O-N 3.31Å; I53-L83 HydrophobicContact CG2-CD1 3.87Å |
| 54 | G | 89.3 | Confident | 88.1 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.7 | -48 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L50 D51 Y56 L57 S58 | L50-G54 PolarHBondContact O-N 3.16Å; D51-G54 PolarHBondContact O-N 3.22Å; G54-Y56 VanDerWaalsContact C-N 3.32Å; G54-Y56 PolarHBondContact O-N 3.18Å; G54-L57 PolarHBondContact O-N 2.97Å; G54-S58 WeakPolarHBondContact O-CB 3.26Å; G54-S58 PolarHBondContact O-N 3.11Å |
| 55 | A | 89.8 | Confident | 88.4 | Confident | 46 Ų | 46 | 42.4 Ų | 42.4 | 38% | 0.38 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.9 | -40.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D51 S58 E59 S98 | D51-A55 WeakPolarHBondContact O-CB 3.35Å; D51-A55 PolarHBondContact O-N 3.42Å; A55-S58 PolarHBondContact O-N 3.29Å; A55-E59 PolarHBondContact O-N 3.38Å; A55-S98 PolarHBondContact N-OG 3.35Å |
| 56 | Y | 91.9 | Very high | 88.6 | Confident | 28 Ų | 28 | 42.4 Ų | 42.4 | 11% | 0.11 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.1 | -41.2 | 178.4 | -174 | -120.9 | 0 | 0 | 0 | 112.5 | K16 V19 D20 R52 I53 G54 S58 E59 R60 | K16-Y56 HydrophobicContact CB-CD1 4.48Å; K16-Y56 HydrophobicContact CB-CE1 4.08Å; K16-Y56 HydrophobicContact CD-CD2 4.23Å; K16-Y56 HydrophobicContact CD-CE1 4.47Å; K16-Y56 HydrophobicContact CD-CE2 3.98Å; K16-Y56 HydrophobicContact CG-CD1 4.12Å; K16-Y56 HydrophobicContact CG-CD2 4.43Å; K16-Y56 HydrophobicContact CG-CE1 4.07Å; K16-Y56 HydrophobicContact CG-CE2 4.4Å; K16-Y56 HydrophobicContact CG-CG 4.3Å; V19-Y56 HydrophobicContact CB-CD1 3.98Å; V19-Y56 HydrophobicContact CB-CE1 4.16Å; V19-Y56 HydrophobicContact CG1-CD1 3.73Å; V19-Y56 HydrophobicContact CG1-CE1 3.91Å; V19-Y56 HydrophobicContact CG2-CD1 4.4Å; D20-Y56 PolarHBondContact OD1-OH 2.85Å; R52-Y56 WeakPolarHBondContact O-CB 3.42Å; R52-Y56 PolarHBondContact O-N 3.41Å; R52-Y56 VanDerWaalsContact O-N 3.15Å; I53-Y56 PolarHBondContact O-N 3.15Å; G54-Y56 VanDerWaalsContact C-N 3.32Å; G54-Y56 PolarHBondContact O-N 3.18Å; Y56-S58 VanDerWaalsContact C-N 3.32Å; Y56-E59 PolarHBondContact O-N 3.06Å; Y56-R60 WeakPolarHBondContact O-CB 3.47Å; Y56-R60 PolarHBondContact O-N 3.39Å |
| 57 | L | 91.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.1 | -40 | 172.6 | -77.2 | 171.4 | 0 | 0 | 0 | 111.5 | V19 I22 F23 I53 G54 R60 L61 L80 L83 M102 | V19-L57 HydrophobicContact CG1-CD2 3.52Å; V19-L57 HydrophobicContact CG1-CG 4.02Å; I22-L57 HydrophobicContact CD1-CD2 4.47Å; F23-L57 HydrophobicContact CE2-CD2 4.15Å; F23-L57 HydrophobicContact CZ-CD2 3.97Å; I53-L57 HydrophobicContact CG2-CD1 4.05Å; I53-L57 WeakPolarHBondContact O-CG 3.41Å; I53-L57 PolarHBondContact O-N 3.31Å; G54-L57 PolarHBondContact O-N 2.97Å; L57-R60 PolarHBondContact O-N 3Å; L57-L61 WeakPolarHBondContact O-CB 3.37Å; L57-L61 PolarHBondContact O-N 3.44Å; L57-L80 HydrophobicContact CB-CD1 4.36Å; L57-L80 HydrophobicContact CD1-CD1 3.86Å; L57-L83 HydrophobicContact CD1-CD1 4.04Å; L57-M102 HydrophobicContact CB-CE 4.25Å; L57-M102 HydrophobicContact CB-SD 4.3Å |
| 58 | S | 91.5 | Very high | 89.4 | Confident | 14 Ų | 14 | 52.8 Ų | 52.8 | 10% | 0.098 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.4 | -44.2 | 177.1 | -179.9 | 0 | 0 | 0 | 0 | 113.1 | G54 A55 Y56 R60 S62 M102 | G54-S58 WeakPolarHBondContact O-CB 3.26Å; G54-S58 PolarHBondContact O-N 3.11Å; A55-S58 PolarHBondContact O-N 3.29Å; Y56-S58 VanDerWaalsContact C-N 3.32Å; S58-R60 VanDerWaalsContact C-N 3.34Å; S58-S62 WeakPolarHBondContact O-CB 3.41Å; S58-S62 PolarHBondContact O-N 3.21Å; S58-S62 PolarHBondContact O-OG 3.13Å; S58-M102 VanDerWaalsContact CA-CG 3.45Å; S58-M102 WeakPolarHBondContact CA-SD 3.45Å; S58-M102 PolarHBondContact N-SD 3.49Å |
| 59 | E | 91.4 | Very high | 89.8 | Confident | 103 Ų | 103 | 51.9 Ų | 51.9 | 48% | 0.481 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.1 | -42.7 | 175.6 | -163.9 | -158.8 | 146.6 | 0 | 0 | 111.1 | A55 Y56 S62 R63 | A55-E59 PolarHBondContact O-N 3.38Å; Y56-E59 PolarHBondContact O-N 3.06Å; E59-S62 PolarHBondContact O-N 3.38Å; E59-R63 WeakPolarHBondContact O-CB 3.48Å; E59-R63 PolarHBondContact O-N 3.38Å; E59-R63 IonicContact OE1-CZ 2.82Å; E59-R63 IonicContact OE1-NH2 2.68Å; E59-R63 PolarHBondContact OE1-NH2 3.46Å |
| 60 | R | 91.6 | Very high | 90.1 | Very high | 46 Ų | 46 | 52 Ų | 52 | 17% | 0.174 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.4 | -49.2 | 178.5 | -174.8 | 174.6 | -176.9 | 146.9 | -3.4 | 111.8 | D20 F23 Y56 L57 S58 S62 R63 D64 | D20-R60 IonicContact OD1-CZ 2.66Å; D20-R60 IonicContact OD1-NH1 3.95Å; D20-R60 PolarHBondContact OD1-NH1 3.2Å; F23-R60 VanDerWaalsContact CD2-NH2 3.33Å; Y56-R60 WeakPolarHBondContact O-CB 3.47Å; Y56-R60 PolarHBondContact O-N 3.39Å; L57-R60 PolarHBondContact O-N 3Å; S58-R60 VanDerWaalsContact C-N 3.34Å; R60-S62 VanDerWaalsContact C-N 3.31Å; R60-S62 PolarHBondContact O-N 2.96Å; R60-R63 WeakPolarHBondContact O-CB 3.48Å; R60-R63 PolarHBondContact O-N 2.82Å; R60-R63 VanDerWaalsContact O-N 3.15Å; R60-D64 PolarHBondContact O-N 3.32Å |
| 61 | L | 93 | Very high | 90.1 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.2 | -45.4 | 176.3 | 179.1 | 150 | 0 | 0 | 0 | 111.1 | L57 R63 D64 V65 V73 A76 M77 M102 K105 L106 | L57-L61 WeakPolarHBondContact O-CB 3.37Å; L57-L61 PolarHBondContact O-N 3.44Å; L61-R63 PolarHBondContact O-N 3.17Å; L61-D64 PolarHBondContact O-N 3.19Å; L61-D64 VanDerWaalsContact O-N 3.08Å; L61-V65 HydrophobicContact CD2-CG2 3.79Å; L61-V65 HydrophobicContact CG-CG2 4.28Å; L61-V65 WeakPolarHBondContact O-CG2 3.32Å; L61-V65 PolarHBondContact O-N 3.43Å; L61-V73 HydrophobicContact CD1-CG1 3.98Å; L61-V73 HydrophobicContact CG-CG1 4.09Å; L61-A76 HydrophobicContact CB-CB 4.3Å; L61-A76 HydrophobicContact CD1-CB 4.28Å; L61-M77 HydrophobicContact CD1-CG 3.71Å; L61-M77 HydrophobicContact CD1-SD 3.46Å; L61-M77 WeakPolarHBondContact CD1-SD 3.45Å; L61-M102 HydrophobicContact CB-CE 3.67Å; L61-M102 HydrophobicContact CD1-CB 4.29Å; L61-M102 HydrophobicContact CD1-CE 3.35Å; L61-M102 HydrophobicContact CD1-CG 4.41Å; L61-M102 HydrophobicContact CD2-CB 4.46Å; L61-M102 HydrophobicContact CD2-CG 4.47Å; L61-M102 HydrophobicContact CG-CE 4.08Å; L61-K105 HydrophobicContact CD2-CG 4.49Å; L61-L106 HydrophobicContact CD1-CD1 4.45Å; L61-L106 HydrophobicContact CD1-CD2 4.39Å; L61-L106 HydrophobicContact CD2-CD2 4.13Å; L61-L106 HydrophobicContact CD2-CG 4.5Å |
| 62 | S | 90.8 | Very high | 90.3 | Very high | 44 Ų | 44 | 52.4 Ų | 52.4 | 31% | 0.308 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -58.1 | -40.7 | 178.5 | -61.9 | 0 | 0 | 0 | 0 | 111.8 | S58 E59 R60 A66 | S58-S62 WeakPolarHBondContact O-CB 3.41Å; S58-S62 PolarHBondContact O-N 3.21Å; S58-S62 PolarHBondContact O-OG 3.13Å; E59-S62 PolarHBondContact O-N 3.38Å; R60-S62 VanDerWaalsContact C-N 3.31Å; R60-S62 PolarHBondContact O-N 2.96Å; S62-A66 WeakPolarHBondContact O-CB 3.41Å; S62-A66 PolarHBondContact O-N 3.48Å; S62-A66 VanDerWaalsContact O-N 3.11Å |
| 63 | R | 92.3 | Very high | 90.5 | Very high | 102 Ų | 102 | 46.1 Ų | 46.1 | 39% | 0.385 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -67.1 | -39.8 | 175.7 | -168.3 | -173 | -57.1 | 169.9 | 2.1 | 112.3 | E59 R60 L61 A66 R67 | E59-R63 WeakPolarHBondContact O-CB 3.48Å; E59-R63 PolarHBondContact O-N 3.38Å; E59-R63 IonicContact OE1-CZ 2.82Å; E59-R63 IonicContact OE1-NH2 2.68Å; E59-R63 PolarHBondContact OE1-NH2 3.46Å; R60-R63 WeakPolarHBondContact O-CB 3.48Å; R60-R63 PolarHBondContact O-N 2.82Å; R60-R63 VanDerWaalsContact O-N 3.15Å; L61-R63 PolarHBondContact O-N 3.17Å; R63-A66 PolarHBondContact O-N 3.27Å; R63-R67 WeakPolarHBondContact O-CB 3.33Å; R63-R67 VanDerWaalsContact O-CG 3.26Å; R63-R67 WeakPolarHBondContact O-CG 3.4Å; R63-R67 PolarHBondContact O-N 3.14Å |
| 64 | D | 91.1 | Very high | 90.6 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -74 | -34.7 | -178.8 | -71.2 | -27.3 | 0 | 0 | 0 | 112.6 | R60 L61 R67 H68 R69 V73 | R60-D64 PolarHBondContact O-N 3.32Å; L61-D64 PolarHBondContact O-N 3.19Å; L61-D64 VanDerWaalsContact O-N 3.08Å; D64-R67 CarbonylContact O-C 3.5Å; D64-R67 PolarHBondContact O-N 2.91Å; D64-H68 PolarHBondContact O-N 3.06Å; D64-H68 VanDerWaalsContact O-N 3.11Å; D64-R69 HydrophobicContact CB-CB 4.38Å; D64-R69 PolarHBondContact O-N 3.49Å; D64-R69 IonicContact OD1-CZ 3.45Å; D64-R69 IonicContact OD1-NE 3.68Å; D64-R69 PolarHBondContact OD1-NE 3.08Å; D64-R69 VanDerWaalsContact OD1-NE 3.08Å; D64-R69 IonicContact OD1-NH2 2.75Å; D64-R69 PolarHBondContact OD1-NH2 3.4Å; D64-V73 HydrophobicContact CB-CG2 3.81Å |
| 65 | V | 90.8 | Very high | 90.6 | Very high | 19 Ų | 19 | 49.2 Ų | 49.2 | 12% | 0.115 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.6 | -49.1 | 168 | 172.2 | 0 | 0 | 0 | 0 | 110.3 | L61 R67 H68 V73 L106 | L61-V65 HydrophobicContact CD2-CG2 3.79Å; L61-V65 HydrophobicContact CG-CG2 4.28Å; L61-V65 WeakPolarHBondContact O-CG2 3.32Å; L61-V65 PolarHBondContact O-N 3.43Å; V65-R67 PolarHBondContact O-N 3.04Å; V65-H68 PolarHBondContact O-N 3.33Å; V65-H68 VanDerWaalsContact O-N 3.1Å; V65-V73 HydrophobicContact CG2-CG1 4.09Å; V65-V73 HydrophobicContact CG2-CG2 3.73Å; V65-L106 HydrophobicContact CG2-CD2 4.05Å |
| 66 | A | 89.8 | Confident | 90.7 | Very high | 73 Ų | 73 | 47 Ų | 47 | 60% | 0.603 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -62.6 | -31.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | S62 R63 H68 | S62-A66 WeakPolarHBondContact O-CB 3.41Å; S62-A66 PolarHBondContact O-N 3.48Å; S62-A66 VanDerWaalsContact O-N 3.11Å; R63-A66 PolarHBondContact O-N 3.27Å; A66-H68 VanDerWaalsContact C-N 3.34Å; A66-H68 PolarHBondContact O-ND1 2.92Å |
| 67 | R | 91.8 | Very high | 90.7 | Very high | 146 Ų | 146 | 45.7 Ų | 45.7 | 55% | 0.551 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89 | 5.8 | 177.6 | -69.1 | 176.1 | 179.7 | -170.5 | -2.8 | 114 | R63 D64 V65 R69 | R63-R67 WeakPolarHBondContact O-CB 3.33Å; R63-R67 VanDerWaalsContact O-CG 3.26Å; R63-R67 WeakPolarHBondContact O-CG 3.4Å; R63-R67 PolarHBondContact O-N 3.14Å; D64-R67 CarbonylContact O-C 3.5Å; D64-R67 PolarHBondContact O-N 2.91Å; V65-R67 PolarHBondContact O-N 3.04Å; R67-R69 HydrophobicContact CB-CG 4.04Å; R67-R69 PolarHBondContact O-N 3.07Å |
| 68 | H | 88.2 | Confident | 90.7 | Very high | 129 Ų | 129 | 49.6 Ų | 49.6 | 60% | 0.597 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 28.5 | 179.6 | -55.1 | 70.5 | 0 | 0 | 0 | 114 | D64 V65 A66 Y70 | D64-H68 PolarHBondContact O-N 3.06Å; D64-H68 VanDerWaalsContact O-N 3.11Å; V65-H68 PolarHBondContact O-N 3.33Å; V65-H68 VanDerWaalsContact O-N 3.1Å; A66-H68 VanDerWaalsContact C-N 3.34Å; A66-H68 PolarHBondContact O-ND1 2.92Å; H68-Y70 HydrophobicContact CB-CE2 4.01Å; H68-Y70 PolarHBondContact CD2-OH 3.03Å; H68-Y70 WeakPolarHBondContact O-CD2 3.34Å; H68-Y70 WeakPolarHBondContact O-CE2 3.4Å; H68-Y70 PolarHBondContact O-N 2.92Å |
| 69 | R | 89.1 | Confident | 90.6 | Very high | 97 Ų | 97 | 48.9 Ų | 48.9 | 37% | 0.366 | 24% | 0.239 | S | C | . | . | trans | -98.2 | 69.4 | -177.1 | -65.7 | -160.9 | -64 | 178.8 | -2.5 | 111.8 | D64 R67 G71 Y72 V73 | D64-R69 HydrophobicContact CB-CB 4.38Å; D64-R69 PolarHBondContact O-N 3.49Å; D64-R69 IonicContact OD1-CZ 3.45Å; D64-R69 IonicContact OD1-NE 3.68Å; D64-R69 PolarHBondContact OD1-NE 3.08Å; D64-R69 VanDerWaalsContact OD1-NE 3.08Å; D64-R69 IonicContact OD1-NH2 2.75Å; D64-R69 PolarHBondContact OD1-NH2 3.4Å; R67-R69 HydrophobicContact CB-CG 4.04Å; R67-R69 PolarHBondContact O-N 3.07Å; R69-G71 PolarHBondContact O-N 2.89Å; R69-Y72 HydrophobicContact CB-CD2 4.02Å; R69-Y72 PolarHBondContact O-N 2.96Å; R69-V73 PolarHBondContact O-N 3.42Å | ||
| 70 | Y | 88.9 | Confident | 90.5 | Very high | 57 Ų | 57 | 44 Ų | 44 | 22% | 0.224 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.4 | -29 | -165.6 | -53.6 | -61 | 0 | 0 | 0 | 115.7 | H68 Y72 V73 C74 K111 L114 | H68-Y70 HydrophobicContact CB-CE2 4.01Å; H68-Y70 PolarHBondContact CD2-OH 3.03Å; H68-Y70 WeakPolarHBondContact O-CD2 3.34Å; H68-Y70 WeakPolarHBondContact O-CE2 3.4Å; H68-Y70 PolarHBondContact O-N 2.92Å; Y70-Y72 VanDerWaalsContact C-N 3.33Å; Y70-Y72 PolarHBondContact O-N 3.3Å; Y70-V73 WeakPolarHBondContact O-CA 3.4Å; Y70-V73 VanDerWaalsContact O-CB 3.3Å; Y70-V73 WeakPolarHBondContact O-CB 3.37Å; Y70-V73 PolarHBondContact O-N 2.92Å; Y70-C74 PolarHBondContact O-N 3.43Å; Y70-C74 PolarHBondContact O-SG 2.95Å; Y70-K111 HydrophobicContact CE1-CD 4.05Å; Y70-K111 HydrophobicContact CE2-CD 3.99Å; Y70-K111 WeakPolarHBondContact OH-CE 3.34Å; Y70-K111 PolarHBondContact OH-NZ 2.86Å; Y70-L114 HydrophobicContact CD1-CD1 3.73Å; Y70-L114 HydrophobicContact CD1-CD2 3.92Å; Y70-L114 HydrophobicContact CD1-CG 4.23Å; Y70-L114 HydrophobicContact CE1-CD1 3.66Å |
| 71 | G | 88.1 | Confident | 90.4 | Very high | 23 Ų | 23 | 42.2 Ų | 42.2 | 24% | 0.237 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.7 | -40.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R69 V73 C74 I75 | R69-G71 PolarHBondContact O-N 2.89Å; G71-V73 VanDerWaalsContact C-N 3.3Å; G71-V73 PolarHBondContact O-N 3.41Å; G71-C74 WeakPolarHBondContact O-CB 3.5Å; G71-C74 PolarHBondContact O-N 3.39Å; G71-I75 WeakPolarHBondContact O-CG1 3.28Å; G71-I75 PolarHBondContact O-N 3.36Å; G71-I75 VanDerWaalsContact O-N 3.12Å |
| 72 | Y | 89.1 | Confident | 90.2 | Very high | 40 Ų | 40 | 45.6 Ų | 45.6 | 16% | 0.157 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.8 | -26 | 172.9 | -59 | -70.3 | 0 | 0 | 0 | 113.1 | F23 P24 E25 P27 R69 Y70 I75 A76 | F23-Y72 HydrophobicContact CD1-CD1 4.14Å; P24-Y72 WeakPolarHBondContact O-CE1 3.47Å; E25-Y72 PolarHBondContact O-OH 3.2Å; P27-Y72 HydrophobicContact CB-CD1 4.33Å; P27-Y72 HydrophobicContact CB-CD2 4.32Å; P27-Y72 HydrophobicContact CB-CE1 4.2Å; P27-Y72 HydrophobicContact CB-CE2 4.21Å; P27-Y72 HydrophobicContact CB-CG 4.41Å; P27-Y72 HydrophobicContact CG-CE2 4.2Å; R69-Y72 HydrophobicContact CB-CD2 4.02Å; R69-Y72 PolarHBondContact O-N 2.96Å; Y70-Y72 VanDerWaalsContact C-N 3.33Å; Y70-Y72 PolarHBondContact O-N 3.3Å; Y72-I75 HydrophobicContact CD1-CD1 4.35Å; Y72-I75 PolarHBondContact O-N 2.99Å; Y72-A76 WeakPolarHBondContact O-CB 3.49Å; Y72-A76 PolarHBondContact O-N 2.85Å |
| 73 | V | 91.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.3 | -42.5 | 171.8 | 175.4 | 0 | 0 | 0 | 0 | 110.4 | L61 D64 V65 R69 Y70 G71 A76 M77 L106 L114 L117 | L61-V73 HydrophobicContact CD1-CG1 3.98Å; L61-V73 HydrophobicContact CG-CG1 4.09Å; D64-V73 HydrophobicContact CB-CG2 3.81Å; V65-V73 HydrophobicContact CG2-CG1 4.09Å; V65-V73 HydrophobicContact CG2-CG2 3.73Å; R69-V73 PolarHBondContact O-N 3.42Å; Y70-V73 WeakPolarHBondContact O-CA 3.4Å; Y70-V73 VanDerWaalsContact O-CB 3.3Å; Y70-V73 WeakPolarHBondContact O-CB 3.37Å; Y70-V73 PolarHBondContact O-N 2.92Å; G71-V73 VanDerWaalsContact C-N 3.3Å; G71-V73 PolarHBondContact O-N 3.41Å; V73-A76 PolarHBondContact O-N 2.87Å; V73-M77 PolarHBondContact O-N 3.36Å; V73-L106 HydrophobicContact CG1-CD2 3.55Å; V73-L114 HydrophobicContact CG1-CD2 4.11Å; V73-L117 HydrophobicContact CG1-CD2 4.49Å |
| 74 | C | 90.3 | Very high | 89.9 | Confident | 61 Ų | 61 | 38.7 Ų | 38.7 | 41% | 0.412 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -59.3 | -47.3 | 174 | -64.2 | 0 | 0 | 0 | 0 | 111.4 | Y70 G71 A76 M77 E78 L117 | Y70-C74 PolarHBondContact O-N 3.43Å; Y70-C74 PolarHBondContact O-SG 2.95Å; G71-C74 WeakPolarHBondContact O-CB 3.5Å; G71-C74 PolarHBondContact O-N 3.39Å; C74-A76 PolarHBondContact O-N 2.91Å; C74-M77 PolarHBondContact O-N 3.42Å; C74-E78 WeakPolarHBondContact O-CB 3.36Å; C74-E78 PolarHBondContact O-N 3.42Å; C74-L117 HydrophobicContact CB-CD2 4.49Å |
| 75 | I | 90.8 | Very high | 89.6 | Confident | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.2 | -42.5 | 178.4 | -64.6 | 163.5 | 0 | 0 | 0 | 111.2 | F23 P24 L31 G71 Y72 M77 E78 A79 | F23-I75 HydrophobicContact CD1-CB 4.15Å; F23-I75 HydrophobicContact CD1-CG2 3.64Å; F23-I75 HydrophobicContact CE1-CB 4.14Å; F23-I75 HydrophobicContact CE1-CG2 3.77Å; F23-I75 HydrophobicContact CG-CG2 4.42Å; P24-I75 HydrophobicContact CG-CD1 4.01Å; L31-I75 HydrophobicContact CB-CG2 4.22Å; L31-I75 HydrophobicContact CD1-CG2 3.8Å; G71-I75 WeakPolarHBondContact O-CG1 3.28Å; G71-I75 PolarHBondContact O-N 3.36Å; G71-I75 VanDerWaalsContact O-N 3.12Å; Y72-I75 HydrophobicContact CD1-CD1 4.35Å; Y72-I75 PolarHBondContact O-N 2.99Å; I75-M77 PolarHBondContact O-N 2.91Å; I75-E78 PolarHBondContact O-N 3.45Å; I75-A79 WeakPolarHBondContact O-CB 3.31Å; I75-A79 PolarHBondContact O-N 3.05Å |
| 76 | A | 91.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.3 | -40.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F23 L61 Y72 V73 C74 L80 M102 | F23-A76 HydrophobicContact CE1-CB 3.98Å; F23-A76 HydrophobicContact CZ-CB 3.98Å; L61-A76 HydrophobicContact CB-CB 4.3Å; L61-A76 HydrophobicContact CD1-CB 4.28Å; Y72-A76 WeakPolarHBondContact O-CB 3.49Å; Y72-A76 PolarHBondContact O-N 2.85Å; V73-A76 PolarHBondContact O-N 2.87Å; C74-A76 PolarHBondContact O-N 2.91Å; A76-L80 WeakPolarHBondContact O-CB 3.28Å; A76-L80 PolarHBondContact O-N 3.27Å; A76-M102 HydrophobicContact CB-CE 4.43Å |
| 77 | M | 91.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.6 | -41.3 | 175.3 | -73 | -54.3 | -63.4 | 0 | 0 | 112.6 | L61 V73 C74 I75 A79 L80 D81 M102 V103 L106 L117 S121 | L61-M77 HydrophobicContact CD1-CG 3.71Å; L61-M77 HydrophobicContact CD1-SD 3.46Å; L61-M77 WeakPolarHBondContact CD1-SD 3.45Å; V73-M77 PolarHBondContact O-N 3.36Å; C74-M77 PolarHBondContact O-N 3.42Å; I75-M77 PolarHBondContact O-N 2.91Å; M77-A79 PolarHBondContact O-N 3.26Å; M77-L80 WeakPolarHBondContact O-CB 3.49Å; M77-L80 PolarHBondContact O-N 3.39Å; M77-L80 HydrophobicContact SD-CD2 4.39Å; M77-D81 PolarHBondContact O-N 2.97Å; M77-M102 HydrophobicContact SD-CB 4.08Å; M77-M102 HydrophobicContact SD-CE 3.97Å; M77-V103 HydrophobicContact CE-CG2 3.97Å; M77-L106 HydrophobicContact CE-CD1 3.97Å; M77-L106 HydrophobicContact CG-CD1 3.44Å; M77-L106 VanDerWaalsContact CG-CD1 3.44Å; M77-L106 HydrophobicContact SD-CD1 3.55Å; M77-L106 VanDerWaalsContact SD-CD1 3.55Å; M77-L117 HydrophobicContact CB-CD1 4.31Å; M77-L117 HydrophobicContact CB-CD2 4.11Å; M77-L117 HydrophobicContact CB-CG 4.23Å; M77-L117 HydrophobicContact CG-CD2 3.91Å; M77-L117 HydrophobicContact CG-CG 4.19Å; M77-S121 WeakPolarHBondContact CE-OG 3.46Å |
| 78 | E | 90.1 | Very high | 87.6 | Confident | 82 Ų | 82 | 37.9 Ų | 37.9 | 38% | 0.383 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.8 | -43.4 | 178.4 | -171.6 | -178.8 | 173.7 | 0 | 0 | 111.7 | L31 C74 I75 L80 D81 Q82 | L31-E78 HydrophobicContact CD2-CB 4.28Å; L31-E78 HydrophobicContact CD2-CG 3.86Å; C74-E78 WeakPolarHBondContact O-CB 3.36Å; C74-E78 PolarHBondContact O-N 3.42Å; I75-E78 PolarHBondContact O-N 3.45Å; E78-L80 VanDerWaalsContact C-N 3.27Å; E78-L80 PolarHBondContact O-N 2.93Å; E78-D81 PolarHBondContact O-N 3.48Å; E78-Q82 WeakPolarHBondContact O-CG 3.48Å; E78-Q82 PolarHBondContact O-N 2.87Å |
| 79 | A | 90.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.2 | -40.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I22 L31 M36 I75 M77 Q82 L83 | I22-A79 HydrophobicContact CD1-CB 3.39Å; L31-A79 HydrophobicContact CD1-CB 3.97Å; L31-A79 HydrophobicContact CD2-CB 4.46Å; M36-A79 HydrophobicContact CE-CB 4.28Å; M36-A79 VanDerWaalsContact CE-O 3.32Å; M36-A79 WeakPolarHBondContact CE-O 3.29Å; M36-A79 HydrophobicContact SD-CB 3.66Å; I75-A79 WeakPolarHBondContact O-CB 3.31Å; I75-A79 PolarHBondContact O-N 3.05Å; M77-A79 PolarHBondContact O-N 3.26Å; A79-Q82 PolarHBondContact O-N 2.82Å; A79-L83 WeakPolarHBondContact O-CG 3.47Å; A79-L83 PolarHBondContact O-N 2.95Å |
| 80 | L | 89.2 | Confident | 84.8 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.6 | -41.5 | -179.5 | -162.8 | 78.6 | 0 | 0 | 0 | 112.2 | L57 A76 M77 E78 Q82 L83 L84 F95 F99 M102 | L57-L80 HydrophobicContact CB-CD1 4.36Å; L57-L80 HydrophobicContact CD1-CD1 3.86Å; A76-L80 WeakPolarHBondContact O-CB 3.28Å; A76-L80 PolarHBondContact O-N 3.27Å; M77-L80 WeakPolarHBondContact O-CB 3.49Å; M77-L80 PolarHBondContact O-N 3.39Å; M77-L80 HydrophobicContact SD-CD2 4.39Å; E78-L80 VanDerWaalsContact C-N 3.27Å; E78-L80 PolarHBondContact O-N 2.93Å; L80-Q82 VanDerWaalsContact C-N 3.32Å; L80-Q82 PolarHBondContact O-N 3.5Å; L80-L83 PolarHBondContact O-N 3.24Å; L80-L84 VanDerWaalsContact O-CB 3.28Å; L80-L84 WeakPolarHBondContact O-CB 3.48Å; L80-L84 PolarHBondContact O-N 3.34Å; L80-F95 HydrophobicContact CD1-CE2 3.6Å; L80-F95 HydrophobicContact CD1-CZ 3.49Å; L80-F95 VanDerWaalsContact CD1-CZ 3.49Å; L80-F95 HydrophobicContact CG-CZ 4.02Å; L80-F99 HydrophobicContact CD2-CB 4.08Å; L80-F99 HydrophobicContact CD2-CD2 3.3Å; L80-F99 HydrophobicContact CD2-CE2 4.01Å; L80-F99 HydrophobicContact CD2-CG 4.04Å; L80-F99 HydrophobicContact CG-CD2 3.71Å; L80-F99 HydrophobicContact CG-CE2 4.43Å; L80-M102 HydrophobicContact CD1-SD 4.07Å; L80-M102 HydrophobicContact CD2-CB 4.36Å; L80-M102 HydrophobicContact CD2-CE 3.67Å; L80-M102 HydrophobicContact CD2-SD 3.4Å; L80-M102 WeakPolarHBondContact CD2-SD 3.31Å; L80-M102 HydrophobicContact CG-SD 4.34Å |
| 81 | D | 88.9 | Confident | 83.5 | Confident | 8 Ų | 8 | 37.7 Ų | 37.7 | 4% | 0.043 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.6 | -44.2 | 172.6 | -78.2 | -14.1 | 0 | 0 | 0 | 111.1 | M77 E78 L84 M85 S121 K124 | M77-D81 PolarHBondContact O-N 2.97Å; E78-D81 PolarHBondContact O-N 3.48Å; D81-L84 PolarHBondContact O-N 3.38Å; D81-M85 WeakPolarHBondContact O-CB 3.34Å; D81-M85 VanDerWaalsContact O-CG 3.28Å; D81-M85 WeakPolarHBondContact O-CG 3.47Å; D81-M85 PolarHBondContact O-N 3.15Å; D81-S121 WeakPolarHBondContact OD1-CA 3.47Å; D81-S121 VanDerWaalsContact OD1-CB 3.24Å; D81-S121 WeakPolarHBondContact OD1-CB 3.32Å; D81-K124 HydrophobicContact CB-CD 4.06Å; D81-K124 WeakPolarHBondContact OD2-CD 3.48Å; D81-K124 IonicContact OD2-NZ 3.14Å; D81-K124 PolarHBondContact OD2-NZ 3.41Å |
| 82 | Q | 89.7 | Confident | 82.8 | Confident | 72 Ų | 72 | 36.9 Ų | 36.9 | 34% | 0.336 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65.5 | -39.5 | 178.2 | -72.7 | -172.8 | 32.3 | 0 | 0 | 112.3 | M36 E78 A79 L80 A86 | M36-Q82 HydrophobicContact CE-CB 4.17Å; M36-Q82 VanDerWaalsContact CG-OE1 3.22Å; E78-Q82 WeakPolarHBondContact O-CG 3.48Å; E78-Q82 PolarHBondContact O-N 2.87Å; A79-Q82 PolarHBondContact O-N 2.82Å; L80-Q82 VanDerWaalsContact C-N 3.32Å; L80-Q82 PolarHBondContact O-N 3.5Å; Q82-A86 WeakPolarHBondContact O-CB 3.46Å; Q82-A86 PolarHBondContact O-N 3.26Å; Q82-A86 VanDerWaalsContact O-N 3.09Å |
| 83 | L | 88.8 | Confident | 82.2 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.4 | -42.1 | 173.8 | -70.8 | 171 | 0 | 0 | 0 | 111.6 | M36 L39 A43 I53 L57 A79 L80 M85 A86 C87 F95 | M36-L83 HydrophobicContact CE-CD1 4.17Å; M36-L83 HydrophobicContact CE-CD2 3.69Å; M36-L83 HydrophobicContact CE-CG 3.52Å; L39-L83 HydrophobicContact CD2-CD1 4.31Å; L39-L83 HydrophobicContact CG-CD2 4.41Å; A43-L83 HydrophobicContact CB-CD2 3.98Å; I53-L83 HydrophobicContact CG2-CD1 3.87Å; L57-L83 HydrophobicContact CD1-CD1 4.04Å; A79-L83 WeakPolarHBondContact O-CG 3.47Å; A79-L83 PolarHBondContact O-N 2.95Å; L80-L83 PolarHBondContact O-N 3.24Å; L83-M85 VanDerWaalsContact C-N 3.34Å; L83-M85 PolarHBondContact O-N 3.42Å; L83-A86 PolarHBondContact O-N 2.91Å; L83-C87 WeakPolarHBondContact O-CB 3.26Å; L83-C87 PolarHBondContact O-N 2.75Å; L83-F95 HydrophobicContact CB-CE1 4.41Å; L83-F95 HydrophobicContact CB-CE2 4.33Å; L83-F95 HydrophobicContact CB-CZ 3.71Å; L83-F95 HydrophobicContact CD1-CE2 4.31Å; L83-F95 HydrophobicContact CD1-CZ 4.4Å |
| 84 | L | 87 | Confident | 81.5 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.7 | -40.9 | 179.3 | -175.9 | 70.1 | 0 | 0 | 0 | 111.9 | L80 D81 A86 H88 I92 F95 V96 F99 F125 I128 | L80-L84 VanDerWaalsContact O-CB 3.28Å; L80-L84 WeakPolarHBondContact O-CB 3.48Å; L80-L84 PolarHBondContact O-N 3.34Å; D81-L84 PolarHBondContact O-N 3.38Å; L84-A86 VanDerWaalsContact C-N 3.35Å; L84-H88 PolarHBondContact O-CE1 3.19Å; L84-I92 HydrophobicContact CD1-CD1 4.28Å; L84-F95 HydrophobicContact CB-CE1 4.02Å; L84-F95 HydrophobicContact CD1-CD1 4.28Å; L84-F95 HydrophobicContact CD1-CE1 3.98Å; L84-V96 HydrophobicContact CD1-CG2 4.14Å; L84-F99 HydrophobicContact CD2-CD1 4.47Å; L84-F99 HydrophobicContact CD2-CD2 3.95Å; L84-F99 HydrophobicContact CD2-CE1 4.16Å; L84-F99 HydrophobicContact CD2-CE2 3.64Å; L84-F99 HydrophobicContact CD2-CG 4.41Å; L84-F99 HydrophobicContact CD2-CZ 3.76Å; L84-F125 HydrophobicContact CD1-CD2 4.4Å; L84-F125 HydrophobicContact CD2-CB 3.72Å; L84-F125 HydrophobicContact CD2-CD2 4.13Å; L84-F125 HydrophobicContact CD2-CG 4.44Å; L84-I128 HydrophobicContact CD1-CD1 3.85Å; L84-I128 HydrophobicContact CD2-CD1 3.79Å; L84-I128 HydrophobicContact CG-CD1 3.44Å; L84-I128 VanDerWaalsContact CG-CD1 3.44Å |
| 85 | M | 85.1 | Confident | 81.3 | Confident | 94 Ų | 94 | 39.1 Ų | 39.1 | 46% | 0.463 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -79 | -15.5 | 178.2 | -65.4 | -56.2 | -59.4 | 0 | 0 | 113.9 | D81 L83 H88 K124 I128 | D81-M85 WeakPolarHBondContact O-CB 3.34Å; D81-M85 VanDerWaalsContact O-CG 3.28Å; D81-M85 WeakPolarHBondContact O-CG 3.47Å; D81-M85 PolarHBondContact O-N 3.15Å; L83-M85 VanDerWaalsContact C-N 3.34Å; L83-M85 PolarHBondContact O-N 3.42Å; M85-H88 PolarHBondContact O-NE2 3.06Å; M85-K124 HydrophobicContact SD-CB 4.35Å; M85-I128 HydrophobicContact SD-CD1 4.24Å; M85-I128 HydrophobicContact SD-CG1 4.31Å |
| 86 | A | 84.1 | Confident | 81.1 | Confident | 38 Ų | 38 | 39 Ų | 39 | 31% | 0.314 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -99 | -29.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | T40 L44 Q82 L83 L84 | T40-A86 HydrophobicContact CG2-CB 3.43Å; T40-A86 VanDerWaalsContact CG2-CB 3.43Å; L44-A86 WeakPolarHBondContact CD2-O 3.47Å; Q82-A86 WeakPolarHBondContact O-CB 3.46Å; Q82-A86 PolarHBondContact O-N 3.26Å; Q82-A86 VanDerWaalsContact O-N 3.09Å; L83-A86 PolarHBondContact O-N 2.91Å; L84-A86 VanDerWaalsContact C-N 3.35Å |
| 87 | C | 76.9 | Confident | 80.9 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.014 | 22% | 0.216 | C | C | . | . | trans | -109.9 | 102.8 | -172.8 | -60.2 | 0 | 0 | 0 | 0 | 111.4 | L44 L50 L83 I92 | L44-C87 HydrophobicContact CD2-CB 4.45Å; L50-C87 HydrophobicContact CD2-CB 3.86Å; L83-C87 WeakPolarHBondContact O-CB 3.26Å; L83-C87 PolarHBondContact O-N 2.75Å; C87-I92 WeakPolarHBondContact O-CD1 3.45Å | ||
| 88 | H | 69.4 | Low | 80.7 | Confident | 87 Ų | 87 | 42.1 Ų | 42.1 | 40% | 0.403 | 22% | 0.219 | S | C | . | . | trans | -116.5 | 70.9 | 179.8 | -63.8 | -51.1 | 0 | 0 | 0 | 110.8 | L84 M85 E130 | L84-H88 PolarHBondContact O-CE1 3.19Å; M85-H88 PolarHBondContact O-NE2 3.06Å; H88-E130 VanDerWaalsContact CA-OE1 3.3Å; H88-E130 WeakPolarHBondContact CA-OE1 3.31Å; H88-E130 VanDerWaalsContact CB-OE1 3.3Å; H88-E130 WeakPolarHBondContact CB-OE1 3.23Å; H88-E130 IonicContact ND1-OE2 3Å | ||
| 89 | C | 61 | Low | 80.8 | Confident | 48 Ų | 48 | 38.2 Ų | 38.2 | 32% | 0.324 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -130.3 | 162.7 | -171.8 | -50.6 | 0 | 0 | 0 | 0 | 110.9 | S91 I92 | C89-S91 PolarHBondContact O-N 3.38Å; C89-I92 VanDerWaalsContact O-CB 3.25Å; C89-I92 WeakPolarHBondContact O-CB 3.5Å; C89-I92 WeakPolarHBondContact O-CG2 3.37Å; C89-I92 PolarHBondContact O-N 2.97Å |
| 90 | Q | 58.4 | Low | 80.8 | Confident | 194 Ų | 194 | 38.3 Ų | 38.3 | 91% | 0.907 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54 | -20.2 | 179 | -69 | 179 | -10.6 | 0 | 0 | 114.9 | ||
| 91 | S | 61.3 | Low | 80.9 | Confident | 38 Ų | 38 | 43.2 Ų | 43.2 | 27% | 0.266 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 2.5 | 176.8 | 64.2 | 0 | 0 | 0 | 0 | 114.9 | P47 C89 N93 | P47-S91 VanDerWaalsContact CB-OG 3.29Å; P47-S91 WeakPolarHBondContact CB-OG 3.46Å; P47-S91 PolarHBondContact O-OG 3.4Å; C89-S91 PolarHBondContact O-N 3.38Å; S91-N93 PolarHBondContact O-N 3.23Å |
| 92 | I | 73.8 | Confident | 81.1 | Confident | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.9 | -25.8 | -178.1 | -154.7 | -177.7 | 0 | 0 | 0 | 112.7 | L84 C87 C89 L94 F95 V96 E130 | L84-I92 HydrophobicContact CD1-CD1 4.28Å; C87-I92 WeakPolarHBondContact O-CD1 3.45Å; C89-I92 VanDerWaalsContact O-CB 3.25Å; C89-I92 WeakPolarHBondContact O-CB 3.5Å; C89-I92 WeakPolarHBondContact O-CG2 3.37Å; C89-I92 PolarHBondContact O-N 2.97Å; I92-L94 PolarHBondContact O-N 3.16Å; I92-F95 HydrophobicContact CG1-CD1 4.47Å; I92-F95 CarbonylContact O-C 3.38Å; I92-F95 WeakPolarHBondContact O-CB 3.46Å; I92-F95 PolarHBondContact O-N 3.05Å; I92-F95 VanDerWaalsContact O-N 3.12Å; I92-V96 HydrophobicContact CD1-CG2 4.4Å; I92-V96 HydrophobicContact CG1-CG2 4Å; I92-V96 VanDerWaalsContact O-CG2 3.31Å; I92-V96 WeakPolarHBondContact O-CG2 3.31Å; I92-V96 PolarHBondContact O-N 3.4Å; I92-E130 VanDerWaalsContact CD1-OE2 3.24Å; I92-E130 WeakPolarHBondContact CD1-OE2 3.32Å |
| 93 | N | 75.7 | Confident | 81.3 | Confident | 55 Ų | 55 | 39.4 Ų | 39.4 | 29% | 0.294 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.2 | -41.2 | -172.6 | -77.5 | -39 | 0 | 0 | 0 | 115.1 | S91 E97 D131 P133 S134 | S91-N93 PolarHBondContact O-N 3.23Å; N93-E97 PolarHBondContact O-N 3.36Å; N93-E97 VanDerWaalsContact O-N 3.17Å; N93-D131 PolarHBondContact OD1-O 2.82Å; N93-P133 WeakPolarHBondContact OD1-CD 3.18Å; N93-S134 PolarHBondContact O-OG 2.95Å; N93-S134 VanDerWaalsContact O-OG 3.11Å |
| 94 | L | 77.6 | Confident | 81.6 | Confident | 94 Ų | 94 | 43 Ų | 43 | 49% | 0.492 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -75.2 | -35.2 | 177.8 | -65.9 | 173.5 | 0 | 0 | 0 | 111.6 | D51 I92 E97 S98 | D51-L94 HydrophobicContact CB-CB 3.94Å; D51-L94 HydrophobicContact CB-CD1 4.39Å; D51-L94 WeakPolarHBondContact OD1-CB 3.4Å; I92-L94 PolarHBondContact O-N 3.16Å; L94-E97 WeakPolarHBondContact O-CB 3.48Å; L94-E97 PolarHBondContact O-N 2.77Å; L94-S98 PolarHBondContact O-N 3.04Å |
| 95 | F | 85.3 | Confident | 81.9 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.9 | -42.5 | 172.6 | 176.1 | -98.9 | 0 | 0 | 0 | 111.5 | L50 L80 L83 L84 I92 E97 S98 F99 | L50-F95 HydrophobicContact CD1-CD2 3.73Å; L50-F95 HydrophobicContact CD1-CE2 3.91Å; L50-F95 HydrophobicContact CD1-CG 4.09Å; L50-F95 HydrophobicContact CD1-CZ 4.43Å; L50-F95 HydrophobicContact CD2-CB 4.07Å; L50-F95 HydrophobicContact CD2-CD1 4.46Å; L50-F95 HydrophobicContact CD2-CG 4.11Å; L50-F95 HydrophobicContact CG-CB 3.87Å; L50-F95 HydrophobicContact CG-CD1 4.48Å; L50-F95 HydrophobicContact CG-CD2 3.74Å; L50-F95 HydrophobicContact CG-CE2 4.43Å; L50-F95 HydrophobicContact CG-CG 3.77Å; L50-F95 WeakPolarHBondContact O-CD2 3.35Å; L80-F95 HydrophobicContact CD1-CE2 3.6Å; L80-F95 HydrophobicContact CD1-CZ 3.49Å; L80-F95 VanDerWaalsContact CD1-CZ 3.49Å; L80-F95 HydrophobicContact CG-CZ 4.02Å; L83-F95 HydrophobicContact CB-CE1 4.41Å; L83-F95 HydrophobicContact CB-CE2 4.33Å; L83-F95 HydrophobicContact CB-CZ 3.71Å; L83-F95 HydrophobicContact CD1-CE2 4.31Å; L83-F95 HydrophobicContact CD1-CZ 4.4Å; L84-F95 HydrophobicContact CB-CE1 4.02Å; L84-F95 HydrophobicContact CD1-CD1 4.28Å; L84-F95 HydrophobicContact CD1-CE1 3.98Å; I92-F95 HydrophobicContact CG1-CD1 4.47Å; I92-F95 CarbonylContact O-C 3.38Å; I92-F95 WeakPolarHBondContact O-CB 3.46Å; I92-F95 PolarHBondContact O-N 3.05Å; I92-F95 VanDerWaalsContact O-N 3.12Å; F95-E97 VanDerWaalsContact C-N 3.28Å; F95-E97 PolarHBondContact O-N 2.97Å; F95-S98 WeakPolarHBondContact O-CB 3.32Å; F95-S98 PolarHBondContact O-N 3.37Å; F95-S98 VanDerWaalsContact O-N 3.12Å; F95-F99 PolarHBondContact O-N 3.46Å |
| 96 | V | 87.1 | Confident | 82.3 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.3 | -37.4 | 174.1 | 169.4 | 0 | 0 | 0 | 0 | 111.2 | L84 I92 S98 F99 L100 F125 T132 | L84-V96 HydrophobicContact CD1-CG2 4.14Å; I92-V96 HydrophobicContact CD1-CG2 4.4Å; I92-V96 HydrophobicContact CG1-CG2 4Å; I92-V96 VanDerWaalsContact O-CG2 3.31Å; I92-V96 WeakPolarHBondContact O-CG2 3.31Å; I92-V96 PolarHBondContact O-N 3.4Å; V96-S98 VanDerWaalsContact C-N 3.34Å; V96-S98 PolarHBondContact O-N 3.47Å; V96-F99 WeakPolarHBondContact O-CB 3.31Å; V96-F99 PolarHBondContact O-N 3.04Å; V96-L100 HydrophobicContact CG1-CD1 3.76Å; V96-L100 HydrophobicContact CG1-CG 4.02Å; V96-L100 WeakPolarHBondContact O-CB 3.39Å; V96-L100 VanDerWaalsContact O-CG 3.28Å; V96-L100 WeakPolarHBondContact O-CG 3.48Å; V96-L100 PolarHBondContact O-N 2.96Å; V96-F125 HydrophobicContact CB-CE2 4.46Å; V96-F125 HydrophobicContact CG1-CD2 4.4Å; V96-F125 HydrophobicContact CG1-CE2 3.49Å; V96-F125 VanDerWaalsContact CG1-CE2 3.49Å; V96-F125 HydrophobicContact CG1-CZ 3.9Å; V96-F125 HydrophobicContact CG2-CE2 4.06Å; V96-T132 HydrophobicContact CB-CG2 4.42Å; V96-T132 HydrophobicContact CG1-CG2 4.08Å; V96-T132 HydrophobicContact CG2-CG2 3.97Å |
| 97 | E | 87.4 | Confident | 82.8 | Confident | 57 Ų | 57 | 40.7 Ų | 40.7 | 27% | 0.266 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.6 | -45.1 | 174.2 | -166.4 | -172.6 | 150 | 0 | 0 | 111.6 | N93 L94 F95 F99 L100 K101 | N93-E97 PolarHBondContact O-N 3.36Å; N93-E97 VanDerWaalsContact O-N 3.17Å; L94-E97 WeakPolarHBondContact O-CB 3.48Å; L94-E97 PolarHBondContact O-N 2.77Å; F95-E97 VanDerWaalsContact C-N 3.28Å; F95-E97 PolarHBondContact O-N 2.97Å; E97-F99 VanDerWaalsContact C-N 3.34Å; E97-L100 PolarHBondContact O-N 3.06Å; E97-K101 WeakPolarHBondContact O-CB 3.25Å; E97-K101 VanDerWaalsContact O-CG 3.29Å; E97-K101 WeakPolarHBondContact O-CG 3.44Å; E97-K101 PolarHBondContact O-N 3.09Å; E97-K101 VanDerWaalsContact OE1-CE 3.22Å; E97-K101 WeakPolarHBondContact OE1-CE 3.36Å; E97-K101 IonicContact OE1-NZ 2.75Å; E97-K101 PolarHBondContact OE1-NZ 3.47Å |
| 98 | S | 88.9 | Confident | 83.5 | Confident | 9 Ų | 9 | 45 Ų | 45 | 6% | 0.063 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.3 | -38.9 | 175.1 | -64.7 | 0 | 0 | 0 | 0 | 111.9 | A55 L94 F95 V96 K101 M102 | A55-S98 PolarHBondContact N-OG 3.35Å; L94-S98 PolarHBondContact O-N 3.04Å; F95-S98 WeakPolarHBondContact O-CB 3.32Å; F95-S98 PolarHBondContact O-N 3.37Å; F95-S98 VanDerWaalsContact O-N 3.12Å; V96-S98 VanDerWaalsContact C-N 3.34Å; V96-S98 PolarHBondContact O-N 3.47Å; S98-K101 PolarHBondContact O-N 2.85Å; S98-M102 WeakPolarHBondContact O-CG 3.47Å; S98-M102 PolarHBondContact O-N 3.32Å; S98-M102 VanDerWaalsContact O-N 3.13Å |
| 99 | F | 90.8 | Very high | 84.5 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.6 | -52.2 | 174.5 | 174.2 | -86.3 | 0 | 0 | 0 | 112.3 | L80 L84 F95 V96 E97 K101 M102 V103 S121 F125 | L80-F99 HydrophobicContact CD2-CB 4.08Å; L80-F99 HydrophobicContact CD2-CD2 3.3Å; L80-F99 HydrophobicContact CD2-CE2 4.01Å; L80-F99 HydrophobicContact CD2-CG 4.04Å; L80-F99 HydrophobicContact CG-CD2 3.71Å; L80-F99 HydrophobicContact CG-CE2 4.43Å; L84-F99 HydrophobicContact CD2-CD1 4.47Å; L84-F99 HydrophobicContact CD2-CD2 3.95Å; L84-F99 HydrophobicContact CD2-CE1 4.16Å; L84-F99 HydrophobicContact CD2-CE2 3.64Å; L84-F99 HydrophobicContact CD2-CG 4.41Å; L84-F99 HydrophobicContact CD2-CZ 3.76Å; F95-F99 PolarHBondContact O-N 3.46Å; V96-F99 WeakPolarHBondContact O-CB 3.31Å; V96-F99 PolarHBondContact O-N 3.04Å; E97-F99 VanDerWaalsContact C-N 3.34Å; F99-K101 VanDerWaalsContact C-N 3.27Å; F99-K101 PolarHBondContact O-N 3.27Å; F99-M102 WeakPolarHBondContact O-CB 3.4Å; F99-M102 PolarHBondContact O-N 3.45Å; F99-M102 VanDerWaalsContact O-N 3.07Å; F99-V103 HydrophobicContact CD1-CG2 4.02Å; F99-V103 HydrophobicContact CE1-CG2 3.53Å; F99-V103 HydrophobicContact CE2-CG2 4.31Å; F99-V103 HydrophobicContact CZ-CG2 3.68Å; F99-V103 WeakPolarHBondContact O-CG2 3.47Å; F99-V103 PolarHBondContact O-N 2.99Å; F99-S121 WeakPolarHBondContact CZ-O 3.46Å; F99-F125 HydrophobicContact CD1-CB 4.4Å; F99-F125 HydrophobicContact CD1-CD2 4.38Å; F99-F125 HydrophobicContact CD1-CG 4.38Å; F99-F125 HydrophobicContact CE1-CB 3.51Å; F99-F125 HydrophobicContact CE1-CD2 4.27Å; F99-F125 AromaticContact CE1-CG 3.87Å; F99-F125 HydrophobicContact CE1-CG 3.87Å; F99-F125 HydrophobicContact CZ-CB 3.85Å |
| 100 | L | 91.2 | Very high | 85.6 | Confident | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.2 | -31.7 | -179.2 | -65.9 | 174.5 | 0 | 0 | 0 | 111.8 | V96 E97 R104 F122 F125 Y135 F142 | V96-L100 HydrophobicContact CG1-CD1 3.76Å; V96-L100 HydrophobicContact CG1-CG 4.02Å; V96-L100 WeakPolarHBondContact O-CB 3.39Å; V96-L100 VanDerWaalsContact O-CG 3.28Å; V96-L100 WeakPolarHBondContact O-CG 3.48Å; V96-L100 PolarHBondContact O-N 2.96Å; E97-L100 PolarHBondContact O-N 3.06Å; L100-R104 VanDerWaalsContact O-CB 3.22Å; L100-R104 WeakPolarHBondContact O-CB 3.47Å; L100-R104 PolarHBondContact O-N 3.3Å; L100-F122 HydrophobicContact CD2-CD2 4.36Å; L100-F122 HydrophobicContact CD2-CE2 4.35Å; L100-F125 HydrophobicContact CD1-CZ 4.48Å; L100-F125 HydrophobicContact CD2-CD1 4.13Å; L100-F125 HydrophobicContact CD2-CE1 3.94Å; L100-F125 HydrophobicContact CD2-CZ 4.26Å; L100-Y135 HydrophobicContact CD1-CD2 4.33Å; L100-F142 HydrophobicContact CB-CE2 4.39Å; L100-F142 HydrophobicContact CB-CZ 4.17Å; L100-F142 HydrophobicContact CD2-CE2 3.82Å; L100-F142 HydrophobicContact CD2-CZ 3.74Å; L100-F142 HydrophobicContact CG-CE2 4.48Å; L100-F142 HydrophobicContact CG-CZ 4.49Å |
| 101 | K | 91.1 | Very high | 87.1 | Confident | 102 Ų | 102 | 41.3 Ų | 41.3 | 44% | 0.443 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.3 | -43 | 170.8 | -77.3 | 171.5 | -175.4 | 166 | 0 | 112.1 | E97 S98 F99 K105 | E97-K101 WeakPolarHBondContact O-CB 3.25Å; E97-K101 VanDerWaalsContact O-CG 3.29Å; E97-K101 WeakPolarHBondContact O-CG 3.44Å; E97-K101 PolarHBondContact O-N 3.09Å; E97-K101 VanDerWaalsContact OE1-CE 3.22Å; E97-K101 WeakPolarHBondContact OE1-CE 3.36Å; E97-K101 IonicContact OE1-NZ 2.75Å; E97-K101 PolarHBondContact OE1-NZ 3.47Å; S98-K101 PolarHBondContact O-N 2.85Å; F99-K101 VanDerWaalsContact C-N 3.27Å; F99-K101 PolarHBondContact O-N 3.27Å; K101-K105 PolarHBondContact O-N 2.87Å |
| 102 | M | 92.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.9 | -48.9 | 175.9 | -70.9 | 169.9 | 71.7 | 0 | 0 | 111.4 | L57 S58 L61 A76 M77 L80 S98 F99 R104 K105 L106 | L57-M102 HydrophobicContact CB-CE 4.25Å; L57-M102 HydrophobicContact CB-SD 4.3Å; S58-M102 VanDerWaalsContact CA-CG 3.45Å; S58-M102 WeakPolarHBondContact CA-SD 3.45Å; S58-M102 PolarHBondContact N-SD 3.49Å; L61-M102 HydrophobicContact CB-CE 3.67Å; L61-M102 HydrophobicContact CD1-CB 4.29Å; L61-M102 HydrophobicContact CD1-CE 3.35Å; L61-M102 HydrophobicContact CD1-CG 4.41Å; L61-M102 HydrophobicContact CD2-CB 4.46Å; L61-M102 HydrophobicContact CD2-CG 4.47Å; L61-M102 HydrophobicContact CG-CE 4.08Å; A76-M102 HydrophobicContact CB-CE 4.43Å; M77-M102 HydrophobicContact SD-CB 4.08Å; M77-M102 HydrophobicContact SD-CE 3.97Å; L80-M102 HydrophobicContact CD1-SD 4.07Å; L80-M102 HydrophobicContact CD2-CB 4.36Å; L80-M102 HydrophobicContact CD2-CE 3.67Å; L80-M102 HydrophobicContact CD2-SD 3.4Å; L80-M102 WeakPolarHBondContact CD2-SD 3.31Å; L80-M102 HydrophobicContact CG-SD 4.34Å; S98-M102 WeakPolarHBondContact O-CG 3.47Å; S98-M102 PolarHBondContact O-N 3.32Å; S98-M102 VanDerWaalsContact O-N 3.13Å; F99-M102 WeakPolarHBondContact O-CB 3.4Å; F99-M102 PolarHBondContact O-N 3.45Å; F99-M102 VanDerWaalsContact O-N 3.07Å; M102-R104 VanDerWaalsContact C-N 3.33Å; M102-R104 PolarHBondContact O-N 3.47Å; M102-K105 WeakPolarHBondContact O-CB 3.34Å; M102-K105 PolarHBondContact O-N 3.05Å; M102-K105 VanDerWaalsContact O-N 3.11Å; M102-L106 WeakPolarHBondContact O-CG 3.42Å; M102-L106 PolarHBondContact O-N 3.33Å |
| 103 | V | 94.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.9 | -48 | 176.5 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | M77 F99 K105 L106 L107 F122 F142 | M77-V103 HydrophobicContact CE-CG2 3.97Å; F99-V103 HydrophobicContact CD1-CG2 4.02Å; F99-V103 HydrophobicContact CE1-CG2 3.53Å; F99-V103 HydrophobicContact CE2-CG2 4.31Å; F99-V103 HydrophobicContact CZ-CG2 3.68Å; F99-V103 WeakPolarHBondContact O-CG2 3.47Å; F99-V103 PolarHBondContact O-N 2.99Å; V103-K105 VanDerWaalsContact C-N 3.3Å; V103-K105 PolarHBondContact O-N 2.96Å; V103-L106 PolarHBondContact O-N 3.37Å; V103-L106 VanDerWaalsContact O-N 3.11Å; V103-L107 HydrophobicContact CG1-CD1 3.86Å; V103-L107 HydrophobicContact CG1-CG 4.21Å; V103-L107 WeakPolarHBondContact O-CG 3.08Å; V103-L107 PolarHBondContact O-N 3.17Å; V103-F122 HydrophobicContact CG1-CB 4.02Å; V103-F122 HydrophobicContact CG1-CD2 4.39Å; V103-F142 HydrophobicContact CB-CE1 4.49Å; V103-F142 HydrophobicContact CG1-CE1 3.82Å; V103-F142 HydrophobicContact CG1-CZ 4.41Å |
| 104 | R | 94.1 | Very high | 90.2 | Very high | 77 Ų | 77 | 43.8 Ų | 43.8 | 29% | 0.291 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -52.4 | -49.1 | 174.9 | 178.9 | -177.4 | -55.7 | -169.1 | 3 | 111.2 | L100 M102 L106 L107 E108 S138 F141 | L100-R104 VanDerWaalsContact O-CB 3.22Å; L100-R104 WeakPolarHBondContact O-CB 3.47Å; L100-R104 PolarHBondContact O-N 3.3Å; M102-R104 VanDerWaalsContact C-N 3.33Å; M102-R104 PolarHBondContact O-N 3.47Å; R104-L106 VanDerWaalsContact C-N 3.26Å; R104-L106 PolarHBondContact O-N 2.74Å; R104-L107 PolarHBondContact O-N 3.39Å; R104-E108 HydrophobicContact CG-CG 4.35Å; R104-E108 WeakPolarHBondContact CG-OE1 3.44Å; R104-E108 WeakPolarHBondContact O-CB 3.47Å; R104-E108 WeakPolarHBondContact O-CG 3.44Å; R104-E108 PolarHBondContact O-N 3.13Å; R104-S138 VanDerWaalsContact NH2-CB 3.32Å; R104-S138 PolarHBondContact NH2-OG 3.38Å; R104-F141 HydrophobicContact CB-CE1 3.98Å; R104-F141 HydrophobicContact CB-CZ 4.33Å; R104-F141 HydrophobicContact CG-CD1 4.05Å; R104-F141 HydrophobicContact CG-CD2 4.43Å; R104-F141 HydrophobicContact CG-CE1 3.57Å; R104-F141 HydrophobicContact CG-CE2 3.95Å; R104-F141 HydrophobicContact CG-CG 4.48Å; R104-F141 HydrophobicContact CG-CZ 3.53Å |
| 105 | K | 93.4 | Very high | 90.9 | Very high | 84 Ų | 84 | 40.1 Ų | 40.1 | 37% | 0.365 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.2 | -34.4 | -179 | -171 | 58.7 | 176.3 | 176.4 | 0 | 113.1 | L61 K101 M102 V103 | L61-K105 HydrophobicContact CD2-CG 4.49Å; K101-K105 PolarHBondContact O-N 2.87Å; M102-K105 WeakPolarHBondContact O-CB 3.34Å; M102-K105 PolarHBondContact O-N 3.05Å; M102-K105 VanDerWaalsContact O-N 3.11Å; V103-K105 VanDerWaalsContact C-N 3.3Å; V103-K105 PolarHBondContact O-N 2.96Å |
| 106 | L | 94.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -73.4 | -42 | 175.8 | -64.3 | -177.1 | 0 | 0 | 0 | 112.4 | L61 V65 V73 M77 M102 V103 R104 E108 S109 L114 L117 | L61-L106 HydrophobicContact CD1-CD1 4.45Å; L61-L106 HydrophobicContact CD1-CD2 4.39Å; L61-L106 HydrophobicContact CD2-CD2 4.13Å; L61-L106 HydrophobicContact CD2-CG 4.5Å; V65-L106 HydrophobicContact CG2-CD2 4.05Å; V73-L106 HydrophobicContact CG1-CD2 3.55Å; M77-L106 HydrophobicContact CE-CD1 3.97Å; M77-L106 HydrophobicContact CG-CD1 3.44Å; M77-L106 VanDerWaalsContact CG-CD1 3.44Å; M77-L106 HydrophobicContact SD-CD1 3.55Å; M77-L106 VanDerWaalsContact SD-CD1 3.55Å; M102-L106 WeakPolarHBondContact O-CG 3.42Å; M102-L106 PolarHBondContact O-N 3.33Å; V103-L106 PolarHBondContact O-N 3.37Å; V103-L106 VanDerWaalsContact O-N 3.11Å; R104-L106 VanDerWaalsContact C-N 3.26Å; R104-L106 PolarHBondContact O-N 2.74Å; L106-E108 VanDerWaalsContact C-N 3.33Å; L106-E108 PolarHBondContact O-N 3.43Å; L106-S109 VanDerWaalsContact O-CB 3.27Å; L106-S109 WeakPolarHBondContact O-CB 3.35Å; L106-S109 PolarHBondContact O-N 3.44Å; L106-S109 VanDerWaalsContact O-N 3.16Å; L106-L114 HydrophobicContact CD2-CB 4.38Å; L106-L114 HydrophobicContact CD2-CD2 4.34Å; L106-L117 HydrophobicContact CD1-CD2 4.24Å; L106-L117 HydrophobicContact CD1-CG 4.33Å |
| 107 | L | 94.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.4 | -33.4 | 178.6 | -64.9 | 177.5 | 0 | 0 | 0 | 112.3 | V103 R104 S109 Q115 F141 F142 R145 F146 M149 | V103-L107 HydrophobicContact CG1-CD1 3.86Å; V103-L107 HydrophobicContact CG1-CG 4.21Å; V103-L107 WeakPolarHBondContact O-CG 3.08Å; V103-L107 PolarHBondContact O-N 3.17Å; R104-L107 PolarHBondContact O-N 3.39Å; L107-S109 PolarHBondContact O-N 3.07Å; L107-Q115 WeakPolarHBondContact CD2-O 3.15Å; L107-F141 HydrophobicContact CB-CZ 4.48Å; L107-F141 HydrophobicContact CD1-CE1 4.38Å; L107-F142 HydrophobicContact CD1-CD1 3.88Å; L107-F142 HydrophobicContact CD1-CE1 3.9Å; L107-R145 HydrophobicContact CB-CG 3.91Å; L107-R145 PolarHBondContact O-NE 3.45Å; L107-R145 PolarHBondContact O-NH2 3.4Å; L107-F146 HydrophobicContact CD1-CD1 4.44Å; L107-F146 HydrophobicContact CD1-CE1 3.6Å; L107-F146 HydrophobicContact CD1-CZ 3.65Å; L107-F146 HydrophobicContact CD2-CE1 3.79Å; L107-F146 HydrophobicContact CG-CE1 4.37Å; L107-M149 HydrophobicContact CD2-SD 3.94Å |
| 108 | E | 92.4 | Very high | 92 | Very high | 93 Ų | 93 | 40.7 Ų | 40.7 | 44% | 0.435 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -13.2 | 173.1 | -74.6 | 172.9 | 175.4 | 0 | 0 | 113.6 | R104 L106 F141 | R104-E108 HydrophobicContact CG-CG 4.35Å; R104-E108 WeakPolarHBondContact CG-OE1 3.44Å; R104-E108 WeakPolarHBondContact O-CB 3.47Å; R104-E108 WeakPolarHBondContact O-CG 3.44Å; R104-E108 PolarHBondContact O-N 3.13Å; L106-E108 VanDerWaalsContact C-N 3.33Å; L106-E108 PolarHBondContact O-N 3.43Å; E108-F141 HydrophobicContact CG-CE2 3.97Å; E108-F141 HydrophobicContact CG-CZ 3.91Å |
| 109 | S | 89.4 | Confident | 92.3 | Very high | 22 Ų | 22 | 40.3 Ų | 40.3 | 15% | 0.154 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -73.9 | 145.1 | 178.3 | -172 | 0 | 0 | 0 | 0 | 111.7 | L106 L107 K111 Q115 | L106-S109 VanDerWaalsContact O-CB 3.27Å; L106-S109 WeakPolarHBondContact O-CB 3.35Å; L106-S109 PolarHBondContact O-N 3.44Å; L106-S109 VanDerWaalsContact O-N 3.16Å; L107-S109 PolarHBondContact O-N 3.07Å; S109-K111 PolarHBondContact O-N 3.37Å; S109-K111 PolarHBondContact OG-N 3.16Å; S109-Q115 WeakPolarHBondContact O-CG 3.42Å; S109-Q115 PolarHBondContact O-NE2 2.9Å |
| 110 | D | 84.8 | Confident | 92.5 | Very high | 145 Ų | 145 | 43.7 Ų | 43.7 | 78% | 0.775 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -74.1 | -3.6 | 171.7 | -57.6 | -45.5 | 0 | 0 | 0 | 113.5 | P112 | D110-P112 WeakPolarHBondContact O-CD 3.48Š|
| 111 | K | 89.6 | Confident | 92.6 | Very high | 84 Ų | 84 | 43.6 Ų | 43.6 | 37% | 0.365 | 21% | 0.213 | S | C | . | . | trans | -88.3 | 121 | -176.7 | -67 | -162.8 | 171.3 | -167.9 | 0 | 111.9 | Y70 S109 N113 L114 Q115 | Y70-K111 HydrophobicContact CE1-CD 4.05Å; Y70-K111 HydrophobicContact CE2-CD 3.99Å; Y70-K111 WeakPolarHBondContact OH-CE 3.34Å; Y70-K111 PolarHBondContact OH-NZ 2.86Å; S109-K111 PolarHBondContact O-N 3.37Å; S109-K111 PolarHBondContact OG-N 3.16Å; K111-N113 VanDerWaalsContact C-N 3.33Å; K111-N113 PolarHBondContact O-N 2.99Å; K111-L114 HydrophobicContact CB-CB 4.34Å; K111-L114 HydrophobicContact CB-CD1 4.16Å; K111-L114 HydrophobicContact CB-CG 4.06Å; K111-L114 PolarHBondContact O-N 2.96Å; K111-L114 VanDerWaalsContact O-N 3.08Å; K111-Q115 PolarHBondContact O-N 3.04Å; K111-Q115 VanDerWaalsContact O-N 3.15Å | ||
| 112 | P | 91.1 | Very high | 92.7 | Very high | 15 Ų | 15 | 38.7 Ų | 38.7 | 10% | 0.097 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -54.8 | -43.8 | -178.7 | -27.9 | 35.1 | 0 | 0 | 0 | 113.8 | D110 L114 Q115 I116 Y154 I159 I163 | D110-P112 WeakPolarHBondContact O-CD 3.48Å; P112-L114 VanDerWaalsContact C-N 3.29Å; P112-L114 PolarHBondContact O-N 3.4Å; P112-Q115 PolarHBondContact O-N 3.39Å; P112-I116 WeakPolarHBondContact O-CD1 3.36Å; P112-I116 VanDerWaalsContact O-CG1 3.23Å; P112-I116 WeakPolarHBondContact O-CG1 2.92Å; P112-I116 PolarHBondContact O-N 3.17Å; P112-Y154 HydrophobicContact CG-CD2 4.12Å; P112-Y154 HydrophobicContact CG-CE1 4.44Å; P112-Y154 HydrophobicContact CG-CE2 3.56Å; P112-I159 HydrophobicContact CB-CG2 3.55Å; P112-I159 HydrophobicContact CG-CG2 3.57Å; P112-I163 HydrophobicContact CB-CD1 3.84Å; P112-I163 HydrophobicContact CB-CG1 3.9Å; P112-I163 HydrophobicContact CG-CD1 3.89Å; P112-I163 HydrophobicContact CG-CG1 4.5Å |
| 113 | N | 91.1 | Very high | 92.7 | Very high | 130 Ų | 130 | 40.3 Ų | 40.3 | 70% | 0.695 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -63 | -34.9 | -178.6 | -66.5 | -16.8 | 0 | 0 | 0 | 112.7 | K111 L117 | K111-N113 VanDerWaalsContact C-N 3.33Å; K111-N113 PolarHBondContact O-N 2.99Å; N113-L117 WeakPolarHBondContact O-CB 3.41Å; N113-L117 PolarHBondContact O-N 3.46Å |
| 114 | L | 92.6 | Very high | 92.5 | Very high | 5 Ų | 5 | 44.4 Ų | 44.4 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -74.7 | -40.1 | 177.9 | -62.6 | -173.9 | 0 | 0 | 0 | 111.5 | Y70 V73 L106 K111 P112 I116 L117 G118 | Y70-L114 HydrophobicContact CD1-CD1 3.73Å; Y70-L114 HydrophobicContact CD1-CD2 3.92Å; Y70-L114 HydrophobicContact CD1-CG 4.23Å; Y70-L114 HydrophobicContact CE1-CD1 3.66Å; V73-L114 HydrophobicContact CG1-CD2 4.11Å; L106-L114 HydrophobicContact CD2-CB 4.38Å; L106-L114 HydrophobicContact CD2-CD2 4.34Å; K111-L114 HydrophobicContact CB-CB 4.34Å; K111-L114 HydrophobicContact CB-CD1 4.16Å; K111-L114 HydrophobicContact CB-CG 4.06Å; K111-L114 PolarHBondContact O-N 2.96Å; K111-L114 VanDerWaalsContact O-N 3.08Å; P112-L114 VanDerWaalsContact C-N 3.29Å; P112-L114 PolarHBondContact O-N 3.4Å; L114-I116 VanDerWaalsContact C-N 3.34Å; L114-I116 PolarHBondContact O-N 2.87Å; L114-L117 PolarHBondContact O-N 3.02Å; L114-G118 PolarHBondContact O-N 3.09Å |
| 115 | Q | 94 | Very high | 92.3 | Very high | 16 Ų | 16 | 40.8 Ų | 40.8 | 8% | 0.075 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.6 | -46.7 | 174 | -65.5 | 176 | -3.6 | 0 | 0 | 111 | L107 S109 K111 P112 L117 G118 T119 M149 | L107-Q115 WeakPolarHBondContact CD2-O 3.15Å; S109-Q115 WeakPolarHBondContact O-CG 3.42Å; S109-Q115 PolarHBondContact O-NE2 2.9Å; K111-Q115 PolarHBondContact O-N 3.04Å; K111-Q115 VanDerWaalsContact O-N 3.15Å; P112-Q115 PolarHBondContact O-N 3.39Å; Q115-L117 PolarHBondContact O-N 3.45Å; Q115-G118 PolarHBondContact O-N 3.34Å; Q115-T119 PolarHBondContact O-N 2.86Å; Q115-T119 PolarHBondContact O-OG1 2.87Å; Q115-M149 HydrophobicContact CB-CE 3.81Å; Q115-M149 HydrophobicContact CB-SD 4.42Å |
| 116 | I | 93.9 | Very high | 92 | Very high | 35 Ų | 35 | 37.1 Ų | 37.1 | 18% | 0.179 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.1 | -43.9 | 177.6 | -65.8 | 162.3 | 0 | 0 | 0 | 111.1 | P112 L114 T119 N120 K162 A166 | P112-I116 WeakPolarHBondContact O-CD1 3.36Å; P112-I116 VanDerWaalsContact O-CG1 3.23Å; P112-I116 WeakPolarHBondContact O-CG1 2.92Å; P112-I116 PolarHBondContact O-N 3.17Å; L114-I116 VanDerWaalsContact C-N 3.34Å; L114-I116 PolarHBondContact O-N 2.87Å; I116-T119 PolarHBondContact O-N 3.37Å; I116-N120 WeakPolarHBondContact O-CB 3.42Å; I116-N120 PolarHBondContact O-N 3.2Å; I116-N120 PolarHBondContact O-ND2 3.35Å; I116-K162 HydrophobicContact CD1-CB 3.84Å; I116-A166 HydrophobicContact CG1-CB 4.01Å |
| 117 | L | 93.6 | Very high | 91.5 | Very high | 35 Ų | 35 | 41.3 Ų | 41.3 | 18% | 0.183 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.1 | -45.6 | 176.6 | 179.3 | 65.6 | 0 | 0 | 0 | 111.7 | V73 C74 M77 L106 N113 L114 Q115 N120 S121 | V73-L117 HydrophobicContact CG1-CD2 4.49Å; C74-L117 HydrophobicContact CB-CD2 4.49Å; M77-L117 HydrophobicContact CB-CD1 4.31Å; M77-L117 HydrophobicContact CB-CD2 4.11Å; M77-L117 HydrophobicContact CB-CG 4.23Å; M77-L117 HydrophobicContact CG-CD2 3.91Å; M77-L117 HydrophobicContact CG-CG 4.19Å; L106-L117 HydrophobicContact CD1-CD2 4.24Å; L106-L117 HydrophobicContact CD1-CG 4.33Å; N113-L117 WeakPolarHBondContact O-CB 3.41Å; N113-L117 PolarHBondContact O-N 3.46Å; L114-L117 PolarHBondContact O-N 3.02Å; Q115-L117 PolarHBondContact O-N 3.45Å; L117-N120 PolarHBondContact O-N 3.28Å; L117-S121 PolarHBondContact O-N 3.29Å; L117-S121 VanDerWaalsContact O-N 3.09Å; L117-S121 PolarHBondContact O-OG 3.41Å |
| 118 | G | 94.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.4 | -47.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | L114 Q115 S121 F122 | L114-G118 PolarHBondContact O-N 3.09Å; Q115-G118 PolarHBondContact O-N 3.34Å; G118-S121 PolarHBondContact O-N 3.21Å; G118-F122 WeakPolarHBondContact O-CB 3.05Å; G118-F122 PolarHBondContact O-N 2.72Å |
| 119 | T | 95.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.2 | -49.4 | 174.9 | -63.9 | 0 | 0 | 0 | 0 | 111.9 | Q115 I116 S121 F122 V123 F146 A166 K169 | Q115-T119 PolarHBondContact O-N 2.86Å; Q115-T119 PolarHBondContact O-OG1 2.87Å; I116-T119 PolarHBondContact O-N 3.37Å; T119-S121 PolarHBondContact O-N 2.99Å; T119-F122 WeakPolarHBondContact O-CB 3.39Å; T119-F122 PolarHBondContact O-N 3.19Å; T119-F122 VanDerWaalsContact O-N 3.1Å; T119-V123 HydrophobicContact CG2-CG2 4.25Å; T119-V123 WeakPolarHBondContact O-CG2 3.5Å; T119-V123 PolarHBondContact O-N 3.13Å; T119-F146 HydrophobicContact CG2-CE1 4.36Å; T119-F146 WeakPolarHBondContact OG1-CE1 3.33Å; T119-A166 HydrophobicContact CG2-CB 4.01Å; T119-A166 WeakPolarHBondContact CG2-O 3.49Å; T119-K169 HydrophobicContact CG2-CB 4.1Å |
| 120 | N | 94.4 | Very high | 89.2 | Confident | 72 Ų | 72 | 47.6 Ų | 47.6 | 39% | 0.385 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.9 | -39.5 | -177.2 | -72.1 | -21.5 | 0 | 0 | 0 | 111.6 | I116 L117 V123 K124 | I116-N120 WeakPolarHBondContact O-CB 3.42Å; I116-N120 PolarHBondContact O-N 3.2Å; I116-N120 PolarHBondContact O-ND2 3.35Å; L117-N120 PolarHBondContact O-N 3.28Å; N120-V123 PolarHBondContact O-N 3.36Å; N120-K124 PolarHBondContact O-N 3.15Å |
| 121 | S | 93.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.5 | -45.7 | 175.2 | -48.4 | 0 | 0 | 0 | 0 | 110.5 | M77 D81 F99 L117 G118 T119 V123 K124 F125 | M77-S121 WeakPolarHBondContact CE-OG 3.46Å; D81-S121 WeakPolarHBondContact OD1-CA 3.47Å; D81-S121 VanDerWaalsContact OD1-CB 3.24Å; D81-S121 WeakPolarHBondContact OD1-CB 3.32Å; F99-S121 WeakPolarHBondContact CZ-O 3.46Å; L117-S121 PolarHBondContact O-N 3.29Å; L117-S121 VanDerWaalsContact O-N 3.09Å; L117-S121 PolarHBondContact O-OG 3.41Å; G118-S121 PolarHBondContact O-N 3.21Å; T119-S121 PolarHBondContact O-N 2.99Å; S121-V123 VanDerWaalsContact C-N 3.32Å; S121-V123 PolarHBondContact O-N 3.26Å; S121-K124 WeakPolarHBondContact O-CB 3.32Å; S121-K124 PolarHBondContact O-N 3.27Å; S121-K124 VanDerWaalsContact O-N 3.15Å; S121-F125 PolarHBondContact O-N 2.65Å |
| 122 | F | 93.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.1 | -39.3 | 175.9 | -177 | -94.2 | 0 | 0 | 0 | 113.1 | L100 V103 G118 T119 K124 F125 A126 Y135 F142 F146 V174 | L100-F122 HydrophobicContact CD2-CD2 4.36Å; L100-F122 HydrophobicContact CD2-CE2 4.35Å; V103-F122 HydrophobicContact CG1-CB 4.02Å; V103-F122 HydrophobicContact CG1-CD2 4.39Å; G118-F122 WeakPolarHBondContact O-CB 3.05Å; G118-F122 PolarHBondContact O-N 2.72Å; T119-F122 WeakPolarHBondContact O-CB 3.39Å; T119-F122 PolarHBondContact O-N 3.19Å; T119-F122 VanDerWaalsContact O-N 3.1Å; F122-K124 VanDerWaalsContact C-N 3.33Å; F122-K124 PolarHBondContact O-N 2.99Å; F122-F125 HydrophobicContact CD2-CD1 4.17Å; F122-F125 HydrophobicContact CE2-CD1 4.06Å; F122-F125 HydrophobicContact CE2-CE1 4.32Å; F122-F125 WeakPolarHBondContact O-CB 3.02Å; F122-F125 PolarHBondContact O-N 2.8Å; F122-A126 PolarHBondContact O-N 2.85Å; F122-Y135 HydrophobicContact CE2-CD2 4.34Å; F122-Y135 AromaticContact CE2-CE2 3.75Å; F122-Y135 HydrophobicContact CE2-CE2 3.75Å; F122-Y135 AromaticContact CZ-CE2 3.72Å; F122-Y135 HydrophobicContact CZ-CE2 3.72Å; F122-F142 HydrophobicContact CD2-CD1 4.2Å; F122-F142 HydrophobicContact CD2-CE1 4.07Å; F122-F142 HydrophobicContact CD2-CZ 4.32Å; F122-F142 HydrophobicContact CE2-CD1 4.06Å; F122-F142 HydrophobicContact CE2-CD2 4.04Å; F122-F142 HydrophobicContact CE2-CE1 4.21Å; F122-F142 HydrophobicContact CE2-CE2 4.18Å; F122-F142 AromaticContact CE2-CG 3.99Å; F122-F142 HydrophobicContact CE2-CG 3.99Å; F122-F142 HydrophobicContact CE2-CZ 4.27Å; F122-F142 HydrophobicContact CZ-CG 4.44Å; F122-F146 HydrophobicContact CB-CZ 4.08Å; F122-F146 AromaticContact CD1-CE2 3.57Å; F122-F146 HydrophobicContact CD1-CE2 3.57Å; F122-F146 AromaticContact CD1-CZ 3.63Å; F122-F146 HydrophobicContact CD1-CZ 3.63Å; F122-F146 HydrophobicContact CD2-CE2 4.37Å; F122-F146 HydrophobicContact CD2-CZ 4.35Å; F122-F146 AromaticContact CE1-CE2 3.6Å; F122-F146 HydrophobicContact CE1-CE2 3.6Å; F122-F146 HydrophobicContact CE1-CZ 4.16Å; F122-F146 HydrophobicContact CE2-CE2 4.39Å; F122-F146 AromaticContact CG-CE2 3.98Å; F122-F146 HydrophobicContact CG-CE2 3.98Å; F122-F146 AromaticContact CG-CZ 3.75Å; F122-F146 HydrophobicContact CG-CZ 3.75Å; F122-F146 HydrophobicContact CZ-CE2 4.03Å; F122-V174 HydrophobicContact CE1-CG2 3.83Å; F122-V174 HydrophobicContact CZ-CG2 3.84Å |
| 123 | V | 92 | Very high | 87.2 | Confident | 33 Ų | 33 | 42.7 Ų | 42.7 | 20% | 0.2 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.6 | -37.8 | 177.2 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | T119 N120 S121 A126 N127 K169 | T119-V123 HydrophobicContact CG2-CG2 4.25Å; T119-V123 WeakPolarHBondContact O-CG2 3.5Å; T119-V123 PolarHBondContact O-N 3.13Å; N120-V123 PolarHBondContact O-N 3.36Å; S121-V123 VanDerWaalsContact C-N 3.32Å; S121-V123 PolarHBondContact O-N 3.26Å; V123-A126 PolarHBondContact O-N 3.25Å; V123-N127 PolarHBondContact O-N 3.15Å; V123-N127 PolarHBondContact O-ND2 3.21Å; V123-N127 VanDerWaalsContact O-ND2 3.12Å; V123-K169 HydrophobicContact CG2-CB 4.03Å; V123-K169 WeakPolarHBondContact CG2-O 3.47Å |
| 124 | K | 90 | Very high | 86.5 | Confident | 86 Ų | 86 | 37 Ų | 37 | 37% | 0.374 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.5 | -45.5 | 173 | -66.7 | 172.5 | -175.1 | 174 | 0 | 110.9 | D81 M85 N120 S121 F122 A126 N127 | D81-K124 HydrophobicContact CB-CD 4.06Å; D81-K124 WeakPolarHBondContact OD2-CD 3.48Å; D81-K124 IonicContact OD2-NZ 3.14Å; D81-K124 PolarHBondContact OD2-NZ 3.41Å; M85-K124 HydrophobicContact SD-CB 4.35Å; N120-K124 PolarHBondContact O-N 3.15Å; S121-K124 WeakPolarHBondContact O-CB 3.32Å; S121-K124 PolarHBondContact O-N 3.27Å; S121-K124 VanDerWaalsContact O-N 3.15Å; F122-K124 VanDerWaalsContact C-N 3.33Å; F122-K124 PolarHBondContact O-N 2.99Å; K124-A126 VanDerWaalsContact C-N 3.33Å; K124-A126 PolarHBondContact O-N 3.23Å; K124-N127 PolarHBondContact O-N 3.24Å |
| 125 | F | 89.1 | Confident | 85.9 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 0% | 0.004 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.9 | -43.4 | 173.7 | 166 | -102.1 | 0 | 0 | 0 | 113 | L84 V96 F99 L100 S121 F122 N127 I128 T132 Y135 K177 | L84-F125 HydrophobicContact CD1-CD2 4.4Å; L84-F125 HydrophobicContact CD2-CB 3.72Å; L84-F125 HydrophobicContact CD2-CD2 4.13Å; L84-F125 HydrophobicContact CD2-CG 4.44Å; V96-F125 HydrophobicContact CB-CE2 4.46Å; V96-F125 HydrophobicContact CG1-CD2 4.4Å; V96-F125 HydrophobicContact CG1-CE2 3.49Å; V96-F125 VanDerWaalsContact CG1-CE2 3.49Å; V96-F125 HydrophobicContact CG1-CZ 3.9Å; V96-F125 HydrophobicContact CG2-CE2 4.06Å; F99-F125 HydrophobicContact CD1-CB 4.4Å; F99-F125 HydrophobicContact CD1-CD2 4.38Å; F99-F125 HydrophobicContact CD1-CG 4.38Å; F99-F125 HydrophobicContact CE1-CB 3.51Å; F99-F125 HydrophobicContact CE1-CD2 4.27Å; F99-F125 AromaticContact CE1-CG 3.87Å; F99-F125 HydrophobicContact CE1-CG 3.87Å; F99-F125 HydrophobicContact CZ-CB 3.85Å; L100-F125 HydrophobicContact CD1-CZ 4.48Å; L100-F125 HydrophobicContact CD2-CD1 4.13Å; L100-F125 HydrophobicContact CD2-CE1 3.94Å; L100-F125 HydrophobicContact CD2-CZ 4.26Å; S121-F125 PolarHBondContact O-N 2.65Å; F122-F125 HydrophobicContact CD2-CD1 4.17Å; F122-F125 HydrophobicContact CE2-CD1 4.06Å; F122-F125 HydrophobicContact CE2-CE1 4.32Å; F122-F125 WeakPolarHBondContact O-CB 3.02Å; F122-F125 PolarHBondContact O-N 2.8Å; F125-N127 PolarHBondContact O-N 2.89Å; F125-I128 WeakPolarHBondContact O-CB 3.12Å; F125-I128 PolarHBondContact O-N 2.9Å; F125-I128 VanDerWaalsContact O-N 3.09Å; F125-T132 HydrophobicContact CE2-CG2 4.06Å; F125-T132 HydrophobicContact CZ-CG2 4.34Å; F125-T132 WeakPolarHBondContact CZ-OG1 3.34Å; F125-Y135 HydrophobicContact CE1-CD2 4.02Å; F125-Y135 HydrophobicContact CE1-CG 4.26Å; F125-Y135 HydrophobicContact CZ-CG 4.44Å; F125-K177 HydrophobicContact CE1-CG 4.22Å |
| 126 | A | 87.4 | Confident | 85.2 | Confident | 7 Ų | 7 | 38.7 Ų | 38.7 | 6% | 0.058 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.8 | -21.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | F122 V123 K124 I128 G173 K177 | F122-A126 PolarHBondContact O-N 2.85Å; V123-A126 PolarHBondContact O-N 3.25Å; K124-A126 VanDerWaalsContact C-N 3.33Å; K124-A126 PolarHBondContact O-N 3.23Å; A126-I128 VanDerWaalsContact C-N 3.31Å; A126-G173 VanDerWaalsContact CB-O 3.3Å; A126-G173 WeakPolarHBondContact CB-O 3.5Å; A126-K177 HydrophobicContact CB-CB 4.46Å |
| 127 | N | 84.8 | Confident | 84.6 | Confident | 88 Ų | 88 | 46.6 Ų | 46.6 | 47% | 0.471 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -0.4 | 177.4 | -63.9 | -39.2 | 0 | 0 | 0 | 113.3 | V123 K124 F125 R176 | V123-N127 PolarHBondContact O-N 3.15Å; V123-N127 PolarHBondContact O-ND2 3.21Å; V123-N127 VanDerWaalsContact O-ND2 3.12Å; K124-N127 PolarHBondContact O-N 3.24Å; F125-N127 PolarHBondContact O-N 2.89Å; N127-R176 PolarHBondContact OD1-NH1 2.86Å |
| 128 | I | 81.4 | Confident | 84.1 | Confident | 14 Ų | 14 | 45.5 Ų | 45.5 | 7% | 0.072 | 22% | 0.222 | C | C | . | . | trans | -86.9 | 127.1 | 176.2 | -60.3 | 171.3 | 0 | 0 | 0 | 108.5 | L84 M85 F125 A126 E130 K177 | L84-I128 HydrophobicContact CD1-CD1 3.85Å; L84-I128 HydrophobicContact CD2-CD1 3.79Å; L84-I128 HydrophobicContact CG-CD1 3.44Å; L84-I128 VanDerWaalsContact CG-CD1 3.44Å; M85-I128 HydrophobicContact SD-CD1 4.24Å; M85-I128 HydrophobicContact SD-CG1 4.31Å; F125-I128 WeakPolarHBondContact O-CB 3.12Å; F125-I128 PolarHBondContact O-N 2.9Å; F125-I128 VanDerWaalsContact O-N 3.09Å; A126-I128 VanDerWaalsContact C-N 3.31Å; I128-E130 HydrophobicContact CG2-CB 4.19Å; I128-E130 HydrophobicContact CG2-CG 4.23Å; I128-E130 PolarHBondContact O-N 2.78Å; I128-K177 PolarHBondContact O-NZ 3.06Å | ||
| 129 | E | 71.3 | Confident | 83.6 | Confident | 175 Ų | 175 | 45.7 Ų | 45.7 | 82% | 0.818 | 22% | 0.223 | S | C | * | . | trans | -76.6 | -19.7 | -173.2 | -64.8 | -177.3 | 172.6 | 0 | 0 | 114 | ||||
| 130 | E | 74.1 | Confident | 83.3 | Confident | 58 Ų | 58 | 49.9 Ų | 49.9 | 27% | 0.271 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -63.7 | 139.1 | -176.9 | -59.7 | -179.3 | 143.1 | 0 | 0 | 113 | H88 I92 I128 K177 | H88-E130 VanDerWaalsContact CA-OE1 3.3Å; H88-E130 WeakPolarHBondContact CA-OE1 3.31Å; H88-E130 VanDerWaalsContact CB-OE1 3.3Å; H88-E130 WeakPolarHBondContact CB-OE1 3.23Å; H88-E130 IonicContact ND1-OE2 3Å; I92-E130 VanDerWaalsContact CD1-OE2 3.24Å; I92-E130 WeakPolarHBondContact CD1-OE2 3.32Å; I128-E130 HydrophobicContact CG2-CB 4.19Å; I128-E130 HydrophobicContact CG2-CG 4.23Å; I128-E130 PolarHBondContact O-N 2.78Å; E130-K177 PolarHBondContact O-NZ 3.47Å |
| 131 | D | 70 | Confident | 83.2 | Confident | 82 Ų | 82 | 48.8 Ų | 48.8 | 44% | 0.439 | 24% | 0.237 | S | C | . | . | trans | -65.7 | 137.7 | 173.3 | 176.2 | 26.8 | 0 | 0 | 0 | 111.1 | N93 H136 | N93-D131 PolarHBondContact OD1-O 2.82Å; D131-H136 IonicContact OD1-NE2 3.52Å | ||
| 132 | T | 76.8 | Confident | 83.2 | Confident | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.018 | 24% | 0.237 | C | C | . | . | trans | -136.9 | 86.6 | -175.1 | 53.9 | 0 | 0 | 0 | 0 | 111.5 | V96 F125 S134 Y135 K177 | V96-T132 HydrophobicContact CB-CG2 4.42Å; V96-T132 HydrophobicContact CG1-CG2 4.08Å; V96-T132 HydrophobicContact CG2-CG2 3.97Å; F125-T132 HydrophobicContact CE2-CG2 4.06Å; F125-T132 HydrophobicContact CZ-CG2 4.34Å; F125-T132 WeakPolarHBondContact CZ-OG1 3.34Å; T132-S134 PolarHBondContact O-N 2.88Å; T132-Y135 VanDerWaalsContact O-CB 3.23Å; T132-Y135 WeakPolarHBondContact O-CB 3.45Å; T132-Y135 PolarHBondContact O-N 3.33Å; T132-K177 WeakPolarHBondContact OG1-CE 3.45Å | ||
| 133 | P | 76.3 | Confident | 83.1 | Confident | 56 Ų | 56 | 48.8 Ų | 48.8 | 36% | 0.364 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.6 | -24.4 | -177.3 | -28.3 | 35.9 | 0 | 0 | 0 | 115.2 | N93 Y135 H136 | N93-P133 WeakPolarHBondContact OD1-CD 3.18Å; P133-Y135 PolarHBondContact O-N 2.69Å; P133-H136 WeakPolarHBondContact O-CB 3.49Å; P133-H136 PolarHBondContact O-N 3.2Å |
| 134 | S | 77 | Confident | 83.2 | Confident | 12 Ų | 12 | 49.3 Ų | 49.3 | 8% | 0.084 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.8 | -27.1 | 174.8 | -59.3 | 0 | 0 | 0 | 0 | 113 | N93 T132 | N93-S134 PolarHBondContact O-OG 2.95Å; N93-S134 VanDerWaalsContact O-OG 3.11Å; T132-S134 PolarHBondContact O-N 2.88Å |
| 135 | Y | 80.9 | Confident | 83.5 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.6 | -40.8 | 174.7 | 175.8 | -120 | 0 | 0 | 0 | 111.6 | L100 F122 F125 T132 P133 R137 S138 Y139 F142 V174 K177 T178 | L100-Y135 HydrophobicContact CD1-CD2 4.33Å; F122-Y135 HydrophobicContact CE2-CD2 4.34Å; F122-Y135 AromaticContact CE2-CE2 3.75Å; F122-Y135 HydrophobicContact CE2-CE2 3.75Å; F122-Y135 AromaticContact CZ-CE2 3.72Å; F122-Y135 HydrophobicContact CZ-CE2 3.72Å; F125-Y135 HydrophobicContact CE1-CD2 4.02Å; F125-Y135 HydrophobicContact CE1-CG 4.26Å; F125-Y135 HydrophobicContact CZ-CG 4.44Å; T132-Y135 VanDerWaalsContact O-CB 3.23Å; T132-Y135 WeakPolarHBondContact O-CB 3.45Å; T132-Y135 PolarHBondContact O-N 3.33Å; P133-Y135 PolarHBondContact O-N 2.69Å; Y135-R137 VanDerWaalsContact C-N 3.26Å; Y135-R137 PolarHBondContact O-N 2.83Å; Y135-S138 CarbonylContact O-C 3.52Å; Y135-S138 WeakPolarHBondContact O-CA 3.48Å; Y135-S138 PolarHBondContact O-N 3.06Å; Y135-Y139 AromaticContact CE1-CD2 3.89Å; Y135-Y139 HydrophobicContact CE1-CD2 3.89Å; Y135-Y139 AromaticContact CZ-CD2 3.73Å; Y135-Y139 PolarHBondContact O-N 3.11Å; Y135-F142 HydrophobicContact CD2-CD2 4.14Å; Y135-F142 HydrophobicContact CD2-CE2 4.26Å; Y135-F142 AromaticContact CE2-CD2 3.83Å; Y135-F142 HydrophobicContact CE2-CD2 3.83Å; Y135-F142 HydrophobicContact CE2-CE2 4.36Å; Y135-V174 WeakPolarHBondContact OH-CA 3.47Å; Y135-K177 HydrophobicContact CD1-CG 3.91Å; Y135-K177 HydrophobicContact CE1-CB 4.03Å; Y135-K177 HydrophobicContact CE1-CG 3.76Å; Y135-T178 HydrophobicContact CE1-CG2 4.11Å |
| 136 | H | 77.8 | Confident | 83.9 | Confident | 55 Ų | 55 | 46.7 Ų | 46.7 | 26% | 0.255 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -56.5 | -38.6 | -176.8 | -56.1 | -20.3 | 0 | 0 | 0 | 112.4 | D131 P133 S138 Y139 D181 L183 | D131-H136 IonicContact OD1-NE2 3.52Å; P133-H136 WeakPolarHBondContact O-CB 3.49Å; P133-H136 PolarHBondContact O-N 3.2Å; H136-S138 VanDerWaalsContact C-N 3.25Å; H136-S138 PolarHBondContact O-N 3.42Å; H136-Y139 WeakPolarHBondContact O-CB 3.36Å; H136-D181 IonicContact CE1-OD2 3.94Å; H136-D181 PolarHBondContact CE1-OD2 2.95Å; H136-D181 IonicContact NE2-OD2 2.69Å; H136-D181 PolarHBondContact NE2-OD2 3.42Å; H136-L183 HydrophobicContact CB-CD1 3.91Å; H136-L183 WeakPolarHBondContact CE1-CD1 3.4Å; H136-L183 WeakPolarHBondContact ND1-CD1 3.27Å |
| 137 | R | 81.7 | Confident | 84.3 | Confident | 200 Ų | 200 | 46.8 Ų | 46.8 | 76% | 0.755 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -17.6 | 177.2 | -56.9 | -174.8 | -162.5 | 155.8 | 5.8 | 114.3 | Y135 | Y135-R137 VanDerWaalsContact C-N 3.26Å; Y135-R137 PolarHBondContact O-N 2.83Å |
| 138 | S | 83.3 | Confident | 84.8 | Confident | 13 Ų | 13 | 48 Ų | 48 | 9% | 0.091 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | -1.5 | -175.9 | -56.3 | 0 | 0 | 0 | 0 | 112.6 | R104 Y135 H136 D140 F141 F142 | R104-S138 VanDerWaalsContact NH2-CB 3.32Å; R104-S138 PolarHBondContact NH2-OG 3.38Å; Y135-S138 CarbonylContact O-C 3.52Å; Y135-S138 WeakPolarHBondContact O-CA 3.48Å; Y135-S138 PolarHBondContact O-N 3.06Å; H136-S138 VanDerWaalsContact C-N 3.25Å; H136-S138 PolarHBondContact O-N 3.42Å; S138-D140 PolarHBondContact O-N 2.88Å; S138-F141 WeakPolarHBondContact O-CB 3.39Å; S138-F141 PolarHBondContact O-N 3.34Å; S138-F142 WeakPolarHBondContact O-CD2 3.27Å; S138-F142 PolarHBondContact O-N 3.47Å |
| 139 | Y | 85.6 | Confident | 85.5 | Confident | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.016 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.6 | -52.2 | -172.1 | 176.5 | -102.2 | 0 | 0 | 0 | 112.3 | Y135 H136 F141 F142 V143 V174 T178 I187 H192 | Y135-Y139 AromaticContact CE1-CD2 3.89Å; Y135-Y139 HydrophobicContact CE1-CD2 3.89Å; Y135-Y139 AromaticContact CZ-CD2 3.73Å; Y135-Y139 PolarHBondContact O-N 3.11Å; H136-Y139 WeakPolarHBondContact O-CB 3.36Å; Y139-F141 PolarHBondContact O-N 2.95Å; Y139-F142 PolarHBondContact O-N 3.29Å; Y139-V143 HydrophobicContact CD1-CG2 4.29Å; Y139-V143 HydrophobicContact CD2-CG2 4.38Å; Y139-V143 HydrophobicContact CE1-CG2 3.79Å; Y139-V143 HydrophobicContact CE2-CG2 3.87Å; Y139-V143 PolarHBondContact O-N 3.18Å; Y139-V174 HydrophobicContact CD2-CG1 4.36Å; Y139-V174 HydrophobicContact CE2-CG1 3.51Å; Y139-T178 HydrophobicContact CD2-CG2 3.82Å; Y139-T178 HydrophobicContact CE2-CG2 3.22Å; Y139-I187 WeakPolarHBondContact OH-CA 3.37Å; Y139-I187 WeakPolarHBondContact OH-CB 3.47Å; Y139-I187 WeakPolarHBondContact OH-CG1 3.45Å; Y139-H192 AromaticContact CD1-CE1 3.92Å; Y139-H192 AromaticContact CD1-NE2 3.8Å; Y139-H192 AromaticContact CE1-CD2 3.69Å; Y139-H192 AromaticContact CE1-CE1 3.43Å; Y139-H192 VanDerWaalsContact CE1-CE1 3.43Å; Y139-H192 WeakPolarHBondContact CE1-CE1 3.49Å; Y139-H192 AromaticContact CE1-CG 3.74Å; Y139-H192 AromaticContact CE1-ND1 3.58Å; Y139-H192 AromaticContact CE1-NE2 3.5Å |
| 140 | D | 88.4 | Confident | 86.6 | Confident | 87 Ų | 87 | 39.1 Ų | 39.1 | 47% | 0.465 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -58 | -36.2 | -179.3 | -58.2 | -3.1 | 0 | 0 | 0 | 112.7 | S138 S144 H192 | S138-D140 PolarHBondContact O-N 2.88Å; D140-S144 VanDerWaalsContact O-CB 3.27Å; D140-S144 WeakPolarHBondContact O-CB 3.11Å; D140-S144 PolarHBondContact O-N 3.09Å; D140-S144 PolarHBondContact O-OG 3.12Å; D140-H192 IonicContact OD1-CE1 3Å; D140-H192 IonicContact OD1-NE2 3.46Å; D140-H192 PolarHBondContact OD1-NE2 3.18Å |
| 141 | F | 92.1 | Very high | 87.6 | Confident | 49 Ų | 49 | 39.7 Ų | 39.7 | 22% | 0.215 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.1 | -49.1 | 175.6 | 168.3 | -87.7 | 0 | 0 | 0 | 110.4 | R104 L107 E108 S138 Y139 S144 R145 | R104-F141 HydrophobicContact CB-CE1 3.98Å; R104-F141 HydrophobicContact CB-CZ 4.33Å; R104-F141 HydrophobicContact CG-CD1 4.05Å; R104-F141 HydrophobicContact CG-CD2 4.43Å; R104-F141 HydrophobicContact CG-CE1 3.57Å; R104-F141 HydrophobicContact CG-CE2 3.95Å; R104-F141 HydrophobicContact CG-CG 4.48Å; R104-F141 HydrophobicContact CG-CZ 3.53Å; L107-F141 HydrophobicContact CB-CZ 4.48Å; L107-F141 HydrophobicContact CD1-CE1 4.38Å; E108-F141 HydrophobicContact CG-CE2 3.97Å; E108-F141 HydrophobicContact CG-CZ 3.91Å; S138-F141 WeakPolarHBondContact O-CB 3.39Å; S138-F141 PolarHBondContact O-N 3.34Å; Y139-F141 PolarHBondContact O-N 2.95Å; F141-S144 PolarHBondContact O-N 3.25Å; F141-R145 HydrophobicContact CE1-CB 4.21Å; F141-R145 HydrophobicContact CE2-CB 4.47Å; F141-R145 HydrophobicContact CZ-CB 4.06Å; F141-R145 HydrophobicContact CZ-CG 4.11Å; F141-R145 VanDerWaalsContact O-CB 3.28Å; F141-R145 WeakPolarHBondContact O-CB 3.32Å; F141-R145 PolarHBondContact O-N 3.38Å |
| 142 | F | 92.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.1 | -44.6 | -178.4 | -70.9 | -61.8 | 0 | 0 | 0 | 111.9 | L100 V103 L107 F122 Y135 S138 Y139 S144 R145 F146 V174 | L100-F142 HydrophobicContact CB-CE2 4.39Å; L100-F142 HydrophobicContact CB-CZ 4.17Å; L100-F142 HydrophobicContact CD2-CE2 3.82Å; L100-F142 HydrophobicContact CD2-CZ 3.74Å; L100-F142 HydrophobicContact CG-CE2 4.48Å; L100-F142 HydrophobicContact CG-CZ 4.49Å; V103-F142 HydrophobicContact CB-CE1 4.49Å; V103-F142 HydrophobicContact CG1-CE1 3.82Å; V103-F142 HydrophobicContact CG1-CZ 4.41Å; L107-F142 HydrophobicContact CD1-CD1 3.88Å; L107-F142 HydrophobicContact CD1-CE1 3.9Å; F122-F142 HydrophobicContact CD2-CD1 4.2Å; F122-F142 HydrophobicContact CD2-CE1 4.07Å; F122-F142 HydrophobicContact CD2-CZ 4.32Å; F122-F142 HydrophobicContact CE2-CD1 4.06Å; F122-F142 HydrophobicContact CE2-CD2 4.04Å; F122-F142 HydrophobicContact CE2-CE1 4.21Å; F122-F142 HydrophobicContact CE2-CE2 4.18Å; F122-F142 AromaticContact CE2-CG 3.99Å; F122-F142 HydrophobicContact CE2-CG 3.99Å; F122-F142 HydrophobicContact CE2-CZ 4.27Å; F122-F142 HydrophobicContact CZ-CG 4.44Å; Y135-F142 HydrophobicContact CD2-CD2 4.14Å; Y135-F142 HydrophobicContact CD2-CE2 4.26Å; Y135-F142 AromaticContact CE2-CD2 3.83Å; Y135-F142 HydrophobicContact CE2-CD2 3.83Å; Y135-F142 HydrophobicContact CE2-CE2 4.36Å; S138-F142 WeakPolarHBondContact O-CD2 3.27Å; S138-F142 PolarHBondContact O-N 3.47Å; Y139-F142 PolarHBondContact O-N 3.29Å; F142-S144 VanDerWaalsContact C-N 3.33Å; F142-S144 PolarHBondContact O-N 2.9Å; F142-R145 PolarHBondContact O-N 3.45Å; F142-F146 HydrophobicContact CB-CD2 4.1Å; F142-F146 HydrophobicContact CB-CE2 3.94Å; F142-F146 AromaticContact CD1-CE2 3.89Å; F142-F146 HydrophobicContact CD1-CE2 3.89Å; F142-F146 HydrophobicContact CD1-CZ 4.18Å; F142-F146 HydrophobicContact CG-CE2 4.28Å; F142-F146 WeakPolarHBondContact O-CB 3.49Å; F142-F146 WeakPolarHBondContact O-CD2 3.45Å; F142-F146 WeakPolarHBondContact O-CG 3.32Å; F142-F146 PolarHBondContact O-N 2.94Å; F142-V174 HydrophobicContact CB-CG2 4.29Å |
| 143 | V | 93 | Very high | 89.2 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -55.9 | -50.6 | 174.5 | 173.1 | 0 | 0 | 0 | 0 | 110.3 | Y139 S147 V174 H192 K195 I196 | Y139-V143 HydrophobicContact CD1-CG2 4.29Å; Y139-V143 HydrophobicContact CD2-CG2 4.38Å; Y139-V143 HydrophobicContact CE1-CG2 3.79Å; Y139-V143 HydrophobicContact CE2-CG2 3.87Å; Y139-V143 PolarHBondContact O-N 3.18Å; V143-S147 WeakPolarHBondContact O-CB 2.93Å; V143-S147 PolarHBondContact O-N 3.37Å; V143-S147 PolarHBondContact O-OG 2.77Å; V143-V174 HydrophobicContact CG2-CG1 3.89Å; V143-H192 HydrophobicContact CG1-CB 4.46Å; V143-K195 HydrophobicContact CG1-CB 4.29Å; V143-K195 HydrophobicContact CG1-CD 4.27Å; V143-I196 HydrophobicContact CG1-CD1 4.15Å; V143-I196 HydrophobicContact CG1-CG1 3.87Å; V143-I196 HydrophobicContact CG2-CD1 4.45Å |
| 144 | S | 94.4 | Very high | 89.9 | Confident | 44 Ų | 44 | 44.9 Ų | 44.9 | 31% | 0.308 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.2 | -44.2 | -177.2 | -56.3 | 0 | 0 | 0 | 0 | 111.6 | D140 F141 F142 S147 E148 K195 | D140-S144 VanDerWaalsContact O-CB 3.27Å; D140-S144 WeakPolarHBondContact O-CB 3.11Å; D140-S144 PolarHBondContact O-N 3.09Å; D140-S144 PolarHBondContact O-OG 3.12Å; F141-S144 PolarHBondContact O-N 3.25Å; F142-S144 VanDerWaalsContact C-N 3.33Å; F142-S144 PolarHBondContact O-N 2.9Å; S144-S147 PolarHBondContact O-N 2.89Å; S144-E148 PolarHBondContact O-N 3.14Å; S144-K195 PolarHBondContact OG-NZ 3.47Å |
| 145 | R | 95.6 | Very high | 90.5 | Very high | 33 Ų | 33 | 53.2 Ų | 53.2 | 13% | 0.125 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -72.3 | -41.8 | -175.9 | -172.3 | 53.7 | -179.6 | 178 | 1.6 | 112.9 | L107 F141 F142 S147 E148 M149 | L107-R145 HydrophobicContact CB-CG 3.91Å; L107-R145 PolarHBondContact O-NE 3.45Å; L107-R145 PolarHBondContact O-NH2 3.4Å; F141-R145 HydrophobicContact CE1-CB 4.21Å; F141-R145 HydrophobicContact CE2-CB 4.47Å; F141-R145 HydrophobicContact CZ-CB 4.06Å; F141-R145 HydrophobicContact CZ-CG 4.11Å; F141-R145 VanDerWaalsContact O-CB 3.28Å; F141-R145 WeakPolarHBondContact O-CB 3.32Å; F141-R145 PolarHBondContact O-N 3.38Å; F142-R145 PolarHBondContact O-N 3.45Å; R145-S147 VanDerWaalsContact C-N 3.34Å; R145-E148 IonicContact CZ-OE1 3.31Å; R145-E148 IonicContact CZ-OE2 2.59Å; R145-E148 IonicContact NH1-OE1 2.98Å; R145-E148 PolarHBondContact NH1-OE1 3Å; R145-E148 IonicContact NH1-OE2 2.75Å; R145-E148 PolarHBondContact NH1-OE2 3.22Å; R145-E148 WeakPolarHBondContact O-CB 3.24Å; R145-E148 PolarHBondContact O-N 2.95Å; R145-M149 WeakPolarHBondContact O-CG 3.37Å; R145-M149 PolarHBondContact O-N 2.95Å |
| 146 | F | 96.9 | Very high | 91 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.5 | -34.6 | 175.7 | -67.6 | -47.3 | 0 | 0 | 0 | 112.3 | L107 T119 F122 F142 M149 C150 L171 V174 | L107-F146 HydrophobicContact CD1-CD1 4.44Å; L107-F146 HydrophobicContact CD1-CE1 3.6Å; L107-F146 HydrophobicContact CD1-CZ 3.65Å; L107-F146 HydrophobicContact CD2-CE1 3.79Å; L107-F146 HydrophobicContact CG-CE1 4.37Å; T119-F146 HydrophobicContact CG2-CE1 4.36Å; T119-F146 WeakPolarHBondContact OG1-CE1 3.33Å; F122-F146 HydrophobicContact CB-CZ 4.08Å; F122-F146 AromaticContact CD1-CE2 3.57Å; F122-F146 HydrophobicContact CD1-CE2 3.57Å; F122-F146 AromaticContact CD1-CZ 3.63Å; F122-F146 HydrophobicContact CD1-CZ 3.63Å; F122-F146 HydrophobicContact CD2-CE2 4.37Å; F122-F146 HydrophobicContact CD2-CZ 4.35Å; F122-F146 AromaticContact CE1-CE2 3.6Å; F122-F146 HydrophobicContact CE1-CE2 3.6Å; F122-F146 HydrophobicContact CE1-CZ 4.16Å; F122-F146 HydrophobicContact CE2-CE2 4.39Å; F122-F146 AromaticContact CG-CE2 3.98Å; F122-F146 HydrophobicContact CG-CE2 3.98Å; F122-F146 AromaticContact CG-CZ 3.75Å; F122-F146 HydrophobicContact CG-CZ 3.75Å; F122-F146 HydrophobicContact CZ-CE2 4.03Å; F142-F146 HydrophobicContact CB-CD2 4.1Å; F142-F146 HydrophobicContact CB-CE2 3.94Å; F142-F146 AromaticContact CD1-CE2 3.89Å; F142-F146 HydrophobicContact CD1-CE2 3.89Å; F142-F146 HydrophobicContact CD1-CZ 4.18Å; F142-F146 HydrophobicContact CG-CE2 4.28Å; F142-F146 WeakPolarHBondContact O-CB 3.49Å; F142-F146 WeakPolarHBondContact O-CD2 3.45Å; F142-F146 WeakPolarHBondContact O-CG 3.32Å; F142-F146 PolarHBondContact O-N 2.94Å; F146-M149 HydrophobicContact CD1-SD 3.96Å; F146-M149 HydrophobicContact CE1-SD 4.46Å; F146-M149 PolarHBondContact O-N 3.32Å; F146-C150 PolarHBondContact O-N 2.97Å; F146-C150 VanDerWaalsContact O-N 3.07Å; F146-C150 PolarHBondContact O-SG 2.97Å; F146-L171 HydrophobicContact CB-CD2 3.74Å; F146-L171 HydrophobicContact CB-CG 3.87Å; F146-V174 HydrophobicContact CD2-CG2 3.86Å; F146-V174 HydrophobicContact CE2-CG2 4.1Å |
| 147 | S | 96.4 | Very high | 91.5 | Very high | 8 Ų | 8 | 56.7 Ų | 56.7 | 6% | 0.056 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 171.2 | -60.4 | 0 | 0 | 0 | 0 | 111.3 | V143 S144 R145 M149 C150 H151 S199 | V143-S147 WeakPolarHBondContact O-CB 2.93Å; V143-S147 PolarHBondContact O-N 3.37Å; V143-S147 PolarHBondContact O-OG 2.77Å; S144-S147 PolarHBondContact O-N 2.89Å; R145-S147 VanDerWaalsContact C-N 3.34Å; S147-M149 VanDerWaalsContact C-N 3.34Å; S147-M149 PolarHBondContact O-N 3.24Å; S147-C150 VanDerWaalsContact O-CB 3.27Å; S147-C150 WeakPolarHBondContact O-CB 3.47Å; S147-C150 PolarHBondContact O-N 3.35Å; S147-C150 VanDerWaalsContact O-N 3.12Å; S147-H151 PolarHBondContact O-CD2 3.22Å; S147-H151 VanDerWaalsContact O-CD2 3.31Å; S147-H151 PolarHBondContact O-N 3.41Å; S147-S199 WeakPolarHBondContact CA-OG 3.5Å; S147-S199 VanDerWaalsContact CB-OG 3.25Å; S147-S199 WeakPolarHBondContact CB-OG 3.47Å |
| 148 | E | 95.4 | Very high | 91.8 | Very high | 113 Ų | 113 | 52.5 Ų | 52.5 | 53% | 0.528 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.5 | -43.2 | 175.3 | -170 | -169.3 | 158 | 0 | 0 | 112.2 | S144 R145 C150 H151 S152 | S144-E148 PolarHBondContact O-N 3.14Å; R145-E148 IonicContact CZ-OE1 3.31Å; R145-E148 IonicContact CZ-OE2 2.59Å; R145-E148 IonicContact NH1-OE1 2.98Å; R145-E148 PolarHBondContact NH1-OE1 3Å; R145-E148 IonicContact NH1-OE2 2.75Å; R145-E148 PolarHBondContact NH1-OE2 3.22Å; R145-E148 WeakPolarHBondContact O-CB 3.24Å; R145-E148 PolarHBondContact O-N 2.95Å; E148-C150 VanDerWaalsContact C-N 3.27Å; E148-C150 PolarHBondContact O-N 2.66Å; E148-H151 CarbonylContact O-C 3.46Å; E148-H151 PolarHBondContact O-N 3.29Å; E148-S152 PolarHBondContact O-N 3.31Å |
| 149 | M | 95.4 | Very high | 92.1 | Very high | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.02 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.9 | -34.7 | 175.7 | -69.9 | 173.3 | 63.6 | 0 | 0 | 112.6 | L107 Q115 R145 F146 S147 H151 S152 I163 A166 | L107-M149 HydrophobicContact CD2-SD 3.94Å; Q115-M149 HydrophobicContact CB-CE 3.81Å; Q115-M149 HydrophobicContact CB-SD 4.42Å; R145-M149 WeakPolarHBondContact O-CG 3.37Å; R145-M149 PolarHBondContact O-N 2.95Å; F146-M149 HydrophobicContact CD1-SD 3.96Å; F146-M149 HydrophobicContact CE1-SD 4.46Å; F146-M149 PolarHBondContact O-N 3.32Å; S147-M149 VanDerWaalsContact C-N 3.34Å; S147-M149 PolarHBondContact O-N 3.24Å; M149-H151 PolarHBondContact O-N 2.98Å; M149-S152 VanDerWaalsContact O-CB 3.31Å; M149-S152 WeakPolarHBondContact O-CB 3.48Å; M149-S152 PolarHBondContact O-N 2.86Å; M149-S152 VanDerWaalsContact O-N 3.16Å; M149-I163 HydrophobicContact CB-CG2 4.13Å; M149-I163 HydrophobicContact CE-CG2 4.35Å; M149-I163 HydrophobicContact CG-CG2 4.36Å; M149-A166 HydrophobicContact CE-CB 3.74Å |
| 150 | C | 95.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.5 | -24.5 | 174 | -67.4 | 0 | 0 | 0 | 0 | 112.8 | F146 S147 E148 R164 I168 N203 | F146-C150 PolarHBondContact O-N 2.97Å; F146-C150 VanDerWaalsContact O-N 3.07Å; F146-C150 PolarHBondContact O-SG 2.97Å; S147-C150 VanDerWaalsContact O-CB 3.27Å; S147-C150 WeakPolarHBondContact O-CB 3.47Å; S147-C150 PolarHBondContact O-N 3.35Å; S147-C150 VanDerWaalsContact O-N 3.12Å; E148-C150 VanDerWaalsContact C-N 3.27Å; E148-C150 PolarHBondContact O-N 2.66Å; C150-R164 WeakPolarHBondContact O-CG 3.46Å; C150-I168 PolarHBondContact SG-N 3.3Å; C150-N203 WeakPolarHBondContact CB-ND2 3.41Å; C150-N203 PolarHBondContact O-ND2 3.49Å |
| 151 | H | 93.9 | Very high | 92.5 | Very high | 70 Ų | 70 | 55.4 Ų | 55.4 | 32% | 0.324 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 13.9 | 177.7 | -69.5 | -75.7 | 0 | 0 | 0 | 113.7 | S147 E148 M149 N153 S199 F202 | S147-H151 PolarHBondContact O-CD2 3.22Å; S147-H151 VanDerWaalsContact O-CD2 3.31Å; S147-H151 PolarHBondContact O-N 3.41Å; E148-H151 CarbonylContact O-C 3.46Å; E148-H151 PolarHBondContact O-N 3.29Å; M149-H151 PolarHBondContact O-N 2.98Å; H151-N153 PolarHBondContact O-N 2.97Å; H151-S199 WeakPolarHBondContact NE2-CA 3.25Å; H151-S199 PolarHBondContact NE2-OG 2.88Å; H151-F202 VanDerWaalsContact CE1-CB 3.47Å; H151-F202 WeakPolarHBondContact CE1-CB 3.41Å; H151-F202 AromaticContact CE1-CD1 3.79Å; H151-F202 AromaticContact CE1-CG 3.49Å; H151-F202 VanDerWaalsContact CE1-CG 3.49Å; H151-F202 WeakPolarHBondContact CE1-CG 3.4Å; H151-F202 AromaticContact ND1-CD1 3.37Å; H151-F202 WeakPolarHBondContact ND1-CD1 3.42Å; H151-F202 AromaticContact ND1-CD2 3.87Å; H151-F202 AromaticContact ND1-CE1 3.71Å; H151-F202 AromaticContact ND1-CG 3.45Å; H151-F202 WeakPolarHBondContact ND1-CG 3.33Å |
| 152 | S | 92.1 | Very high | 92.5 | Very high | 22 Ų | 22 | 58.9 Ų | 58.9 | 15% | 0.154 | 29% | 0.294 | C | S | . | . | trans | -54 | 132.2 | -178.4 | 177.5 | 0 | 0 | 0 | 0 | 112.3 | E148 M149 Y154 R160 R164 | E148-S152 PolarHBondContact O-N 3.31Å; M149-S152 VanDerWaalsContact O-CB 3.31Å; M149-S152 WeakPolarHBondContact O-CB 3.48Å; M149-S152 PolarHBondContact O-N 2.86Å; M149-S152 VanDerWaalsContact O-N 3.16Å; S152-Y154 PolarHBondContact OG-N 3.45Å; S152-R160 WeakPolarHBondContact O-CD 3.24Å; S152-R160 VanDerWaalsContact O-CG 3.31Å; S152-R160 WeakPolarHBondContact O-CG 3.47Å; S152-R164 VanDerWaalsContact O-CZ 3.3Å; S152-R164 PolarHBondContact O-NE 3.27Å; S152-R164 PolarHBondContact O-NH2 2.85Å | ||
| 153 | N | 89.1 | Confident | 92.5 | Very high | 134 Ų | 134 | 59 Ų | 59 | 72% | 0.717 | 30% | 0.295 | S | S | * | . | trans | -113.3 | 34.6 | 177.3 | -71.5 | -28.7 | 0 | 0 | 0 | 111.6 | H151 R164 | H151-N153 PolarHBondContact O-N 2.97Å; N153-R164 PolarHBondContact OD1-NH2 3.11Å | ||
| 154 | Y | 91.4 | Very high | 92.6 | Very high | 94 Ų | 94 | 60.5 Ų | 60.5 | 37% | 0.369 | 30% | 0.3 | S | S | . | . | trans | -55 | 141.2 | 177.3 | -157.3 | -92.8 | 0 | 0 | 0 | 111.7 | P112 S152 D156 I159 R160 I163 | P112-Y154 HydrophobicContact CG-CD2 4.12Å; P112-Y154 HydrophobicContact CG-CE1 4.44Å; P112-Y154 HydrophobicContact CG-CE2 3.56Å; S152-Y154 PolarHBondContact OG-N 3.45Å; Y154-D156 HydrophobicContact CD1-CB 4.02Å; Y154-D156 HydrophobicContact CE1-CB 4.09Å; Y154-D156 PolarHBondContact O-N 3.28Å; Y154-I159 HydrophobicContact CD1-CB 3.74Å; Y154-I159 HydrophobicContact CD1-CG2 3.51Å; Y154-I159 HydrophobicContact CE1-CB 3.89Å; Y154-I159 HydrophobicContact CE1-CD1 3.89Å; Y154-I159 HydrophobicContact CE1-CG1 4.49Å; Y154-I159 HydrophobicContact CE1-CG2 3.55Å; Y154-I159 HydrophobicContact CG-CG2 4.06Å; Y154-R160 WeakPolarHBondContact O-CD 3.45Å; Y154-R160 PolarHBondContact O-NH1 3.24Å; Y154-I163 HydrophobicContact CD2-CD1 3.94Å; Y154-I163 HydrophobicContact CG-CD1 3.97Å | ||
| 155 | E | 88.9 | Confident | 92.5 | Very high | 187 Ų | 187 | 60 Ų | 60 | 87% | 0.874 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -59.5 | -50.3 | -172 | -64 | -177.5 | 172.4 | 0 | 0 | 111.8 | R160 | E155-R160 PolarHBondContact O-NH1 3.32Š|
| 156 | D | 91 | Very high | 92.5 | Very high | 62 Ų | 62 | 58.6 Ų | 58.6 | 33% | 0.332 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -69.9 | 122.3 | 177.1 | 179.6 | -26.9 | 0 | 0 | 0 | 111 | Y154 D158 I159 R160 | Y154-D156 HydrophobicContact CD1-CB 4.02Å; Y154-D156 HydrophobicContact CE1-CB 4.09Å; Y154-D156 PolarHBondContact O-N 3.28Å; D156-D158 PolarHBondContact O-N 2.8Å; D156-D158 PolarHBondContact OD1-N 3.43Å; D156-I159 HydrophobicContact CB-CB 4.03Å; D156-I159 HydrophobicContact CB-CD1 3.97Å; D156-I159 HydrophobicContact CB-CG1 4.1Å; D156-I159 PolarHBondContact O-N 3.25Å; D156-I159 PolarHBondContact OD1-N 3.47Å; D156-I159 VanDerWaalsContact OD2-CD1 3.32Å; D156-I159 WeakPolarHBondContact OD2-CD1 3.38Å; D156-I159 WeakPolarHBondContact OD2-CG1 3.2Å; D156-R160 WeakPolarHBondContact O-CB 3.46Å; D156-R160 PolarHBondContact O-N 2.68Å |
| 157 | P | 87.9 | Confident | 92.5 | Very high | 67 Ų | 67 | 58.6 Ų | 58.6 | 44% | 0.435 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.7 | -34.6 | -179.4 | 27.3 | -35.2 | 0 | 0 | 0 | 115 | T161 | P157-T161 WeakPolarHBondContact O-CB 3.5Å; P157-T161 PolarHBondContact O-N 3.33Å; P157-T161 PolarHBondContact O-OG1 3.26Å |
| 158 | D | 89.4 | Confident | 92.5 | Very high | 111 Ų | 111 | 58.2 Ų | 58.2 | 59% | 0.594 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -74.5 | -42.5 | -179.1 | -71.8 | -31.9 | 0 | 0 | 0 | 110.1 | D156 T161 K162 | D156-D158 PolarHBondContact O-N 2.8Å; D156-D158 PolarHBondContact OD1-N 3.43Å; D158-T161 PolarHBondContact O-N 2.97Å; D158-K162 WeakPolarHBondContact O-CG 3.23Å; D158-K162 PolarHBondContact O-N 3.08Å |
| 159 | I | 89.9 | Confident | 92.5 | Very high | 45 Ų | 45 | 56 Ų | 56 | 23% | 0.231 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.5 | -43.1 | 176.1 | -62.7 | 176.3 | 0 | 0 | 0 | 110.3 | P112 Y154 D156 T161 K162 I163 | P112-I159 HydrophobicContact CB-CG2 3.55Å; P112-I159 HydrophobicContact CG-CG2 3.57Å; Y154-I159 HydrophobicContact CD1-CB 3.74Å; Y154-I159 HydrophobicContact CD1-CG2 3.51Å; Y154-I159 HydrophobicContact CE1-CB 3.89Å; Y154-I159 HydrophobicContact CE1-CD1 3.89Å; Y154-I159 HydrophobicContact CE1-CG1 4.49Å; Y154-I159 HydrophobicContact CE1-CG2 3.55Å; Y154-I159 HydrophobicContact CG-CG2 4.06Å; D156-I159 HydrophobicContact CB-CB 4.03Å; D156-I159 HydrophobicContact CB-CD1 3.97Å; D156-I159 HydrophobicContact CB-CG1 4.1Å; D156-I159 PolarHBondContact O-N 3.25Å; D156-I159 PolarHBondContact OD1-N 3.47Å; D156-I159 VanDerWaalsContact OD2-CD1 3.32Å; D156-I159 WeakPolarHBondContact OD2-CD1 3.38Å; D156-I159 WeakPolarHBondContact OD2-CG1 3.2Å; I159-T161 VanDerWaalsContact C-N 3.31Å; I159-T161 PolarHBondContact O-N 2.94Å; I159-K162 PolarHBondContact O-N 2.81Å; I159-K162 VanDerWaalsContact O-N 3.16Å; I159-I163 HydrophobicContact CG2-CD1 3.93Å; I159-I163 HydrophobicContact CG2-CG1 4.35Å; I159-I163 WeakPolarHBondContact O-CG1 3.49Å; I159-I163 PolarHBondContact O-N 3.19Å |
| 160 | R | 91.1 | Very high | 92.5 | Very high | 69 Ų | 69 | 55.8 Ų | 55.8 | 26% | 0.26 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -55.4 | -47.2 | 173.8 | -175.4 | 174 | 60.5 | -109.9 | 3.2 | 111.4 | S152 Y154 E155 D156 K162 I163 R164 | S152-R160 WeakPolarHBondContact O-CD 3.24Å; S152-R160 VanDerWaalsContact O-CG 3.31Å; S152-R160 WeakPolarHBondContact O-CG 3.47Å; Y154-R160 WeakPolarHBondContact O-CD 3.45Å; Y154-R160 PolarHBondContact O-NH1 3.24Å; E155-R160 PolarHBondContact O-NH1 3.32Å; D156-R160 WeakPolarHBondContact O-CB 3.46Å; D156-R160 PolarHBondContact O-N 2.68Å; R160-K162 PolarHBondContact O-N 3.01Å; R160-I163 PolarHBondContact O-N 3Å; R160-R164 WeakPolarHBondContact O-CG 3.26Å; R160-R164 PolarHBondContact O-N 2.75Å |
| 161 | T | 90.7 | Very high | 92.5 | Very high | 52 Ų | 52 | 55.8 Ų | 55.8 | 32% | 0.319 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.4 | -45 | 177 | -60 | 0 | 0 | 0 | 0 | 111.2 | P157 D158 I159 I163 R164 M165 P228 | P157-T161 WeakPolarHBondContact O-CB 3.5Å; P157-T161 PolarHBondContact O-N 3.33Å; P157-T161 PolarHBondContact O-OG1 3.26Å; D158-T161 PolarHBondContact O-N 2.97Å; I159-T161 VanDerWaalsContact C-N 3.31Å; I159-T161 PolarHBondContact O-N 2.94Å; T161-I163 PolarHBondContact O-N 2.84Å; T161-R164 PolarHBondContact O-N 3.5Å; T161-M165 HydrophobicContact CG2-CG 4.39Å; T161-M165 HydrophobicContact CG2-SD 4.2Å; T161-M165 WeakPolarHBondContact O-CB 3.39Å; T161-M165 VanDerWaalsContact O-CG 3.28Å; T161-M165 WeakPolarHBondContact O-CG 3.41Å; T161-M165 PolarHBondContact O-N 3.36Å; T161-P228 HydrophobicContact CG2-CG 3.66Å |
| 162 | K | 92.1 | Very high | 92.4 | Very high | 121 Ų | 121 | 53.5 Ų | 53.5 | 53% | 0.526 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 177 | -71.1 | 169.5 | -176.6 | 171.4 | 0 | 113 | I116 D158 I159 R160 A166 | I116-K162 HydrophobicContact CD1-CB 3.84Å; D158-K162 WeakPolarHBondContact O-CG 3.23Å; D158-K162 PolarHBondContact O-N 3.08Å; I159-K162 PolarHBondContact O-N 2.81Å; I159-K162 VanDerWaalsContact O-N 3.16Å; R160-K162 PolarHBondContact O-N 3.01Å; K162-A166 WeakPolarHBondContact O-CB 3.48Å; K162-A166 PolarHBondContact O-N 2.62Å |
| 163 | I | 93.3 | Very high | 92.4 | Very high | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.015 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.3 | -46 | 176.5 | -63.5 | 164 | 0 | 0 | 0 | 110.2 | P112 M149 Y154 I159 R160 T161 A166 G167 | P112-I163 HydrophobicContact CB-CD1 3.84Å; P112-I163 HydrophobicContact CB-CG1 3.9Å; P112-I163 HydrophobicContact CG-CD1 3.89Å; P112-I163 HydrophobicContact CG-CG1 4.5Å; M149-I163 HydrophobicContact CB-CG2 4.13Å; M149-I163 HydrophobicContact CE-CG2 4.35Å; M149-I163 HydrophobicContact CG-CG2 4.36Å; Y154-I163 HydrophobicContact CD2-CD1 3.94Å; Y154-I163 HydrophobicContact CG-CD1 3.97Å; I159-I163 HydrophobicContact CG2-CD1 3.93Å; I159-I163 HydrophobicContact CG2-CG1 4.35Å; I159-I163 WeakPolarHBondContact O-CG1 3.49Å; I159-I163 PolarHBondContact O-N 3.19Å; R160-I163 PolarHBondContact O-N 3Å; T161-I163 PolarHBondContact O-N 2.84Å; I163-A166 CarbonylContact O-C 3.33Å; I163-A166 WeakPolarHBondContact O-CB 3.34Å; I163-A166 PolarHBondContact O-N 3.2Å; I163-A166 VanDerWaalsContact O-N 3.17Å; I163-G167 PolarHBondContact O-N 2.73Å |
| 164 | R | 94.2 | Very high | 92.4 | Very high | 31 Ų | 31 | 46.2 Ų | 46.2 | 12% | 0.117 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.8 | -43.9 | 178.4 | -69.7 | -180 | -177.6 | -166 | -2.9 | 111.8 | C150 S152 N153 R160 T161 A166 G167 I168 N203 | C150-R164 WeakPolarHBondContact O-CG 3.46Å; S152-R164 VanDerWaalsContact O-CZ 3.3Å; S152-R164 PolarHBondContact O-NE 3.27Å; S152-R164 PolarHBondContact O-NH2 2.85Å; N153-R164 PolarHBondContact OD1-NH2 3.11Å; R160-R164 WeakPolarHBondContact O-CG 3.26Å; R160-R164 PolarHBondContact O-N 2.75Å; T161-R164 PolarHBondContact O-N 3.5Å; R164-A166 VanDerWaalsContact C-N 3.3Å; R164-A166 PolarHBondContact O-N 2.82Å; R164-G167 WeakPolarHBondContact O-CA 3.48Å; R164-G167 PolarHBondContact O-N 3.19Å; R164-G167 VanDerWaalsContact O-N 3.12Å; R164-I168 WeakPolarHBondContact O-CG1 3.19Å; R164-I168 PolarHBondContact O-N 3.36Å; R164-N203 WeakPolarHBondContact CD-OD1 3.33Å |
| 165 | M | 93.8 | Very high | 92.2 | Very high | 34 Ų | 34 | 41.8 Ų | 41.8 | 17% | 0.167 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.4 | -40.6 | 173 | -71.2 | -177 | 82.6 | 0 | 0 | 112 | T161 I168 K169 E226 P228 L231 | T161-M165 HydrophobicContact CG2-CG 4.39Å; T161-M165 HydrophobicContact CG2-SD 4.2Å; T161-M165 WeakPolarHBondContact O-CB 3.39Å; T161-M165 VanDerWaalsContact O-CG 3.28Å; T161-M165 WeakPolarHBondContact O-CG 3.41Å; T161-M165 PolarHBondContact O-N 3.36Å; M165-I168 PolarHBondContact O-N 2.98Å; M165-K169 WeakPolarHBondContact O-CG 3Å; M165-K169 PolarHBondContact O-N 2.87Å; M165-E226 HydrophobicContact CE-CB 4.37Å; M165-E226 HydrophobicContact CE-CG 4.42Å; M165-E226 WeakPolarHBondContact CE-O 3.35Å; M165-P228 HydrophobicContact CG-CB 4.36Å; M165-P228 HydrophobicContact CG-CG 3.99Å; M165-P228 HydrophobicContact SD-CG 4.49Å; M165-L231 HydrophobicContact CB-CD2 4.39Å; M165-L231 HydrophobicContact CE-CD2 4.48Å |
| 166 | A | 95.3 | Very high | 92.1 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 3% | 0.025 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.8 | -39.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I116 T119 M149 K162 I163 R164 I168 K169 G170 | I116-A166 HydrophobicContact CG1-CB 4.01Å; T119-A166 HydrophobicContact CG2-CB 4.01Å; T119-A166 WeakPolarHBondContact CG2-O 3.49Å; M149-A166 HydrophobicContact CE-CB 3.74Å; K162-A166 WeakPolarHBondContact O-CB 3.48Å; K162-A166 PolarHBondContact O-N 2.62Å; I163-A166 CarbonylContact O-C 3.33Å; I163-A166 WeakPolarHBondContact O-CB 3.34Å; I163-A166 PolarHBondContact O-N 3.2Å; I163-A166 VanDerWaalsContact O-N 3.17Å; R164-A166 VanDerWaalsContact C-N 3.3Å; R164-A166 PolarHBondContact O-N 2.82Å; A166-I168 PolarHBondContact O-N 2.89Å; A166-K169 PolarHBondContact O-N 2.87Å; A166-G170 PolarHBondContact O-N 2.85Å |
| 167 | G | 96.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.4 | -49.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I163 R164 G170 L171 | I163-G167 PolarHBondContact O-N 2.73Å; R164-G167 WeakPolarHBondContact O-CA 3.48Å; R164-G167 PolarHBondContact O-N 3.19Å; R164-G167 VanDerWaalsContact O-N 3.12Å; G167-G170 PolarHBondContact O-N 3.16Å; G167-L171 PolarHBondContact O-N 3.42Å |
| 168 | I | 96.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.4 | -44 | -179.3 | -58.6 | 155.5 | 0 | 0 | 0 | 111.2 | C150 R164 M165 A166 G170 L171 Q172 L200 N203 P228 L231 T232 C235 | C150-I168 PolarHBondContact SG-N 3.3Å; R164-I168 WeakPolarHBondContact O-CG1 3.19Å; R164-I168 PolarHBondContact O-N 3.36Å; M165-I168 PolarHBondContact O-N 2.98Å; A166-I168 PolarHBondContact O-N 2.89Å; I168-G170 VanDerWaalsContact C-N 3.28Å; I168-G170 PolarHBondContact O-N 2.93Å; I168-L171 PolarHBondContact O-N 3.38Å; I168-Q172 WeakPolarHBondContact O-CB 3.18Å; I168-Q172 PolarHBondContact O-N 3.49Å; I168-L200 HydrophobicContact CG2-CD2 4.11Å; I168-N203 HydrophobicContact CD1-CB 3.94Å; I168-P228 HydrophobicContact CD1-CB 4.31Å; I168-L231 HydrophobicContact CB-CD2 3.85Å; I168-L231 HydrophobicContact CB-CG 4.28Å; I168-L231 HydrophobicContact CD1-CD2 4.41Å; I168-L231 HydrophobicContact CG2-CB 4.48Å; I168-L231 HydrophobicContact CG2-CD2 3.83Å; I168-L231 HydrophobicContact CG2-CG 3.67Å; I168-T232 VanDerWaalsContact CD1-OG1 3.29Å; I168-T232 WeakPolarHBondContact CD1-OG1 3.49Å; I168-C235 HydrophobicContact CG2-CB 4.17Å |
| 169 | K | 95.7 | Very high | 89.4 | Confident | 66 Ų | 66 | 26.8 Ų | 26.8 | 29% | 0.287 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -61.3 | -38.8 | 175.2 | -71.6 | -179.6 | -177 | -176.6 | 0 | 111.7 | T119 V123 M165 A166 Q172 G173 E226 L231 | T119-K169 HydrophobicContact CG2-CB 4.1Å; V123-K169 HydrophobicContact CG2-CB 4.03Å; V123-K169 WeakPolarHBondContact CG2-O 3.47Å; M165-K169 WeakPolarHBondContact O-CG 3Å; M165-K169 PolarHBondContact O-N 2.87Å; A166-K169 PolarHBondContact O-N 2.87Å; K169-Q172 PolarHBondContact O-N 3.34Å; K169-G173 PolarHBondContact O-N 3.37Å; K169-E226 IonicContact NZ-OE2 2.82Å; K169-L231 HydrophobicContact CD-CD2 4.49Å; K169-L231 HydrophobicContact CG-CD1 4.26Å; K169-L231 HydrophobicContact CG-CD2 3.77Å |
| 170 | G | 94.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.7 | -50.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A166 G167 I168 Q172 G173 V174 | A166-G170 PolarHBondContact O-N 2.85Å; G167-G170 PolarHBondContact O-N 3.16Å; I168-G170 VanDerWaalsContact C-N 3.28Å; I168-G170 PolarHBondContact O-N 2.93Å; G170-Q172 VanDerWaalsContact C-N 3.33Å; G170-Q172 PolarHBondContact O-N 3.28Å; G170-G173 WeakPolarHBondContact O-CA 3.41Å; G170-G173 PolarHBondContact O-N 2.94Å; G170-G173 VanDerWaalsContact O-N 3.13Å; G170-V174 WeakPolarHBondContact O-CG2 3.49Å; G170-V174 PolarHBondContact O-N 3.44Å |
| 171 | L | 94.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.9 | -41.3 | 175.3 | -70.4 | -177.8 | 0 | 0 | 0 | 112.2 | F146 G167 I168 G173 V174 V175 I196 L200 | F146-L171 HydrophobicContact CB-CD2 3.74Å; F146-L171 HydrophobicContact CB-CG 3.87Å; G167-L171 PolarHBondContact O-N 3.42Å; I168-L171 PolarHBondContact O-N 3.38Å; L171-G173 VanDerWaalsContact C-N 3.31Å; L171-G173 PolarHBondContact O-N 3.36Å; L171-V174 WeakPolarHBondContact O-CB 3.47Å; L171-V174 PolarHBondContact O-N 3.21Å; L171-V174 VanDerWaalsContact O-N 3.14Å; L171-V175 WeakPolarHBondContact O-CG2 3.49Å; L171-V175 PolarHBondContact O-N 2.95Å; L171-I196 HydrophobicContact CD2-CG1 4.16Å; L171-L200 HydrophobicContact CD1-CD2 4.39Å |
| 172 | Q | 93 | Very high | 84.4 | Confident | 23 Ų | 23 | 35 Ų | 35 | 11% | 0.107 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.4 | -41.8 | 174.6 | -171.4 | 175.7 | 32.3 | 0 | 0 | 111.8 | I168 K169 G170 V174 V175 R176 C235 E238 | I168-Q172 WeakPolarHBondContact O-CB 3.18Å; I168-Q172 PolarHBondContact O-N 3.49Å; K169-Q172 PolarHBondContact O-N 3.34Å; G170-Q172 VanDerWaalsContact C-N 3.33Å; G170-Q172 PolarHBondContact O-N 3.28Å; Q172-V174 VanDerWaalsContact C-N 3.35Å; Q172-V175 PolarHBondContact O-N 2.88Å; Q172-R176 VanDerWaalsContact NE2-NH2 3.13Å; Q172-R176 WeakPolarHBondContact O-CG 3.18Å; Q172-R176 PolarHBondContact O-N 3.43Å; Q172-C235 HydrophobicContact CB-CB 4.27Å; Q172-C235 HydrophobicContact CG-CB 4.43Å; Q172-E238 WeakPolarHBondContact CG-OE2 3.13Å; Q172-E238 PolarHBondContact NE2-OE2 3.2Å |
| 173 | G | 90.8 | Very high | 82.6 | Confident | 3 Ų | 3 | 30.7 Ų | 30.7 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.4 | -41.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | A126 K169 G170 L171 R176 K177 | A126-G173 VanDerWaalsContact CB-O 3.3Å; A126-G173 WeakPolarHBondContact CB-O 3.5Å; K169-G173 PolarHBondContact O-N 3.37Å; G170-G173 WeakPolarHBondContact O-CA 3.41Å; G170-G173 PolarHBondContact O-N 2.94Å; G170-G173 VanDerWaalsContact O-N 3.13Å; L171-G173 VanDerWaalsContact C-N 3.31Å; L171-G173 PolarHBondContact O-N 3.36Å; G173-R176 PolarHBondContact O-N 3.32Å; G173-K177 PolarHBondContact O-N 3.05Å |
| 174 | V | 90 | Very high | 80.9 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.1 | -50.9 | 175 | 170.9 | 0 | 0 | 0 | 0 | 110.1 | F122 Y135 Y139 F142 V143 F146 G170 L171 Q172 R176 K177 T178 | F122-V174 HydrophobicContact CE1-CG2 3.83Å; F122-V174 HydrophobicContact CZ-CG2 3.84Å; Y135-V174 WeakPolarHBondContact OH-CA 3.47Å; Y139-V174 HydrophobicContact CD2-CG1 4.36Å; Y139-V174 HydrophobicContact CE2-CG1 3.51Å; F142-V174 HydrophobicContact CB-CG2 4.29Å; V143-V174 HydrophobicContact CG2-CG1 3.89Å; F146-V174 HydrophobicContact CD2-CG2 3.86Å; F146-V174 HydrophobicContact CE2-CG2 4.1Å; G170-V174 WeakPolarHBondContact O-CG2 3.49Å; G170-V174 PolarHBondContact O-N 3.44Å; L171-V174 WeakPolarHBondContact O-CB 3.47Å; L171-V174 PolarHBondContact O-N 3.21Å; L171-V174 VanDerWaalsContact O-N 3.14Å; Q172-V174 VanDerWaalsContact C-N 3.35Å; V174-R176 VanDerWaalsContact C-N 3.33Å; V174-R176 PolarHBondContact O-N 3.4Å; V174-K177 PolarHBondContact O-N 3.29Å; V174-T178 PolarHBondContact O-N 3.49Å; V174-T178 VanDerWaalsContact O-N 3.14Å; V174-T178 PolarHBondContact O-OG1 3.48Å |
| 175 | V | 88.2 | Confident | 79.2 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57 | -44.3 | 179.1 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | L171 Q172 T178 V179 I187 L239 | L171-V175 WeakPolarHBondContact O-CG2 3.49Å; L171-V175 PolarHBondContact O-N 2.95Å; Q172-V175 PolarHBondContact O-N 2.88Å; V175-T178 PolarHBondContact O-OG1 2.91Å; V175-V179 VanDerWaalsContact O-CG2 3.29Å; V175-V179 WeakPolarHBondContact O-CG2 3.35Å; V175-I187 HydrophobicContact CB-CD1 4.46Å; V175-I187 HydrophobicContact CG2-CD1 4.08Å; V175-L239 HydrophobicContact CG1-CB 4.12Å; V175-L239 HydrophobicContact CG1-CD1 4.08Å; V175-L239 HydrophobicContact CG2-CB 4.35Å; V175-L239 HydrophobicContact CG2-CD1 4.03Å |
| 176 | R | 86 | Confident | 78.1 | Confident | 74 Ų | 74 | 38.8 Ų | 38.8 | 28% | 0.279 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.8 | -44 | 178.2 | -75.6 | 178.6 | -175.1 | 172.1 | 7.8 | 112.7 | N127 Q172 G173 V174 E238 | N127-R176 PolarHBondContact OD1-NH1 2.86Å; Q172-R176 VanDerWaalsContact NE2-NH2 3.13Å; Q172-R176 WeakPolarHBondContact O-CG 3.18Å; Q172-R176 PolarHBondContact O-N 3.43Å; G173-R176 PolarHBondContact O-N 3.32Å; V174-R176 VanDerWaalsContact C-N 3.33Å; V174-R176 PolarHBondContact O-N 3.4Å; R176-E238 WeakPolarHBondContact CG-OE1 3.4Å; R176-E238 IonicContact CZ-OE1 3.97Å; R176-E238 IonicContact CZ-OE2 3.73Å; R176-E238 IonicContact NE-OE1 3.82Å; R176-E238 PolarHBondContact NE-OE1 3.05Å; R176-E238 IonicContact NE-OE2 3.54Å; R176-E238 PolarHBondContact NE-OE2 3.19Å; R176-E238 IonicContact NH2-OE1 2.85Å; R176-E238 IonicContact NH2-OE2 3.9Å; R176-E238 PolarHBondContact NH2-OE2 2.99Å |
| 177 | K | 81.1 | Confident | 77.6 | Confident | 17 Ų | 17 | 38.7 Ų | 38.7 | 7% | 0.074 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -73.6 | -33.2 | -173 | -166.1 | 57 | 171.2 | 168.8 | 0 | 113 | F125 A126 I128 E130 T132 Y135 G173 V174 | F125-K177 HydrophobicContact CE1-CG 4.22Å; A126-K177 HydrophobicContact CB-CB 4.46Å; I128-K177 PolarHBondContact O-NZ 3.06Å; E130-K177 PolarHBondContact O-NZ 3.47Å; T132-K177 WeakPolarHBondContact OG1-CE 3.45Å; Y135-K177 HydrophobicContact CD1-CG 3.91Å; Y135-K177 HydrophobicContact CE1-CB 4.03Å; Y135-K177 HydrophobicContact CE1-CG 3.76Å; G173-K177 PolarHBondContact O-N 3.05Å; V174-K177 PolarHBondContact O-N 3.29Å |
| 178 | T | 71.2 | Confident | 77.2 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.012 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -79.8 | -24.1 | -177.6 | 36.7 | 0 | 0 | 0 | 0 | 115.6 | Y135 Y139 V174 V175 I187 | Y135-T178 HydrophobicContact CE1-CG2 4.11Å; Y139-T178 HydrophobicContact CD2-CG2 3.82Å; Y139-T178 HydrophobicContact CE2-CG2 3.22Å; V174-T178 PolarHBondContact O-N 3.49Å; V174-T178 VanDerWaalsContact O-N 3.14Å; V174-T178 PolarHBondContact O-OG1 3.48Å; V175-T178 PolarHBondContact O-OG1 2.91Å; T178-I187 VanDerWaalsContact OG1-CD1 3.24Å; T178-I187 WeakPolarHBondContact OG1-CD1 3.28Å |
| 179 | V | 58.5 | Low | 76.8 | Confident | 18 Ų | 18 | 41.6 Ų | 41.6 | 11% | 0.109 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -88.2 | -11.9 | -170.1 | -177.4 | 0 | 0 | 0 | 0 | 112.8 | V175 Q184 R242 | V175-V179 VanDerWaalsContact O-CG2 3.29Å; V175-V179 WeakPolarHBondContact O-CG2 3.35Å; V179-Q184 VanDerWaalsContact O-CG 3.32Å; V179-Q184 WeakPolarHBondContact O-CG 3.46Å; V179-Q184 PolarHBondContact O-NE2 3.27Å; V179-R242 HydrophobicContact CG1-CB 4.02Å; V179-R242 HydrophobicContact CG1-CG 4.04Å |
| 180 | N | 58.3 | Low | 76.4 | Confident | 119 Ų | 119 | 41.8 Ų | 41.8 | 64% | 0.636 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 5.7 | 177.5 | -65.8 | -12 | 0 | 0 | 0 | 113.8 | ||
| 181 | D | 58.5 | Low | 76.2 | Confident | 29 Ų | 29 | 46.9 Ų | 46.9 | 16% | 0.155 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -135.8 | 165.5 | -164.8 | -168 | 10.8 | 0 | 0 | 0 | 112.9 | H136 L183 Q184 | H136-D181 IonicContact CE1-OD2 3.94Å; H136-D181 PolarHBondContact CE1-OD2 2.95Å; H136-D181 IonicContact NE2-OD2 2.69Å; H136-D181 PolarHBondContact NE2-OD2 3.42Å; D181-L183 PolarHBondContact O-N 3.28Å; D181-Q184 VanDerWaalsContact O-CG 3.3Å; D181-Q184 WeakPolarHBondContact O-CG 3.41Å; D181-Q184 PolarHBondContact O-N 2.76Å |
| 182 | E | 50.5 | Low | 76 | Confident | 192 Ų | 192 | 47 Ų | 47 | 90% | 0.897 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -56.2 | -14.4 | 178.8 | -67.1 | -176 | 168.9 | 0 | 0 | 113.4 | Q184 | E182-Q184 PolarHBondContact O-N 3.34Š|
| 183 | L | 53.8 | Low | 76 | Confident | 30 Ų | 30 | 46 Ų | 46 | 16% | 0.157 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -75.8 | 6.8 | 169.7 | -74.3 | -151.9 | 0 | 0 | 0 | 115.8 | H136 D181 A185 N186 | H136-L183 HydrophobicContact CB-CD1 3.91Å; H136-L183 WeakPolarHBondContact CE1-CD1 3.4Å; H136-L183 WeakPolarHBondContact ND1-CD1 3.27Å; D181-L183 PolarHBondContact O-N 3.28Å; L183-A185 PolarHBondContact O-N 2.85Å; L183-N186 WeakPolarHBondContact CD2-ND2 3.17Å; L183-N186 PolarHBondContact O-N 3.23Å |
| 184 | Q | 57 | Low | 76.1 | Confident | 108 Ų | 108 | 49.5 Ų | 49.5 | 51% | 0.505 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -46.5 | -29 | 177 | -90.2 | 177.6 | 10.3 | 0 | 0 | 114 | V179 D181 E182 | V179-Q184 VanDerWaalsContact O-CG 3.32Å; V179-Q184 WeakPolarHBondContact O-CG 3.46Å; V179-Q184 PolarHBondContact O-NE2 3.27Å; D181-Q184 VanDerWaalsContact O-CG 3.3Å; D181-Q184 WeakPolarHBondContact O-CG 3.41Å; D181-Q184 PolarHBondContact O-N 2.76Å; E182-Q184 PolarHBondContact O-N 3.34Å |
| 185 | A | 58.5 | Low | 76.4 | Confident | 63 Ų | 63 | 53.5 Ų | 53.5 | 52% | 0.521 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -75.9 | -37.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | L183 I187 W188 | L183-A185 PolarHBondContact O-N 2.85Å; A185-I187 PolarHBondContact O-N 3.18Å; A185-W188 PolarHBondContact O-N 3.27Å |
| 186 | N | 71.9 | Confident | 76.7 | Confident | 67 Ų | 67 | 53.5 Ų | 53.5 | 36% | 0.358 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -71.7 | -31.1 | -167.2 | -73.1 | 4 | 0 | 0 | 0 | 113.5 | L183 W188 D189 H192 | L183-N186 WeakPolarHBondContact CD2-ND2 3.17Å; L183-N186 PolarHBondContact O-N 3.23Å; N186-W188 PolarHBondContact O-N 3.19Å; N186-D189 WeakPolarHBondContact O-CB 3.47Å; N186-D189 PolarHBondContact O-N 3.33Å; N186-H192 PolarHBondContact O-ND1 2.71Å |
| 187 | I | 83.8 | Confident | 77.2 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -62.2 | -33.4 | 178.2 | -176.6 | 159.2 | 0 | 0 | 0 | 111.5 | Y139 V175 T178 A185 D189 M193 I196 L239 | Y139-I187 WeakPolarHBondContact OH-CA 3.37Å; Y139-I187 WeakPolarHBondContact OH-CB 3.47Å; Y139-I187 WeakPolarHBondContact OH-CG1 3.45Å; V175-I187 HydrophobicContact CB-CD1 4.46Å; V175-I187 HydrophobicContact CG2-CD1 4.08Å; T178-I187 VanDerWaalsContact OG1-CD1 3.24Å; T178-I187 WeakPolarHBondContact OG1-CD1 3.28Å; A185-I187 PolarHBondContact O-N 3.18Å; I187-D189 VanDerWaalsContact C-N 3.27Å; I187-D189 PolarHBondContact O-N 2.79Å; I187-M193 HydrophobicContact CD1-CE 4.39Å; I187-M193 HydrophobicContact CG1-CE 3.57Å; I187-M193 WeakPolarHBondContact O-CE 3.45Å; I187-I196 HydrophobicContact CG1-CD1 4.41Å; I187-L239 HydrophobicContact CD1-CD1 4.26Å |
| 188 | W | 87.6 | Confident | 77.9 | Confident | 8 Ų | 8 | 50.5 Ų | 50.5 | 3% | 0.03 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -83.3 | -0.3 | -178.8 | -56.6 | 107.5 | 0 | 0 | 0 | 113.6 | A185 N186 M193 L239 A243 N247 N250 A251 | A185-W188 PolarHBondContact O-N 3.27Å; N186-W188 PolarHBondContact O-N 3.19Å; W188-M193 HydrophobicContact CE3-CE 4.26Å; W188-M193 HydrophobicContact CE3-CG 4.34Å; W188-M193 HydrophobicContact CE3-SD 3.9Å; W188-M193 HydrophobicContact CZ3-SD 4.08Å; W188-L239 HydrophobicContact CH2-CD1 3.63Å; W188-L239 HydrophobicContact CH2-CG 4.04Å; W188-L239 WeakPolarHBondContact CH2-O 3.49Å; W188-L239 HydrophobicContact CZ2-CD1 4.24Å; W188-L239 HydrophobicContact CZ3-CD1 3.91Å; W188-L239 HydrophobicContact CZ3-CG 4.23Å; W188-A243 HydrophobicContact CH2-CB 3.65Å; W188-A243 HydrophobicContact CZ2-CB 4.01Å; W188-A243 HydrophobicContact CZ3-CB 4.24Å; W188-N247 HydrophobicContact CB-CB 4.09Å; W188-N247 VanDerWaalsContact CD1-CG 3.4Å; W188-N247 HydrophobicContact CD2-CB 3.65Å; W188-N247 HydrophobicContact CE3-CB 4.13Å; W188-N247 HydrophobicContact CG-CB 3.61Å; W188-N247 VanDerWaalsContact CG-CG 3.47Å; W188-N247 PolarHBondContact NE1-ND2 2.88Å; W188-N250 WeakPolarHBondContact O-CB 3.37Å; W188-N250 PolarHBondContact O-ND2 3.07Å; W188-A251 HydrophobicContact CE3-CB 4.24Å; W188-A251 HydrophobicContact CZ3-CB 3.7Å |
| 189 | D | 88.5 | Confident | 79.1 | Confident | 53 Ų | 53 | 50.6 Ų | 50.6 | 28% | 0.283 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -61.9 | 140 | 172.9 | -69.8 | -25.9 | 0 | 0 | 0 | 110.3 | N186 I187 Q191 H192 M193 | N186-D189 WeakPolarHBondContact O-CB 3.47Å; N186-D189 PolarHBondContact O-N 3.33Å; I187-D189 VanDerWaalsContact C-N 3.27Å; I187-D189 PolarHBondContact O-N 2.79Å; D189-Q191 HydrophobicContact CB-CG 3.78Å; D189-Q191 PolarHBondContact O-N 2.76Å; D189-Q191 VanDerWaalsContact O-N 3.1Å; D189-Q191 PolarHBondContact OD2-NE2 3.46Å; D189-H192 PolarHBondContact O-N 2.88Å; D189-M193 PolarHBondContact O-N 3.18Å; D189-M193 VanDerWaalsContact O-N 3.1Å |
| 190 | P | 88.5 | Confident | 80.9 | Confident | 70 Ų | 70 | 49.8 Ų | 49.8 | 46% | 0.455 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -50.7 | -39 | 178.4 | -29.4 | 35.6 | 0 | 0 | 0 | 113.4 | H192 M193 D194 | P190-H192 PolarHBondContact O-N 3.39Å; P190-M193 PolarHBondContact O-N 3.27Å; P190-D194 WeakPolarHBondContact O-CB 3.24Å; P190-D194 PolarHBondContact O-N 2.73Å |
| 191 | Q | 89.3 | Confident | 82.7 | Confident | 107 Ų | 107 | 44.1 Ų | 44.1 | 50% | 0.5 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -54.5 | -27.7 | 178.4 | 63 | 176 | -13.6 | 0 | 0 | 114.8 | D189 | D189-Q191 HydrophobicContact CB-CG 3.78Å; D189-Q191 PolarHBondContact O-N 2.76Å; D189-Q191 VanDerWaalsContact O-N 3.1Å; D189-Q191 PolarHBondContact OD2-NE2 3.46Å |
| 192 | H | 91.2 | Very high | 84.4 | Confident | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.019 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -98.7 | -47.4 | 179.1 | -57.5 | 127 | 0 | 0 | 0 | 111.2 | Y139 D140 V143 N186 D189 P190 D194 K195 I196 | Y139-H192 AromaticContact CD1-CE1 3.92Å; Y139-H192 AromaticContact CD1-NE2 3.8Å; Y139-H192 AromaticContact CE1-CD2 3.69Å; Y139-H192 AromaticContact CE1-CE1 3.43Å; Y139-H192 VanDerWaalsContact CE1-CE1 3.43Å; Y139-H192 WeakPolarHBondContact CE1-CE1 3.49Å; Y139-H192 AromaticContact CE1-CG 3.74Å; Y139-H192 AromaticContact CE1-ND1 3.58Å; Y139-H192 AromaticContact CE1-NE2 3.5Å; D140-H192 IonicContact OD1-CE1 3Å; D140-H192 IonicContact OD1-NE2 3.46Å; D140-H192 PolarHBondContact OD1-NE2 3.18Å; V143-H192 HydrophobicContact CG1-CB 4.46Å; N186-H192 PolarHBondContact O-ND1 2.71Å; D189-H192 PolarHBondContact O-N 2.88Å; P190-H192 PolarHBondContact O-N 3.39Å; H192-D194 VanDerWaalsContact C-N 3.26Å; H192-D194 PolarHBondContact O-N 2.78Å; H192-K195 PolarHBondContact O-N 3.09Å; H192-I196 HydrophobicContact CB-CD1 4.41Å; H192-I196 WeakPolarHBondContact O-CG1 3.5Å; H192-I196 PolarHBondContact O-N 3.12Å |
| 193 | M | 92.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61 | -35.2 | -179.8 | -76.5 | -62.5 | 115.1 | 0 | 0 | 112.6 | I187 W188 D189 P190 K195 I196 V197 P198 L239 P254 | I187-M193 HydrophobicContact CD1-CE 4.39Å; I187-M193 HydrophobicContact CG1-CE 3.57Å; I187-M193 WeakPolarHBondContact O-CE 3.45Å; W188-M193 HydrophobicContact CE3-CE 4.26Å; W188-M193 HydrophobicContact CE3-CG 4.34Å; W188-M193 HydrophobicContact CE3-SD 3.9Å; W188-M193 HydrophobicContact CZ3-SD 4.08Å; D189-M193 PolarHBondContact O-N 3.18Å; D189-M193 VanDerWaalsContact O-N 3.1Å; P190-M193 PolarHBondContact O-N 3.27Å; M193-K195 PolarHBondContact O-N 3.36Å; M193-K195 VanDerWaalsContact O-N 3.17Å; M193-I196 HydrophobicContact CE-CD1 3.88Å; M193-I196 PolarHBondContact O-N 3.32Å; M193-V197 WeakPolarHBondContact O-CB 3.31Å; M193-V197 PolarHBondContact O-N 3.25Å; M193-V197 HydrophobicContact SD-CG2 4.05Å; M193-P198 WeakPolarHBondContact O-CD 3.37Å; M193-L239 HydrophobicContact CE-CD1 4.07Å; M193-L239 HydrophobicContact CE-CD2 4.27Å; M193-L239 HydrophobicContact SD-CD2 4.24Å; M193-P254 HydrophobicContact CB-CG 3.98Å |
| 194 | D | 93.6 | Very high | 88.2 | Confident | 77 Ų | 77 | 34.6 Ų | 34.6 | 41% | 0.412 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -68.6 | -9.9 | 176.1 | -66.1 | -21.3 | 0 | 0 | 0 | 113.3 | P190 H192 P198 P254 | P190-D194 WeakPolarHBondContact O-CB 3.24Å; P190-D194 PolarHBondContact O-N 2.73Å; H192-D194 VanDerWaalsContact C-N 3.26Å; H192-D194 PolarHBondContact O-N 2.78Å; D194-P198 WeakPolarHBondContact O-CD 3.38Å; D194-P198 WeakPolarHBondContact O-CG 3.44Å; D194-P254 WeakPolarHBondContact OD1-CG 3.33Å |
| 195 | K | 94.8 | Very high | 89.6 | Confident | 85 Ų | 85 | 31 Ų | 31 | 37% | 0.37 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -103.5 | -48 | 171.9 | -62.7 | 175.4 | -177.5 | 170.7 | 0 | 111.5 | V143 S144 H192 M193 S199 | V143-K195 HydrophobicContact CG1-CB 4.29Å; V143-K195 HydrophobicContact CG1-CD 4.27Å; S144-K195 PolarHBondContact OG-NZ 3.47Å; H192-K195 PolarHBondContact O-N 3.09Å; M193-K195 PolarHBondContact O-N 3.36Å; M193-K195 VanDerWaalsContact O-N 3.17Å; K195-S199 VanDerWaalsContact O-CB 3.25Å; K195-S199 WeakPolarHBondContact O-CB 3.31Å; K195-S199 PolarHBondContact O-N 3.02Å; K195-S199 PolarHBondContact O-OG 3.24Å |
| 196 | I | 95.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.5 | -54.2 | -174 | -63.9 | 173.8 | 0 | 0 | 0 | 110.6 | V143 L171 I187 H192 M193 S199 L200 L239 | V143-I196 HydrophobicContact CG1-CD1 4.15Å; V143-I196 HydrophobicContact CG1-CG1 3.87Å; V143-I196 HydrophobicContact CG2-CD1 4.45Å; L171-I196 HydrophobicContact CD2-CG1 4.16Å; I187-I196 HydrophobicContact CG1-CD1 4.41Å; H192-I196 HydrophobicContact CB-CD1 4.41Å; H192-I196 WeakPolarHBondContact O-CG1 3.5Å; H192-I196 PolarHBondContact O-N 3.12Å; M193-I196 HydrophobicContact CE-CD1 3.88Å; M193-I196 PolarHBondContact O-N 3.32Å; I196-S199 PolarHBondContact O-N 3.01Å; I196-L200 HydrophobicContact CG2-CD1 4.08Å; I196-L200 WeakPolarHBondContact O-CG 3.48Å; I196-L200 PolarHBondContact O-N 2.92Å; I196-L239 HydrophobicContact CG2-CD2 4.16Å |
| 197 | V | 96.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.4 | -50.1 | -173.6 | 170 | 0 | 0 | 0 | 0 | 111.4 | M193 S199 L200 L201 F236 L239 P254 V255 | M193-V197 WeakPolarHBondContact O-CB 3.31Å; M193-V197 PolarHBondContact O-N 3.25Å; M193-V197 HydrophobicContact SD-CG2 4.05Å; V197-S199 VanDerWaalsContact C-N 3.28Å; V197-S199 PolarHBondContact O-N 3.42Å; V197-L200 PolarHBondContact O-N 3.47Å; V197-L201 HydrophobicContact CG1-CD1 3.85Å; V197-L201 HydrophobicContact CG1-CG 4.2Å; V197-L201 WeakPolarHBondContact O-CG 3.33Å; V197-L201 PolarHBondContact O-N 3.45Å; V197-F236 HydrophobicContact CG1-CE2 4.47Å; V197-F236 HydrophobicContact CG2-CE2 4.35Å; V197-L239 HydrophobicContact CG2-CD2 4.42Å; V197-P254 HydrophobicContact CB-CB 3.91Å; V197-P254 HydrophobicContact CB-CG 4.47Å; V197-P254 HydrophobicContact CG1-CB 3.96Å; V197-V255 HydrophobicContact CG1-CB 4.46Å; V197-V255 HydrophobicContact CG1-CG2 3.51Å |
| 198 | P | 96 | Very high | 88.3 | Confident | 28 Ų | 28 | 30.3 Ų | 30.3 | 18% | 0.182 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.2 | -35.3 | 176.7 | -28.3 | 39.5 | 0 | 0 | 0 | 113.9 | M193 D194 L201 F202 | M193-P198 WeakPolarHBondContact O-CD 3.37Å; D194-P198 WeakPolarHBondContact O-CD 3.38Å; D194-P198 WeakPolarHBondContact O-CG 3.44Å; P198-L201 PolarHBondContact O-N 2.87Å; P198-F202 WeakPolarHBondContact O-CB 3.24Å; P198-F202 PolarHBondContact O-N 3.09Å |
| 199 | S | 96.2 | Very high | 86.6 | Confident | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.1 | -40.7 | 176.8 | -63.6 | 0 | 0 | 0 | 0 | 112.5 | S147 H151 K195 I196 V197 N203 | S147-S199 WeakPolarHBondContact CA-OG 3.5Å; S147-S199 VanDerWaalsContact CB-OG 3.25Å; S147-S199 WeakPolarHBondContact CB-OG 3.47Å; H151-S199 WeakPolarHBondContact NE2-CA 3.25Å; H151-S199 PolarHBondContact NE2-OG 2.88Å; K195-S199 VanDerWaalsContact O-CB 3.25Å; K195-S199 WeakPolarHBondContact O-CB 3.31Å; K195-S199 PolarHBondContact O-N 3.02Å; K195-S199 PolarHBondContact O-OG 3.24Å; I196-S199 PolarHBondContact O-N 3.01Å; V197-S199 VanDerWaalsContact C-N 3.28Å; V197-S199 PolarHBondContact O-N 3.42Å; S199-N203 PolarHBondContact O-ND2 2.77Å |
| 200 | L | 96.4 | Very high | 84.7 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66 | -53.2 | 173.2 | -66.4 | 176.9 | 0 | 0 | 0 | 109.9 | I168 L171 I196 V197 F202 N203 L204 T232 C235 F236 | I168-L200 HydrophobicContact CG2-CD2 4.11Å; L171-L200 HydrophobicContact CD1-CD2 4.39Å; I196-L200 HydrophobicContact CG2-CD1 4.08Å; I196-L200 WeakPolarHBondContact O-CG 3.48Å; I196-L200 PolarHBondContact O-N 2.92Å; V197-L200 PolarHBondContact O-N 3.47Å; L200-F202 VanDerWaalsContact C-N 3.27Å; L200-F202 PolarHBondContact O-N 3.27Å; L200-N203 PolarHBondContact O-N 2.99Å; L200-L204 PolarHBondContact O-N 3.43Å; L200-T232 HydrophobicContact CB-CG2 3.82Å; L200-T232 HydrophobicContact CD2-CG2 4.12Å; L200-T232 WeakPolarHBondContact O-CG2 3.48Å; L200-C235 HydrophobicContact CD2-CB 4.18Å; L200-F236 HydrophobicContact CD1-CB 4.25Å; L200-F236 HydrophobicContact CD1-CD2 4.2Å |
| 201 | L | 95.3 | Very high | 82.6 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.5 | -38 | -177.5 | -65.7 | 179.7 | 0 | 0 | 0 | 113.3 | V197 P198 N203 L204 Q205 F236 V255 H258 F270 | V197-L201 HydrophobicContact CG1-CD1 3.85Å; V197-L201 HydrophobicContact CG1-CG 4.2Å; V197-L201 WeakPolarHBondContact O-CG 3.33Å; V197-L201 PolarHBondContact O-N 3.45Å; P198-L201 PolarHBondContact O-N 2.87Å; L201-N203 VanDerWaalsContact C-N 3.31Å; L201-N203 PolarHBondContact O-N 2.95Å; L201-L204 HydrophobicContact CD2-CD2 4.38Å; L201-L204 WeakPolarHBondContact O-CB 3.39Å; L201-L204 PolarHBondContact O-N 3.4Å; L201-Q205 PolarHBondContact O-N 3.43Å; L201-F236 HydrophobicContact CD2-CE1 4.17Å; L201-V255 HydrophobicContact CD1-CB 4.28Å; L201-V255 HydrophobicContact CD1-CG1 4.04Å; L201-V255 HydrophobicContact CD1-CG2 4.3Å; L201-H258 HydrophobicContact CD1-CB 3.75Å; L201-F270 HydrophobicContact CB-CZ 4.43Å; L201-F270 HydrophobicContact CD2-CZ 4.46Å |
| 202 | F | 94.4 | Very high | 80.2 | Confident | 49 Ų | 49 | 45.1 Ų | 45.1 | 22% | 0.215 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.7 | -40.2 | 175.3 | 176.9 | -101.2 | 0 | 0 | 0 | 113.2 | H151 P198 L200 S206 | H151-F202 VanDerWaalsContact CE1-CB 3.47Å; H151-F202 WeakPolarHBondContact CE1-CB 3.41Å; H151-F202 AromaticContact CE1-CD1 3.79Å; H151-F202 AromaticContact CE1-CG 3.49Å; H151-F202 VanDerWaalsContact CE1-CG 3.49Å; H151-F202 WeakPolarHBondContact CE1-CG 3.4Å; H151-F202 AromaticContact ND1-CD1 3.37Å; H151-F202 WeakPolarHBondContact ND1-CD1 3.42Å; H151-F202 AromaticContact ND1-CD2 3.87Å; H151-F202 AromaticContact ND1-CE1 3.71Å; H151-F202 AromaticContact ND1-CG 3.45Å; H151-F202 WeakPolarHBondContact ND1-CG 3.33Å; P198-F202 WeakPolarHBondContact O-CB 3.24Å; P198-F202 PolarHBondContact O-N 3.09Å; L200-F202 VanDerWaalsContact C-N 3.27Å; L200-F202 PolarHBondContact O-N 3.27Å; F202-S206 PolarHBondContact O-N 2.84Å; F202-S206 PolarHBondContact O-OG 3.33Å |
| 203 | N | 93.4 | Very high | 77.9 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.011 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -78.6 | -30.4 | 178 | -76 | -79.1 | 0 | 0 | 0 | 112.4 | C150 R164 I168 S199 L200 L201 S206 T232 | C150-N203 WeakPolarHBondContact CB-ND2 3.41Å; C150-N203 PolarHBondContact O-ND2 3.49Å; R164-N203 WeakPolarHBondContact CD-OD1 3.33Å; I168-N203 HydrophobicContact CD1-CB 3.94Å; S199-N203 PolarHBondContact O-ND2 2.77Å; L200-N203 PolarHBondContact O-N 2.99Å; L201-N203 VanDerWaalsContact C-N 3.31Å; L201-N203 PolarHBondContact O-N 2.95Å; N203-S206 PolarHBondContact O-N 3.3Å; N203-T232 WeakPolarHBondContact CB-OG1 3.25Å |
| 204 | L | 91.3 | Very high | 75 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 171.9 | -166.7 | 64.9 | 0 | 0 | 0 | 111.3 | L200 L201 S206 G207 T232 E233 F270 I277 | L200-L204 PolarHBondContact O-N 3.43Å; L201-L204 HydrophobicContact CD2-CD2 4.38Å; L201-L204 WeakPolarHBondContact O-CB 3.39Å; L201-L204 PolarHBondContact O-N 3.4Å; L204-S206 VanDerWaalsContact C-N 3.34Å; L204-S206 PolarHBondContact O-N 2.76Å; L204-G207 PolarHBondContact O-N 3.09Å; L204-T232 HydrophobicContact CB-CG2 3.92Å; L204-T232 HydrophobicContact CD1-CG2 4.41Å; L204-E233 HydrophobicContact CD1-CB 4.23Å; L204-F270 HydrophobicContact CB-CE2 4.12Å; L204-F270 HydrophobicContact CB-CZ 4.36Å; L204-F270 HydrophobicContact CD2-CE2 4.08Å; L204-F270 HydrophobicContact CD2-CZ 4.37Å; L204-F270 HydrophobicContact CG-CE2 4.01Å; L204-I277 HydrophobicContact CD1-CD1 4.43Å; L204-I277 HydrophobicContact CD2-CD1 3.78Å |
| 205 | Q | 86.6 | Confident | 72.4 | Confident | 32 Ų | 32 | 62.6 Ų | 62.6 | 15% | 0.15 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.7 | -35 | 180 | -168 | -172.4 | 9.6 | 0 | 0 | 112.7 | L201 G207 E208 F270 | L201-Q205 PolarHBondContact O-N 3.43Å; Q205-G207 PolarHBondContact O-N 3.13Å; Q205-E208 PolarHBondContact O-N 3.22Å; Q205-F270 HydrophobicContact CB-CD2 4.32Å; Q205-F270 HydrophobicContact CB-CE2 3.71Å; Q205-F270 HydrophobicContact CB-CZ 3.82Å; Q205-F270 HydrophobicContact CG-CD2 4.38Å; Q205-F270 HydrophobicContact CG-CE2 4.25Å; Q205-F270 HydrophobicContact CG-CZ 4.45Å |
| 206 | S | 71.5 | Confident | 69.6 | Low | 39 Ų | 39 | 63.3 Ų | 63.3 | 27% | 0.273 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64 | -23.9 | -177.4 | -64.8 | 0 | 0 | 0 | 0 | 113.2 | F202 N203 L204 T210 | F202-S206 PolarHBondContact O-N 2.84Å; F202-S206 PolarHBondContact O-OG 3.33Å; N203-S206 PolarHBondContact O-N 3.3Å; L204-S206 VanDerWaalsContact C-N 3.34Å; L204-S206 PolarHBondContact O-N 2.76Å; S206-T210 PolarHBondContact O-OG1 3.44Å |
| 207 | G | 60.5 | Low | 67 | Low | 21 Ų | 21 | 69.3 Ų | 69.3 | 22% | 0.216 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.4 | -41.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L204 Q205 R209 T210 E211 | L204-G207 PolarHBondContact O-N 3.09Å; Q205-G207 PolarHBondContact O-N 3.13Å; G207-R209 VanDerWaalsContact C-N 3.35Å; G207-R209 PolarHBondContact O-N 3.04Å; G207-T210 PolarHBondContact O-N 3.34Å; G207-T210 VanDerWaalsContact O-N 3.13Å; G207-E211 PolarHBondContact O-N 3.31Å |
| 208 | E | 54.7 | Low | 64.3 | Low | 57 Ų | 57 | 77.3 Ų | 77.3 | 27% | 0.266 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -69.3 | -29.8 | -174.5 | -69.3 | 179.4 | 179.6 | 0 | 0 | 113.4 | Q205 T210 R273 | Q205-E208 PolarHBondContact O-N 3.22Å; E208-T210 PolarHBondContact O-N 3.01Å; E208-R273 VanDerWaalsContact OE1-CD 3.31Å; E208-R273 WeakPolarHBondContact OE1-CD 3.49Å; E208-R273 IonicContact OE1-NH1 3.18Å; E208-R273 PolarHBondContact OE1-NH1 3.15Å |
| 209 | R | 52.2 | Low | 61.7 | Low | 187 Ų | 187 | 84.9 Ų | 84.9 | 71% | 0.706 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -68.4 | -17.9 | 175.8 | -69.8 | -174.8 | 179.7 | -180 | 1.6 | 113 | G207 S212 | G207-R209 VanDerWaalsContact C-N 3.35Å; G207-R209 PolarHBondContact O-N 3.04Å; R209-S212 PolarHBondContact O-OG 2.97Å |
| 210 | T | 47.4 | Very low | 59 | Low | 105 Ų | 105 | 89.6 Ų | 89.6 | 64% | 0.644 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -96.6 | -32.5 | -174.8 | -41.6 | 0 | 0 | 0 | 0 | 111.6 | S206 G207 E208 S212 | S206-T210 PolarHBondContact O-OG1 3.44Å; G207-T210 PolarHBondContact O-N 3.34Å; G207-T210 VanDerWaalsContact O-N 3.13Å; E208-T210 PolarHBondContact O-N 3.01Å; T210-S212 VanDerWaalsContact C-N 3.34Å; T210-S212 PolarHBondContact O-N 3.18Å |
| 211 | E | 45.2 | Very low | 56.4 | Low | 159 Ų | 159 | 94.9 Ų | 94.9 | 74% | 0.743 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -74.9 | -16.7 | 178 | -69.3 | -178.5 | 171.2 | 0 | 0 | 114.5 | G207 R213 | G207-E211 PolarHBondContact O-N 3.31Å; E211-R213 PolarHBondContact O-N 3.07Å |
| 212 | S | 40 | Very low | 53.8 | Low | 97 Ų | 97 | 102.3 Ų | 102.3 | 68% | 0.678 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -3.4 | 177.4 | 48.6 | 0 | 0 | 0 | 0 | 114.3 | R209 T210 | R209-S212 PolarHBondContact O-OG 2.97Å; T210-S212 VanDerWaalsContact C-N 3.34Å; T210-S212 PolarHBondContact O-N 3.18Å |
| 213 | R | 42.3 | Very low | 51.3 | Low | 217 Ų | 217 | 109 Ų | 109 | 82% | 0.819 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -97 | 114.4 | 164.8 | -82.7 | 179.4 | 171.1 | 174.4 | -2.4 | 108.6 | E211 | E211-R213 PolarHBondContact O-N 3.07Š|
| 214 | S | 31.8 | Very low | 49.1 | Very low | 110 Ų | 110 | 118.5 Ų | 118.5 | 77% | 0.769 | 64% | 0.641 | S | S | * | * | trans | -42.5 | 126.4 | 176.9 | 27 | 0 | 0 | 0 | 0 | 112.7 | S216 | S214-S216 PolarHBondContact O-N 3.3Š| ||
| 215 | P | 38.9 | Very low | 47.7 | Very low | 122 Ų | 122 | 126.2 Ų | 126.2 | 79% | 0.792 | 67% | 0.674 | S | S | * | * | trans | -71.6 | 124 | 175.5 | 26.9 | -29.5 | 0 | 0 | 0 | 109 | ||||
| 216 | S | 35.4 | Very low | 47 | Very low | 99 Ų | 99 | 127.9 Ų | 127.9 | 69% | 0.692 | 68% | 0.682 | S | S | * | * | trans | -68.5 | 140.6 | 170.4 | -66.7 | 0 | 0 | 0 | 0 | 109.6 | S214 L218 | S214-S216 PolarHBondContact O-N 3.3Å; S216-L218 PolarHBondContact O-N 2.92Å | ||
| 217 | P | 40.3 | Very low | 47.7 | Very low | 128 Ų | 128 | 127.8 Ų | 127.8 | 83% | 0.831 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 11.5 | -164.2 | -15.9 | 30.8 | 0 | 0 | 0 | 116.5 | ||
| 218 | L | 39.7 | Very low | 49 | Very low | 168 Ų | 168 | 128.4 Ų | 128.4 | 88% | 0.88 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.9 | 12.6 | -165.4 | -74.1 | 165.3 | 0 | 0 | 0 | 115.3 | S216 | S216-L218 PolarHBondContact O-N 2.92Š|
| 219 | Q | 43.2 | Very low | 50.7 | Low | 186 Ų | 186 | 126 Ų | 126 | 87% | 0.869 | 67% | 0.672 | S | S | * | * | trans | -123.3 | 30.9 | 177.9 | -69.7 | -176.3 | -2.1 | 0 | 0 | 113.9 | S221 | Q219-S221 VanDerWaalsContact C-N 3.26Å; Q219-S221 PolarHBondContact O-N 3.3Å; Q219-S221 VanDerWaalsContact O-N 3.09Å | ||
| 220 | A | 38.3 | Very low | 52.6 | Low | 103 Ų | 103 | 122.3 Ų | 122.3 | 85% | 0.851 | 66% | 0.662 | S | S | * | * | trans | -84.2 | 64.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 221 | S | 41.7 | Very low | 54.7 | Low | 111 Ų | 111 | 117.4 Ų | 117.4 | 78% | 0.776 | 63% | 0.632 | S | S | * | * | trans | -173.5 | 66.3 | 159.4 | 176.9 | 0 | 0 | 0 | 0 | 111.2 | Q219 | Q219-S221 VanDerWaalsContact C-N 3.26Å; Q219-S221 PolarHBondContact O-N 3.3Å; Q219-S221 VanDerWaalsContact O-N 3.09Å | ||
| 222 | E | 40.8 | Very low | 57.1 | Low | 156 Ų | 156 | 109.9 Ų | 109.9 | 73% | 0.729 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -135.6 | 130.6 | 152.6 | -74.3 | -161.5 | 176 | 0 | 0 | 108.6 | K225 | E222-K225 IonicContact OE2-NZ 3.74Å; E222-K225 PolarHBondContact OE2-NZ 2.97Å |
| 223 | K | 43.2 | Very low | 59.7 | Low | 189 Ų | 189 | 107.2 Ų | 107.2 | 82% | 0.822 | 57% | 0.574 | S | S | * | * | trans | -30.8 | 134.8 | 178.1 | -66.6 | 170.1 | 175.5 | 176.9 | 0 | 112.9 | K225 | K223-K225 VanDerWaalsContact C-N 3.31Å; K223-K225 PolarHBondContact O-N 3.18Å | ||
| 224 | E | 47.2 | Very low | 62.1 | Low | 202 Ų | 202 | 102.1 Ų | 102.1 | 94% | 0.944 | 56% | 0.555 | S | S | * | * | trans | -36.9 | 88 | 169.1 | -68.1 | 174.3 | 161.1 | 0 | 0 | 111.9 | E226 | E224-E226 PolarHBondContact O-N 3.03Š| ||
| 225 | K | 60.6 | Low | 65.1 | Low | 162 Ų | 162 | 96.9 Ų | 96.9 | 70% | 0.704 | 52% | 0.518 | S | S | * | . | trans | -83.7 | 102.5 | 172.1 | -81.6 | 171.9 | -175.8 | 157 | 0 | 105.4 | E222 K223 S227 | E222-K225 IonicContact OE2-NZ 3.74Å; E222-K225 PolarHBondContact OE2-NZ 2.97Å; K223-K225 VanDerWaalsContact C-N 3.31Å; K223-K225 PolarHBondContact O-N 3.18Å; K225-S227 PolarHBondContact O-N 3.19Å | ||
| 226 | E | 72.9 | Confident | 67.8 | Low | 68 Ų | 68 | 91.1 Ų | 91.1 | 32% | 0.318 | 48% | 0.48 | S | S | . | . | trans | -39.5 | 119.2 | 172.5 | -179 | 178.5 | -108.9 | 0 | 0 | 111.1 | M165 K169 E224 L231 R234 | M165-E226 HydrophobicContact CE-CB 4.37Å; M165-E226 HydrophobicContact CE-CG 4.42Å; M165-E226 WeakPolarHBondContact CE-O 3.35Å; K169-E226 IonicContact NZ-OE2 2.82Å; E224-E226 PolarHBondContact O-N 3.03Å; E226-L231 HydrophobicContact CG-CB 4.43Å; E226-R234 IonicContact OE1-CZ 3.78Å; E226-R234 IonicContact OE1-NH1 2.96Å; E226-R234 PolarHBondContact OE1-NH1 3.46Å; E226-R234 IonicContact OE1-NH2 3.94Å; E226-R234 PolarHBondContact OE1-NH2 3.2Å; E226-R234 IonicContact OE2-NH2 3.19Å | ||
| 227 | S | 85.6 | Confident | 70.6 | Confident | 37 Ų | 37 | 90.3 Ų | 90.3 | 26% | 0.259 | 46% | 0.462 | S | S | . | . | trans | -79.5 | 153 | -176.1 | 76.4 | 0 | 0 | 0 | 0 | 111.4 | K225 A229 E230 L231 | K225-S227 PolarHBondContact O-N 3.19Å; S227-A229 PolarHBondContact O-N 2.58Å; S227-E230 PolarHBondContact N-OE2 3.39Å; S227-E230 PolarHBondContact O-N 3.36Å; S227-E230 WeakPolarHBondContact OG-CB 3.41Å; S227-E230 VanDerWaalsContact OG-CD 3.27Å; S227-E230 WeakPolarHBondContact OG-CG 3.41Å; S227-E230 PolarHBondContact OG-N 3.46Å; S227-E230 VanDerWaalsContact OG-N 3.16Å; S227-E230 PolarHBondContact OG-OE2 3.44Å; S227-L231 PolarHBondContact O-N 3.24Å; S227-L231 VanDerWaalsContact O-N 3.09Å | ||
| 228 | P | 88.5 | Confident | 73.1 | Confident | 33 Ų | 33 | 85.7 Ų | 85.7 | 21% | 0.214 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -56.9 | -34.8 | 174 | -24.9 | 33.6 | 0 | 0 | 0 | 113 | T161 M165 I168 T232 | T161-P228 HydrophobicContact CG2-CG 3.66Å; M165-P228 HydrophobicContact CG-CB 4.36Å; M165-P228 HydrophobicContact CG-CG 3.99Å; M165-P228 HydrophobicContact SD-CG 4.49Å; I168-P228 HydrophobicContact CD1-CB 4.31Å; P228-T232 VanDerWaalsContact O-CB 3.27Å; P228-T232 WeakPolarHBondContact O-CB 3.47Å; P228-T232 PolarHBondContact O-N 2.85Å; P228-T232 PolarHBondContact O-OG1 3.03Å |
| 229 | A | 90.1 | Very high | 75.5 | Confident | 8 Ų | 8 | 77.7 Ų | 77.7 | 7% | 0.066 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -69.3 | -43.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S227 T232 E233 | S227-A229 PolarHBondContact O-N 2.58Å; A229-T232 WeakPolarHBondContact O-CB 3.01Å; A229-T232 PolarHBondContact O-N 2.77Å; A229-E233 WeakPolarHBondContact O-CB 3.44Å; A229-E233 PolarHBondContact O-N 2.88Å |
| 230 | E | 91.1 | Very high | 77.9 | Confident | 109 Ų | 109 | 69 Ų | 69 | 51% | 0.509 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 175.8 | -73.3 | 162.8 | 177.3 | 0 | 0 | 112.3 | S227 T232 R234 | S227-E230 PolarHBondContact N-OE2 3.39Å; S227-E230 PolarHBondContact O-N 3.36Å; S227-E230 WeakPolarHBondContact OG-CB 3.41Å; S227-E230 VanDerWaalsContact OG-CD 3.27Å; S227-E230 WeakPolarHBondContact OG-CG 3.41Å; S227-E230 PolarHBondContact OG-N 3.46Å; S227-E230 VanDerWaalsContact OG-N 3.16Å; S227-E230 PolarHBondContact OG-OE2 3.44Å; E230-T232 VanDerWaalsContact C-N 3.33Å; E230-R234 WeakPolarHBondContact O-CG 3.34Å; E230-R234 PolarHBondContact O-N 2.99Å; E230-R234 PolarHBondContact O-NE 3.04Å |
| 231 | L | 92.6 | Very high | 80.3 | Confident | 2 Ų | 2 | 65.7 Ų | 65.7 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 173.8 | -178.8 | 69.7 | 0 | 0 | 0 | 111.8 | M165 I168 K169 E226 S227 R234 C235 | M165-L231 HydrophobicContact CB-CD2 4.39Å; M165-L231 HydrophobicContact CE-CD2 4.48Å; I168-L231 HydrophobicContact CB-CD2 3.85Å; I168-L231 HydrophobicContact CB-CG 4.28Å; I168-L231 HydrophobicContact CD1-CD2 4.41Å; I168-L231 HydrophobicContact CG2-CB 4.48Å; I168-L231 HydrophobicContact CG2-CD2 3.83Å; I168-L231 HydrophobicContact CG2-CG 3.67Å; K169-L231 HydrophobicContact CD-CD2 4.49Å; K169-L231 HydrophobicContact CG-CD1 4.26Å; K169-L231 HydrophobicContact CG-CD2 3.77Å; E226-L231 HydrophobicContact CG-CB 4.43Å; S227-L231 PolarHBondContact O-N 3.24Å; S227-L231 VanDerWaalsContact O-N 3.09Å; L231-R234 VanDerWaalsContact CA-NH2 3.3Å; L231-C235 WeakPolarHBondContact O-CB 3.45Å; L231-C235 PolarHBondContact O-N 3.21Å |
| 232 | T | 94.6 | Very high | 82.4 | Confident | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.9 | -47.2 | 176.3 | -63.5 | 0 | 0 | 0 | 0 | 111.2 | I168 L200 N203 L204 P228 A229 E230 R234 C235 F236 | I168-T232 VanDerWaalsContact CD1-OG1 3.29Å; I168-T232 WeakPolarHBondContact CD1-OG1 3.49Å; L200-T232 HydrophobicContact CB-CG2 3.82Å; L200-T232 HydrophobicContact CD2-CG2 4.12Å; L200-T232 WeakPolarHBondContact O-CG2 3.48Å; N203-T232 WeakPolarHBondContact CB-OG1 3.25Å; L204-T232 HydrophobicContact CB-CG2 3.92Å; L204-T232 HydrophobicContact CD1-CG2 4.41Å; P228-T232 VanDerWaalsContact O-CB 3.27Å; P228-T232 WeakPolarHBondContact O-CB 3.47Å; P228-T232 PolarHBondContact O-N 2.85Å; P228-T232 PolarHBondContact O-OG1 3.03Å; A229-T232 WeakPolarHBondContact O-CB 3.01Å; A229-T232 PolarHBondContact O-N 2.77Å; E230-T232 VanDerWaalsContact C-N 3.33Å; T232-R234 PolarHBondContact O-N 3.41Å; T232-C235 PolarHBondContact O-N 3.22Å; T232-F236 WeakPolarHBondContact O-CB 3.18Å; T232-F236 PolarHBondContact O-N 3.38Å |
| 233 | E | 94.3 | Very high | 84.6 | Confident | 41 Ų | 41 | 57.5 Ų | 57.5 | 19% | 0.192 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.9 | -46.7 | 178.5 | -179.6 | 169.1 | 160.6 | 0 | 0 | 111.1 | L204 A229 C235 F236 R237 R273 I277 | L204-E233 HydrophobicContact CD1-CB 4.23Å; A229-E233 WeakPolarHBondContact O-CB 3.44Å; A229-E233 PolarHBondContact O-N 2.88Å; E233-C235 PolarHBondContact O-N 3.05Å; E233-F236 PolarHBondContact O-N 3.16Å; E233-R237 HydrophobicContact CG-CG 4.37Å; E233-R237 WeakPolarHBondContact O-CB 3.41Å; E233-R237 VanDerWaalsContact O-CG 3.24Å; E233-R237 WeakPolarHBondContact O-CG 3.43Å; E233-R237 PolarHBondContact O-N 2.96Å; E233-R237 IonicContact OE1-CZ 2.77Å; E233-R237 VanDerWaalsContact OE1-CZ 3.31Å; E233-R237 IonicContact OE1-NE 3.21Å; E233-R237 PolarHBondContact OE1-NE 2.84Å; E233-R237 IonicContact OE1-NH2 2.98Å; E233-R237 PolarHBondContact OE1-NH2 3.04Å; E233-R273 IonicContact OE2-NH2 2.63Å; E233-R273 PolarHBondContact OE2-NH2 3.15Å; E233-I277 HydrophobicContact CB-CD1 4.44Å; E233-I277 HydrophobicContact CG-CD1 3.8Å; E233-I277 HydrophobicContact CG-CG1 4.03Å |
| 234 | R | 93.7 | Very high | 86.6 | Confident | 109 Ų | 109 | 50.9 Ų | 50.9 | 41% | 0.411 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -60.8 | -44.8 | 175.7 | -73.3 | 176.7 | -60.1 | 158.2 | 14.5 | 112.2 | E226 E230 L231 T232 F236 R237 E238 | E226-R234 IonicContact OE1-CZ 3.78Å; E226-R234 IonicContact OE1-NH1 2.96Å; E226-R234 PolarHBondContact OE1-NH1 3.46Å; E226-R234 IonicContact OE1-NH2 3.94Å; E226-R234 PolarHBondContact OE1-NH2 3.2Å; E226-R234 IonicContact OE2-NH2 3.19Å; E230-R234 WeakPolarHBondContact O-CG 3.34Å; E230-R234 PolarHBondContact O-N 2.99Å; E230-R234 PolarHBondContact O-NE 3.04Å; L231-R234 VanDerWaalsContact CA-NH2 3.3Å; T232-R234 PolarHBondContact O-N 3.41Å; R234-F236 VanDerWaalsContact C-N 3.3Å; R234-F236 PolarHBondContact O-N 3.21Å; R234-R237 PolarHBondContact O-N 3.29Å; R234-E238 VanDerWaalsContact O-CB 3.22Å; R234-E238 WeakPolarHBondContact O-CB 3.4Å; R234-E238 PolarHBondContact O-N 3.32Å |
| 235 | C | 94.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.9 | -40.5 | 176.2 | -176.1 | 0 | 0 | 0 | 0 | 111.7 | I168 Q172 L200 L231 T232 E233 E238 L239 | I168-C235 HydrophobicContact CG2-CB 4.17Å; Q172-C235 HydrophobicContact CB-CB 4.27Å; Q172-C235 HydrophobicContact CG-CB 4.43Å; L200-C235 HydrophobicContact CD2-CB 4.18Å; L231-C235 WeakPolarHBondContact O-CB 3.45Å; L231-C235 PolarHBondContact O-N 3.21Å; T232-C235 PolarHBondContact O-N 3.22Å; E233-C235 PolarHBondContact O-N 3.05Å; C235-E238 PolarHBondContact O-N 3.37Å; C235-L239 PolarHBondContact O-N 3.38Å |
| 236 | F | 95.2 | Very high | 89.6 | Confident | 1 Ų | 1 | 43 Ų | 43 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.8 | -42.6 | -179 | -167.3 | -149.1 | 0 | 0 | 0 | 111.7 | V197 L200 L201 T232 E233 R234 E238 L239 L240 V255 I277 I278 | V197-F236 HydrophobicContact CG1-CE2 4.47Å; V197-F236 HydrophobicContact CG2-CE2 4.35Å; L200-F236 HydrophobicContact CD1-CB 4.25Å; L200-F236 HydrophobicContact CD1-CD2 4.2Å; L201-F236 HydrophobicContact CD2-CE1 4.17Å; T232-F236 WeakPolarHBondContact O-CB 3.18Å; T232-F236 PolarHBondContact O-N 3.38Å; E233-F236 PolarHBondContact O-N 3.16Å; R234-F236 VanDerWaalsContact C-N 3.3Å; R234-F236 PolarHBondContact O-N 3.21Å; F236-E238 VanDerWaalsContact C-N 3.29Å; F236-E238 PolarHBondContact O-N 2.98Å; F236-L239 HydrophobicContact CD2-CD2 4.49Å; F236-L239 PolarHBondContact O-N 3.24Å; F236-L240 HydrophobicContact CD1-CD1 4.09Å; F236-L240 HydrophobicContact CD2-CD1 3.79Å; F236-L240 HydrophobicContact CD2-CG 3.9Å; F236-L240 HydrophobicContact CE1-CD1 3.9Å; F236-L240 HydrophobicContact CE2-CD1 3.59Å; F236-L240 HydrophobicContact CE2-CD2 3.95Å; F236-L240 HydrophobicContact CE2-CG 3.78Å; F236-L240 HydrophobicContact CG-CD1 4.03Å; F236-L240 HydrophobicContact CZ-CD1 3.65Å; F236-L240 HydrophobicContact CZ-CD2 4.45Å; F236-L240 HydrophobicContact CZ-CG 4.32Å; F236-L240 WeakPolarHBondContact O-CB 3.22Å; F236-L240 VanDerWaalsContact O-CG 3.23Å; F236-L240 WeakPolarHBondContact O-CG 3.48Å; F236-L240 PolarHBondContact O-N 3.47Å; F236-V255 HydrophobicContact CZ-CG2 3.88Å; F236-I277 HydrophobicContact CD1-CB 4.42Å; F236-I277 HydrophobicContact CD1-CG2 3.66Å; F236-I277 HydrophobicContact CE1-CG2 4.3Å; F236-I277 HydrophobicContact CG-CG2 4.37Å; F236-I278 HydrophobicContact CE1-CG1 4.12Å; F236-I278 HydrophobicContact CZ-CD1 4.37Å; F236-I278 HydrophobicContact CZ-CG1 4.05Å |
| 237 | R | 94.8 | Very high | 90.3 | Very high | 82 Ų | 82 | 41.8 Ų | 41.8 | 31% | 0.309 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.5 | -43.1 | 171.3 | -68.1 | -179.7 | 177.5 | -81.6 | 3.1 | 111.5 | E233 R234 L240 G241 I277 S281 | E233-R237 HydrophobicContact CG-CG 4.37Å; E233-R237 WeakPolarHBondContact O-CB 3.41Å; E233-R237 VanDerWaalsContact O-CG 3.24Å; E233-R237 WeakPolarHBondContact O-CG 3.43Å; E233-R237 PolarHBondContact O-N 2.96Å; E233-R237 IonicContact OE1-CZ 2.77Å; E233-R237 VanDerWaalsContact OE1-CZ 3.31Å; E233-R237 IonicContact OE1-NE 3.21Å; E233-R237 PolarHBondContact OE1-NE 2.84Å; E233-R237 IonicContact OE1-NH2 2.98Å; E233-R237 PolarHBondContact OE1-NH2 3.04Å; R234-R237 PolarHBondContact O-N 3.29Å; R237-L240 PolarHBondContact O-N 3.36Å; R237-G241 PolarHBondContact O-N 3.48Å; R237-I277 HydrophobicContact CG-CG2 3.73Å; R237-S281 WeakPolarHBondContact CA-OG 3.45Å; R237-S281 VanDerWaalsContact CG-OG 3.32Å; R237-S281 WeakPolarHBondContact CG-OG 3.45Å |
| 238 | E | 91.8 | Very high | 90.6 | Very high | 32 Ų | 32 | 40.1 Ų | 40.1 | 15% | 0.15 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.3 | -45.4 | 178.6 | -168.6 | 171.6 | 177.5 | 0 | 0 | 111.6 | Q172 R176 R234 C235 F236 R242 | Q172-E238 WeakPolarHBondContact CG-OE2 3.13Å; Q172-E238 PolarHBondContact NE2-OE2 3.2Å; R176-E238 WeakPolarHBondContact CG-OE1 3.4Å; R176-E238 IonicContact CZ-OE1 3.97Å; R176-E238 IonicContact CZ-OE2 3.73Å; R176-E238 IonicContact NE-OE1 3.82Å; R176-E238 PolarHBondContact NE-OE1 3.05Å; R176-E238 IonicContact NE-OE2 3.54Å; R176-E238 PolarHBondContact NE-OE2 3.19Å; R176-E238 IonicContact NH2-OE1 2.85Å; R176-E238 IonicContact NH2-OE2 3.9Å; R176-E238 PolarHBondContact NH2-OE2 2.99Å; R234-E238 VanDerWaalsContact O-CB 3.22Å; R234-E238 WeakPolarHBondContact O-CB 3.4Å; R234-E238 PolarHBondContact O-N 3.32Å; C235-E238 PolarHBondContact O-N 3.37Å; F236-E238 VanDerWaalsContact C-N 3.29Å; F236-E238 PolarHBondContact O-N 2.98Å; E238-R242 PolarHBondContact O-NH1 3.41Å; E238-R242 IonicContact OE1-CZ 3.75Å; E238-R242 IonicContact OE1-NH1 2.93Å; E238-R242 IonicContact OE1-NH2 3.89Å; E238-R242 PolarHBondContact OE1-NH2 3.42Å |
| 239 | L | 91.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.1 | -53.6 | 174 | 174.5 | 63.3 | 0 | 0 | 0 | 111.5 | V175 I187 W188 M193 I196 V197 C235 F236 G241 R242 | V175-L239 HydrophobicContact CG1-CB 4.12Å; V175-L239 HydrophobicContact CG1-CD1 4.08Å; V175-L239 HydrophobicContact CG2-CB 4.35Å; V175-L239 HydrophobicContact CG2-CD1 4.03Å; I187-L239 HydrophobicContact CD1-CD1 4.26Å; W188-L239 HydrophobicContact CH2-CD1 3.63Å; W188-L239 HydrophobicContact CH2-CG 4.04Å; W188-L239 WeakPolarHBondContact CH2-O 3.49Å; W188-L239 HydrophobicContact CZ2-CD1 4.24Å; W188-L239 HydrophobicContact CZ3-CD1 3.91Å; W188-L239 HydrophobicContact CZ3-CG 4.23Å; M193-L239 HydrophobicContact CE-CD1 4.07Å; M193-L239 HydrophobicContact CE-CD2 4.27Å; M193-L239 HydrophobicContact SD-CD2 4.24Å; I196-L239 HydrophobicContact CG2-CD2 4.16Å; V197-L239 HydrophobicContact CG2-CD2 4.42Å; C235-L239 PolarHBondContact O-N 3.38Å; F236-L239 HydrophobicContact CD2-CD2 4.49Å; F236-L239 PolarHBondContact O-N 3.24Å; L239-G241 PolarHBondContact O-N 2.77Å; L239-R242 PolarHBondContact O-N 3.46Å |
| 240 | L | 91.8 | Very high | 90.8 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70 | -31.6 | -173 | -66.2 | 174.2 | 0 | 0 | 0 | 113.7 | F236 R237 R242 A243 A251 I278 I282 | F236-L240 HydrophobicContact CD1-CD1 4.09Å; F236-L240 HydrophobicContact CD2-CD1 3.79Å; F236-L240 HydrophobicContact CD2-CG 3.9Å; F236-L240 HydrophobicContact CE1-CD1 3.9Å; F236-L240 HydrophobicContact CE2-CD1 3.59Å; F236-L240 HydrophobicContact CE2-CD2 3.95Å; F236-L240 HydrophobicContact CE2-CG 3.78Å; F236-L240 HydrophobicContact CG-CD1 4.03Å; F236-L240 HydrophobicContact CZ-CD1 3.65Å; F236-L240 HydrophobicContact CZ-CD2 4.45Å; F236-L240 HydrophobicContact CZ-CG 4.32Å; F236-L240 WeakPolarHBondContact O-CB 3.22Å; F236-L240 VanDerWaalsContact O-CG 3.23Å; F236-L240 WeakPolarHBondContact O-CG 3.48Å; F236-L240 PolarHBondContact O-N 3.47Å; R237-L240 PolarHBondContact O-N 3.36Å; L240-R242 PolarHBondContact O-N 3.27Å; L240-R242 VanDerWaalsContact O-N 3.1Å; L240-A243 WeakPolarHBondContact O-CB 3.2Å; L240-A243 PolarHBondContact O-N 2.82Å; L240-A251 HydrophobicContact CD2-CB 3.84Å; L240-I278 HydrophobicContact CD1-CB 4.1Å; L240-I278 HydrophobicContact CD1-CG1 3.57Å; L240-I278 HydrophobicContact CD1-CG2 4.49Å; L240-I282 HydrophobicContact CB-CG2 4.41Å |
| 241 | G | 89.4 | Confident | 90.8 | Very high | 34 Ų | 34 | 41.3 Ų | 41.3 | 35% | 0.351 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -12.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R237 L239 S281 | R237-G241 PolarHBondContact O-N 3.48Å; L239-G241 PolarHBondContact O-N 2.77Å; G241-S281 VanDerWaalsContact CA-O 3.24Å; G241-S281 WeakPolarHBondContact CA-O 3.4Å |
| 242 | R | 86 | Confident | 91 | Very high | 93 Ų | 93 | 41.3 Ų | 41.3 | 35% | 0.351 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -1.6 | 176.8 | -68 | 166.7 | 170.9 | 86.1 | -17.1 | 113.3 | V179 E238 L239 L240 A244 | V179-R242 HydrophobicContact CG1-CB 4.02Å; V179-R242 HydrophobicContact CG1-CG 4.04Å; E238-R242 PolarHBondContact O-NH1 3.41Å; E238-R242 IonicContact OE1-CZ 3.75Å; E238-R242 IonicContact OE1-NH1 2.93Å; E238-R242 IonicContact OE1-NH2 3.89Å; E238-R242 PolarHBondContact OE1-NH2 3.42Å; L239-R242 PolarHBondContact O-N 3.46Å; L240-R242 PolarHBondContact O-N 3.27Å; L240-R242 VanDerWaalsContact O-N 3.1Å; R242-A244 PolarHBondContact O-N 3.11Å |
| 243 | A | 87.1 | Confident | 91.1 | Very high | 2 Ų | 2 | 43 Ų | 43 | 2% | 0.017 | 22% | 0.222 | C | C | . | . | trans | -73.2 | 114.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | W188 L240 I248 | W188-A243 HydrophobicContact CH2-CB 3.65Å; W188-A243 HydrophobicContact CZ2-CB 4.01Å; W188-A243 HydrophobicContact CZ3-CB 4.24Å; L240-A243 WeakPolarHBondContact O-CB 3.2Å; L240-A243 PolarHBondContact O-N 2.82Å; A243-I248 HydrophobicContact CB-CD1 3.59Å; A243-I248 HydrophobicContact CB-CG1 4.5Å | ||
| 244 | A | 86.1 | Confident | 91.2 | Very high | 51 Ų | 51 | 41.2 Ų | 41.2 | 42% | 0.421 | 21% | 0.214 | S | C | . | . | trans | -77.7 | 164.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R242 G246 N247 I248 | R242-A244 PolarHBondContact O-N 3.11Å; A244-G246 VanDerWaalsContact C-N 3.32Å; A244-G246 PolarHBondContact O-N 3.11Å; A244-G246 VanDerWaalsContact O-N 3.11Å; A244-N247 PolarHBondContact O-N 3.43Å; A244-I248 PolarHBondContact O-N 2.99Å | ||
| 245 | Y | 84.7 | Confident | 91.4 | Very high | 145 Ų | 145 | 36 Ų | 36 | 57% | 0.569 | 19% | 0.194 | S | C | * | . | G | 310 helix | trans | -38.2 | -53.1 | -178.9 | -178.7 | -88.5 | 0 | 0 | 0 | 114.6 | N247 H286 L289 | Y245-N247 VanDerWaalsContact C-N 3.26Å; Y245-N247 PolarHBondContact O-N 3.14Å; Y245-H286 AromaticContact CD2-ND1 3.96Å; Y245-L289 HydrophobicContact CD2-CD1 3.54Å; Y245-L289 HydrophobicContact CD2-CD2 4.5Å; Y245-L289 HydrophobicContact CD2-CG 4.41Å; Y245-L289 HydrophobicContact CE2-CD1 3.66Å; Y245-L289 HydrophobicContact CE2-CD2 3.75Å; Y245-L289 HydrophobicContact CE2-CG 4.09Å; Y245-L289 HydrophobicContact CG-CD1 4.11Å |
| 246 | G | 84.3 | Confident | 91.5 | Very high | 54 Ų | 54 | 36.5 Ų | 36.5 | 56% | 0.557 | 20% | 0.197 | S | C | * | . | G | 310 helix | trans | -69.2 | -19.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115 | A244 | A244-G246 VanDerWaalsContact C-N 3.32Å; A244-G246 PolarHBondContact O-N 3.11Å; A244-G246 VanDerWaalsContact O-N 3.11Å |
| 247 | N | 88.9 | Confident | 91.5 | Very high | 41 Ų | 41 | 41.1 Ų | 41.1 | 22% | 0.219 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -99.6 | -15.3 | -171.7 | -62.1 | -24.1 | 0 | 0 | 0 | 113 | W188 A244 Y245 K249 N250 A251 | W188-N247 HydrophobicContact CB-CB 4.09Å; W188-N247 VanDerWaalsContact CD1-CG 3.4Å; W188-N247 HydrophobicContact CD2-CB 3.65Å; W188-N247 HydrophobicContact CE3-CB 4.13Å; W188-N247 HydrophobicContact CG-CB 3.61Å; W188-N247 VanDerWaalsContact CG-CG 3.47Å; W188-N247 PolarHBondContact NE1-ND2 2.88Å; A244-N247 PolarHBondContact O-N 3.43Å; Y245-N247 VanDerWaalsContact C-N 3.26Å; Y245-N247 PolarHBondContact O-N 3.14Å; N247-K249 PolarHBondContact O-N 3.07Å; N247-N250 PolarHBondContact O-N 3.39Å; N247-N250 VanDerWaalsContact O-N 3.09Å; N247-A251 PolarHBondContact O-N 3.46Å |
| 248 | I | 90.8 | Very high | 91.6 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.015 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -54.9 | -41.8 | 179.8 | -63.9 | -69.3 | 0 | 0 | 0 | 111.4 | A243 A244 N250 A251 V252 I282 H286 L289 V290 | A243-I248 HydrophobicContact CB-CD1 3.59Å; A243-I248 HydrophobicContact CB-CG1 4.5Å; A244-I248 PolarHBondContact O-N 2.99Å; I248-N250 PolarHBondContact O-N 3.21Å; I248-A251 PolarHBondContact O-N 3.4Å; I248-V252 HydrophobicContact CG2-CG2 4.21Å; I248-V252 WeakPolarHBondContact O-CG2 3.34Å; I248-V252 PolarHBondContact O-N 3.13Å; I248-I282 HydrophobicContact CD1-CB 4.29Å; I248-I282 HydrophobicContact CD1-CG2 3.8Å; I248-H286 HydrophobicContact CD1-CB 4.31Å; I248-H286 HydrophobicContact CG1-CB 4.22Å; I248-L289 HydrophobicContact CB-CD1 4.24Å; I248-L289 HydrophobicContact CG1-CD1 4.18Å; I248-L289 HydrophobicContact CG2-CB 4.08Å; I248-V290 HydrophobicContact CG2-CG2 3.82Å |
| 249 | K | 92.3 | Very high | 91.8 | Very high | 125 Ų | 125 | 36 Ų | 36 | 54% | 0.543 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.9 | -45.6 | 178.4 | -177.2 | 176.7 | -179.6 | -175.2 | 0 | 112 | N247 A251 V252 S253 | N247-K249 PolarHBondContact O-N 3.07Å; K249-A251 VanDerWaalsContact C-N 3.27Å; K249-A251 PolarHBondContact O-N 2.84Å; K249-V252 PolarHBondContact O-N 3.34Å; K249-S253 VanDerWaalsContact O-CB 3.26Å; K249-S253 WeakPolarHBondContact O-CB 3.47Å; K249-S253 PolarHBondContact O-N 3.13Å |
| 250 | N | 91.6 | Very high | 91.9 | Very high | 49 Ų | 49 | 38.6 Ų | 38.6 | 26% | 0.262 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -71 | -25.3 | -179.1 | -63.2 | -7.8 | 0 | 0 | 0 | 112.1 | W188 N247 I248 P254 | W188-N250 WeakPolarHBondContact O-CB 3.37Å; W188-N250 PolarHBondContact O-ND2 3.07Å; N247-N250 PolarHBondContact O-N 3.39Å; N247-N250 VanDerWaalsContact O-N 3.09Å; I248-N250 PolarHBondContact O-N 3.21Å; N250-P254 WeakPolarHBondContact O-CD 3.46Å; N250-P254 WeakPolarHBondContact O-CG 3.36Å |
| 251 | A | 91.5 | Very high | 92 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -75.8 | -39.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | W188 L240 N247 I248 K249 | W188-A251 HydrophobicContact CE3-CB 4.24Å; W188-A251 HydrophobicContact CZ3-CB 3.7Å; L240-A251 HydrophobicContact CD2-CB 3.84Å; N247-A251 PolarHBondContact O-N 3.46Å; I248-A251 PolarHBondContact O-N 3.4Å; K249-A251 VanDerWaalsContact C-N 3.27Å; K249-A251 PolarHBondContact O-N 2.84Å |
| 252 | V | 95.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.006 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -85.6 | -36.2 | -174.9 | 175.9 | 0 | 0 | 0 | 0 | 112.5 | I248 K249 V255 L256 F275 I278 V290 Q293 | I248-V252 HydrophobicContact CG2-CG2 4.21Å; I248-V252 WeakPolarHBondContact O-CG2 3.34Å; I248-V252 PolarHBondContact O-N 3.13Å; K249-V252 PolarHBondContact O-N 3.34Å; V252-V255 WeakPolarHBondContact O-CA 3.33Å; V252-V255 VanDerWaalsContact O-CB 3.29Å; V252-V255 WeakPolarHBondContact O-CB 3.27Å; V252-V255 PolarHBondContact O-N 3.39Å; V252-L256 HydrophobicContact CG1-CD1 4.1Å; V252-L256 HydrophobicContact CG1-CG 4.13Å; V252-L256 PolarHBondContact O-N 2.79Å; V252-L256 VanDerWaalsContact O-N 3.08Å; V252-F275 HydrophobicContact CG1-CE1 4.01Å; V252-F275 HydrophobicContact CG1-CZ 4.09Å; V252-I278 HydrophobicContact CG2-CG2 4.36Å; V252-V290 HydrophobicContact CG2-CG2 4.24Å; V252-Q293 HydrophobicContact CG1-CB 4.18Å |
| 253 | S | 95.9 | Very high | 92.4 | Very high | 38 Ų | 38 | 47.2 Ų | 47.2 | 27% | 0.266 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -53.6 | -46.3 | -178.1 | -179.7 | 0 | 0 | 0 | 0 | 113.6 | K249 V255 L256 M257 | K249-S253 VanDerWaalsContact O-CB 3.26Å; K249-S253 WeakPolarHBondContact O-CB 3.47Å; K249-S253 PolarHBondContact O-N 3.13Å; S253-V255 VanDerWaalsContact C-N 3.27Å; S253-V255 PolarHBondContact O-N 3.06Å; S253-L256 PolarHBondContact O-N 2.98Å; S253-M257 WeakPolarHBondContact O-CG 3.49Å; S253-M257 PolarHBondContact O-N 3.33Å |
| 254 | P | 96.8 | Very high | 92.7 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.019 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.1 | -28.6 | 177.2 | -17.2 | 29 | 0 | 0 | 0 | 113.2 | M193 D194 V197 N250 H258 | M193-P254 HydrophobicContact CB-CG 3.98Å; D194-P254 WeakPolarHBondContact OD1-CG 3.33Å; V197-P254 HydrophobicContact CB-CB 3.91Å; V197-P254 HydrophobicContact CB-CG 4.47Å; V197-P254 HydrophobicContact CG1-CB 3.96Å; N250-P254 WeakPolarHBondContact O-CD 3.46Å; N250-P254 WeakPolarHBondContact O-CG 3.36Å; P254-H258 VanDerWaalsContact O-CB 3.27Å; P254-H258 WeakPolarHBondContact O-CB 3.15Å; P254-H258 PolarHBondContact O-N 2.98Å |
| 255 | V | 97.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.2 | -48.4 | 174.2 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | V197 L201 F236 V252 S253 H258 L259 C274 F275 I278 | V197-V255 HydrophobicContact CG1-CB 4.46Å; V197-V255 HydrophobicContact CG1-CG2 3.51Å; L201-V255 HydrophobicContact CD1-CB 4.28Å; L201-V255 HydrophobicContact CD1-CG1 4.04Å; L201-V255 HydrophobicContact CD1-CG2 4.3Å; F236-V255 HydrophobicContact CZ-CG2 3.88Å; V252-V255 WeakPolarHBondContact O-CA 3.33Å; V252-V255 VanDerWaalsContact O-CB 3.29Å; V252-V255 WeakPolarHBondContact O-CB 3.27Å; V252-V255 PolarHBondContact O-N 3.39Å; S253-V255 VanDerWaalsContact C-N 3.27Å; S253-V255 PolarHBondContact O-N 3.06Å; V255-H258 PolarHBondContact O-N 3.27Å; V255-L259 HydrophobicContact CG1-CD1 4.21Å; V255-L259 WeakPolarHBondContact O-CG 3.42Å; V255-L259 PolarHBondContact O-N 3.43Å; V255-C274 HydrophobicContact CG1-CB 4.27Å; V255-F275 HydrophobicContact CG1-CE2 4.12Å; V255-F275 HydrophobicContact CG1-CZ 4.5Å; V255-I278 HydrophobicContact CB-CD1 4.5Å; V255-I278 HydrophobicContact CG1-CD1 4.18Å; V255-I278 HydrophobicContact CG2-CD1 4.09Å |
| 256 | L | 97.3 | Very high | 93.2 | Very high | 10 Ų | 10 | 43.7 Ų | 43.7 | 5% | 0.052 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59 | -48.7 | 177.4 | -65.3 | 173.5 | 0 | 0 | 0 | 111 | V252 S253 H258 L259 D260 W265 F275 L294 H297 | V252-L256 HydrophobicContact CG1-CD1 4.1Å; V252-L256 HydrophobicContact CG1-CG 4.13Å; V252-L256 PolarHBondContact O-N 2.79Å; V252-L256 VanDerWaalsContact O-N 3.08Å; S253-L256 PolarHBondContact O-N 2.98Å; L256-H258 VanDerWaalsContact C-N 3.33Å; L256-H258 PolarHBondContact O-N 3.4Å; L256-L259 PolarHBondContact O-N 2.94Å; L256-D260 PolarHBondContact O-N 3.22Å; L256-W265 HydrophobicContact CD2-CH2 3.92Å; L256-W265 HydrophobicContact CD2-CZ2 3.78Å; L256-F275 HydrophobicContact CD2-CE2 4.1Å; L256-F275 HydrophobicContact CD2-CZ 3.6Å; L256-F275 HydrophobicContact CG-CZ 4.31Å; L256-L294 HydrophobicContact CD2-CD2 4.2Å; L256-H297 HydrophobicContact CD1-CB 4.11Å; L256-H297 HydrophobicContact CD2-CB 4.23Å |
| 257 | M | 95.9 | Very high | 93.2 | Very high | 97 Ų | 97 | 43.6 Ų | 43.6 | 48% | 0.478 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.1 | -40.7 | 176.8 | -70.1 | -176.2 | 179.2 | 0 | 0 | 112.4 | S253 D260 N261 | S253-M257 WeakPolarHBondContact O-CG 3.49Å; S253-M257 PolarHBondContact O-N 3.33Å; M257-D260 PolarHBondContact O-N 3.34Å; M257-N261 VanDerWaalsContact O-CB 3.32Å; M257-N261 WeakPolarHBondContact O-CB 3.47Å; M257-N261 PolarHBondContact O-N 2.71Å; M257-N261 PolarHBondContact O-ND2 3.14Å |
| 258 | H | 95.4 | Very high | 93.2 | Very high | 8 Ų | 8 | 44.8 Ų | 44.8 | 4% | 0.037 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.1 | -44 | 177.3 | -176.6 | 91.3 | 0 | 0 | 0 | 111.7 | L201 P254 V255 L256 H262 | L201-H258 HydrophobicContact CD1-CB 3.75Å; P254-H258 VanDerWaalsContact O-CB 3.27Å; P254-H258 WeakPolarHBondContact O-CB 3.15Å; P254-H258 PolarHBondContact O-N 2.98Å; V255-H258 PolarHBondContact O-N 3.27Å; L256-H258 VanDerWaalsContact C-N 3.33Å; L256-H258 PolarHBondContact O-N 3.4Å; H258-H262 AromaticContact CD2-ND1 3.97Å; H258-H262 AromaticContact CE1-CE1 3.46Å; H258-H262 PolarHBondContact CE1-CE1 2.76Å; H258-H262 VanDerWaalsContact CE1-CE1 3.46Å; H258-H262 AromaticContact CE1-ND1 3.62Å; H258-H262 AromaticContact CG-ND1 3.86Å; H258-H262 AromaticContact ND1-CE1 3.5Å; H258-H262 AromaticContact ND1-ND1 3.64Å; H258-H262 AromaticContact NE2-ND1 3.83Å; H258-H262 WeakPolarHBondContact O-CB 3.16Å; H258-H262 PolarHBondContact O-N 3.21Å; H258-H262 PolarHBondContact O-ND1 2.72Å |
| 259 | L | 96.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.7 | -40 | 178.2 | -66.5 | 172.2 | 0 | 0 | 0 | 112.1 | V255 L256 S263 L264 W265 F270 A271 F275 | V255-L259 HydrophobicContact CG1-CD1 4.21Å; V255-L259 WeakPolarHBondContact O-CG 3.42Å; V255-L259 PolarHBondContact O-N 3.43Å; L256-L259 PolarHBondContact O-N 2.94Å; L259-S263 PolarHBondContact O-N 2.92Å; L259-L264 HydrophobicContact CD2-CB 3.67Å; L259-L264 HydrophobicContact CD2-CD1 4.05Å; L259-L264 HydrophobicContact CD2-CG 4.49Å; L259-L264 PolarHBondContact O-N 3.45Å; L259-W265 HydrophobicContact CB-CD2 4.31Å; L259-W265 HydrophobicContact CB-CZ2 3.89Å; L259-W265 HydrophobicContact CD1-CH2 3.68Å; L259-W265 HydrophobicContact CD1-CZ2 3.55Å; L259-W265 HydrophobicContact CD1-CZ3 4.21Å; L259-W265 HydrophobicContact CG-CZ2 4.38Å; L259-F270 HydrophobicContact CD2-CD1 3.81Å; L259-F270 HydrophobicContact CD2-CE1 4.08Å; L259-A271 HydrophobicContact CD1-CB 3.97Å; L259-A271 HydrophobicContact CD2-CB 4.03Å; L259-F275 HydrophobicContact CD1-CD2 4.43Å; L259-F275 HydrophobicContact CD1-CE2 3.87Å |
| 260 | D | 94.8 | Very high | 93.3 | Very high | 53 Ų | 53 | 43.8 Ų | 43.8 | 28% | 0.283 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.6 | -53.3 | 175.9 | -70 | -10.3 | 0 | 0 | 0 | 111.3 | L256 M257 H262 S263 W265 H297 | L256-D260 PolarHBondContact O-N 3.22Å; M257-D260 PolarHBondContact O-N 3.34Å; D260-H262 PolarHBondContact O-N 2.98Å; D260-S263 PolarHBondContact O-N 3.28Å; D260-S263 VanDerWaalsContact O-N 3.11Å; D260-W265 PolarHBondContact OD1-NE1 3.14Å; D260-H297 IonicContact OD1-CE1 3.26Å; D260-H297 IonicContact OD1-NE2 3.89Å; D260-H297 PolarHBondContact OD1-NE2 3.46Å; D260-H297 IonicContact OD2-CE1 2.65Å; D260-H297 PolarHBondContact OD2-CE1 3.34Å; D260-H297 IonicContact OD2-NE2 3.15Å; D260-H297 PolarHBondContact OD2-NE2 2.89Å |
| 261 | N | 94.1 | Very high | 93.5 | Very high | 131 Ų | 131 | 41.4 Ų | 41.4 | 70% | 0.701 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -62 | -30.3 | -175.1 | -71.7 | -21.3 | 0 | 0 | 0 | 112.8 | M257 | M257-N261 VanDerWaalsContact O-CB 3.32Å; M257-N261 WeakPolarHBondContact O-CB 3.47Å; M257-N261 PolarHBondContact O-N 2.71Å; M257-N261 PolarHBondContact O-ND2 3.14Å |
| 262 | H | 91.8 | Very high | 93.6 | Very high | 96 Ų | 96 | 42.3 Ų | 42.3 | 44% | 0.444 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 7.9 | -179.1 | -61.1 | 86.1 | 0 | 0 | 0 | 113.4 | H258 D260 L264 | H258-H262 AromaticContact CD2-ND1 3.97Å; H258-H262 AromaticContact CE1-CE1 3.46Å; H258-H262 PolarHBondContact CE1-CE1 2.76Å; H258-H262 VanDerWaalsContact CE1-CE1 3.46Å; H258-H262 AromaticContact CE1-ND1 3.62Å; H258-H262 AromaticContact CG-ND1 3.86Å; H258-H262 AromaticContact ND1-CE1 3.5Å; H258-H262 AromaticContact ND1-ND1 3.64Å; H258-H262 AromaticContact NE2-ND1 3.83Å; H258-H262 WeakPolarHBondContact O-CB 3.16Å; H258-H262 PolarHBondContact O-N 3.21Å; H258-H262 PolarHBondContact O-ND1 2.72Å; D260-H262 PolarHBondContact O-N 2.98Å; H262-L264 VanDerWaalsContact C-N 3.27Å; H262-L264 HydrophobicContact CB-CD1 3.66Å; H262-L264 HydrophobicContact CB-CD2 4.3Å; H262-L264 HydrophobicContact CB-CG 3.65Å; H262-L264 PolarHBondContact O-N 3.05Å |
| 263 | S | 92.1 | Very high | 93.6 | Very high | 84 Ų | 84 | 45.5 Ų | 45.5 | 59% | 0.587 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 37.3 | -179.5 | -56.5 | 0 | 0 | 0 | 0 | 114.2 | L259 D260 W265 | L259-S263 PolarHBondContact O-N 2.92Å; D260-S263 PolarHBondContact O-N 3.28Å; D260-S263 VanDerWaalsContact O-N 3.11Å; S263-W265 VanDerWaalsContact C-N 3.33Å; S263-W265 PolarHBondContact O-N 3.48Å |
| 264 | L | 93.5 | Very high | 93.6 | Very high | 24 Ų | 24 | 43.7 Ų | 43.7 | 13% | 0.126 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -4.3 | -171.2 | -61.5 | 173.1 | 0 | 0 | 0 | 113.9 | L259 H262 F270 | L259-L264 HydrophobicContact CD2-CB 3.67Å; L259-L264 HydrophobicContact CD2-CD1 4.05Å; L259-L264 HydrophobicContact CD2-CG 4.49Å; L259-L264 PolarHBondContact O-N 3.45Å; H262-L264 VanDerWaalsContact C-N 3.27Å; H262-L264 HydrophobicContact CB-CD1 3.66Å; H262-L264 HydrophobicContact CB-CD2 4.3Å; H262-L264 HydrophobicContact CB-CG 3.65Å; H262-L264 PolarHBondContact O-N 3.05Å; L264-F270 HydrophobicContact CB-CD1 4.37Å; L264-F270 HydrophobicContact CD1-CD1 3.66Å; L264-F270 HydrophobicContact CD1-CE1 3.76Å; L264-F270 HydrophobicContact CG-CD1 4.47Å |
| 265 | W | 94.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.008 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -30 | 175.4 | -64.8 | 108.6 | 0 | 0 | 0 | 113.4 | L256 L259 D260 S263 G267 K268 A271 F275 L294 H297 V308 G311 I312 V315 | L256-W265 HydrophobicContact CD2-CH2 3.92Å; L256-W265 HydrophobicContact CD2-CZ2 3.78Å; L259-W265 HydrophobicContact CB-CD2 4.31Å; L259-W265 HydrophobicContact CB-CZ2 3.89Å; L259-W265 HydrophobicContact CD1-CH2 3.68Å; L259-W265 HydrophobicContact CD1-CZ2 3.55Å; L259-W265 HydrophobicContact CD1-CZ3 4.21Å; L259-W265 HydrophobicContact CG-CZ2 4.38Å; D260-W265 PolarHBondContact OD1-NE1 3.14Å; S263-W265 VanDerWaalsContact C-N 3.33Å; S263-W265 PolarHBondContact O-N 3.48Å; W265-G267 PolarHBondContact O-N 3.03Å; W265-K268 WeakPolarHBondContact O-CG 3.46Å; W265-K268 PolarHBondContact O-N 3.4Å; W265-A271 HydrophobicContact CE3-CB 3.93Å; W265-A271 HydrophobicContact CZ3-CB 4.05Å; W265-F275 HydrophobicContact CH2-CE2 4.11Å; W265-L294 HydrophobicContact CH2-CD2 4.26Å; W265-H297 AromaticContact CZ2-CD2 3.69Å; W265-H297 AromaticContact CZ2-NE2 3.8Å; W265-H297 AromaticContact NE1-NE2 3.94Å; W265-V308 HydrophobicContact CB-CB 4.33Å; W265-V308 HydrophobicContact CB-CG1 4.01Å; W265-V308 HydrophobicContact CB-CG2 4.35Å; W265-V308 HydrophobicContact CG-CG1 4.16Å; W265-G311 WeakPolarHBondContact O-CA 3.3Å; W265-I312 HydrophobicContact CD2-CG1 3.71Å; W265-I312 HydrophobicContact CE3-CB 4.27Å; W265-I312 HydrophobicContact CE3-CG1 3.55Å; W265-I312 HydrophobicContact CG-CG1 4.39Å; W265-I312 HydrophobicContact CH2-CG1 3.95Å; W265-I312 HydrophobicContact CZ2-CG1 4.1Å; W265-I312 HydrophobicContact CZ3-CB 4.13Å; W265-I312 HydrophobicContact CZ3-CG1 3.67Å; W265-V315 HydrophobicContact CE3-CG2 4.45Å; W265-V315 HydrophobicContact CZ3-CB 4.16Å; W265-V315 HydrophobicContact CZ3-CG2 3.78Å |
| 266 | E | 87.7 | Confident | 93.5 | Very high | 97 Ų | 97 | 47 Ų | 47 | 45% | 0.453 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -36.4 | -177.5 | -61.3 | -163.5 | 179 | 0 | 0 | 112.7 | K307 V308 | E266-K307 HydrophobicContact CG-CB 4.05Å; E266-V308 HydrophobicContact CG-CG2 4.24Å |
| 267 | G | 83.4 | Confident | 93.4 | Very high | 53 Ų | 53 | 46.7 Ų | 46.7 | 55% | 0.546 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -20.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114 | W265 T269 | W265-G267 PolarHBondContact O-N 3.03Å; G267-T269 PolarHBondContact O-N 3.21Å |
| 268 | K | 88.3 | Confident | 93.4 | Very high | 65 Ų | 65 | 42 Ų | 42 | 28% | 0.283 | 23% | 0.229 | S | C | . | . | trans | 59.7 | -39.5 | 179.3 | -45.2 | -174.8 | -177.6 | -179 | 0 | 116.5 | W265 F270 A271 V272 E314 | W265-K268 WeakPolarHBondContact O-CG 3.46Å; W265-K268 PolarHBondContact O-N 3.4Å; K268-F270 PolarHBondContact O-N 3.09Å; K268-A271 PolarHBondContact O-N 2.85Å; K268-V272 WeakPolarHBondContact O-CB 3.39Å; K268-V272 VanDerWaalsContact O-CG2 3.3Å; K268-V272 WeakPolarHBondContact O-CG2 3.34Å; K268-V272 PolarHBondContact O-N 2.84Å; K268-E314 HydrophobicContact CD-CB 4.13Å; K268-E314 HydrophobicContact CD-CG 4.23Å | ||
| 269 | T | 91 | Very high | 93.3 | Very high | 100 Ų | 100 | 42.2 Ų | 42.2 | 61% | 0.613 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -56 | -51.9 | -173 | 52.9 | 0 | 0 | 0 | 0 | 112.8 | G267 V272 R273 | G267-T269 PolarHBondContact O-N 3.21Å; T269-V272 PolarHBondContact O-N 3.47Å; T269-R273 WeakPolarHBondContact O-CB 3.44Å; T269-R273 PolarHBondContact O-N 3.09Å |
| 270 | F | 93.8 | Very high | 93.2 | Very high | 7 Ų | 7 | 49.3 Ų | 49.3 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.4 | -43.2 | -179.8 | -176.1 | -103.8 | 0 | 0 | 0 | 111.7 | L201 L204 Q205 L259 L264 K268 V272 R273 C274 | L201-F270 HydrophobicContact CB-CZ 4.43Å; L201-F270 HydrophobicContact CD2-CZ 4.46Å; L204-F270 HydrophobicContact CB-CE2 4.12Å; L204-F270 HydrophobicContact CB-CZ 4.36Å; L204-F270 HydrophobicContact CD2-CE2 4.08Å; L204-F270 HydrophobicContact CD2-CZ 4.37Å; L204-F270 HydrophobicContact CG-CE2 4.01Å; Q205-F270 HydrophobicContact CB-CD2 4.32Å; Q205-F270 HydrophobicContact CB-CE2 3.71Å; Q205-F270 HydrophobicContact CB-CZ 3.82Å; Q205-F270 HydrophobicContact CG-CD2 4.38Å; Q205-F270 HydrophobicContact CG-CE2 4.25Å; Q205-F270 HydrophobicContact CG-CZ 4.45Å; L259-F270 HydrophobicContact CD2-CD1 3.81Å; L259-F270 HydrophobicContact CD2-CE1 4.08Å; L264-F270 HydrophobicContact CB-CD1 4.37Å; L264-F270 HydrophobicContact CD1-CD1 3.66Å; L264-F270 HydrophobicContact CD1-CE1 3.76Å; L264-F270 HydrophobicContact CG-CD1 4.47Å; K268-F270 PolarHBondContact O-N 3.09Å; F270-V272 PolarHBondContact O-N 3.49Å; F270-R273 WeakPolarHBondContact O-CB 3.24Å; F270-R273 PolarHBondContact O-N 3.05Å; F270-C274 VanDerWaalsContact CE1-SG 3.51Å; F270-C274 VanDerWaalsContact CZ-SG 3.59Å; F270-C274 PolarHBondContact O-N 3.45Å; F270-C274 PolarHBondContact O-SG 3.34Å |
| 271 | A | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.9 | -45.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L259 W265 K268 R273 C274 F275 V315 | L259-A271 HydrophobicContact CD1-CB 3.97Å; L259-A271 HydrophobicContact CD2-CB 4.03Å; W265-A271 HydrophobicContact CE3-CB 3.93Å; W265-A271 HydrophobicContact CZ3-CB 4.05Å; K268-A271 PolarHBondContact O-N 2.85Å; A271-R273 PolarHBondContact O-N 2.96Å; A271-C274 PolarHBondContact O-N 3.25Å; A271-F275 WeakPolarHBondContact O-CD2 3.46Å; A271-F275 PolarHBondContact O-N 3.13Å; A271-V315 HydrophobicContact CB-CG2 3.79Å |
| 272 | V | 95.6 | Very high | 93 | Very high | 20 Ų | 20 | 42 Ų | 42 | 12% | 0.121 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.1 | -44.5 | 174.4 | 169 | 0 | 0 | 0 | 0 | 110.9 | K268 T269 F270 C274 F275 K276 E314 V315 E318 | K268-V272 WeakPolarHBondContact O-CB 3.39Å; K268-V272 VanDerWaalsContact O-CG2 3.3Å; K268-V272 WeakPolarHBondContact O-CG2 3.34Å; K268-V272 PolarHBondContact O-N 2.84Å; T269-V272 PolarHBondContact O-N 3.47Å; F270-V272 PolarHBondContact O-N 3.49Å; V272-C274 PolarHBondContact O-N 3.04Å; V272-F275 PolarHBondContact O-N 3.17Å; V272-K276 HydrophobicContact CG1-CD 3.97Å; V272-K276 HydrophobicContact CG1-CG 4.25Å; V272-K276 WeakPolarHBondContact O-CB 3.34Å; V272-K276 VanDerWaalsContact O-CG 3.3Å; V272-K276 WeakPolarHBondContact O-CG 3.34Å; V272-K276 PolarHBondContact O-N 3.4Å; V272-E314 HydrophobicContact CG2-CG 4.15Å; V272-V315 HydrophobicContact CG2-CG2 3.88Å; V272-E318 HydrophobicContact CG1-CB 4.29Å; V272-E318 HydrophobicContact CG1-CG 3.88Å; V272-E318 HydrophobicContact CG2-CG 4.36Å |
| 273 | R | 94.8 | Very high | 92.8 | Very high | 67 Ų | 67 | 42.1 Ų | 42.1 | 25% | 0.253 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.6 | -47.6 | 176.9 | -176.7 | -179.4 | -179.8 | 172.1 | 3.6 | 112 | E208 E233 T269 F270 A271 F275 K276 I277 | E208-R273 VanDerWaalsContact OE1-CD 3.31Å; E208-R273 WeakPolarHBondContact OE1-CD 3.49Å; E208-R273 IonicContact OE1-NH1 3.18Å; E208-R273 PolarHBondContact OE1-NH1 3.15Å; E233-R273 IonicContact OE2-NH2 2.63Å; E233-R273 PolarHBondContact OE2-NH2 3.15Å; T269-R273 WeakPolarHBondContact O-CB 3.44Å; T269-R273 PolarHBondContact O-N 3.09Å; F270-R273 WeakPolarHBondContact O-CB 3.24Å; F270-R273 PolarHBondContact O-N 3.05Å; A271-R273 PolarHBondContact O-N 2.96Å; R273-F275 VanDerWaalsContact C-N 3.35Å; R273-F275 PolarHBondContact O-N 3.37Å; R273-K276 PolarHBondContact O-N 2.65Å; R273-I277 HydrophobicContact CG-CD1 4.17Å; R273-I277 WeakPolarHBondContact O-CG1 3.4Å; R273-I277 PolarHBondContact O-N 3.46Å |
| 274 | C | 96.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.7 | -48.8 | 177.7 | -68.5 | 0 | 0 | 0 | 0 | 111.4 | V255 F270 A271 V272 I277 I278 | V255-C274 HydrophobicContact CG1-CB 4.27Å; F270-C274 VanDerWaalsContact CE1-SG 3.51Å; F270-C274 VanDerWaalsContact CZ-SG 3.59Å; F270-C274 PolarHBondContact O-N 3.45Å; F270-C274 PolarHBondContact O-SG 3.34Å; A271-C274 PolarHBondContact O-N 3.25Å; V272-C274 PolarHBondContact O-N 3.04Å; C274-I277 WeakPolarHBondContact O-CB 3.32Å; C274-I277 PolarHBondContact O-N 3.4Å; C274-I278 VanDerWaalsContact O-CG1 3.31Å; C274-I278 WeakPolarHBondContact O-CG1 3.47Å; C274-I278 PolarHBondContact O-N 3.27Å |
| 275 | F | 96.4 | Very high | 92.2 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.018 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -73.7 | -27.9 | -179.6 | -83.5 | -88.6 | 0 | 0 | 0 | 113.6 | V252 V255 L256 L259 W265 A271 V272 R273 I278 M279 V290 L294 V315 | V252-F275 HydrophobicContact CG1-CE1 4.01Å; V252-F275 HydrophobicContact CG1-CZ 4.09Å; V255-F275 HydrophobicContact CG1-CE2 4.12Å; V255-F275 HydrophobicContact CG1-CZ 4.5Å; L256-F275 HydrophobicContact CD2-CE2 4.1Å; L256-F275 HydrophobicContact CD2-CZ 3.6Å; L256-F275 HydrophobicContact CG-CZ 4.31Å; L259-F275 HydrophobicContact CD1-CD2 4.43Å; L259-F275 HydrophobicContact CD1-CE2 3.87Å; W265-F275 HydrophobicContact CH2-CE2 4.11Å; A271-F275 WeakPolarHBondContact O-CD2 3.46Å; A271-F275 PolarHBondContact O-N 3.13Å; V272-F275 PolarHBondContact O-N 3.17Å; R273-F275 VanDerWaalsContact C-N 3.35Å; R273-F275 PolarHBondContact O-N 3.37Å; F275-I278 HydrophobicContact CD1-CD1 4.01Å; F275-I278 HydrophobicContact CE1-CD1 4.12Å; F275-I278 HydrophobicContact CG-CD1 4.25Å; F275-I278 HydrophobicContact CZ-CD1 4.44Å; F275-I278 PolarHBondContact O-N 2.75Å; F275-M279 WeakPolarHBondContact O-CB 3.29Å; F275-M279 WeakPolarHBondContact O-CG 3.43Å; F275-M279 PolarHBondContact O-N 2.9Å; F275-V290 HydrophobicContact CD1-CG1 3.86Å; F275-V290 HydrophobicContact CE1-CG1 3.82Å; F275-L294 HydrophobicContact CD1-CD1 3.79Å; F275-L294 HydrophobicContact CD1-CD2 4.11Å; F275-L294 HydrophobicContact CD1-CG 4.17Å; F275-L294 HydrophobicContact CD2-CD2 4.49Å; F275-L294 HydrophobicContact CE1-CD1 3.83Å; F275-L294 HydrophobicContact CE1-CD2 3.58Å; F275-L294 HydrophobicContact CE1-CG 3.68Å; F275-L294 HydrophobicContact CE2-CD2 4Å; F275-L294 HydrophobicContact CZ-CD2 3.52Å; F275-L294 HydrophobicContact CZ-CG 4.12Å; F275-V315 HydrophobicContact CB-CG1 3.5Å; F275-V315 VanDerWaalsContact CB-CG1 3.5Å; F275-V315 HydrophobicContact CD1-CG1 3.96Å; F275-V315 HydrophobicContact CD2-CG1 3.48Å; F275-V315 VanDerWaalsContact CD2-CG1 3.48Å; F275-V315 HydrophobicContact CE2-CG1 4.18Å; F275-V315 HydrophobicContact CG-CG1 3.34Å |
| 276 | K | 95.3 | Very high | 91.8 | Very high | 70 Ų | 70 | 46.5 Ų | 46.5 | 30% | 0.304 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.3 | -47.3 | 167.2 | -78 | -175.4 | 174.3 | -179.6 | 0 | 111.1 | V272 R273 I278 M279 Y280 E318 I322 | V272-K276 HydrophobicContact CG1-CD 3.97Å; V272-K276 HydrophobicContact CG1-CG 4.25Å; V272-K276 WeakPolarHBondContact O-CB 3.34Å; V272-K276 VanDerWaalsContact O-CG 3.3Å; V272-K276 WeakPolarHBondContact O-CG 3.34Å; V272-K276 PolarHBondContact O-N 3.4Å; R273-K276 PolarHBondContact O-N 2.65Å; K276-I278 VanDerWaalsContact C-N 3.28Å; K276-I278 PolarHBondContact O-N 3.26Å; K276-M279 PolarHBondContact O-N 2.97Å; K276-Y280 HydrophobicContact CB-CD2 4.32Å; K276-Y280 HydrophobicContact CB-CE2 4.26Å; K276-Y280 WeakPolarHBondContact O-CB 3.37Å; K276-Y280 WeakPolarHBondContact O-CD2 3.47Å; K276-Y280 PolarHBondContact O-N 3.17Å; K276-E318 WeakPolarHBondContact CE-OE2 3.38Å; K276-E318 IonicContact NZ-OE2 3.8Å; K276-E318 PolarHBondContact NZ-OE2 2.97Å; K276-I322 HydrophobicContact CG-CD1 3.98Å |
| 277 | I | 95.5 | Very high | 91.9 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.7 | -45.1 | 175.3 | -66.3 | 162.8 | 0 | 0 | 0 | 109.9 | L204 E233 F236 R237 R273 C274 S281 | L204-I277 HydrophobicContact CD1-CD1 4.43Å; L204-I277 HydrophobicContact CD2-CD1 3.78Å; E233-I277 HydrophobicContact CB-CD1 4.44Å; E233-I277 HydrophobicContact CG-CD1 3.8Å; E233-I277 HydrophobicContact CG-CG1 4.03Å; F236-I277 HydrophobicContact CD1-CB 4.42Å; F236-I277 HydrophobicContact CD1-CG2 3.66Å; F236-I277 HydrophobicContact CE1-CG2 4.3Å; F236-I277 HydrophobicContact CG-CG2 4.37Å; R237-I277 HydrophobicContact CG-CG2 3.73Å; R273-I277 HydrophobicContact CG-CD1 4.17Å; R273-I277 WeakPolarHBondContact O-CG1 3.4Å; R273-I277 PolarHBondContact O-N 3.46Å; C274-I277 WeakPolarHBondContact O-CB 3.32Å; C274-I277 PolarHBondContact O-N 3.4Å; I277-S281 VanDerWaalsContact O-CB 3.3Å; I277-S281 WeakPolarHBondContact O-CB 3.46Å; I277-S281 PolarHBondContact O-N 3.42Å; I277-S281 PolarHBondContact O-OG 3.49Å |
| 278 | I | 95.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60 | -56.2 | 178 | -64.1 | 161.7 | 0 | 0 | 0 | 111.5 | F236 L240 V252 V255 C274 F275 K276 Y280 S281 I282 V290 | F236-I278 HydrophobicContact CE1-CG1 4.12Å; F236-I278 HydrophobicContact CZ-CD1 4.37Å; F236-I278 HydrophobicContact CZ-CG1 4.05Å; L240-I278 HydrophobicContact CD1-CB 4.1Å; L240-I278 HydrophobicContact CD1-CG1 3.57Å; L240-I278 HydrophobicContact CD1-CG2 4.49Å; V252-I278 HydrophobicContact CG2-CG2 4.36Å; V255-I278 HydrophobicContact CB-CD1 4.5Å; V255-I278 HydrophobicContact CG1-CD1 4.18Å; V255-I278 HydrophobicContact CG2-CD1 4.09Å; C274-I278 VanDerWaalsContact O-CG1 3.31Å; C274-I278 WeakPolarHBondContact O-CG1 3.47Å; C274-I278 PolarHBondContact O-N 3.27Å; F275-I278 HydrophobicContact CD1-CD1 4.01Å; F275-I278 HydrophobicContact CE1-CD1 4.12Å; F275-I278 HydrophobicContact CG-CD1 4.25Å; F275-I278 HydrophobicContact CZ-CD1 4.44Å; F275-I278 PolarHBondContact O-N 2.75Å; K276-I278 VanDerWaalsContact C-N 3.28Å; K276-I278 PolarHBondContact O-N 3.26Å; I278-Y280 VanDerWaalsContact C-N 3.31Å; I278-Y280 PolarHBondContact O-N 3.32Å; I278-S281 PolarHBondContact O-N 2.96Å; I278-I282 HydrophobicContact CG2-CG2 4.25Å; I278-I282 WeakPolarHBondContact O-CG1 3.43Å; I278-I282 PolarHBondContact O-N 3.15Å; I278-V290 HydrophobicContact CG2-CG1 4.23Å; I278-V290 HydrophobicContact CG2-CG2 4.12Å |
| 279 | M | 93.5 | Very high | 92.3 | Very high | 12 Ų | 12 | 38.6 Ų | 38.6 | 6% | 0.059 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63 | -34.7 | -174.2 | -67.2 | -60.1 | -66.6 | 0 | 0 | 113.1 | F275 K276 S281 I282 V290 A319 I322 A323 | F275-M279 WeakPolarHBondContact O-CB 3.29Å; F275-M279 WeakPolarHBondContact O-CG 3.43Å; F275-M279 PolarHBondContact O-N 2.9Å; K276-M279 PolarHBondContact O-N 2.97Å; M279-S281 VanDerWaalsContact C-N 3.32Å; M279-I282 HydrophobicContact SD-CD1 4.35Å; M279-V290 HydrophobicContact SD-CB 3.78Å; M279-V290 HydrophobicContact SD-CG1 3.71Å; M279-V290 HydrophobicContact SD-CG2 4.24Å; M279-A319 HydrophobicContact CE-CB 4.37Å; M279-A319 WeakPolarHBondContact CE-O 3.44Å; M279-A319 HydrophobicContact CG-CB 3.97Å; M279-A319 HydrophobicContact SD-CB 4.23Å; M279-I322 HydrophobicContact CB-CB 4.21Å; M279-I322 HydrophobicContact CB-CD1 3.99Å; M279-I322 HydrophobicContact CB-CG2 3.84Å; M279-A323 HydrophobicContact CE-CB 3.8Å |
| 280 | Y | 93.6 | Very high | 92.4 | Very high | 148 Ų | 148 | 33.8 Ų | 33.8 | 58% | 0.58 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -77.6 | -14.9 | 175 | -72.9 | -55.4 | 0 | 0 | 0 | 114.3 | K276 I278 I322 | K276-Y280 HydrophobicContact CB-CD2 4.32Å; K276-Y280 HydrophobicContact CB-CE2 4.26Å; K276-Y280 WeakPolarHBondContact O-CB 3.37Å; K276-Y280 WeakPolarHBondContact O-CD2 3.47Å; K276-Y280 PolarHBondContact O-N 3.17Å; I278-Y280 VanDerWaalsContact C-N 3.31Å; I278-Y280 PolarHBondContact O-N 3.32Å; Y280-I322 HydrophobicContact CD1-CG2 4.06Å; Y280-I322 HydrophobicContact CD2-CD1 4.34Å; Y280-I322 HydrophobicContact CE1-CD1 4.33Å; Y280-I322 HydrophobicContact CE1-CG1 4.23Å; Y280-I322 HydrophobicContact CE1-CG2 3.86Å; Y280-I322 HydrophobicContact CE2-CD1 3.78Å; Y280-I322 HydrophobicContact CE2-CG1 4.44Å |
| 281 | S | 93.5 | Very high | 92.4 | Very high | 19 Ų | 19 | 33.6 Ų | 33.6 | 13% | 0.133 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -97.8 | -38.6 | -176.7 | -55 | 0 | 0 | 0 | 0 | 112.5 | R237 G241 I277 I278 M279 | R237-S281 WeakPolarHBondContact CA-OG 3.45Å; R237-S281 VanDerWaalsContact CG-OG 3.32Å; R237-S281 WeakPolarHBondContact CG-OG 3.45Å; G241-S281 VanDerWaalsContact CA-O 3.24Å; G241-S281 WeakPolarHBondContact CA-O 3.4Å; I277-S281 VanDerWaalsContact O-CB 3.3Å; I277-S281 WeakPolarHBondContact O-CB 3.46Å; I277-S281 PolarHBondContact O-N 3.42Å; I277-S281 PolarHBondContact O-OG 3.49Å; I278-S281 PolarHBondContact O-N 2.96Å; M279-S281 VanDerWaalsContact C-N 3.32Å |
| 282 | I | 91.5 | Very high | 92.2 | Very high | 13 Ų | 13 | 37 Ų | 37 | 7% | 0.067 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -71.7 | 157.3 | -178.9 | 63.5 | 162.7 | 0 | 0 | 0 | 111.5 | L240 I248 I278 M279 V290 | L240-I282 HydrophobicContact CB-CG2 4.41Å; I248-I282 HydrophobicContact CD1-CB 4.29Å; I248-I282 HydrophobicContact CD1-CG2 3.8Å; I278-I282 HydrophobicContact CG2-CG2 4.25Å; I278-I282 WeakPolarHBondContact O-CG1 3.43Å; I278-I282 PolarHBondContact O-N 3.15Å; M279-I282 HydrophobicContact SD-CD1 4.35Å; I282-V290 HydrophobicContact CD1-CB 4.46Å; I282-V290 HydrophobicContact CD1-CG2 3.44Å; I282-V290 VanDerWaalsContact CD1-CG2 3.44Å |
| 283 | Q | 87.8 | Confident | 92.2 | Very high | 98 Ų | 98 | 38.3 Ų | 38.3 | 46% | 0.458 | 18% | 0.182 | S | C | . | . | trans | -64.6 | 138.2 | 172.7 | -61 | -179.3 | -0.7 | 0 | 0 | 110.7 | Q285 H286 | Q283-Q285 HydrophobicContact CB-CG 4.02Å; Q283-Q285 PolarHBondContact O-N 2.9Å; Q283-Q285 VanDerWaalsContact O-N 3.13Å; Q283-H286 PolarHBondContact O-N 2.8Å | ||
| 284 | S | 85.4 | Confident | 92.2 | Very high | 78 Ų | 78 | 35.1 Ų | 35.1 | 55% | 0.545 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -57.5 | -32 | -175.1 | 59.6 | 0 | 0 | 0 | 0 | 113.8 | H286 S287 | S284-H286 PolarHBondContact O-N 2.96Å; S284-S287 WeakPolarHBondContact O-CB 3.3Å; S284-S287 PolarHBondContact O-N 3.46Å; S284-S287 PolarHBondContact O-OG 3.34Å |
| 285 | Q | 86.5 | Confident | 92.2 | Very high | 107 Ų | 107 | 35.2 Ų | 35.2 | 50% | 0.5 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -61.9 | -23.5 | 174.5 | 58.2 | 176.5 | 9.9 | 0 | 0 | 114 | Q283 H288 | Q283-Q285 HydrophobicContact CB-CG 4.02Å; Q283-Q285 PolarHBondContact O-N 2.9Å; Q283-Q285 VanDerWaalsContact O-N 3.13Å; Q285-H288 PolarHBondContact O-CE1 3.38Å; Q285-H288 PolarHBondContact O-ND1 2.92Å |
| 286 | H | 87.5 | Confident | 92.1 | Very high | 17 Ų | 17 | 37 Ų | 37 | 8% | 0.079 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -99 | -2 | -179.7 | -57.5 | -32.6 | 0 | 0 | 0 | 113.3 | Y245 I248 Q283 S284 H288 L289 | Y245-H286 AromaticContact CD2-ND1 3.96Å; I248-H286 HydrophobicContact CD1-CB 4.31Å; I248-H286 HydrophobicContact CG1-CB 4.22Å; Q283-H286 PolarHBondContact O-N 2.8Å; S284-H286 PolarHBondContact O-N 2.96Å; H286-H288 VanDerWaalsContact C-N 3.28Å; H286-H288 PolarHBondContact O-N 2.97Å; H286-L289 HydrophobicContact CB-CD1 4.28Å; H286-L289 WeakPolarHBondContact O-CB 3.47Å; H286-L289 PolarHBondContact O-N 3.26Å |
| 287 | S | 89.6 | Confident | 92.2 | Very high | 4 Ų | 4 | 34.7 Ų | 34.7 | 3% | 0.028 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -54.8 | -39.4 | -179.8 | 58.8 | 0 | 0 | 0 | 0 | 113.7 | S284 L289 V290 I291 | S284-S287 WeakPolarHBondContact O-CB 3.3Å; S284-S287 PolarHBondContact O-N 3.46Å; S284-S287 PolarHBondContact O-OG 3.34Å; S287-L289 PolarHBondContact O-N 2.62Å; S287-V290 PolarHBondContact O-N 3.14Å; S287-V290 VanDerWaalsContact O-N 3.14Å; S287-I291 PolarHBondContact O-N 3.49Å |
| 288 | H | 88.6 | Confident | 92.2 | Very high | 29 Ų | 29 | 34.7 Ų | 34.7 | 13% | 0.134 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.2 | -29.8 | 178.4 | 70.5 | -84.8 | 0 | 0 | 0 | 113.1 | Q285 H286 I291 Q292 T331 | Q285-H288 PolarHBondContact O-CE1 3.38Å; Q285-H288 PolarHBondContact O-ND1 2.92Å; H286-H288 VanDerWaalsContact C-N 3.28Å; H286-H288 PolarHBondContact O-N 2.97Å; H288-I291 PolarHBondContact O-N 2.9Å; H288-Q292 WeakPolarHBondContact O-CB 3.4Å; H288-Q292 PolarHBondContact O-N 3.21Å; H288-T331 HydrophobicContact CB-CG2 4.1Å |
| 289 | L | 91.1 | Very high | 92.2 | Very high | 15 Ų | 15 | 36.6 Ų | 36.6 | 8% | 0.079 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.5 | -39.2 | 177.3 | -62.5 | 173.1 | 0 | 0 | 0 | 111.7 | Y245 I248 H286 S287 I291 Q292 Q293 | Y245-L289 HydrophobicContact CD2-CD1 3.54Å; Y245-L289 HydrophobicContact CD2-CD2 4.5Å; Y245-L289 HydrophobicContact CD2-CG 4.41Å; Y245-L289 HydrophobicContact CE2-CD1 3.66Å; Y245-L289 HydrophobicContact CE2-CD2 3.75Å; Y245-L289 HydrophobicContact CE2-CG 4.09Å; Y245-L289 HydrophobicContact CG-CD1 4.11Å; I248-L289 HydrophobicContact CB-CD1 4.24Å; I248-L289 HydrophobicContact CG1-CD1 4.18Å; I248-L289 HydrophobicContact CG2-CB 4.08Å; H286-L289 HydrophobicContact CB-CD1 4.28Å; H286-L289 WeakPolarHBondContact O-CB 3.47Å; H286-L289 PolarHBondContact O-N 3.26Å; S287-L289 PolarHBondContact O-N 2.62Å; L289-I291 VanDerWaalsContact C-N 3.35Å; L289-Q292 PolarHBondContact O-N 3Å; L289-Q293 WeakPolarHBondContact O-CG 3.21Å; L289-Q293 PolarHBondContact O-N 3.42Å |
| 290 | V | 93.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66 | -42.5 | 176.9 | -179 | 0 | 0 | 0 | 0 | 110.1 | I248 V252 F275 I278 M279 I282 S287 Q292 Q293 L294 | I248-V290 HydrophobicContact CG2-CG2 3.82Å; V252-V290 HydrophobicContact CG2-CG2 4.24Å; F275-V290 HydrophobicContact CD1-CG1 3.86Å; F275-V290 HydrophobicContact CE1-CG1 3.82Å; I278-V290 HydrophobicContact CG2-CG1 4.23Å; I278-V290 HydrophobicContact CG2-CG2 4.12Å; M279-V290 HydrophobicContact SD-CB 3.78Å; M279-V290 HydrophobicContact SD-CG1 3.71Å; M279-V290 HydrophobicContact SD-CG2 4.24Å; I282-V290 HydrophobicContact CD1-CB 4.46Å; I282-V290 HydrophobicContact CD1-CG2 3.44Å; I282-V290 VanDerWaalsContact CD1-CG2 3.44Å; S287-V290 PolarHBondContact O-N 3.14Å; S287-V290 VanDerWaalsContact O-N 3.14Å; V290-Q292 VanDerWaalsContact C-N 3.32Å; V290-Q292 PolarHBondContact O-N 2.83Å; V290-Q293 PolarHBondContact O-N 3.35Å; V290-L294 HydrophobicContact CG1-CD1 4.32Å; V290-L294 WeakPolarHBondContact O-CG 3.22Å; V290-L294 PolarHBondContact O-N 2.91Å |
| 291 | I | 92.9 | Very high | 92.2 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.1 | -45.8 | 173 | -64 | 174.5 | 0 | 0 | 0 | 109.9 | S287 H288 L289 Q293 L294 L295 L316 A323 V335 | S287-I291 PolarHBondContact O-N 3.49Å; H288-I291 PolarHBondContact O-N 2.9Å; L289-I291 VanDerWaalsContact C-N 3.35Å; I291-Q293 PolarHBondContact O-N 3.31Å; I291-L294 WeakPolarHBondContact O-CB 3.48Å; I291-L294 PolarHBondContact O-N 3.26Å; I291-L294 VanDerWaalsContact O-N 3.17Å; I291-L295 HydrophobicContact CG2-CD1 4.21Å; I291-L295 HydrophobicContact CG2-CG 4.31Å; I291-L295 VanDerWaalsContact O-CG 3.32Å; I291-L295 WeakPolarHBondContact O-CG 3.41Å; I291-L295 PolarHBondContact O-N 3.4Å; I291-L316 HydrophobicContact CG2-CD2 4.17Å; I291-A323 HydrophobicContact CD1-CB 3.77Å; I291-V335 HydrophobicContact CG2-CG2 3.81Å |
| 292 | Q | 92.4 | Very high | 92.1 | Very high | 72 Ų | 72 | 33.8 Ų | 33.8 | 34% | 0.336 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.9 | -40.6 | 178.1 | -165.2 | -176.9 | 16 | 0 | 0 | 112.6 | H288 L289 V290 L295 G296 | H288-Q292 WeakPolarHBondContact O-CB 3.4Å; H288-Q292 PolarHBondContact O-N 3.21Å; L289-Q292 PolarHBondContact O-N 3Å; V290-Q292 VanDerWaalsContact C-N 3.32Å; V290-Q292 PolarHBondContact O-N 2.83Å; Q292-L295 PolarHBondContact O-N 2.97Å; Q292-G296 PolarHBondContact O-N 3.43Å |
| 293 | Q | 94.2 | Very high | 92 | Very high | 48 Ų | 48 | 38.2 Ų | 38.2 | 22% | 0.224 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.6 | -42.5 | 173.8 | -68.1 | -52.8 | -68.7 | 0 | 0 | 111.5 | V252 L289 V290 I291 G296 H297 | V252-Q293 HydrophobicContact CG1-CB 4.18Å; L289-Q293 WeakPolarHBondContact O-CG 3.21Å; L289-Q293 PolarHBondContact O-N 3.42Å; V290-Q293 PolarHBondContact O-N 3.35Å; I291-Q293 PolarHBondContact O-N 3.31Å; Q293-G296 PolarHBondContact O-N 3.43Å; Q293-H297 WeakPolarHBondContact O-CB 3.45Å; Q293-H297 PolarHBondContact O-N 2.97Å |
| 294 | L | 96.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.7 | -39.2 | 176.2 | -77.2 | 166.3 | 0 | 0 | 0 | 112.7 | L256 W265 F275 V290 I291 H297 L298 V315 L316 A319 | L256-L294 HydrophobicContact CD2-CD2 4.2Å; W265-L294 HydrophobicContact CH2-CD2 4.26Å; F275-L294 HydrophobicContact CD1-CD1 3.79Å; F275-L294 HydrophobicContact CD1-CD2 4.11Å; F275-L294 HydrophobicContact CD1-CG 4.17Å; F275-L294 HydrophobicContact CD2-CD2 4.49Å; F275-L294 HydrophobicContact CE1-CD1 3.83Å; F275-L294 HydrophobicContact CE1-CD2 3.58Å; F275-L294 HydrophobicContact CE1-CG 3.68Å; F275-L294 HydrophobicContact CE2-CD2 4Å; F275-L294 HydrophobicContact CZ-CD2 3.52Å; F275-L294 HydrophobicContact CZ-CG 4.12Å; V290-L294 HydrophobicContact CG1-CD1 4.32Å; V290-L294 WeakPolarHBondContact O-CG 3.22Å; V290-L294 PolarHBondContact O-N 2.91Å; I291-L294 WeakPolarHBondContact O-CB 3.48Å; I291-L294 PolarHBondContact O-N 3.26Å; I291-L294 VanDerWaalsContact O-N 3.17Å; L294-H297 WeakPolarHBondContact O-CB 3.43Å; L294-H297 PolarHBondContact O-N 3.1Å; L294-L298 WeakPolarHBondContact O-CB 3.18Å; L294-L298 PolarHBondContact O-N 3.46Å; L294-V315 HydrophobicContact CD1-CG1 3.85Å; L294-V315 HydrophobicContact CD2-CB 4.48Å; L294-V315 HydrophobicContact CD2-CG1 3.69Å; L294-V315 HydrophobicContact CG-CG1 4.45Å; L294-L316 HydrophobicContact CB-CD2 3.42Å; L294-L316 VanDerWaalsContact CB-CD2 3.42Å; L294-L316 HydrophobicContact CB-CG 3.88Å; L294-L316 HydrophobicContact CD1-CD2 4.05Å; L294-L316 HydrophobicContact CD1-CG 4.43Å; L294-L316 HydrophobicContact CG-CD2 4.37Å; L294-A319 HydrophobicContact CD1-CB 4.1Å |
| 295 | L | 94.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64 | -47.7 | 174.4 | -68.3 | 173.8 | 0 | 0 | 0 | 111.4 | I291 Q292 H297 L298 D299 L316 E334 V335 T338 | I291-L295 HydrophobicContact CG2-CD1 4.21Å; I291-L295 HydrophobicContact CG2-CG 4.31Å; I291-L295 VanDerWaalsContact O-CG 3.32Å; I291-L295 WeakPolarHBondContact O-CG 3.41Å; I291-L295 PolarHBondContact O-N 3.4Å; Q292-L295 PolarHBondContact O-N 2.97Å; L295-H297 PolarHBondContact O-N 3.07Å; L295-L298 WeakPolarHBondContact O-CB 3.37Å; L295-L298 PolarHBondContact O-N 3.17Å; L295-D299 PolarHBondContact O-N 3.49Å; L295-L316 HydrophobicContact CD2-CD1 3.99Å; L295-L316 HydrophobicContact CD2-CD2 4.07Å; L295-L316 HydrophobicContact CG-CD2 4.24Å; L295-E334 HydrophobicContact CD1-CG 4.44Å; L295-V335 HydrophobicContact CD1-CB 4.28Å; L295-V335 HydrophobicContact CD1-CG2 3.67Å; L295-T338 HydrophobicContact CB-CG2 4.35Å; L295-T338 HydrophobicContact CD2-CG2 3.95Å |
| 296 | G | 95.4 | Very high | 92.7 | Very high | 41 Ų | 41 | 29.2 Ų | 29.2 | 42% | 0.423 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -59.7 | -37.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q292 Q293 D299 A300 | Q292-G296 PolarHBondContact O-N 3.43Å; Q293-G296 PolarHBondContact O-N 3.43Å; G296-D299 PolarHBondContact O-N 2.95Å; G296-A300 WeakPolarHBondContact O-CB 3.44Å; G296-A300 PolarHBondContact O-N 3.25Å |
| 297 | H | 96.6 | Very high | 92.9 | Very high | 23 Ų | 23 | 32.3 Ų | 32.3 | 11% | 0.106 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.5 | -42.5 | 174.8 | -159.4 | 63.5 | 0 | 0 | 0 | 112.5 | L256 D260 W265 Q293 L294 L295 D299 A300 N301 | L256-H297 HydrophobicContact CD1-CB 4.11Å; L256-H297 HydrophobicContact CD2-CB 4.23Å; D260-H297 IonicContact OD1-CE1 3.26Å; D260-H297 IonicContact OD1-NE2 3.89Å; D260-H297 PolarHBondContact OD1-NE2 3.46Å; D260-H297 IonicContact OD2-CE1 2.65Å; D260-H297 PolarHBondContact OD2-CE1 3.34Å; D260-H297 IonicContact OD2-NE2 3.15Å; D260-H297 PolarHBondContact OD2-NE2 2.89Å; W265-H297 AromaticContact CZ2-CD2 3.69Å; W265-H297 AromaticContact CZ2-NE2 3.8Å; W265-H297 AromaticContact NE1-NE2 3.94Å; Q293-H297 WeakPolarHBondContact O-CB 3.45Å; Q293-H297 PolarHBondContact O-N 2.97Å; L294-H297 WeakPolarHBondContact O-CB 3.43Å; L294-H297 PolarHBondContact O-N 3.1Å; L295-H297 PolarHBondContact O-N 3.07Å; H297-D299 VanDerWaalsContact C-N 3.29Å; H297-D299 PolarHBondContact O-N 3.45Å; H297-A300 PolarHBondContact O-N 3.03Å; H297-N301 PolarHBondContact CD2-ND2 3.27Å; H297-N301 PolarHBondContact CE1-ND2 3.25Å; H297-N301 VanDerWaalsContact CE1-ND2 3.3Å; H297-N301 PolarHBondContact NE2-ND2 3.02Å; H297-N301 VanDerWaalsContact NE2-ND2 3.18Å; H297-N301 WeakPolarHBondContact O-CB 3.26Å; H297-N301 PolarHBondContact O-N 2.92Å; H297-N301 PolarHBondContact O-ND2 2.77Å |
| 298 | L | 96.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.6 | -40.1 | 176.1 | -180 | 57.7 | 0 | 0 | 0 | 111.4 | L294 L295 N301 S302 R309 I312 V313 L316 T338 L339 Q342 | L294-L298 WeakPolarHBondContact O-CB 3.18Å; L294-L298 PolarHBondContact O-N 3.46Å; L295-L298 WeakPolarHBondContact O-CB 3.37Å; L295-L298 PolarHBondContact O-N 3.17Å; L298-N301 CarbonylContact O-C 3.56Å; L298-N301 PolarHBondContact O-N 2.62Å; L298-S302 PolarHBondContact O-N 2.68Å; L298-S302 VanDerWaalsContact O-N 3.12Å; L298-R309 HydrophobicContact CD1-CB 4.14Å; L298-R309 HydrophobicContact CD1-CG 4.3Å; L298-I312 HydrophobicContact CB-CG2 3.85Å; L298-I312 HydrophobicContact CD1-CB 4.21Å; L298-I312 HydrophobicContact CD1-CG2 4.24Å; L298-V313 HydrophobicContact CD1-CG2 4.09Å; L298-V313 HydrophobicContact CD2-CG2 3.85Å; L298-L316 HydrophobicContact CD2-CD1 3.85Å; L298-T338 HydrophobicContact CD2-CG2 4.45Å; L298-L339 HydrophobicContact CD2-CD2 4.22Å; L298-Q342 HydrophobicContact CD1-CG 4.4Å; L298-Q342 HydrophobicContact CD2-CG 3.84Å; L298-Q342 HydrophobicContact CG-CG 3.86Å; L298-Q342 PolarHBondContact O-NE2 3.43Å |
| 299 | D | 94.9 | Very high | 93.5 | Very high | 41 Ų | 41 | 31.7 Ų | 31.7 | 22% | 0.219 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.3 | -43.5 | 176.2 | -71.9 | -38.3 | 0 | 0 | 0 | 113.2 | L295 G296 H297 N301 S302 T338 R341 Q342 | L295-D299 PolarHBondContact O-N 3.49Å; G296-D299 PolarHBondContact O-N 2.95Å; H297-D299 VanDerWaalsContact C-N 3.29Å; H297-D299 PolarHBondContact O-N 3.45Å; D299-N301 PolarHBondContact O-N 3.3Å; D299-S302 WeakPolarHBondContact O-CB 3.45Å; D299-S302 PolarHBondContact O-N 2.93Å; D299-S302 PolarHBondContact O-OG 2.95Å; D299-T338 WeakPolarHBondContact OD1-CG2 3.35Å; D299-R341 IonicContact OD1-CZ 2.68Å; D299-R341 IonicContact OD1-NE 3.06Å; D299-R341 PolarHBondContact OD1-NE 3.23Å; D299-R341 IonicContact OD1-NH2 2.64Å; D299-R341 PolarHBondContact OD1-NH2 3.34Å; D299-R341 IonicContact OD2-CZ 2.77Å; D299-R341 IonicContact OD2-NH2 2.68Å; D299-R341 PolarHBondContact OD2-NH2 3.2Å; D299-Q342 PolarHBondContact OD1-NE2 3.26Å; D299-Q342 VanDerWaalsContact OD1-NE2 3.11Å |
| 300 | A | 94.4 | Very high | 93.7 | Very high | 81 Ų | 81 | 31.2 Ų | 31.2 | 67% | 0.669 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -59.4 | -31.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | G296 H297 | G296-A300 WeakPolarHBondContact O-CB 3.44Å; G296-A300 PolarHBondContact O-N 3.25Å; H297-A300 PolarHBondContact O-N 3.03Å |
| 301 | N | 92.8 | Very high | 93.8 | Very high | 12 Ų | 12 | 31.2 Ų | 31.2 | 6% | 0.064 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 15.5 | 177.3 | -74.5 | -88 | 0 | 0 | 0 | 113.8 | H297 L298 D299 K303 N304 R309 I312 | H297-N301 PolarHBondContact CD2-ND2 3.27Å; H297-N301 PolarHBondContact CE1-ND2 3.25Å; H297-N301 VanDerWaalsContact CE1-ND2 3.3Å; H297-N301 PolarHBondContact NE2-ND2 3.02Å; H297-N301 VanDerWaalsContact NE2-ND2 3.18Å; H297-N301 WeakPolarHBondContact O-CB 3.26Å; H297-N301 PolarHBondContact O-N 2.92Å; H297-N301 PolarHBondContact O-ND2 2.77Å; L298-N301 CarbonylContact O-C 3.56Å; L298-N301 PolarHBondContact O-N 2.62Å; D299-N301 PolarHBondContact O-N 3.3Å; N301-K303 PolarHBondContact O-N 3.25Å; N301-K303 VanDerWaalsContact O-N 3.11Å; N301-N304 HydrophobicContact CB-CB 4.29Å; N301-N304 WeakPolarHBondContact O-CB 3.46Å; N301-N304 PolarHBondContact O-N 3.07Å; N301-N304 PolarHBondContact OD1-ND2 3.41Å; N301-R309 WeakPolarHBondContact O-CD 3.4Å; N301-R309 WeakPolarHBondContact O-CG 3.31Å; N301-I312 HydrophobicContact CB-CD1 3.86Å |
| 302 | S | 91.8 | Very high | 94 | Very high | 27 Ų | 27 | 31.1 Ų | 31.1 | 19% | 0.189 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -31.5 | -178.9 | 49.1 | 0 | 0 | 0 | 0 | 113.8 | L298 D299 R309 Y349 | L298-S302 PolarHBondContact O-N 2.68Å; L298-S302 VanDerWaalsContact O-N 3.12Å; D299-S302 WeakPolarHBondContact O-CB 3.45Å; D299-S302 PolarHBondContact O-N 2.93Å; D299-S302 PolarHBondContact O-OG 2.95Å; S302-R309 WeakPolarHBondContact O-CD 3.48Å; S302-R309 PolarHBondContact O-NE 3.36Å; S302-Y349 VanDerWaalsContact O-CE2 3.29Å; S302-Y349 WeakPolarHBondContact O-CE2 3.23Å; S302-Y349 PolarHBondContact O-OH 3.34Å |
| 303 | K | 89.5 | Confident | 94.2 | Very high | 106 Ų | 106 | 27.8 Ų | 27.8 | 46% | 0.461 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 1.4 | 178.4 | -60.8 | -172.6 | 175.6 | -163.9 | 0 | 114.8 | N301 D356 | N301-K303 PolarHBondContact O-N 3.25Å; N301-K303 VanDerWaalsContact O-N 3.11Å; K303-D356 IonicContact NZ-OD1 3.08Å; K303-D356 PolarHBondContact NZ-OD1 3.06Å |
| 304 | N | 90.6 | Very high | 94.3 | Very high | 59 Ų | 59 | 27.2 Ų | 27.2 | 32% | 0.316 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -82 | 170.7 | 177.3 | -77.5 | 12.5 | 0 | 0 | 0 | 111.1 | N301 V308 R309 | N301-N304 HydrophobicContact CB-CB 4.29Å; N301-N304 WeakPolarHBondContact O-CB 3.46Å; N301-N304 PolarHBondContact O-N 3.07Å; N301-N304 PolarHBondContact OD1-ND2 3.41Å; N304-V308 HydrophobicContact CB-CB 4.35Å; N304-V308 HydrophobicContact CB-CG1 4.26Å; N304-R309 PolarHBondContact O-NE 2.93Å; N304-R309 VanDerWaalsContact O-NE 3.14Å |
| 305 | S | 91 | Very high | 94.3 | Very high | 33 Ų | 33 | 27.2 Ų | 27.2 | 23% | 0.231 | 16% | 0.162 | C | C | . | . | trans | -55.4 | 146.8 | -178.3 | 70.2 | 0 | 0 | 0 | 0 | 111.6 | K307 V308 R309 | S305-K307 PolarHBondContact O-N 3.45Å; S305-K307 VanDerWaalsContact O-N 3.1Å; S305-V308 PolarHBondContact O-N 3.45Å; S305-V308 WeakPolarHBondContact OG-CG2 3.41Å; S305-V308 PolarHBondContact OG-N 3.13Å; S305-R309 PolarHBondContact O-N 3.07Å; S305-R309 VanDerWaalsContact O-N 3.1Å | ||
| 306 | A | 92.4 | Very high | 94.3 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 2% | 0.017 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -52.1 | -33.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R309 A310 E370 E371 L374 | A306-R309 PolarHBondContact O-N 3.19Å; A306-A310 WeakPolarHBondContact O-CB 3.49Å; A306-A310 PolarHBondContact O-N 2.96Å; A306-E370 HydrophobicContact CB-CB 3.9Å; A306-E370 WeakPolarHBondContact CB-O 3.47Å; A306-E371 HydrophobicContact CB-CG 4.46Å; A306-L374 HydrophobicContact CB-CB 4.32Å; A306-L374 HydrophobicContact CB-CD2 4.38Å |
| 307 | K | 92.6 | Very high | 94.1 | Very high | 82 Ų | 82 | 26.4 Ų | 26.4 | 36% | 0.357 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -63.2 | -44.9 | 175.9 | -69.1 | -174.2 | 176.8 | -178.2 | 0 | 113.4 | E266 S305 A310 G311 E370 | E266-K307 HydrophobicContact CG-CB 4.05Å; S305-K307 PolarHBondContact O-N 3.45Å; S305-K307 VanDerWaalsContact O-N 3.1Å; K307-A310 PolarHBondContact O-N 2.92Å; K307-G311 PolarHBondContact O-N 3.37Å; K307-E370 WeakPolarHBondContact CE-OE1 3.38Å; K307-E370 IonicContact NZ-OE1 3.01Å |
| 308 | V | 94.3 | Very high | 94 | Very high | 19 Ų | 19 | 28 Ų | 28 | 12% | 0.115 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.6 | -48.7 | 177.3 | 170.3 | 0 | 0 | 0 | 0 | 109.7 | W265 E266 N304 S305 A310 G311 I312 | W265-V308 HydrophobicContact CB-CB 4.33Å; W265-V308 HydrophobicContact CB-CG1 4.01Å; W265-V308 HydrophobicContact CB-CG2 4.35Å; W265-V308 HydrophobicContact CG-CG1 4.16Å; E266-V308 HydrophobicContact CG-CG2 4.24Å; N304-V308 HydrophobicContact CB-CB 4.35Å; N304-V308 HydrophobicContact CB-CG1 4.26Å; S305-V308 PolarHBondContact O-N 3.45Å; S305-V308 WeakPolarHBondContact OG-CG2 3.41Å; S305-V308 PolarHBondContact OG-N 3.13Å; V308-A310 VanDerWaalsContact C-N 3.3Å; V308-A310 PolarHBondContact O-N 3.41Å; V308-G311 PolarHBondContact O-N 3.18Å; V308-G311 VanDerWaalsContact O-N 3.07Å; V308-I312 HydrophobicContact CG1-CD1 4.24Å; V308-I312 WeakPolarHBondContact O-CG1 2.87Å; V308-I312 PolarHBondContact O-N 2.95Å |
| 309 | R | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.2 | -42.3 | 176.5 | -68.9 | -173 | -72.9 | 142.7 | 6.8 | 111.8 | L298 N301 S302 N304 S305 A306 G311 I312 V313 E371 L374 | L298-R309 HydrophobicContact CD1-CB 4.14Å; L298-R309 HydrophobicContact CD1-CG 4.3Å; N301-R309 WeakPolarHBondContact O-CD 3.4Å; N301-R309 WeakPolarHBondContact O-CG 3.31Å; S302-R309 WeakPolarHBondContact O-CD 3.48Å; S302-R309 PolarHBondContact O-NE 3.36Å; N304-R309 PolarHBondContact O-NE 2.93Å; N304-R309 VanDerWaalsContact O-NE 3.14Å; S305-R309 PolarHBondContact O-N 3.07Å; S305-R309 VanDerWaalsContact O-N 3.1Å; A306-R309 PolarHBondContact O-N 3.19Å; R309-G311 VanDerWaalsContact C-N 3.31Å; R309-G311 PolarHBondContact O-N 3.21Å; R309-I312 PolarHBondContact O-N 3.29Å; R309-V313 VanDerWaalsContact O-CG2 3.29Å; R309-V313 WeakPolarHBondContact O-CG2 3.37Å; R309-V313 PolarHBondContact O-N 3.05Å; R309-E371 IonicContact CZ-OE1 3.92Å; R309-E371 IonicContact CZ-OE2 3.96Å; R309-E371 IonicContact NH1-OE2 3.24Å; R309-E371 IonicContact NH2-OE1 2.7Å; R309-E371 PolarHBondContact NH2-OE1 3.1Å; R309-E371 IonicContact NH2-OE2 4Å; R309-E371 PolarHBondContact NH2-OE2 3.36Å; R309-L374 HydrophobicContact CB-CD1 3.93Å; R309-L374 HydrophobicContact CB-CD2 3.88Å |
| 310 | A | 95.2 | Very high | 93.3 | Very high | 6 Ų | 6 | 26.3 Ų | 26.3 | 5% | 0.05 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67 | -31.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A306 K307 V308 E314 L374 | A306-A310 WeakPolarHBondContact O-CB 3.49Å; A306-A310 PolarHBondContact O-N 2.96Å; K307-A310 PolarHBondContact O-N 2.92Å; V308-A310 VanDerWaalsContact C-N 3.3Å; V308-A310 PolarHBondContact O-N 3.41Å; A310-E314 WeakPolarHBondContact O-CB 3.33Å; A310-E314 PolarHBondContact O-N 2.95Å; A310-L374 HydrophobicContact CB-CD1 3.96Å |
| 311 | G | 95.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65 | -43.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | W265 K307 V308 R309 E314 V315 | W265-G311 WeakPolarHBondContact O-CA 3.3Å; K307-G311 PolarHBondContact O-N 3.37Å; V308-G311 PolarHBondContact O-N 3.18Å; V308-G311 VanDerWaalsContact O-N 3.07Å; R309-G311 VanDerWaalsContact C-N 3.31Å; R309-G311 PolarHBondContact O-N 3.21Å; G311-E314 PolarHBondContact O-N 3.26Å; G311-V315 WeakPolarHBondContact O-CG2 3.28Å; G311-V315 PolarHBondContact O-N 3.21Å; G311-V315 VanDerWaalsContact O-N 3.11Å |
| 312 | I | 97.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.2 | -42.8 | 176.1 | -58.4 | 164.6 | 0 | 0 | 0 | 110.7 | W265 L298 N301 V308 R309 E314 V315 L316 | W265-I312 HydrophobicContact CD2-CG1 3.71Å; W265-I312 HydrophobicContact CE3-CB 4.27Å; W265-I312 HydrophobicContact CE3-CG1 3.55Å; W265-I312 HydrophobicContact CG-CG1 4.39Å; W265-I312 HydrophobicContact CH2-CG1 3.95Å; W265-I312 HydrophobicContact CZ2-CG1 4.1Å; W265-I312 HydrophobicContact CZ3-CB 4.13Å; W265-I312 HydrophobicContact CZ3-CG1 3.67Å; L298-I312 HydrophobicContact CB-CG2 3.85Å; L298-I312 HydrophobicContact CD1-CB 4.21Å; L298-I312 HydrophobicContact CD1-CG2 4.24Å; N301-I312 HydrophobicContact CB-CD1 3.86Å; V308-I312 HydrophobicContact CG1-CD1 4.24Å; V308-I312 WeakPolarHBondContact O-CG1 2.87Å; V308-I312 PolarHBondContact O-N 2.95Å; R309-I312 PolarHBondContact O-N 3.29Å; I312-E314 VanDerWaalsContact C-N 3.31Å; I312-E314 PolarHBondContact O-N 2.71Å; I312-V315 PolarHBondContact O-N 3.03Å; I312-L316 HydrophobicContact CG2-CD1 4.4Å; I312-L316 PolarHBondContact O-N 3.32Å |
| 313 | V | 96.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.3 | -36.5 | 176.5 | 171.4 | 0 | 0 | 0 | 0 | 112 | L298 R309 L316 L317 L374 A377 V378 T381 | L298-V313 HydrophobicContact CD1-CG2 4.09Å; L298-V313 HydrophobicContact CD2-CG2 3.85Å; R309-V313 VanDerWaalsContact O-CG2 3.29Å; R309-V313 WeakPolarHBondContact O-CG2 3.37Å; R309-V313 PolarHBondContact O-N 3.05Å; V313-L316 WeakPolarHBondContact O-CB 3.4Å; V313-L316 PolarHBondContact O-N 3.22Å; V313-L317 PolarHBondContact O-N 3.22Å; V313-L374 HydrophobicContact CG2-CD1 4.18Å; V313-A377 HydrophobicContact CG1-CB 4.23Å; V313-V378 HydrophobicContact CG1-CG2 3.99Å; V313-V378 HydrophobicContact CG2-CG2 3.79Å; V313-T381 VanDerWaalsContact CG1-OG1 3.29Å; V313-T381 WeakPolarHBondContact CG1-OG1 3.3Å |
| 314 | E | 96 | Very high | 91.5 | Very high | 36 Ų | 36 | 21.3 Ų | 21.3 | 17% | 0.168 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.1 | -41.1 | 174.9 | -163.8 | 69.2 | 179.2 | 0 | 0 | 111.9 | K268 V272 A310 G311 I312 L316 L317 E318 R380 | K268-E314 HydrophobicContact CD-CB 4.13Å; K268-E314 HydrophobicContact CD-CG 4.23Å; V272-E314 HydrophobicContact CG2-CG 4.15Å; A310-E314 WeakPolarHBondContact O-CB 3.33Å; A310-E314 PolarHBondContact O-N 2.95Å; G311-E314 PolarHBondContact O-N 3.26Å; I312-E314 VanDerWaalsContact C-N 3.31Å; I312-E314 PolarHBondContact O-N 2.71Å; E314-L316 VanDerWaalsContact C-N 3.33Å; E314-L317 WeakPolarHBondContact O-CB 3.44Å; E314-L317 PolarHBondContact O-N 3.3Å; E314-E318 PolarHBondContact O-N 3.09Å; E314-E318 VanDerWaalsContact O-N 3.12Å; E314-R380 IonicContact OE1-NH2 2.78Å; E314-R380 PolarHBondContact OE1-NH2 3.18Å; E314-R380 IonicContact OE2-CZ 2.79Å; E314-R380 IonicContact OE2-NH2 3.22Å; E314-R380 PolarHBondContact OE2-NH2 3.1Å |
| 315 | V | 96.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.7 | -40.3 | 174.7 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | W265 A271 V272 F275 L294 G311 I312 L317 E318 A319 | W265-V315 HydrophobicContact CE3-CG2 4.45Å; W265-V315 HydrophobicContact CZ3-CB 4.16Å; W265-V315 HydrophobicContact CZ3-CG2 3.78Å; A271-V315 HydrophobicContact CB-CG2 3.79Å; V272-V315 HydrophobicContact CG2-CG2 3.88Å; F275-V315 HydrophobicContact CB-CG1 3.5Å; F275-V315 VanDerWaalsContact CB-CG1 3.5Å; F275-V315 HydrophobicContact CD1-CG1 3.96Å; F275-V315 HydrophobicContact CD2-CG1 3.48Å; F275-V315 VanDerWaalsContact CD2-CG1 3.48Å; F275-V315 HydrophobicContact CE2-CG1 4.18Å; F275-V315 HydrophobicContact CG-CG1 3.34Å; L294-V315 HydrophobicContact CD1-CG1 3.85Å; L294-V315 HydrophobicContact CD2-CB 4.48Å; L294-V315 HydrophobicContact CD2-CG1 3.69Å; L294-V315 HydrophobicContact CG-CG1 4.45Å; G311-V315 WeakPolarHBondContact O-CG2 3.28Å; G311-V315 PolarHBondContact O-N 3.21Å; G311-V315 VanDerWaalsContact O-N 3.11Å; I312-V315 PolarHBondContact O-N 3.03Å; V315-L317 VanDerWaalsContact C-N 3.34Å; V315-L317 PolarHBondContact O-N 3.34Å; V315-E318 PolarHBondContact O-N 2.65Å; V315-A319 WeakPolarHBondContact O-CB 3.3Å; V315-A319 PolarHBondContact O-N 3.44Å |
| 316 | L | 94.4 | Very high | 89.1 | Confident | 7 Ų | 7 | 23.8 Ų | 23.8 | 4% | 0.037 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.3 | -42.1 | 173.6 | -82 | 166.4 | 0 | 0 | 0 | 112.2 | I291 L294 L295 L298 I312 V313 E314 A319 A320 | I291-L316 HydrophobicContact CG2-CD2 4.17Å; L294-L316 HydrophobicContact CB-CD2 3.42Å; L294-L316 VanDerWaalsContact CB-CD2 3.42Å; L294-L316 HydrophobicContact CB-CG 3.88Å; L294-L316 HydrophobicContact CD1-CD2 4.05Å; L294-L316 HydrophobicContact CD1-CG 4.43Å; L294-L316 HydrophobicContact CG-CD2 4.37Å; L295-L316 HydrophobicContact CD2-CD1 3.99Å; L295-L316 HydrophobicContact CD2-CD2 4.07Å; L295-L316 HydrophobicContact CG-CD2 4.24Å; L298-L316 HydrophobicContact CD2-CD1 3.85Å; I312-L316 HydrophobicContact CG2-CD1 4.4Å; I312-L316 PolarHBondContact O-N 3.32Å; V313-L316 WeakPolarHBondContact O-CB 3.4Å; V313-L316 PolarHBondContact O-N 3.22Å; E314-L316 VanDerWaalsContact C-N 3.33Å; L316-A319 PolarHBondContact O-N 3.23Å; L316-A320 WeakPolarHBondContact O-CB 3.37Å; L316-A320 PolarHBondContact O-N 3.08Å |
| 317 | L | 92.7 | Very high | 87.6 | Confident | 17 Ų | 17 | 26.8 Ų | 26.8 | 9% | 0.089 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.8 | -51.5 | 176.4 | 172.9 | 64.9 | 0 | 0 | 0 | 111.4 | V313 E314 V315 A320 A321 T381 S384 | V313-L317 PolarHBondContact O-N 3.22Å; E314-L317 WeakPolarHBondContact O-CB 3.44Å; E314-L317 PolarHBondContact O-N 3.3Å; V315-L317 VanDerWaalsContact C-N 3.34Å; V315-L317 PolarHBondContact O-N 3.34Å; L317-A320 PolarHBondContact O-N 3.39Å; L317-A321 PolarHBondContact O-N 3.3Å; L317-A321 VanDerWaalsContact O-N 3.09Å; L317-T381 HydrophobicContact CB-CG2 4.15Å; L317-S384 WeakPolarHBondContact CD1-OG 3.38Å |
| 318 | E | 92.9 | Very high | 86.1 | Confident | 58 Ų | 58 | 23.4 Ų | 23.4 | 27% | 0.271 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -68.9 | -39.5 | -179.1 | -67.5 | -72.2 | 151.2 | 0 | 0 | 112.2 | V272 K276 E314 V315 A321 I322 | V272-E318 HydrophobicContact CG1-CB 4.29Å; V272-E318 HydrophobicContact CG1-CG 3.88Å; V272-E318 HydrophobicContact CG2-CG 4.36Å; K276-E318 WeakPolarHBondContact CE-OE2 3.38Å; K276-E318 IonicContact NZ-OE2 3.8Å; K276-E318 PolarHBondContact NZ-OE2 2.97Å; E314-E318 PolarHBondContact O-N 3.09Å; E314-E318 VanDerWaalsContact O-N 3.12Å; V315-E318 PolarHBondContact O-N 2.65Å; E318-A321 PolarHBondContact O-N 2.94Å; E318-I322 WeakPolarHBondContact O-CG1 3.49Å; E318-I322 PolarHBondContact O-N 3.04Å |
| 319 | A | 91.1 | Very high | 84.9 | Confident | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.008 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.5 | -42 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | M279 L294 V315 L316 I322 A323 | M279-A319 HydrophobicContact CE-CB 4.37Å; M279-A319 WeakPolarHBondContact CE-O 3.44Å; M279-A319 HydrophobicContact CG-CB 3.97Å; M279-A319 HydrophobicContact SD-CB 4.23Å; L294-A319 HydrophobicContact CD1-CB 4.1Å; V315-A319 WeakPolarHBondContact O-CB 3.3Å; V315-A319 PolarHBondContact O-N 3.44Å; L316-A319 PolarHBondContact O-N 3.23Å; A319-I322 PolarHBondContact O-N 3.31Å; A319-A323 WeakPolarHBondContact O-CB 3.45Å; A319-A323 PolarHBondContact O-N 3.47Å |
| 320 | A | 85.5 | Confident | 83.8 | Confident | 4 Ų | 4 | 29 Ų | 29 | 3% | 0.033 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.4 | -41.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L316 L317 I322 A323 A324 F385 | L316-A320 WeakPolarHBondContact O-CB 3.37Å; L316-A320 PolarHBondContact O-N 3.08Å; L317-A320 PolarHBondContact O-N 3.39Å; A320-I322 VanDerWaalsContact C-N 3.26Å; A320-I322 PolarHBondContact O-N 3.46Å; A320-A323 PolarHBondContact O-N 2.86Å; A320-A323 VanDerWaalsContact O-N 3.16Å; A320-A324 PolarHBondContact O-N 2.86Å; A320-F385 HydrophobicContact CB-CD2 3.54Å; A320-F385 HydrophobicContact CB-CE2 4Å |
| 321 | A | 87.3 | Confident | 83.1 | Confident | 50 Ų | 50 | 28.9 Ų | 28.9 | 41% | 0.413 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.1 | -36.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L317 E318 A324 | L317-A321 PolarHBondContact O-N 3.3Å; L317-A321 VanDerWaalsContact O-N 3.09Å; E318-A321 PolarHBondContact O-N 2.94Å; A321-A324 WeakPolarHBondContact O-CB 3.38Å |
| 322 | I | 88.4 | Confident | 82.6 | Confident | 27 Ų | 27 | 29.2 Ų | 29.2 | 14% | 0.138 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -75 | -38.8 | 175.3 | -61.8 | 166.1 | 0 | 0 | 0 | 111.1 | K276 M279 Y280 E318 A319 A320 A324 S325 | K276-I322 HydrophobicContact CG-CD1 3.98Å; M279-I322 HydrophobicContact CB-CB 4.21Å; M279-I322 HydrophobicContact CB-CD1 3.99Å; M279-I322 HydrophobicContact CB-CG2 3.84Å; Y280-I322 HydrophobicContact CD1-CG2 4.06Å; Y280-I322 HydrophobicContact CD2-CD1 4.34Å; Y280-I322 HydrophobicContact CE1-CD1 4.33Å; Y280-I322 HydrophobicContact CE1-CG1 4.23Å; Y280-I322 HydrophobicContact CE1-CG2 3.86Å; Y280-I322 HydrophobicContact CE2-CD1 3.78Å; Y280-I322 HydrophobicContact CE2-CG1 4.44Å; E318-I322 WeakPolarHBondContact O-CG1 3.49Å; E318-I322 PolarHBondContact O-N 3.04Å; A319-I322 PolarHBondContact O-N 3.31Å; A320-I322 VanDerWaalsContact C-N 3.26Å; A320-I322 PolarHBondContact O-N 3.46Å; I322-A324 PolarHBondContact O-N 3.22Å; I322-S325 PolarHBondContact O-OG 2.85Å |
| 323 | A | 83.5 | Confident | 82.2 | Confident | 4 Ų | 4 | 33 Ų | 33 | 3% | 0.033 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -71.8 | -17.3 | 180 | 0 | 0 | 0 | 0 | 0 | 113.7 | M279 I291 A319 A320 S325 G326 V328 | M279-A323 HydrophobicContact CE-CB 3.8Å; I291-A323 HydrophobicContact CD1-CB 3.77Å; A319-A323 WeakPolarHBondContact O-CB 3.45Å; A319-A323 PolarHBondContact O-N 3.47Å; A320-A323 PolarHBondContact O-N 2.86Å; A320-A323 VanDerWaalsContact O-N 3.16Å; A323-S325 PolarHBondContact O-N 3.15Å; A323-G326 WeakPolarHBondContact O-CA 3.46Å; A323-G326 PolarHBondContact O-N 2.68Å; A323-V328 HydrophobicContact CB-CG2 3.78Å; A323-V328 VanDerWaalsContact O-CG2 3.23Å; A323-V328 WeakPolarHBondContact O-CG2 3.29Å |
| 324 | A | 72.8 | Confident | 81.8 | Confident | 41 Ų | 41 | 37 Ų | 37 | 34% | 0.339 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | -27 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | A320 A321 I322 G326 T388 | A320-A324 PolarHBondContact O-N 2.86Å; A321-A324 WeakPolarHBondContact O-CB 3.38Å; I322-A324 PolarHBondContact O-N 3.22Å; A324-G326 VanDerWaalsContact C-N 3.25Å; A324-G326 PolarHBondContact O-N 2.64Å; A324-T388 HydrophobicContact CB-CG2 3.45Å; A324-T388 VanDerWaalsContact CB-CG2 3.45Å |
| 325 | S | 64.9 | Low | 81.6 | Confident | 114 Ų | 114 | 35.5 Ų | 35.5 | 80% | 0.797 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82 | 5.5 | 175.3 | 63.1 | 0 | 0 | 0 | 0 | 114.2 | I322 A323 | I322-S325 PolarHBondContact O-OG 2.85Å; A323-S325 PolarHBondContact O-N 3.15Å |
| 326 | G | 65.3 | Low | 81.5 | Confident | 29 Ų | 29 | 35.4 Ų | 35.4 | 30% | 0.299 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -138 | -166.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | A323 A324 V328 | A323-G326 WeakPolarHBondContact O-CA 3.46Å; A323-G326 PolarHBondContact O-N 2.68Å; A324-G326 VanDerWaalsContact C-N 3.25Å; A324-G326 PolarHBondContact O-N 2.64Å; G326-V328 PolarHBondContact O-N 3.16Å |
| 327 | S | 61.3 | Low | 81.5 | Confident | 66 Ų | 66 | 37.9 Ų | 37.9 | 46% | 0.462 | 25% | 0.247 | S | C | . | . | trans | -79.9 | 77.8 | -173.3 | -169.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 328 | V | 62.4 | Low | 81.6 | Confident | 10 Ų | 10 | 37.2 Ų | 37.2 | 6% | 0.061 | 24% | 0.244 | C | C | . | . | trans | -85.3 | -13.6 | 175.1 | -175.3 | 0 | 0 | 0 | 0 | 112.3 | A323 G326 P330 T331 V332 F385 | A323-V328 HydrophobicContact CB-CG2 3.78Å; A323-V328 VanDerWaalsContact O-CG2 3.23Å; A323-V328 WeakPolarHBondContact O-CG2 3.29Å; G326-V328 PolarHBondContact O-N 3.16Å; V328-P330 VanDerWaalsContact C-CD 3.5Å; V328-T331 PolarHBondContact O-N 3.06Å; V328-T331 PolarHBondContact O-OG1 3.48Å; V328-V332 HydrophobicContact CG1-CG2 4.37Å; V328-V332 WeakPolarHBondContact O-CG2 3.35Å; V328-F385 HydrophobicContact CG1-CE1 4.07Å; V328-F385 HydrophobicContact CG1-CE2 3.78Å; V328-F385 HydrophobicContact CG1-CZ 3.23Å | ||
| 329 | G | 67.6 | Low | 81.7 | Confident | 38 Ų | 38 | 34.5 Ų | 34.5 | 39% | 0.392 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -46.3 | -46.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | T331 V332 | G329-T331 VanDerWaalsContact C-N 3.3Å; G329-T331 PolarHBondContact O-N 3.19Å; G329-V332 WeakPolarHBondContact O-CG2 3.41Å |
| 330 | P | 72.9 | Confident | 82 | Confident | 98 Ų | 98 | 34.6 Ų | 34.6 | 64% | 0.636 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -65.6 | -25.4 | -175.1 | -24.5 | 35 | 0 | 0 | 0 | 115.4 | V328 | V328-P330 VanDerWaalsContact C-CD 3.5Š|
| 331 | T | 79.8 | Confident | 82.4 | Confident | 5 Ų | 5 | 39.3 Ų | 39.3 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -107.2 | 0.4 | -172.7 | 54.9 | 0 | 0 | 0 | 0 | 113.7 | H288 V328 G329 L333 E334 V335 | H288-T331 HydrophobicContact CB-CG2 4.1Å; V328-T331 PolarHBondContact O-N 3.06Å; V328-T331 PolarHBondContact O-OG1 3.48Å; G329-T331 VanDerWaalsContact C-N 3.3Å; G329-T331 PolarHBondContact O-N 3.19Å; T331-L333 PolarHBondContact O-N 2.91Å; T331-E334 WeakPolarHBondContact O-CB 3.47Å; T331-E334 PolarHBondContact O-N 3.12Å; T331-E334 VanDerWaalsContact O-N 3.11Å; T331-V335 VanDerWaalsContact O-CG2 3.32Å; T331-V335 WeakPolarHBondContact O-CG2 3.45Å; T331-V335 PolarHBondContact O-N 2.82Å |
| 332 | V | 86.4 | Confident | 82.8 | Confident | 7 Ų | 7 | 37 Ų | 37 | 4% | 0.042 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -50.7 | -58.5 | -174 | 173.9 | 0 | 0 | 0 | 0 | 112.1 | V328 G329 E334 V335 F336 F385 L389 V397 | V328-V332 HydrophobicContact CG1-CG2 4.37Å; V328-V332 WeakPolarHBondContact O-CG2 3.35Å; G329-V332 WeakPolarHBondContact O-CG2 3.41Å; V332-E334 VanDerWaalsContact C-N 3.3Å; V332-E334 PolarHBondContact O-N 3.36Å; V332-V335 WeakPolarHBondContact O-CB 3.29Å; V332-V335 PolarHBondContact O-N 3.49Å; V332-F336 HydrophobicContact CG1-CD2 4.08Å; V332-F336 HydrophobicContact CG1-CE2 3.8Å; V332-F336 WeakPolarHBondContact O-CD2 3.1Å; V332-F336 PolarHBondContact O-N 3.42Å; V332-F385 HydrophobicContact CB-CE1 4.39Å; V332-F385 HydrophobicContact CG1-CE1 4.23Å; V332-F385 HydrophobicContact CG2-CE1 4.23Å; V332-L389 HydrophobicContact CG1-CD1 3.67Å; V332-L389 HydrophobicContact CG1-CD2 4.33Å; V332-L389 HydrophobicContact CG2-CD2 3.86Å; V332-V397 HydrophobicContact CG1-CG2 3.99Å |
| 333 | L | 88.5 | Confident | 83.1 | Confident | 80 Ų | 80 | 35.8 Ų | 35.8 | 42% | 0.419 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -68.1 | -30.3 | -177.8 | -67.6 | 179.3 | 0 | 0 | 0 | 112.9 | T331 N337 F400 | T331-L333 PolarHBondContact O-N 2.91Å; L333-N337 WeakPolarHBondContact O-CB 3.39Å; L333-N337 PolarHBondContact O-N 2.93Å; L333-F400 HydrophobicContact CD2-CB 4.17Å; L333-F400 HydrophobicContact CD2-CD1 4.44Å; L333-F400 HydrophobicContact CD2-CD2 4.3Å; L333-F400 HydrophobicContact CD2-CG 4.06Å |
| 334 | E | 88.6 | Confident | 83.6 | Confident | 84 Ų | 84 | 38.8 Ų | 38.8 | 39% | 0.393 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66 | -43.8 | 176.2 | -170.7 | 178.9 | -173.2 | 0 | 0 | 110.9 | L295 T331 V332 F336 N337 T338 | L295-E334 HydrophobicContact CD1-CG 4.44Å; T331-E334 WeakPolarHBondContact O-CB 3.47Å; T331-E334 PolarHBondContact O-N 3.12Å; T331-E334 VanDerWaalsContact O-N 3.11Å; V332-E334 VanDerWaalsContact C-N 3.3Å; V332-E334 PolarHBondContact O-N 3.36Å; E334-F336 PolarHBondContact O-N 3.3Å; E334-N337 PolarHBondContact O-N 3.44Å; E334-T338 WeakPolarHBondContact O-CB 3.4Å; E334-T338 PolarHBondContact O-N 2.92Å; E334-T338 PolarHBondContact O-OG1 3.47Å |
| 335 | V | 91.3 | Very high | 84.6 | Confident | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.024 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -54.7 | -55.1 | 173.9 | 173.3 | 0 | 0 | 0 | 0 | 110.1 | I291 L295 T331 V332 N337 T338 L339 F385 | I291-V335 HydrophobicContact CG2-CG2 3.81Å; L295-V335 HydrophobicContact CD1-CB 4.28Å; L295-V335 HydrophobicContact CD1-CG2 3.67Å; T331-V335 VanDerWaalsContact O-CG2 3.32Å; T331-V335 WeakPolarHBondContact O-CG2 3.45Å; T331-V335 PolarHBondContact O-N 2.82Å; V332-V335 WeakPolarHBondContact O-CB 3.29Å; V332-V335 PolarHBondContact O-N 3.49Å; V335-N337 PolarHBondContact O-N 3.5Å; V335-T338 PolarHBondContact O-N 3.36Å; V335-L339 HydrophobicContact CG1-CD1 3.8Å; V335-L339 HydrophobicContact CG1-CG 4.39Å; V335-L339 WeakPolarHBondContact O-CB 3.39Å; V335-L339 VanDerWaalsContact O-CG 3.28Å; V335-L339 WeakPolarHBondContact O-CG 3.4Å; V335-L339 PolarHBondContact O-N 2.92Å; V335-F385 HydrophobicContact CB-CE1 4.38Å; V335-F385 HydrophobicContact CB-CE2 4.26Å; V335-F385 HydrophobicContact CB-CZ 4.04Å; V335-F385 HydrophobicContact CG1-CD1 4.44Å; V335-F385 HydrophobicContact CG1-CD2 3.92Å; V335-F385 HydrophobicContact CG1-CE1 4.37Å; V335-F385 HydrophobicContact CG1-CE2 3.88Å; V335-F385 HydrophobicContact CG1-CG 4.2Å; V335-F385 HydrophobicContact CG1-CZ 4.08Å; V335-F385 HydrophobicContact CG2-CE2 3.85Å; V335-F385 HydrophobicContact CG2-CZ 3.72Å |
| 336 | F | 93.8 | Very high | 86 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.9 | -43.1 | -179.9 | -70.3 | -73.2 | 0 | 0 | 0 | 111.8 | V332 E334 T338 L339 L340 I382 F385 A386 L389 V397 F400 V438 | V332-F336 HydrophobicContact CG1-CD2 4.08Å; V332-F336 HydrophobicContact CG1-CE2 3.8Å; V332-F336 WeakPolarHBondContact O-CD2 3.1Å; V332-F336 PolarHBondContact O-N 3.42Å; E334-F336 PolarHBondContact O-N 3.3Å; F336-T338 VanDerWaalsContact C-N 3.34Å; F336-T338 PolarHBondContact O-N 3.38Å; F336-L339 PolarHBondContact O-N 3.41Å; F336-L340 WeakPolarHBondContact O-CB 3.44Å; F336-L340 WeakPolarHBondContact O-CG 3.33Å; F336-L340 PolarHBondContact O-N 2.95Å; F336-I382 HydrophobicContact CD1-CB 4.46Å; F336-I382 HydrophobicContact CD1-CG1 4.26Å; F336-I382 HydrophobicContact CD1-CG2 3.93Å; F336-I382 HydrophobicContact CE1-CB 4.29Å; F336-I382 HydrophobicContact CE1-CG2 3.72Å; F336-F385 HydrophobicContact CE1-CD1 4.45Å; F336-F385 AromaticContact CE2-CD1 3.55Å; F336-F385 HydrophobicContact CE2-CD1 3.55Å; F336-F385 AromaticContact CE2-CE1 3.88Å; F336-F385 HydrophobicContact CE2-CE1 3.88Å; F336-F385 HydrophobicContact CZ-CB 4.24Å; F336-F385 AromaticContact CZ-CD1 3.51Å; F336-F385 HydrophobicContact CZ-CD1 3.51Å; F336-F385 HydrophobicContact CZ-CE1 4.31Å; F336-F385 HydrophobicContact CZ-CG 4.28Å; F336-A386 HydrophobicContact CE1-CB 4.37Å; F336-A386 HydrophobicContact CZ-CB 4.04Å; F336-L389 HydrophobicContact CE2-CD1 3.86Å; F336-L389 HydrophobicContact CZ-CD1 4.14Å; F336-V397 HydrophobicContact CD1-CG1 3.79Å; F336-V397 HydrophobicContact CD2-CB 4.35Å; F336-V397 HydrophobicContact CD2-CG1 3.78Å; F336-V397 HydrophobicContact CD2-CG2 3.56Å; F336-V397 HydrophobicContact CE1-CG1 3.66Å; F336-V397 HydrophobicContact CE2-CB 4.16Å; F336-V397 HydrophobicContact CE2-CG1 3.68Å; F336-V397 HydrophobicContact CE2-CG2 3.31Å; F336-V397 HydrophobicContact CG-CG1 3.86Å; F336-V397 HydrophobicContact CG-CG2 4.43Å; F336-V397 HydrophobicContact CZ-CB 4.41Å; F336-V397 HydrophobicContact CZ-CG1 3.61Å; F336-V397 HydrophobicContact CZ-CG2 3.98Å; F336-F400 HydrophobicContact CB-CD1 4.35Å; F336-F400 HydrophobicContact CB-CE1 4.26Å; F336-V438 HydrophobicContact CE1-CG2 4.48Å |
| 337 | N | 94.2 | Very high | 87.2 | Confident | 58 Ų | 58 | 32 Ų | 32 | 31% | 0.31 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -59.4 | -44.5 | 179.2 | -172.2 | 57.7 | 0 | 0 | 0 | 112.1 | L333 E334 V335 R341 F400 | L333-N337 WeakPolarHBondContact O-CB 3.39Å; L333-N337 PolarHBondContact O-N 2.93Å; E334-N337 PolarHBondContact O-N 3.44Å; V335-N337 PolarHBondContact O-N 3.5Å; N337-R341 WeakPolarHBondContact O-CB 3.4Å; N337-R341 PolarHBondContact O-N 3.38Å; N337-F400 HydrophobicContact CB-CE1 4.12Å; N337-F400 HydrophobicContact CB-CZ 3.79Å |
| 338 | T | 94.4 | Very high | 88.6 | Confident | 4 Ų | 4 | 32.1 Ų | 32.1 | 3% | 0.025 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.2 | -46.4 | 177.8 | -67.5 | 0 | 0 | 0 | 0 | 111.6 | L295 L298 D299 E334 V335 F336 L340 R341 Q342 | L295-T338 HydrophobicContact CB-CG2 4.35Å; L295-T338 HydrophobicContact CD2-CG2 3.95Å; L298-T338 HydrophobicContact CD2-CG2 4.45Å; D299-T338 WeakPolarHBondContact OD1-CG2 3.35Å; E334-T338 WeakPolarHBondContact O-CB 3.4Å; E334-T338 PolarHBondContact O-N 2.92Å; E334-T338 PolarHBondContact O-OG1 3.47Å; V335-T338 PolarHBondContact O-N 3.36Å; F336-T338 VanDerWaalsContact C-N 3.34Å; F336-T338 PolarHBondContact O-N 3.38Å; T338-L340 PolarHBondContact O-N 3.09Å; T338-R341 WeakPolarHBondContact O-CB 3.4Å; T338-R341 PolarHBondContact O-N 3.44Å; T338-R341 PolarHBondContact OG1-NH2 3.37Å; T338-Q342 WeakPolarHBondContact O-CG 3.5Å; T338-Q342 PolarHBondContact O-N 3.18Å |
| 339 | L | 96.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.9 | -44.6 | 177.7 | -68.2 | 177.8 | 0 | 0 | 0 | 112.2 | L298 V335 F336 R341 Q342 L343 V378 T381 I382 | L298-L339 HydrophobicContact CD2-CD2 4.22Å; V335-L339 HydrophobicContact CG1-CD1 3.8Å; V335-L339 HydrophobicContact CG1-CG 4.39Å; V335-L339 WeakPolarHBondContact O-CB 3.39Å; V335-L339 VanDerWaalsContact O-CG 3.28Å; V335-L339 WeakPolarHBondContact O-CG 3.4Å; V335-L339 PolarHBondContact O-N 2.92Å; F336-L339 PolarHBondContact O-N 3.41Å; L339-R341 VanDerWaalsContact C-N 3.31Å; L339-R341 PolarHBondContact O-N 3.29Å; L339-Q342 PolarHBondContact O-N 2.87Å; L339-L343 PolarHBondContact O-N 2.81Å; L339-V378 HydrophobicContact CB-CG1 3.79Å; L339-V378 HydrophobicContact CD2-CG1 4.1Å; L339-V378 HydrophobicContact CG-CG1 4.44Å; L339-V378 WeakPolarHBondContact O-CG1 3.22Å; L339-T381 HydrophobicContact CD1-CG2 3.92Å; L339-I382 HydrophobicContact CB-CD1 4.06Å; L339-I382 HydrophobicContact CB-CG1 3.9Å; L339-I382 HydrophobicContact CD1-CG1 3.76Å; L339-I382 HydrophobicContact CG-CG1 4.49Å |
| 340 | L | 96.1 | Very high | 90.9 | Very high | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.8 | -33.3 | 176.5 | -61.1 | 168.8 | 0 | 0 | 0 | 112 | F336 T338 L343 R344 I382 F400 I401 L431 | F336-L340 WeakPolarHBondContact O-CB 3.44Å; F336-L340 WeakPolarHBondContact O-CG 3.33Å; F336-L340 PolarHBondContact O-N 2.95Å; T338-L340 PolarHBondContact O-N 3.09Å; L340-L343 HydrophobicContact CD2-CD1 4.35Å; L340-R344 WeakPolarHBondContact O-CG 3.38Å; L340-R344 PolarHBondContact O-N 3.14Å; L340-I382 HydrophobicContact CD2-CD1 3.72Å; L340-I382 HydrophobicContact CG-CD1 4.38Å; L340-F400 HydrophobicContact CD1-CD1 4.18Å; L340-F400 HydrophobicContact CD1-CE1 3.88Å; L340-I401 HydrophobicContact CD1-CG1 3.84Å; L340-I401 HydrophobicContact CD2-CG1 4.24Å; L340-L431 HydrophobicContact CB-CD2 4.22Å; L340-L431 HydrophobicContact CD2-CD2 3.55Å; L340-L431 HydrophobicContact CG-CD2 4.34Å |
| 341 | R | 95.2 | Very high | 91.6 | Very high | 102 Ų | 102 | 30.9 Ų | 30.9 | 39% | 0.385 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -65.2 | -43.9 | 171.8 | 179 | 176.3 | 59 | -148.8 | -18.4 | 111.2 | D299 N337 T338 L339 L343 R344 L345 | D299-R341 IonicContact OD1-CZ 2.68Å; D299-R341 IonicContact OD1-NE 3.06Å; D299-R341 PolarHBondContact OD1-NE 3.23Å; D299-R341 IonicContact OD1-NH2 2.64Å; D299-R341 PolarHBondContact OD1-NH2 3.34Å; D299-R341 IonicContact OD2-CZ 2.77Å; D299-R341 IonicContact OD2-NH2 2.68Å; D299-R341 PolarHBondContact OD2-NH2 3.2Å; N337-R341 WeakPolarHBondContact O-CB 3.4Å; N337-R341 PolarHBondContact O-N 3.38Å; T338-R341 WeakPolarHBondContact O-CB 3.4Å; T338-R341 PolarHBondContact O-N 3.44Å; T338-R341 PolarHBondContact OG1-NH2 3.37Å; L339-R341 VanDerWaalsContact C-N 3.31Å; L339-R341 PolarHBondContact O-N 3.29Å; R341-L343 VanDerWaalsContact C-N 3.3Å; R341-L343 PolarHBondContact O-N 3.28Å; R341-R344 WeakPolarHBondContact O-CB 3.33Å; R341-R344 PolarHBondContact O-N 3.23Å; R341-L345 HydrophobicContact CG-CD1 4.32Å; R341-L345 WeakPolarHBondContact O-CG 3.29Å; R341-L345 PolarHBondContact O-N 3.46Å |
| 342 | Q | 95.1 | Very high | 91.8 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.8 | -35.4 | 177.3 | -67.2 | -67.4 | -27.5 | 0 | 0 | 112.3 | L298 D299 T338 L339 L345 S346 | L298-Q342 HydrophobicContact CD1-CG 4.4Å; L298-Q342 HydrophobicContact CD2-CG 3.84Å; L298-Q342 HydrophobicContact CG-CG 3.86Å; L298-Q342 PolarHBondContact O-NE2 3.43Å; D299-Q342 PolarHBondContact OD1-NE2 3.26Å; D299-Q342 VanDerWaalsContact OD1-NE2 3.11Å; T338-Q342 WeakPolarHBondContact O-CG 3.5Å; T338-Q342 PolarHBondContact O-N 3.18Å; L339-Q342 PolarHBondContact O-N 2.87Å; Q342-L345 PolarHBondContact O-N 3.49Å; Q342-S346 WeakPolarHBondContact O-CB 3.28Å; Q342-S346 PolarHBondContact O-N 3.46Å |
| 343 | L | 95.2 | Very high | 91.5 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.6 | -46.7 | 170.7 | -78.6 | 174.1 | 0 | 0 | 0 | 112.3 | L339 L340 R341 S346 V347 Q375 V378 I379 I382 S434 | L339-L343 PolarHBondContact O-N 2.81Å; L340-L343 HydrophobicContact CD2-CD1 4.35Å; R341-L343 VanDerWaalsContact C-N 3.3Å; R341-L343 PolarHBondContact O-N 3.28Å; L343-S346 PolarHBondContact O-N 3.41Å; L343-V347 WeakPolarHBondContact O-CG2 3.37Å; L343-V347 PolarHBondContact O-N 3.42Å; L343-Q375 HydrophobicContact CD2-CB 3.99Å; L343-Q375 HydrophobicContact CD2-CG 4.25Å; L343-Q375 WeakPolarHBondContact CD2-O 3.38Å; L343-V378 HydrophobicContact CD1-CG1 3.94Å; L343-V378 HydrophobicContact CD2-CB 3.8Å; L343-V378 HydrophobicContact CD2-CG1 3.93Å; L343-V378 HydrophobicContact CG-CB 4.01Å; L343-V378 HydrophobicContact CG-CG1 3.54Å; L343-I379 HydrophobicContact CD1-CG1 4.11Å; L343-I379 HydrophobicContact CD2-CD1 4.49Å; L343-I379 HydrophobicContact CD2-CG1 4.18Å; L343-I382 HydrophobicContact CD1-CD1 3.92Å; L343-S434 WeakPolarHBondContact CD1-OG 3.44Å |
| 344 | R | 94.3 | Very high | 90.9 | Very high | 67 Ų | 67 | 35.2 Ų | 35.2 | 25% | 0.253 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -61.3 | -48 | 177.8 | -69.1 | 171.7 | -172.6 | -93.2 | -1.4 | 111.5 | L340 R341 S346 V347 D348 K404 I427 L431 | L340-R344 WeakPolarHBondContact O-CG 3.38Å; L340-R344 PolarHBondContact O-N 3.14Å; R341-R344 WeakPolarHBondContact O-CB 3.33Å; R341-R344 PolarHBondContact O-N 3.23Å; R344-S346 VanDerWaalsContact C-N 3.29Å; R344-S346 PolarHBondContact O-N 2.86Å; R344-V347 PolarHBondContact O-N 3.22Å; R344-V347 VanDerWaalsContact O-N 3.17Å; R344-D348 PolarHBondContact O-N 3.46Å; R344-K404 PolarHBondContact NH2-O 2.97Å; R344-I427 HydrophobicContact CG-CD1 4.43Å; R344-I427 HydrophobicContact CG-CG1 4.45Å; R344-I427 HydrophobicContact CG-CG2 4.2Å; R344-L431 VanDerWaalsContact NH2-CD1 3.32Å |
| 345 | L | 92.9 | Very high | 90.2 | Very high | 42 Ų | 42 | 32.6 Ų | 32.6 | 22% | 0.22 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.1 | -43.1 | 176.8 | -70.3 | 174 | 0 | 0 | 0 | 111.6 | R341 Q342 V347 D348 Y349 | R341-L345 HydrophobicContact CG-CD1 4.32Å; R341-L345 WeakPolarHBondContact O-CG 3.29Å; R341-L345 PolarHBondContact O-N 3.46Å; Q342-L345 PolarHBondContact O-N 3.49Å; L345-V347 VanDerWaalsContact C-N 3.35Å; L345-V347 PolarHBondContact O-N 3.11Å; L345-D348 PolarHBondContact O-N 3.3Å; L345-Y349 HydrophobicContact CB-CD2 4.47Å; L345-Y349 HydrophobicContact CB-CE2 3.94Å; L345-Y349 WeakPolarHBondContact O-CB 3.46Å; L345-Y349 WeakPolarHBondContact O-CD2 3.44Å; L345-Y349 PolarHBondContact O-N 3.34Å |
| 346 | S | 94.1 | Very high | 89 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.9 | -39.4 | 177.6 | -174.7 | 0 | 0 | 0 | 0 | 112.8 | Q342 L343 R344 Y349 E350 E371 Q375 | Q342-S346 WeakPolarHBondContact O-CB 3.28Å; Q342-S346 PolarHBondContact O-N 3.46Å; L343-S346 PolarHBondContact O-N 3.41Å; R344-S346 VanDerWaalsContact C-N 3.29Å; R344-S346 PolarHBondContact O-N 2.86Å; S346-Y349 PolarHBondContact O-N 3.27Å; S346-E350 WeakPolarHBondContact O-CB 3.44Å; S346-E350 PolarHBondContact O-N 3.36Å; S346-E371 WeakPolarHBondContact CA-OE2 3.14Å; S346-E371 WeakPolarHBondContact CB-OE2 3.41Å; S346-E371 PolarHBondContact OG-O 3.5Å; S346-E371 PolarHBondContact OG-OE2 3.25Å; S346-Q375 WeakPolarHBondContact OG-CG 3.49Å; S346-Q375 PolarHBondContact OG-NE2 3.24Å |
| 347 | V | 91.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.4 | -43.9 | 173.2 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | L343 R344 L345 Y349 E350 L351 M426 I427 M430 | L343-V347 WeakPolarHBondContact O-CG2 3.37Å; L343-V347 PolarHBondContact O-N 3.42Å; R344-V347 PolarHBondContact O-N 3.22Å; R344-V347 VanDerWaalsContact O-N 3.17Å; L345-V347 VanDerWaalsContact C-N 3.35Å; L345-V347 PolarHBondContact O-N 3.11Å; V347-Y349 VanDerWaalsContact C-N 3.32Å; V347-Y349 PolarHBondContact O-N 3.42Å; V347-E350 PolarHBondContact O-N 3.5Å; V347-L351 HydrophobicContact CG1-CD1 3.94Å; V347-L351 WeakPolarHBondContact O-CG 3.47Å; V347-L351 PolarHBondContact O-N 3Å; V347-L351 VanDerWaalsContact O-N 3.13Å; V347-M426 HydrophobicContact CG1-CB 3.52Å; V347-M426 HydrophobicContact CG1-CE 4.28Å; V347-M426 HydrophobicContact CG1-SD 4.34Å; V347-M426 HydrophobicContact CG2-CB 4.36Å; V347-I427 HydrophobicContact CB-CG1 4.23Å; V347-I427 HydrophobicContact CG1-CG1 3.96Å; V347-M430 HydrophobicContact CG2-CG 3.79Å |
| 348 | D | 89.4 | Confident | 85.2 | Confident | 69 Ų | 69 | 41.5 Ų | 41.5 | 37% | 0.369 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.8 | -40.2 | 177.9 | -67.2 | -24.8 | 0 | 0 | 0 | 111.4 | R344 L345 L351 T352 | R344-D348 PolarHBondContact O-N 3.46Å; L345-D348 PolarHBondContact O-N 3.3Å; D348-L351 PolarHBondContact O-N 2.98Å; D348-T352 WeakPolarHBondContact O-CB 3.43Å; D348-T352 VanDerWaalsContact O-CG2 3.31Å; D348-T352 WeakPolarHBondContact O-CG2 3.31Å; D348-T352 PolarHBondContact O-N 3.4Å; D348-T352 PolarHBondContact O-OG1 3.44Å |
| 349 | Y | 90.3 | Very high | 83 | Confident | 18 Ų | 18 | 48.2 Ų | 48.2 | 7% | 0.071 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.1 | -38.5 | 176.6 | -64.8 | -25.9 | 0 | 0 | 0 | 113 | S302 L345 S346 V347 L351 G353 S354 Y355 I366 | S302-Y349 VanDerWaalsContact O-CE2 3.29Å; S302-Y349 WeakPolarHBondContact O-CE2 3.23Å; S302-Y349 PolarHBondContact O-OH 3.34Å; L345-Y349 HydrophobicContact CB-CD2 4.47Å; L345-Y349 HydrophobicContact CB-CE2 3.94Å; L345-Y349 WeakPolarHBondContact O-CB 3.46Å; L345-Y349 WeakPolarHBondContact O-CD2 3.44Å; L345-Y349 PolarHBondContact O-N 3.34Å; S346-Y349 PolarHBondContact O-N 3.27Å; V347-Y349 VanDerWaalsContact C-N 3.32Å; V347-Y349 PolarHBondContact O-N 3.42Å; Y349-L351 VanDerWaalsContact C-N 3.27Å; Y349-L351 PolarHBondContact O-N 3.33Å; Y349-G353 WeakPolarHBondContact O-CA 3.49Å; Y349-G353 PolarHBondContact O-N 3.15Å; Y349-S354 VanDerWaalsContact CD1-O 3.28Å; Y349-S354 WeakPolarHBondContact CD1-O 3.42Å; Y349-Y355 HydrophobicContact CD1-CD1 4.06Å; Y349-Y355 AromaticContact CD2-CD1 3.63Å; Y349-Y355 HydrophobicContact CD2-CD1 3.63Å; Y349-Y355 AromaticContact CD2-CE1 3.77Å; Y349-Y355 HydrophobicContact CD2-CE1 3.77Å; Y349-Y355 HydrophobicContact CE1-CD1 4.11Å; Y349-Y355 AromaticContact CE2-CD1 3.69Å; Y349-Y355 HydrophobicContact CE2-CD1 3.69Å; Y349-Y355 HydrophobicContact CE2-CE1 4.16Å; Y349-Y355 AromaticContact CG-CD1 3.83Å; Y349-Y355 HydrophobicContact CG-CD1 3.83Å; Y349-Y355 HydrophobicContact CG-CE1 4.12Å; Y349-Y355 AromaticContact CZ-CD1 3.93Å; Y349-I366 HydrophobicContact CG-CD1 4.35Å |
| 350 | E | 89.2 | Confident | 80.6 | Confident | 31 Ų | 31 | 54.9 Ų | 54.9 | 15% | 0.145 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.2 | -39.6 | 173.1 | -177.9 | 178.3 | 171.1 | 0 | 0 | 111.7 | S346 V347 A368 E371 R372 Q375 M426 | S346-E350 WeakPolarHBondContact O-CB 3.44Å; S346-E350 PolarHBondContact O-N 3.36Å; V347-E350 PolarHBondContact O-N 3.5Å; E350-A368 HydrophobicContact CG-CB 3.95Å; E350-E371 HydrophobicContact CB-CB 4.28Å; E350-R372 IonicContact OE1-CZ 3.8Å; E350-R372 IonicContact OE1-NE 2.89Å; E350-R372 PolarHBondContact OE1-NE 3.37Å; E350-R372 IonicContact OE1-NH2 3.31Å; E350-R372 PolarHBondContact OE1-NH2 3.46Å; E350-R372 IonicContact OE2-NE 2.82Å; E350-Q375 PolarHBondContact OE2-NE2 3.23Å; E350-M426 VanDerWaalsContact CD-CE 3.43Å; E350-M426 HydrophobicContact CG-CE 4.33Å; E350-M426 VanDerWaalsContact OE2-CE 3.25Å; E350-M426 WeakPolarHBondContact OE2-CE 3.09Å |
| 351 | L | 86.1 | Confident | 78.4 | Confident | 71 Ų | 71 | 63.3 Ų | 63.3 | 37% | 0.372 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -81.3 | -43.3 | -176.5 | -70.6 | 167.4 | 0 | 0 | 0 | 113.6 | V347 D348 Y349 Q422 M426 | V347-L351 HydrophobicContact CG1-CD1 3.94Å; V347-L351 WeakPolarHBondContact O-CG 3.47Å; V347-L351 PolarHBondContact O-N 3Å; V347-L351 VanDerWaalsContact O-N 3.13Å; D348-L351 PolarHBondContact O-N 2.98Å; Y349-L351 VanDerWaalsContact C-N 3.27Å; Y349-L351 PolarHBondContact O-N 3.33Å; L351-Q422 HydrophobicContact CD2-CG 4.34Å; L351-M426 HydrophobicContact CD1-SD 4.15Å; L351-M426 HydrophobicContact CD2-SD 3.8Å; L351-M426 HydrophobicContact CG-SD 4.09Å |
| 352 | T | 84.4 | Confident | 76.2 | Confident | 98 Ų | 98 | 61.4 Ų | 61.4 | 60% | 0.601 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -84.4 | -22.4 | -175.7 | 58.6 | 0 | 0 | 0 | 0 | 112.7 | D348 S354 | D348-T352 WeakPolarHBondContact O-CB 3.43Å; D348-T352 VanDerWaalsContact O-CG2 3.31Å; D348-T352 WeakPolarHBondContact O-CG2 3.31Å; D348-T352 PolarHBondContact O-N 3.4Å; D348-T352 PolarHBondContact O-OG1 3.44Å; T352-S354 PolarHBondContact O-N 3.11Å; T352-S354 PolarHBondContact OG1-O 3.46Å |
| 353 | G | 80.6 | Confident | 73.9 | Confident | 38 Ų | 38 | 67.4 Ų | 67.4 | 39% | 0.392 | 42% | 0.418 | S | S | . | . | S | Bend | trans | 66.6 | 13.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y349 I366 | Y349-G353 WeakPolarHBondContact O-CA 3.49Å; Y349-G353 PolarHBondContact O-N 3.15Å; G353-I366 VanDerWaalsContact C-CD1 3.49Å; G353-I366 WeakPolarHBondContact O-CG1 3.44Å |
| 354 | S | 75.2 | Confident | 72 | Confident | 46 Ų | 46 | 75.5 Ų | 75.5 | 32% | 0.322 | 45% | 0.449 | S | S | . | . | trans | -138.5 | 141.4 | -179.7 | -179.5 | 0 | 0 | 0 | 0 | 111.6 | Y349 T352 D356 | Y349-S354 VanDerWaalsContact CD1-O 3.28Å; Y349-S354 WeakPolarHBondContact CD1-O 3.42Å; T352-S354 PolarHBondContact O-N 3.11Å; T352-S354 PolarHBondContact OG1-O 3.46Å; S354-D356 VanDerWaalsContact C-N 3.31Å; S354-D356 WeakPolarHBondContact CB-O 3.04Å; S354-D356 PolarHBondContact OG-N 3.24Å; S354-D356 VanDerWaalsContact OG-N 3.15Å; S354-D356 PolarHBondContact OG-O 2.95Å | ||
| 355 | Y | 74.6 | Confident | 70.7 | Confident | 30 Ų | 30 | 78.8 Ų | 78.8 | 12% | 0.118 | 47% | 0.47 | C | S | . | . | S | Bend | trans | -80.2 | -16 | 173 | -62.4 | -73.3 | 0 | 0 | 0 | 112.7 | Y349 R364 I366 E371 | Y349-Y355 HydrophobicContact CD1-CD1 4.06Å; Y349-Y355 AromaticContact CD2-CD1 3.63Å; Y349-Y355 HydrophobicContact CD2-CD1 3.63Å; Y349-Y355 AromaticContact CD2-CE1 3.77Å; Y349-Y355 HydrophobicContact CD2-CE1 3.77Å; Y349-Y355 HydrophobicContact CE1-CD1 4.11Å; Y349-Y355 AromaticContact CE2-CD1 3.69Å; Y349-Y355 HydrophobicContact CE2-CD1 3.69Å; Y349-Y355 HydrophobicContact CE2-CE1 4.16Å; Y349-Y355 AromaticContact CG-CD1 3.83Å; Y349-Y355 HydrophobicContact CG-CD1 3.83Å; Y349-Y355 HydrophobicContact CG-CE1 4.12Å; Y349-Y355 AromaticContact CZ-CD1 3.93Å; Y355-R364 HydrophobicContact CD2-CB 4.46Å; Y355-R364 HydrophobicContact CE2-CB 4.43Å; Y355-I366 HydrophobicContact CD1-CD1 3.91Å; Y355-I366 HydrophobicContact CD2-CD1 3.81Å; Y355-I366 HydrophobicContact CD2-CG1 4.03Å; Y355-I366 HydrophobicContact CE1-CD1 3.8Å; Y355-I366 HydrophobicContact CE1-CG1 4.4Å; Y355-I366 HydrophobicContact CE2-CD1 3.69Å; Y355-I366 HydrophobicContact CE2-CG1 3.56Å; Y355-I366 HydrophobicContact CG-CD1 3.93Å; Y355-E371 PolarHBondContact OH-OE1 3.03Å |
| 356 | D | 66.1 | Low | 69.9 | Low | 81 Ų | 81 | 77.7 Ų | 77.7 | 43% | 0.433 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -113.3 | 130.8 | 175.9 | -76 | -37.4 | 0 | 0 | 0 | 110.4 | K303 S354 S358 | K303-D356 IonicContact NZ-OD1 3.08Å; K303-D356 PolarHBondContact NZ-OD1 3.06Å; S354-D356 VanDerWaalsContact C-N 3.31Å; S354-D356 WeakPolarHBondContact CB-O 3.04Å; S354-D356 PolarHBondContact OG-N 3.24Å; S354-D356 VanDerWaalsContact OG-N 3.15Å; S354-D356 PolarHBondContact OG-O 2.95Å; D356-S358 PolarHBondContact O-N 3.43Å; D356-S358 VanDerWaalsContact O-N 3.1Å |
| 357 | G | 56.2 | Low | 69.3 | Low | 99 Ų | 99 | 83.2 Ų | 83.2 | 100% | 1.021 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -70.6 | 4.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 358 | S | 51.3 | Low | 69 | Low | 68 Ų | 68 | 85 Ų | 85 | 48% | 0.476 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -108.6 | 125.7 | 173.2 | 53.6 | 0 | 0 | 0 | 0 | 110 | D356 N360 | D356-S358 PolarHBondContact O-N 3.43Å; D356-S358 VanDerWaalsContact O-N 3.1Å; S358-N360 PolarHBondContact O-N 3.07Å |
| 359 | T | 48.7 | Very low | 69 | Low | 145 Ų | 145 | 87.5 Ų | 87.5 | 89% | 0.89 | 51% | 0.512 | S | S | * | . | trans | -60.6 | 81.5 | 170.7 | 40.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 360 | N | 45.9 | Very low | 69 | Low | 141 Ų | 141 | 88.1 Ų | 88.1 | 75% | 0.754 | 52% | 0.516 | S | S | * | . | trans | -122.2 | 130.1 | 165.5 | -86 | -30.1 | 0 | 0 | 0 | 110.1 | S358 G362 | S358-N360 PolarHBondContact O-N 3.07Å; N360-G362 PolarHBondContact O-N 2.94Å | ||
| 361 | I | 50.5 | Low | 69.2 | Low | 181 Ų | 181 | 86.7 Ų | 86.7 | 93% | 0.928 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -72 | 88.7 | -168 | -61.6 | 157.9 | 0 | 0 | 0 | 108.7 | ||
| 362 | G | 48.3 | Very low | 69.5 | Low | 62 Ų | 62 | 89.6 Ų | 89.6 | 64% | 0.639 | 52% | 0.515 | S | S | * | . | trans | -151.5 | 78.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | N360 R364 | N360-G362 PolarHBondContact O-N 2.94Å; G362-R364 VanDerWaalsContact C-N 3.34Å; G362-R364 PolarHBondContact O-N 3.35Å | ||
| 363 | T | 47.2 | Very low | 70 | Confident | 126 Ų | 126 | 89.9 Ų | 89.9 | 77% | 0.773 | 51% | 0.509 | S | S | * | . | trans | -61.9 | 82.2 | -171 | 4.2 | 0 | 0 | 0 | 0 | 112.5 | I365 | T363-I365 HydrophobicContact CG2-CG1 4.08Å; T363-I365 PolarHBondContact O-N 3.41Å | ||
| 364 | R | 56.1 | Low | 70.7 | Confident | 172 Ų | 172 | 88.1 Ų | 88.1 | 65% | 0.649 | 49% | 0.491 | S | S | * | . | trans | -76.4 | 88.1 | 148.3 | -77 | -174 | 172.2 | 177.8 | -1 | 106.3 | Y355 G362 I366 | Y355-R364 HydrophobicContact CD2-CB 4.46Å; Y355-R364 HydrophobicContact CE2-CB 4.43Å; G362-R364 VanDerWaalsContact C-N 3.34Å; G362-R364 PolarHBondContact O-N 3.35Å; R364-I366 PolarHBondContact O-N 2.96Å | ||
| 365 | I | 66.1 | Low | 71.7 | Confident | 136 Ų | 136 | 86.3 Ų | 86.3 | 70% | 0.697 | 48% | 0.477 | S | S | * | . | trans | -56.1 | 108.9 | 177.1 | -61.9 | 172.8 | 0 | 0 | 0 | 107.7 | T363 K367 | T363-I365 HydrophobicContact CG2-CG1 4.08Å; T363-I365 PolarHBondContact O-N 3.41Å; I365-K367 PolarHBondContact O-N 2.8Å | ||
| 366 | I | 75.9 | Confident | 72.7 | Confident | 20 Ų | 20 | 90 Ų | 90 | 10% | 0.103 | 50% | 0.495 | C | S | . | . | trans | -70.3 | 123.5 | 172.7 | -59.7 | -167.1 | 0 | 0 | 0 | 107.6 | Y349 G353 Y355 R364 A368 E371 | Y349-I366 HydrophobicContact CG-CD1 4.35Å; G353-I366 VanDerWaalsContact C-CD1 3.49Å; G353-I366 WeakPolarHBondContact O-CG1 3.44Å; Y355-I366 HydrophobicContact CD1-CD1 3.91Å; Y355-I366 HydrophobicContact CD2-CD1 3.81Å; Y355-I366 HydrophobicContact CD2-CG1 4.03Å; Y355-I366 HydrophobicContact CE1-CD1 3.8Å; Y355-I366 HydrophobicContact CE1-CG1 4.4Å; Y355-I366 HydrophobicContact CE2-CD1 3.69Å; Y355-I366 HydrophobicContact CE2-CG1 3.56Å; Y355-I366 HydrophobicContact CG-CD1 3.93Å; R364-I366 PolarHBondContact O-N 2.96Å; I366-A368 PolarHBondContact O-N 3.19Å; I366-E371 HydrophobicContact CG2-CG 3.63Å | ||
| 367 | K | 81.6 | Confident | 74.1 | Confident | 116 Ų | 116 | 86.4 Ų | 86.4 | 50% | 0.504 | 48% | 0.478 | S | S | . | . | trans | -88.3 | 103.8 | 173.5 | -68.6 | 168 | 179.4 | -179.6 | 0 | 107.8 | I365 H369 E370 E371 | I365-K367 PolarHBondContact O-N 2.8Å; K367-H369 PolarHBondContact O-N 3.41Å; K367-E370 HydrophobicContact CB-CB 4.18Å; K367-E370 HydrophobicContact CB-CG 3.82Å; K367-E370 HydrophobicContact CD-CG 4.04Å; K367-E370 WeakPolarHBondContact CD-OE1 3.38Å; K367-E370 IonicContact NZ-OE1 3.2Å; K367-E370 PolarHBondContact NZ-OE1 3.44Å; K367-E370 WeakPolarHBondContact O-CB 3.19Å; K367-E370 PolarHBondContact O-N 3.14Å; K367-E371 PolarHBondContact O-N 2.93Å | ||
| 368 | A | 85 | Confident | 76.1 | Confident | 36 Ų | 36 | 81.7 Ų | 81.7 | 30% | 0.298 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -48.9 | -36 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | E350 I366 E370 E371 R372 | E350-A368 HydrophobicContact CG-CB 3.95Å; I366-A368 PolarHBondContact O-N 3.19Å; A368-E370 PolarHBondContact O-N 2.82Å; A368-E371 PolarHBondContact O-N 3.28Å; A368-R372 WeakPolarHBondContact O-CG 3.27Å; A368-R372 PolarHBondContact O-N 3.46Å |
| 369 | H | 88.9 | Confident | 78.2 | Confident | 122 Ų | 122 | 78.7 Ų | 78.7 | 57% | 0.565 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -63.8 | -38.2 | 175.8 | -176.9 | 62 | 0 | 0 | 0 | 113.4 | K367 R372 Q373 | K367-H369 PolarHBondContact O-N 3.41Å; H369-R372 PolarHBondContact O-N 3.14Å; H369-Q373 PolarHBondContact CD2-NE2 3.19Å; H369-Q373 PolarHBondContact NE2-NE2 2.64Å; H369-Q373 WeakPolarHBondContact O-CG 3.33Å; H369-Q373 PolarHBondContact O-N 2.99Å |
| 370 | E | 91.1 | Very high | 80.4 | Confident | 32 Ų | 32 | 76.9 Ų | 76.9 | 15% | 0.15 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -69.7 | -35.8 | 177.6 | -61.9 | -178.6 | 176.8 | 0 | 0 | 110.8 | A306 K307 K367 A368 Q373 L374 | A306-E370 HydrophobicContact CB-CB 3.9Å; A306-E370 WeakPolarHBondContact CB-O 3.47Å; K307-E370 WeakPolarHBondContact CE-OE1 3.38Å; K307-E370 IonicContact NZ-OE1 3.01Å; K367-E370 HydrophobicContact CB-CB 4.18Å; K367-E370 HydrophobicContact CB-CG 3.82Å; K367-E370 HydrophobicContact CD-CG 4.04Å; K367-E370 WeakPolarHBondContact CD-OE1 3.38Å; K367-E370 IonicContact NZ-OE1 3.2Å; K367-E370 PolarHBondContact NZ-OE1 3.44Å; K367-E370 WeakPolarHBondContact O-CB 3.19Å; K367-E370 PolarHBondContact O-N 3.14Å; A368-E370 PolarHBondContact O-N 2.82Å; E370-Q373 PolarHBondContact O-N 2.92Å; E370-L374 PolarHBondContact O-N 3.27Å |
| 371 | E | 93.7 | Very high | 82.8 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 171.2 | -67.8 | -61.4 | 152.5 | 0 | 0 | 111.9 | A306 R309 S346 E350 Y355 I366 K367 A368 Q373 L374 Q375 | A306-E371 HydrophobicContact CB-CG 4.46Å; R309-E371 IonicContact CZ-OE1 3.92Å; R309-E371 IonicContact CZ-OE2 3.96Å; R309-E371 IonicContact NH1-OE2 3.24Å; R309-E371 IonicContact NH2-OE1 2.7Å; R309-E371 PolarHBondContact NH2-OE1 3.1Å; R309-E371 IonicContact NH2-OE2 4Å; R309-E371 PolarHBondContact NH2-OE2 3.36Å; S346-E371 WeakPolarHBondContact CA-OE2 3.14Å; S346-E371 WeakPolarHBondContact CB-OE2 3.41Å; S346-E371 PolarHBondContact OG-O 3.5Å; S346-E371 PolarHBondContact OG-OE2 3.25Å; E350-E371 HydrophobicContact CB-CB 4.28Å; Y355-E371 PolarHBondContact OH-OE1 3.03Å; I366-E371 HydrophobicContact CG2-CG 3.63Å; K367-E371 PolarHBondContact O-N 2.93Å; A368-E371 PolarHBondContact O-N 3.28Å; E371-Q373 VanDerWaalsContact C-N 3.31Å; E371-Q373 PolarHBondContact O-N 3.18Å; E371-L374 CarbonylContact O-C 3.53Å; E371-L374 WeakPolarHBondContact O-CA 3.28Å; E371-L374 WeakPolarHBondContact O-CB 3.27Å; E371-L374 PolarHBondContact O-N 2.86Å; E371-L374 VanDerWaalsContact O-N 3.07Å; E371-Q375 VanDerWaalsContact O-CG 3.32Å; E371-Q375 WeakPolarHBondContact O-CG 3.44Å; E371-Q375 PolarHBondContact O-N 2.81Å |
| 372 | R | 93.1 | Very high | 84.9 | Confident | 133 Ų | 133 | 61.7 Ų | 61.7 | 50% | 0.502 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.9 | -37.5 | 175.5 | -70 | 176.5 | -165.7 | 158.2 | 7.4 | 112.9 | E350 A368 H369 L374 Q375 E376 | E350-R372 IonicContact OE1-CZ 3.8Å; E350-R372 IonicContact OE1-NE 2.89Å; E350-R372 PolarHBondContact OE1-NE 3.37Å; E350-R372 IonicContact OE1-NH2 3.31Å; E350-R372 PolarHBondContact OE1-NH2 3.46Å; E350-R372 IonicContact OE2-NE 2.82Å; A368-R372 WeakPolarHBondContact O-CG 3.27Å; A368-R372 PolarHBondContact O-N 3.46Å; H369-R372 PolarHBondContact O-N 3.14Å; R372-L374 VanDerWaalsContact C-N 3.33Å; R372-Q375 PolarHBondContact O-N 3.3Å; R372-E376 PolarHBondContact O-N 2.91Å |
| 373 | Q | 93.6 | Very high | 87 | Confident | 103 Ų | 103 | 58.8 Ų | 58.8 | 48% | 0.481 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.4 | -38.6 | 173.1 | -71.7 | -178.8 | 0 | 0 | 0 | 111.8 | H369 E370 E371 A377 | H369-Q373 PolarHBondContact CD2-NE2 3.19Å; H369-Q373 PolarHBondContact NE2-NE2 2.64Å; H369-Q373 WeakPolarHBondContact O-CG 3.33Å; H369-Q373 PolarHBondContact O-N 2.99Å; E370-Q373 PolarHBondContact O-N 2.92Å; E371-Q373 VanDerWaalsContact C-N 3.31Å; E371-Q373 PolarHBondContact O-N 3.18Å; Q373-A377 WeakPolarHBondContact O-CB 3.31Å; Q373-A377 PolarHBondContact O-N 2.93Å |
| 374 | L | 95.3 | Very high | 89.1 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 172.5 | 172.4 | 65.1 | 0 | 0 | 0 | 111.3 | A306 R309 A310 V313 E370 E371 R372 E376 A377 V378 | A306-L374 HydrophobicContact CB-CB 4.32Å; A306-L374 HydrophobicContact CB-CD2 4.38Å; R309-L374 HydrophobicContact CB-CD1 3.93Å; R309-L374 HydrophobicContact CB-CD2 3.88Å; A310-L374 HydrophobicContact CB-CD1 3.96Å; V313-L374 HydrophobicContact CG2-CD1 4.18Å; E370-L374 PolarHBondContact O-N 3.27Å; E371-L374 CarbonylContact O-C 3.53Å; E371-L374 WeakPolarHBondContact O-CA 3.28Å; E371-L374 WeakPolarHBondContact O-CB 3.27Å; E371-L374 PolarHBondContact O-N 2.86Å; E371-L374 VanDerWaalsContact O-N 3.07Å; R372-L374 VanDerWaalsContact C-N 3.33Å; L374-E376 VanDerWaalsContact C-N 3.34Å; L374-E376 PolarHBondContact O-N 3.24Å; L374-A377 PolarHBondContact O-N 2.85Å; L374-V378 HydrophobicContact CD1-CG2 3.99Å; L374-V378 HydrophobicContact CG-CG2 4.41Å; L374-V378 WeakPolarHBondContact O-CG2 3.42Å; L374-V378 PolarHBondContact O-N 3.37Å |
| 375 | Q | 96.4 | Very high | 90.8 | Very high | 8 Ų | 8 | 46.7 Ų | 46.7 | 4% | 0.037 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.6 | -48.2 | 177.9 | -67.5 | 161.2 | 18.4 | 0 | 0 | 111.2 | L343 S346 E350 E371 R372 V378 I379 M430 | L343-Q375 HydrophobicContact CD2-CB 3.99Å; L343-Q375 HydrophobicContact CD2-CG 4.25Å; L343-Q375 WeakPolarHBondContact CD2-O 3.38Å; S346-Q375 WeakPolarHBondContact OG-CG 3.49Å; S346-Q375 PolarHBondContact OG-NE2 3.24Å; E350-Q375 PolarHBondContact OE2-NE2 3.23Å; E371-Q375 VanDerWaalsContact O-CG 3.32Å; E371-Q375 WeakPolarHBondContact O-CG 3.44Å; E371-Q375 PolarHBondContact O-N 2.81Å; R372-Q375 PolarHBondContact O-N 3.3Å; Q375-V378 PolarHBondContact O-N 3.42Å; Q375-I379 WeakPolarHBondContact O-CG1 3.32Å; Q375-I379 PolarHBondContact O-N 2.81Å; Q375-M430 HydrophobicContact CB-SD 3.96Å; Q375-M430 HydrophobicContact CG-SD 4.3Å |
| 376 | E | 95.6 | Very high | 92 | Very high | 107 Ų | 107 | 40.2 Ų | 40.2 | 50% | 0.5 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.7 | -43.4 | 176.6 | -178 | 61.3 | -164.7 | 0 | 0 | 112.2 | R372 L374 V378 I379 R380 | R372-E376 PolarHBondContact O-N 2.91Å; L374-E376 VanDerWaalsContact C-N 3.34Å; L374-E376 PolarHBondContact O-N 3.24Å; E376-V378 VanDerWaalsContact C-N 3.31Å; E376-V378 PolarHBondContact O-N 2.7Å; E376-I379 PolarHBondContact O-N 2.79Å; E376-R380 WeakPolarHBondContact O-CB 3.48Å; E376-R380 PolarHBondContact O-N 2.73Å |
| 377 | A | 95.7 | Very high | 92.6 | Very high | 7 Ų | 7 | 43 Ų | 43 | 6% | 0.058 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.9 | -42.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V313 Q373 L374 R380 T381 | V313-A377 HydrophobicContact CG1-CB 4.23Å; Q373-A377 WeakPolarHBondContact O-CB 3.31Å; Q373-A377 PolarHBondContact O-N 2.93Å; L374-A377 PolarHBondContact O-N 2.85Å; A377-R380 PolarHBondContact O-N 3.35Å; A377-T381 PolarHBondContact O-N 3.28Å; A377-T381 PolarHBondContact O-OG1 3.03Å |
| 378 | V | 97.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.1 | -44.4 | 177.5 | 176.3 | 0 | 0 | 0 | 0 | 111.6 | V313 L339 L343 L374 Q375 E376 R380 T381 I382 | V313-V378 HydrophobicContact CG1-CG2 3.99Å; V313-V378 HydrophobicContact CG2-CG2 3.79Å; L339-V378 HydrophobicContact CB-CG1 3.79Å; L339-V378 HydrophobicContact CD2-CG1 4.1Å; L339-V378 HydrophobicContact CG-CG1 4.44Å; L339-V378 WeakPolarHBondContact O-CG1 3.22Å; L343-V378 HydrophobicContact CD1-CG1 3.94Å; L343-V378 HydrophobicContact CD2-CB 3.8Å; L343-V378 HydrophobicContact CD2-CG1 3.93Å; L343-V378 HydrophobicContact CG-CB 4.01Å; L343-V378 HydrophobicContact CG-CG1 3.54Å; L374-V378 HydrophobicContact CD1-CG2 3.99Å; L374-V378 HydrophobicContact CG-CG2 4.41Å; L374-V378 WeakPolarHBondContact O-CG2 3.42Å; L374-V378 PolarHBondContact O-N 3.37Å; Q375-V378 PolarHBondContact O-N 3.42Å; E376-V378 VanDerWaalsContact C-N 3.31Å; E376-V378 PolarHBondContact O-N 2.7Å; V378-R380 VanDerWaalsContact C-N 3.3Å; V378-R380 PolarHBondContact O-N 2.94Å; V378-T381 PolarHBondContact O-N 2.59Å; V378-T381 VanDerWaalsContact O-N 3.17Å; V378-I382 HydrophobicContact CG1-CD1 4.09Å; V378-I382 HydrophobicContact CG1-CG1 4.49Å; V378-I382 WeakPolarHBondContact O-CG1 3.49Å; V378-I382 PolarHBondContact O-N 3.09Å |
| 379 | I | 97.1 | Very high | 92.9 | Very high | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.5 | -43.9 | 176.3 | -73.7 | 162.4 | 0 | 0 | 0 | 110.7 | L343 Q375 E376 I382 G383 M430 K433 Q437 | L343-I379 HydrophobicContact CD1-CG1 4.11Å; L343-I379 HydrophobicContact CD2-CD1 4.49Å; L343-I379 HydrophobicContact CD2-CG1 4.18Å; Q375-I379 WeakPolarHBondContact O-CG1 3.32Å; Q375-I379 PolarHBondContact O-N 2.81Å; E376-I379 PolarHBondContact O-N 2.79Å; I379-I382 WeakPolarHBondContact O-CB 3.22Å; I379-I382 PolarHBondContact O-N 3.05Å; I379-G383 PolarHBondContact O-N 2.75Å; I379-M430 HydrophobicContact CD1-SD 3.77Å; I379-K433 HydrophobicContact CD1-CB 3.82Å; I379-K433 HydrophobicContact CD1-CD 4.29Å; I379-K433 HydrophobicContact CG1-CB 4.46Å; I379-K433 HydrophobicContact CG2-CB 4.33Å; I379-Q437 HydrophobicContact CG2-CG 3.53Å |
| 380 | R | 95.1 | Very high | 92.8 | Very high | 108 Ų | 108 | 35.9 Ų | 35.9 | 41% | 0.408 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -61.6 | -43.2 | 175.1 | -177.3 | 178.5 | 67.4 | -170.6 | 7.5 | 112.1 | E314 E376 A377 V378 G383 S384 | E314-R380 IonicContact OE1-NH2 2.78Å; E314-R380 PolarHBondContact OE1-NH2 3.18Å; E314-R380 IonicContact OE2-CZ 2.79Å; E314-R380 IonicContact OE2-NH2 3.22Å; E314-R380 PolarHBondContact OE2-NH2 3.1Å; E376-R380 WeakPolarHBondContact O-CB 3.48Å; E376-R380 PolarHBondContact O-N 2.73Å; A377-R380 PolarHBondContact O-N 3.35Å; V378-R380 VanDerWaalsContact C-N 3.3Å; V378-R380 PolarHBondContact O-N 2.94Å; R380-G383 PolarHBondContact O-N 3.11Å; R380-S384 PolarHBondContact O-N 3Å |
| 381 | T | 94.6 | Very high | 92.6 | Very high | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.018 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.4 | -41.4 | 177.1 | -58.7 | 0 | 0 | 0 | 0 | 112.2 | V313 L317 L339 A377 V378 G383 S384 F385 | V313-T381 VanDerWaalsContact CG1-OG1 3.29Å; V313-T381 WeakPolarHBondContact CG1-OG1 3.3Å; L317-T381 HydrophobicContact CB-CG2 4.15Å; L339-T381 HydrophobicContact CD1-CG2 3.92Å; A377-T381 PolarHBondContact O-N 3.28Å; A377-T381 PolarHBondContact O-OG1 3.03Å; V378-T381 PolarHBondContact O-N 2.59Å; V378-T381 VanDerWaalsContact O-N 3.17Å; T381-G383 VanDerWaalsContact C-N 3.35Å; T381-G383 PolarHBondContact O-N 2.98Å; T381-S384 PolarHBondContact O-N 3.01Å; T381-F385 WeakPolarHBondContact O-CB 3.09Å; T381-F385 PolarHBondContact O-N 3.21Å |
| 382 | I | 95.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.2 | -48.6 | 173 | -72.8 | 170.9 | 0 | 0 | 0 | 110.5 | F336 L339 L340 L343 V378 I379 F385 A386 I401 V438 | F336-I382 HydrophobicContact CD1-CB 4.46Å; F336-I382 HydrophobicContact CD1-CG1 4.26Å; F336-I382 HydrophobicContact CD1-CG2 3.93Å; F336-I382 HydrophobicContact CE1-CB 4.29Å; F336-I382 HydrophobicContact CE1-CG2 3.72Å; L339-I382 HydrophobicContact CB-CD1 4.06Å; L339-I382 HydrophobicContact CB-CG1 3.9Å; L339-I382 HydrophobicContact CD1-CG1 3.76Å; L339-I382 HydrophobicContact CG-CG1 4.49Å; L340-I382 HydrophobicContact CD2-CD1 3.72Å; L340-I382 HydrophobicContact CG-CD1 4.38Å; L343-I382 HydrophobicContact CD1-CD1 3.92Å; V378-I382 HydrophobicContact CG1-CD1 4.09Å; V378-I382 HydrophobicContact CG1-CG1 4.49Å; V378-I382 WeakPolarHBondContact O-CG1 3.49Å; V378-I382 PolarHBondContact O-N 3.09Å; I379-I382 WeakPolarHBondContact O-CB 3.22Å; I379-I382 PolarHBondContact O-N 3.05Å; I382-F385 PolarHBondContact O-N 2.92Å; I382-A386 WeakPolarHBondContact O-CB 3.34Å; I382-A386 PolarHBondContact O-N 3.16Å; I382-I401 HydrophobicContact CG2-CD1 4.35Å; I382-V438 HydrophobicContact CG2-CG2 3.65Å |
| 383 | G | 93.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.5 | -50.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | I379 R380 T381 F385 A386 N387 | I379-G383 PolarHBondContact O-N 2.75Å; R380-G383 PolarHBondContact O-N 3.11Å; T381-G383 VanDerWaalsContact C-N 3.35Å; T381-G383 PolarHBondContact O-N 2.98Å; G383-F385 VanDerWaalsContact C-N 3.32Å; G383-F385 PolarHBondContact O-N 3.45Å; G383-A386 PolarHBondContact O-N 3.39Å; G383-N387 VanDerWaalsContact O-CG 3.32Å; G383-N387 PolarHBondContact O-N 3.4Å; G383-N387 PolarHBondContact O-ND2 3.26Å |
| 384 | S | 91.3 | Very high | 91.9 | Very high | 41 Ų | 41 | 35.2 Ų | 35.2 | 29% | 0.287 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -60.3 | -42.6 | 178.9 | -171.2 | 0 | 0 | 0 | 0 | 111.7 | L317 R380 T381 N387 T388 | L317-S384 WeakPolarHBondContact CD1-OG 3.38Å; R380-S384 PolarHBondContact O-N 3Å; T381-S384 PolarHBondContact O-N 3.01Å; S384-N387 PolarHBondContact O-N 3.32Å; S384-T388 WeakPolarHBondContact O-CG2 3.44Å |
| 385 | F | 90.1 | Very high | 91.7 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 1% | 0.013 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.9 | -47.6 | 177.4 | -163.8 | -83.3 | 0 | 0 | 0 | 110.8 | A320 V328 V332 V335 F336 T381 I382 G383 N387 T388 L389 | A320-F385 HydrophobicContact CB-CD2 3.54Å; A320-F385 HydrophobicContact CB-CE2 4Å; V328-F385 HydrophobicContact CG1-CE1 4.07Å; V328-F385 HydrophobicContact CG1-CE2 3.78Å; V328-F385 HydrophobicContact CG1-CZ 3.23Å; V332-F385 HydrophobicContact CB-CE1 4.39Å; V332-F385 HydrophobicContact CG1-CE1 4.23Å; V332-F385 HydrophobicContact CG2-CE1 4.23Å; V335-F385 HydrophobicContact CB-CE1 4.38Å; V335-F385 HydrophobicContact CB-CE2 4.26Å; V335-F385 HydrophobicContact CB-CZ 4.04Å; V335-F385 HydrophobicContact CG1-CD1 4.44Å; V335-F385 HydrophobicContact CG1-CD2 3.92Å; V335-F385 HydrophobicContact CG1-CE1 4.37Å; V335-F385 HydrophobicContact CG1-CE2 3.88Å; V335-F385 HydrophobicContact CG1-CG 4.2Å; V335-F385 HydrophobicContact CG1-CZ 4.08Å; V335-F385 HydrophobicContact CG2-CE2 3.85Å; V335-F385 HydrophobicContact CG2-CZ 3.72Å; F336-F385 HydrophobicContact CE1-CD1 4.45Å; F336-F385 AromaticContact CE2-CD1 3.55Å; F336-F385 HydrophobicContact CE2-CD1 3.55Å; F336-F385 AromaticContact CE2-CE1 3.88Å; F336-F385 HydrophobicContact CE2-CE1 3.88Å; F336-F385 HydrophobicContact CZ-CB 4.24Å; F336-F385 AromaticContact CZ-CD1 3.51Å; F336-F385 HydrophobicContact CZ-CD1 3.51Å; F336-F385 HydrophobicContact CZ-CE1 4.31Å; F336-F385 HydrophobicContact CZ-CG 4.28Å; T381-F385 WeakPolarHBondContact O-CB 3.09Å; T381-F385 PolarHBondContact O-N 3.21Å; I382-F385 PolarHBondContact O-N 2.92Å; G383-F385 VanDerWaalsContact C-N 3.32Å; G383-F385 PolarHBondContact O-N 3.45Å; F385-N387 VanDerWaalsContact C-N 3.29Å; F385-N387 PolarHBondContact O-N 2.94Å; F385-T388 PolarHBondContact O-N 2.66Å; F385-T388 VanDerWaalsContact O-N 3.08Å; F385-T388 PolarHBondContact O-OG1 3.31Å; F385-L389 HydrophobicContact CD1-CD1 4.16Å; F385-L389 HydrophobicContact CD1-CD2 4.45Å; F385-L389 HydrophobicContact CD1-CG 4.4Å; F385-L389 HydrophobicContact CE1-CD1 4.27Å; F385-L389 HydrophobicContact CE1-CD2 4.1Å; F385-L389 HydrophobicContact CE1-CG 4.5Å |
| 386 | A | 91.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59 | -38.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | F336 I382 G383 T388 L389 R394 V438 | F336-A386 HydrophobicContact CE1-CB 4.37Å; F336-A386 HydrophobicContact CZ-CB 4.04Å; I382-A386 WeakPolarHBondContact O-CB 3.34Å; I382-A386 PolarHBondContact O-N 3.16Å; G383-A386 PolarHBondContact O-N 3.39Å; A386-T388 PolarHBondContact O-N 2.94Å; A386-L389 WeakPolarHBondContact O-CB 3.45Å; A386-L389 PolarHBondContact O-N 2.86Å; A386-R394 WeakPolarHBondContact O-CD 3.32Å; A386-R394 WeakPolarHBondContact O-CG 3.47Å; A386-V438 HydrophobicContact CB-CB 4.13Å; A386-V438 HydrophobicContact CB-CG1 3.97Å; A386-V438 HydrophobicContact CB-CG2 3.79Å |
| 387 | N | 88.6 | Confident | 91.4 | Very high | 79 Ų | 79 | 36.1 Ų | 36.1 | 42% | 0.422 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -67.6 | -16.5 | 179 | -72.8 | -24.2 | 0 | 0 | 0 | 114.1 | G383 S384 F385 T440 | G383-N387 VanDerWaalsContact O-CG 3.32Å; G383-N387 PolarHBondContact O-N 3.4Å; G383-N387 PolarHBondContact O-ND2 3.26Å; S384-N387 PolarHBondContact O-N 3.32Å; F385-N387 VanDerWaalsContact C-N 3.29Å; F385-N387 PolarHBondContact O-N 2.94Å; N387-T440 PolarHBondContact OD1-O 3.24Å |
| 388 | T | 86.2 | Confident | 91.3 | Very high | 48 Ų | 48 | 35.9 Ų | 35.9 | 29% | 0.294 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -13 | 173.4 | 67.3 | 0 | 0 | 0 | 0 | 113 | A324 S384 F385 A386 | A324-T388 HydrophobicContact CB-CG2 3.45Å; A324-T388 VanDerWaalsContact CB-CG2 3.45Å; S384-T388 WeakPolarHBondContact O-CG2 3.44Å; F385-T388 PolarHBondContact O-N 2.66Å; F385-T388 VanDerWaalsContact O-N 3.08Å; F385-T388 PolarHBondContact O-OG1 3.31Å; A386-T388 PolarHBondContact O-N 2.94Å |
| 389 | L | 87.3 | Confident | 91.1 | Very high | 16 Ų | 16 | 39.1 Ų | 39.1 | 8% | 0.084 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -88.8 | 148.2 | -175.9 | -56.4 | 175.3 | 0 | 0 | 0 | 111.6 | V332 F336 F385 A386 Q393 R394 V397 | V332-L389 HydrophobicContact CG1-CD1 3.67Å; V332-L389 HydrophobicContact CG1-CD2 4.33Å; V332-L389 HydrophobicContact CG2-CD2 3.86Å; F336-L389 HydrophobicContact CE2-CD1 3.86Å; F336-L389 HydrophobicContact CZ-CD1 4.14Å; F385-L389 HydrophobicContact CD1-CD1 4.16Å; F385-L389 HydrophobicContact CD1-CD2 4.45Å; F385-L389 HydrophobicContact CD1-CG 4.4Å; F385-L389 HydrophobicContact CE1-CD1 4.27Å; F385-L389 HydrophobicContact CE1-CD2 4.1Å; F385-L389 HydrophobicContact CE1-CG 4.5Å; A386-L389 WeakPolarHBondContact O-CB 3.45Å; A386-L389 PolarHBondContact O-N 2.86Å; L389-Q393 HydrophobicContact CB-CB 4.08Å; L389-Q393 HydrophobicContact CD1-CB 4.37Å; L389-R394 HydrophobicContact CB-CG 4.08Å; L389-V397 HydrophobicContact CD1-CG2 4.1Å |
| 390 | P | 87.7 | Confident | 90.9 | Very high | 61 Ų | 61 | 41.2 Ų | 41.2 | 40% | 0.396 | 21% | 0.207 | S | C | . | . | trans | -57.1 | 154.8 | 165.7 | -23.1 | 33.7 | 0 | 0 | 0 | 112.6 | Y392 Q393 R394 | P390-Y392 VanDerWaalsContact C-N 3.29Å; P390-Y392 HydrophobicContact CB-CD1 3.65Å; P390-Y392 HydrophobicContact CB-CE1 3.35Å; P390-Y392 HydrophobicContact CG-CE1 3.85Å; P390-Y392 PolarHBondContact O-N 3.27Å; P390-Q393 PolarHBondContact O-N 2.99Å; P390-Q393 VanDerWaalsContact O-N 3.11Å; P390-R394 PolarHBondContact O-N 3.28Å | ||
| 391 | T | 86.7 | Confident | 90.9 | Very high | 62 Ų | 62 | 36 Ų | 36 | 38% | 0.38 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -53.2 | -41 | -176.8 | -49.4 | 0 | 0 | 0 | 0 | 113.5 | R394 S395 F442 | T391-R394 WeakPolarHBondContact O-CB 3.28Å; T391-R394 PolarHBondContact O-N 2.98Å; T391-S395 PolarHBondContact O-N 3.29Å; T391-S395 PolarHBondContact O-OG 3.24Å; T391-F442 HydrophobicContact CG2-CE1 3.83Å; T391-F442 HydrophobicContact CG2-CE2 3.75Å; T391-F442 HydrophobicContact CG2-CZ 3.34Å |
| 392 | Y | 86.5 | Confident | 90.9 | Very high | 144 Ų | 144 | 36.4 Ų | 36.4 | 57% | 0.565 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -65.3 | -41.2 | -179.6 | 71.4 | -88.6 | 0 | 0 | 0 | 112.6 | P390 S395 E396 | P390-Y392 VanDerWaalsContact C-N 3.29Å; P390-Y392 HydrophobicContact CB-CD1 3.65Å; P390-Y392 HydrophobicContact CB-CE1 3.35Å; P390-Y392 HydrophobicContact CG-CE1 3.85Å; P390-Y392 PolarHBondContact O-N 3.27Å; Y392-S395 WeakPolarHBondContact O-CB 3.37Å; Y392-S395 PolarHBondContact O-N 3.44Å; Y392-E396 PolarHBondContact O-N 3.06Å; Y392-E396 VanDerWaalsContact O-N 3.1Å |
| 393 | Q | 89.3 | Confident | 90.7 | Very high | 32 Ų | 32 | 39.7 Ų | 39.7 | 15% | 0.15 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.5 | -36.6 | 174.1 | -83.5 | 175.1 | -9 | 0 | 0 | 111.6 | L389 P390 S395 E396 V397 | L389-Q393 HydrophobicContact CB-CB 4.08Å; L389-Q393 HydrophobicContact CD1-CB 4.37Å; P390-Q393 PolarHBondContact O-N 2.99Å; P390-Q393 VanDerWaalsContact O-N 3.11Å; Q393-S395 VanDerWaalsContact C-N 3.31Å; Q393-S395 PolarHBondContact O-N 2.87Å; Q393-E396 PolarHBondContact O-N 3.34Å; Q393-V397 VanDerWaalsContact O-CG2 3.27Å; Q393-V397 WeakPolarHBondContact O-CG2 3.3Å; Q393-V397 PolarHBondContact O-N 2.91Å |
| 394 | R | 90.2 | Very high | 90.6 | Very high | 16 Ų | 16 | 43.8 Ų | 43.8 | 6% | 0.06 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.1 | -43.1 | 171.2 | -77.7 | 176.8 | 71.9 | 176.1 | 2.7 | 111.3 | A386 L389 P390 T391 E396 V397 M398 V438 T440 G441 F442 | A386-R394 WeakPolarHBondContact O-CD 3.32Å; A386-R394 WeakPolarHBondContact O-CG 3.47Å; L389-R394 HydrophobicContact CB-CG 4.08Å; P390-R394 PolarHBondContact O-N 3.28Å; T391-R394 WeakPolarHBondContact O-CB 3.28Å; T391-R394 PolarHBondContact O-N 2.98Å; R394-E396 PolarHBondContact O-N 3.31Å; R394-V397 PolarHBondContact O-N 2.89Å; R394-M398 VanDerWaalsContact O-CG 3.26Å; R394-M398 WeakPolarHBondContact O-CG 3.31Å; R394-M398 PolarHBondContact O-N 3.49Å; R394-V438 PolarHBondContact NE-O 3.46Å; R394-V438 VanDerWaalsContact NE-O 3.14Å; R394-V438 PolarHBondContact NH2-O 2.75Å; R394-T440 PolarHBondContact NH2-O 3.12Å; R394-G441 PolarHBondContact NH1-O 3.02Å; R394-G441 VanDerWaalsContact NH1-O 3.07Å; R394-F442 HydrophobicContact CB-CD2 4.05Å; R394-F442 HydrophobicContact CB-CE2 3.77Å |
| 395 | S | 90.6 | Very high | 90.5 | Very high | 26 Ų | 26 | 42 Ų | 42 | 18% | 0.182 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.8 | -42 | 175.5 | -61.4 | 0 | 0 | 0 | 0 | 112.5 | T391 Y392 Q393 M398 L399 F442 | T391-S395 PolarHBondContact O-N 3.29Å; T391-S395 PolarHBondContact O-OG 3.24Å; Y392-S395 WeakPolarHBondContact O-CB 3.37Å; Y392-S395 PolarHBondContact O-N 3.44Å; Q393-S395 VanDerWaalsContact C-N 3.31Å; Q393-S395 PolarHBondContact O-N 2.87Å; S395-M398 WeakPolarHBondContact O-CB 3.17Å; S395-M398 PolarHBondContact O-N 3.38Å; S395-L399 PolarHBondContact O-N 3.32Å; S395-F442 WeakPolarHBondContact OG-CZ 3.35Å |
| 396 | E | 91.3 | Very high | 90.2 | Very high | 107 Ų | 107 | 42.7 Ų | 42.7 | 50% | 0.5 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62 | -42.3 | 174.3 | -70.3 | 179.8 | 171.4 | 0 | 0 | 111.9 | Y392 Q393 R394 L399 F400 | Y392-E396 PolarHBondContact O-N 3.06Å; Y392-E396 VanDerWaalsContact O-N 3.1Å; Q393-E396 PolarHBondContact O-N 3.34Å; R394-E396 PolarHBondContact O-N 3.31Å; E396-L399 PolarHBondContact O-N 3Å; E396-F400 VanDerWaalsContact O-CB 3.3Å; E396-F400 WeakPolarHBondContact O-CB 3.49Å; E396-F400 PolarHBondContact O-N 3.41Å |
| 397 | V | 93.3 | Very high | 89.2 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.5 | -39.8 | 176.1 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | V332 F336 L389 Q393 R394 F400 I401 V438 | V332-V397 HydrophobicContact CG1-CG2 3.99Å; F336-V397 HydrophobicContact CD1-CG1 3.79Å; F336-V397 HydrophobicContact CD2-CB 4.35Å; F336-V397 HydrophobicContact CD2-CG1 3.78Å; F336-V397 HydrophobicContact CD2-CG2 3.56Å; F336-V397 HydrophobicContact CE1-CG1 3.66Å; F336-V397 HydrophobicContact CE2-CB 4.16Å; F336-V397 HydrophobicContact CE2-CG1 3.68Å; F336-V397 HydrophobicContact CE2-CG2 3.31Å; F336-V397 HydrophobicContact CG-CG1 3.86Å; F336-V397 HydrophobicContact CG-CG2 4.43Å; F336-V397 HydrophobicContact CZ-CB 4.41Å; F336-V397 HydrophobicContact CZ-CG1 3.61Å; F336-V397 HydrophobicContact CZ-CG2 3.98Å; L389-V397 HydrophobicContact CD1-CG2 4.1Å; Q393-V397 VanDerWaalsContact O-CG2 3.27Å; Q393-V397 WeakPolarHBondContact O-CG2 3.3Å; Q393-V397 PolarHBondContact O-N 2.91Å; R394-V397 PolarHBondContact O-N 2.89Å; V397-F400 PolarHBondContact O-N 2.85Å; V397-I401 HydrophobicContact CG1-CD1 3.88Å; V397-I401 HydrophobicContact CG1-CG1 4.38Å; V397-I401 WeakPolarHBondContact O-CG1 3.43Å; V397-I401 PolarHBondContact O-N 2.91Å; V397-V438 HydrophobicContact CG1-CG1 4.08Å; V397-V438 HydrophobicContact CG1-CG2 4.13Å |
| 398 | M | 94.3 | Very high | 87.7 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.1 | -50.6 | 174.7 | -71 | 165.1 | 53.5 | 0 | 0 | 111.1 | R394 S395 F400 I401 M402 L435 V438 T439 F442 F455 L481 | R394-M398 VanDerWaalsContact O-CG 3.26Å; R394-M398 WeakPolarHBondContact O-CG 3.31Å; R394-M398 PolarHBondContact O-N 3.49Å; S395-M398 WeakPolarHBondContact O-CB 3.17Å; S395-M398 PolarHBondContact O-N 3.38Å; M398-F400 VanDerWaalsContact C-N 3.31Å; M398-F400 PolarHBondContact O-N 3.36Å; M398-I401 PolarHBondContact O-N 3.46Å; M398-M402 VanDerWaalsContact O-CB 3.28Å; M398-M402 WeakPolarHBondContact O-CB 3.45Å; M398-M402 PolarHBondContact O-N 3.24Å; M398-L435 HydrophobicContact CB-CD1 3.9Å; M398-L435 HydrophobicContact CG-CD1 3.87Å; M398-V438 HydrophobicContact CG-CG1 3.62Å; M398-T439 HydrophobicContact CE-CG2 3.91Å; M398-T439 HydrophobicContact CG-CG2 4.2Å; M398-T439 HydrophobicContact SD-CG2 3.99Å; M398-F442 HydrophobicContact SD-CD2 3.98Å; M398-F442 HydrophobicContact SD-CE2 3.75Å; M398-F442 HydrophobicContact SD-CZ 4.36Å; M398-F455 HydrophobicContact CB-CD2 4.49Å; M398-F455 HydrophobicContact CB-CE2 3.87Å; M398-F455 HydrophobicContact CB-CZ 4.28Å; M398-F455 HydrophobicContact CE-CD1 4.46Å; M398-F455 HydrophobicContact CE-CE1 3.78Å; M398-F455 HydrophobicContact CE-CE2 4.22Å; M398-F455 HydrophobicContact CE-CZ 3.64Å; M398-L481 HydrophobicContact CE-CD1 3.6Å; M398-L481 HydrophobicContact CE-CD2 3.64Å; M398-L481 HydrophobicContact CE-CG 4.26Å; M398-L481 HydrophobicContact SD-CD2 4.21Å |
| 399 | L | 92.7 | Very high | 86.1 | Confident | 68 Ų | 68 | 44.7 Ų | 44.7 | 36% | 0.356 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.9 | -41.5 | 175.6 | -76 | 167.9 | 0 | 0 | 0 | 111.8 | S395 E396 M402 G403 P452 F455 | S395-L399 PolarHBondContact O-N 3.32Å; E396-L399 PolarHBondContact O-N 3Å; L399-M402 PolarHBondContact O-N 3.16Å; L399-G403 PolarHBondContact O-N 3.48Å; L399-P452 HydrophobicContact CD2-CG 4.41Å; L399-F455 HydrophobicContact CD2-CB 3.76Å; L399-F455 HydrophobicContact CD2-CD2 4.22Å; L399-F455 HydrophobicContact CD2-CG 4.44Å |
| 400 | F | 94.3 | Very high | 84.3 | Confident | 48 Ų | 48 | 49.2 Ų | 49.2 | 21% | 0.211 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.7 | -48.5 | 178.3 | 179.7 | -101.3 | 0 | 0 | 0 | 112.2 | L333 F336 N337 L340 E396 V397 M398 M402 G403 K404 | L333-F400 HydrophobicContact CD2-CB 4.17Å; L333-F400 HydrophobicContact CD2-CD1 4.44Å; L333-F400 HydrophobicContact CD2-CD2 4.3Å; L333-F400 HydrophobicContact CD2-CG 4.06Å; F336-F400 HydrophobicContact CB-CD1 4.35Å; F336-F400 HydrophobicContact CB-CE1 4.26Å; N337-F400 HydrophobicContact CB-CE1 4.12Å; N337-F400 HydrophobicContact CB-CZ 3.79Å; L340-F400 HydrophobicContact CD1-CD1 4.18Å; L340-F400 HydrophobicContact CD1-CE1 3.88Å; E396-F400 VanDerWaalsContact O-CB 3.3Å; E396-F400 WeakPolarHBondContact O-CB 3.49Å; E396-F400 PolarHBondContact O-N 3.41Å; V397-F400 PolarHBondContact O-N 2.85Å; M398-F400 VanDerWaalsContact C-N 3.31Å; M398-F400 PolarHBondContact O-N 3.36Å; F400-M402 VanDerWaalsContact C-N 3.32Å; F400-M402 PolarHBondContact O-N 2.77Å; F400-G403 PolarHBondContact O-N 3.45Å; F400-K404 VanDerWaalsContact O-CG 3.3Å; F400-K404 WeakPolarHBondContact O-CG 3.48Å; F400-K404 PolarHBondContact O-N 2.98Å |
| 401 | I | 95.3 | Very high | 82 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.9 | -44.8 | 176 | -67.7 | 168.5 | 0 | 0 | 0 | 109.6 | L340 I382 V397 M398 G403 K404 I405 L435 V438 | L340-I401 HydrophobicContact CD1-CG1 3.84Å; L340-I401 HydrophobicContact CD2-CG1 4.24Å; I382-I401 HydrophobicContact CG2-CD1 4.35Å; V397-I401 HydrophobicContact CG1-CD1 3.88Å; V397-I401 HydrophobicContact CG1-CG1 4.38Å; V397-I401 WeakPolarHBondContact O-CG1 3.43Å; V397-I401 PolarHBondContact O-N 2.91Å; M398-I401 PolarHBondContact O-N 3.46Å; I401-G403 VanDerWaalsContact C-N 3.34Å; I401-G403 PolarHBondContact O-N 3.39Å; I401-K404 WeakPolarHBondContact O-CB 3.45Å; I401-K404 PolarHBondContact O-N 3.46Å; I401-I405 WeakPolarHBondContact O-CG1 3.43Å; I401-I405 PolarHBondContact O-N 3.3Å; I401-L435 HydrophobicContact CB-CD1 4.49Å; I401-L435 HydrophobicContact CG2-CB 4.12Å; I401-V438 HydrophobicContact CD1-CG2 3.64Å |
| 402 | M | 92.6 | Very high | 80 | Confident | 10 Ų | 10 | 51.5 Ų | 51.5 | 5% | 0.049 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.8 | -44.7 | -179.4 | -163.9 | 61.5 | -164.5 | 0 | 0 | 112.1 | M398 L399 F400 K404 I405 L435 F455 P458 L459 F462 | M398-M402 VanDerWaalsContact O-CB 3.28Å; M398-M402 WeakPolarHBondContact O-CB 3.45Å; M398-M402 PolarHBondContact O-N 3.24Å; L399-M402 PolarHBondContact O-N 3.16Å; F400-M402 VanDerWaalsContact C-N 3.32Å; F400-M402 PolarHBondContact O-N 2.77Å; M402-K404 PolarHBondContact O-N 2.87Å; M402-K404 VanDerWaalsContact O-N 3.15Å; M402-I405 PolarHBondContact O-N 3.3Å; M402-I405 VanDerWaalsContact O-N 3.11Å; M402-I405 HydrophobicContact SD-CD1 3.74Å; M402-I405 HydrophobicContact SD-CG1 4.48Å; M402-L435 HydrophobicContact SD-CD2 3.94Å; M402-F455 HydrophobicContact CB-CD2 3.83Å; M402-F455 HydrophobicContact CB-CE2 3.86Å; M402-F455 HydrophobicContact CG-CD2 3.91Å; M402-F455 HydrophobicContact CG-CE2 4.07Å; M402-F455 HydrophobicContact SD-CE2 4.38Å; M402-P458 HydrophobicContact CE-CB 3.51Å; M402-P458 HydrophobicContact CG-CB 4.42Å; M402-L459 VanDerWaalsContact CE-CA 3.46Å; M402-L459 HydrophobicContact CE-CB 4.03Å; M402-L459 HydrophobicContact CE-CD1 4.46Å; M402-L459 VanDerWaalsContact CE-N 3.28Å; M402-F462 HydrophobicContact CE-CD2 3.57Å; M402-F462 HydrophobicContact CE-CE2 3.64Å |
| 403 | G | 91.3 | Very high | 77.9 | Confident | 70 Ų | 70 | 52 Ų | 52 | 72% | 0.722 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -65.5 | -13.2 | 176 | 0 | 0 | 0 | 0 | 0 | 114.6 | L399 F400 I401 | L399-G403 PolarHBondContact O-N 3.48Å; F400-G403 PolarHBondContact O-N 3.45Å; I401-G403 VanDerWaalsContact C-N 3.34Å; I401-G403 PolarHBondContact O-N 3.39Å |
| 404 | K | 91.6 | Very high | 75.7 | Confident | 85 Ų | 85 | 53.6 Ų | 53.6 | 37% | 0.37 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -93.6 | -17.5 | 175.2 | -63.8 | -74.2 | -180 | 170 | 0 | 112.3 | R344 F400 I401 M402 P406 | R344-K404 PolarHBondContact NH2-O 2.97Å; F400-K404 VanDerWaalsContact O-CG 3.3Å; F400-K404 WeakPolarHBondContact O-CG 3.48Å; F400-K404 PolarHBondContact O-N 2.98Å; I401-K404 WeakPolarHBondContact O-CB 3.45Å; I401-K404 PolarHBondContact O-N 3.46Å; M402-K404 PolarHBondContact O-N 2.87Å; M402-K404 VanDerWaalsContact O-N 3.15Å; K404-P406 WeakPolarHBondContact O-CD 3.32Å |
| 405 | I | 89.6 | Confident | 73.5 | Confident | 5 Ų | 5 | 56.4 Ų | 56.4 | 3% | 0.026 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -67.4 | 123.8 | -176.7 | -50.5 | -171.4 | 0 | 0 | 0 | 109.5 | I401 M402 V407 Q428 L431 L432 F462 | I401-I405 WeakPolarHBondContact O-CG1 3.43Å; I401-I405 PolarHBondContact O-N 3.3Å; M402-I405 PolarHBondContact O-N 3.3Å; M402-I405 VanDerWaalsContact O-N 3.11Å; M402-I405 HydrophobicContact SD-CD1 3.74Å; M402-I405 HydrophobicContact SD-CG1 4.48Å; I405-V407 PolarHBondContact O-N 2.95Å; I405-V407 VanDerWaalsContact O-N 3.14Å; I405-Q428 HydrophobicContact CG2-CB 4.4Å; I405-Q428 HydrophobicContact CG2-CG 4.03Å; I405-L431 HydrophobicContact CB-CD1 4.43Å; I405-L431 HydrophobicContact CD1-CB 4.27Å; I405-L431 HydrophobicContact CG1-CB 3.9Å; I405-L431 HydrophobicContact CG1-CD1 4.2Å; I405-L432 HydrophobicContact CD1-CD2 3.67Å; I405-L432 HydrophobicContact CD1-CG 4Å; I405-F462 HydrophobicContact CB-CE2 4.28Å; I405-F462 HydrophobicContact CB-CZ 3.92Å; I405-F462 HydrophobicContact CG2-CD1 4.39Å; I405-F462 HydrophobicContact CG2-CE1 3.56Å; I405-F462 HydrophobicContact CG2-CE2 4.02Å; I405-F462 HydrophobicContact CG2-CZ 3.35Å |
| 406 | P | 83 | Confident | 71.4 | Confident | 16 Ų | 16 | 61.6 Ų | 61.6 | 10% | 0.104 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 119.4 | 178.1 | -22.4 | 32.9 | 0 | 0 | 0 | 111.2 | K404 T424 I427 Q428 F462 | K404-P406 WeakPolarHBondContact O-CD 3.32Å; P406-T424 HydrophobicContact CB-CG2 3.81Å; P406-T424 HydrophobicContact CG-CG2 4.39Å; P406-I427 HydrophobicContact CG-CG2 3.89Å; P406-Q428 PolarHBondContact O-NE2 3.32Å; P406-F462 WeakPolarHBondContact O-CE1 3.45Å |
| 407 | V | 71.8 | Confident | 69.4 | Low | 54 Ų | 54 | 64 Ų | 64 | 33% | 0.327 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -82.8 | 131.3 | 177.9 | -174.4 | 0 | 0 | 0 | 0 | 109.8 | I405 G409 V410 F462 | I405-V407 PolarHBondContact O-N 2.95Å; I405-V407 VanDerWaalsContact O-N 3.14Å; V407-G409 PolarHBondContact O-N 3.22Å; V407-V410 HydrophobicContact CB-CB 4.3Å; V407-V410 HydrophobicContact CB-CG2 4.21Å; V407-V410 HydrophobicContact CG1-CG2 3.96Å; V407-F462 HydrophobicContact CG2-CZ 4.31Å |
| 408 | P | 56 | Low | 67.5 | Low | 52 Ų | 52 | 69.3 Ų | 69.3 | 34% | 0.338 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 124.2 | 172.1 | -20 | 31 | 0 | 0 | 0 | 110.9 | I465 | P408-I465 HydrophobicContact CG-CD1 3.57Å; P408-I465 HydrophobicContact CG-CG1 4.16Å |
| 409 | G | 52.9 | Low | 66 | Low | 63 Ų | 63 | 74.3 Ų | 74.3 | 65% | 0.649 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.5 | -11.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | V407 | V407-G409 PolarHBondContact O-N 3.22Š|
| 410 | V | 49.9 | Very low | 64.9 | Low | 112 Ų | 112 | 72.9 Ų | 72.9 | 68% | 0.679 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -35.2 | 177.1 | -179 | 0 | 0 | 0 | 0 | 112.2 | V407 | V407-V410 HydrophobicContact CB-CB 4.3Å; V407-V410 HydrophobicContact CB-CG2 4.21Å; V407-V410 HydrophobicContact CG1-CG2 3.96Å |
| 411 | N | 39.7 | Very low | 64.2 | Low | 119 Ų | 119 | 73.1 Ų | 73.1 | 64% | 0.636 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -105.1 | 1.8 | -177 | -68 | -26.1 | 0 | 0 | 0 | 114.1 | ||
| 412 | L | 43.8 | Very low | 63.5 | Low | 52 Ų | 52 | 79.8 Ų | 79.8 | 27% | 0.272 | 48% | 0.482 | S | S | . | . | trans | -125.8 | 115.6 | -174.7 | -72.1 | 166.2 | 0 | 0 | 0 | 107.5 | L414 | L412-L414 HydrophobicContact CB-CB 4.19Å; L412-L414 HydrophobicContact CB-CD1 3.81Å; L412-L414 HydrophobicContact CB-CG 3.86Å; L412-L414 HydrophobicContact CD1-CD1 3.89Å; L412-L414 HydrophobicContact CD2-CD1 3.86Å; L412-L414 HydrophobicContact CD2-CG 4.34Å; L412-L414 HydrophobicContact CG-CD1 4.04Å; L412-L414 PolarHBondContact O-N 2.96Å | ||
| 413 | T | 41.8 | Very low | 63.1 | Low | 154 Ų | 154 | 80 Ų | 80 | 95% | 0.945 | 49% | 0.487 | S | S | * | . | trans | -69.4 | 41.1 | 165.8 | 50.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 414 | L | 43.1 | Very low | 62.8 | Low | 65 Ų | 65 | 78.1 Ų | 78.1 | 34% | 0.34 | 46% | 0.461 | S | S | . | . | trans | -95.9 | 140.1 | -178.6 | -65.7 | 173.5 | 0 | 0 | 0 | 109.2 | L412 E418 P421 | L412-L414 HydrophobicContact CB-CB 4.19Å; L412-L414 HydrophobicContact CB-CD1 3.81Å; L412-L414 HydrophobicContact CB-CG 3.86Å; L412-L414 HydrophobicContact CD1-CD1 3.89Å; L412-L414 HydrophobicContact CD2-CD1 3.86Å; L412-L414 HydrophobicContact CD2-CG 4.34Å; L412-L414 HydrophobicContact CG-CD1 4.04Å; L412-L414 PolarHBondContact O-N 2.96Å; L414-E418 VanDerWaalsContact CD2-OE2 3.3Å; L414-E418 WeakPolarHBondContact CD2-OE2 3.47Å; L414-P421 HydrophobicContact CD1-CG 4.23Å | ||
| 415 | P | 44.4 | Very low | 62.6 | Low | 76 Ų | 76 | 77.7 Ų | 77.7 | 49% | 0.494 | 46% | 0.457 | S | S | . | . | trans | -57.9 | 154.8 | 173.5 | -11.6 | 20.9 | 0 | 0 | 0 | 111.4 | N417 E418 | P415-N417 PolarHBondContact O-N 3.37Å; P415-E418 PolarHBondContact O-N 2.99Å | ||
| 416 | P | 46 | Very low | 62.6 | Low | 135 Ų | 135 | 78.8 Ų | 78.8 | 88% | 0.877 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -9 | -174.5 | -24 | 32.1 | 0 | 0 | 0 | 117 | ||
| 417 | N | 50.3 | Low | 63 | Low | 158 Ų | 158 | 78.9 Ų | 78.9 | 85% | 0.845 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.1 | 4.3 | -171.1 | -71.4 | -14.5 | 0 | 0 | 0 | 114.3 | P415 | P415-N417 PolarHBondContact O-N 3.37Š|
| 418 | E | 54 | Low | 64 | Low | 111 Ų | 111 | 76.4 Ų | 76.4 | 52% | 0.519 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -84.6 | 137.3 | 176.1 | -78.5 | -165.8 | 173.8 | 0 | 0 | 112.3 | L414 P415 V420 | L414-E418 VanDerWaalsContact CD2-OE2 3.3Å; L414-E418 WeakPolarHBondContact CD2-OE2 3.47Å; P415-E418 PolarHBondContact O-N 2.99Å; E418-V420 PolarHBondContact O-N 2.92Å |
| 419 | P | 62.4 | Low | 65.8 | Low | 108 Ų | 108 | 74.5 Ų | 74.5 | 70% | 0.701 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 130.5 | 178.2 | 24.9 | -31.8 | 0 | 0 | 0 | 110.3 | ||
| 420 | V | 68.8 | Low | 67.8 | Low | 37 Ų | 37 | 72.5 Ų | 72.5 | 22% | 0.224 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -50.2 | 126.8 | 176.1 | 178.2 | 0 | 0 | 0 | 0 | 109.4 | E418 Q422 T424 | E418-V420 PolarHBondContact O-N 2.92Å; V420-Q422 PolarHBondContact O-N 2.97Å; V420-T424 HydrophobicContact CG1-CG2 3.93Å |
| 421 | P | 79.7 | Confident | 70 | Confident | 53 Ų | 53 | 67.2 Ų | 67.2 | 34% | 0.344 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -51.9 | 139.2 | -179.6 | -27.5 | 33.7 | 0 | 0 | 0 | 111.8 | L414 G423 T424 R425 | L414-P421 HydrophobicContact CD1-CG 4.23Å; P421-G423 PolarHBondContact O-N 3.34Å; P421-T424 WeakPolarHBondContact O-CB 3.32Å; P421-T424 PolarHBondContact O-N 3.37Å; P421-T424 VanDerWaalsContact O-N 3.07Å; P421-R425 PolarHBondContact O-N 2.93Å; P421-R425 VanDerWaalsContact O-N 3.07Å |
| 422 | Q | 81.5 | Confident | 72.6 | Confident | 140 Ų | 140 | 61.5 Ų | 61.5 | 65% | 0.654 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -54.2 | -39.6 | -177.6 | -175.7 | 177.1 | -0.6 | 0 | 0 | 112.2 | L351 V420 R425 M426 | L351-Q422 HydrophobicContact CD2-CG 4.34Å; V420-Q422 PolarHBondContact O-N 2.97Å; Q422-R425 WeakPolarHBondContact O-CB 3.47Å; Q422-R425 PolarHBondContact O-N 3.39Å; Q422-M426 HydrophobicContact CG-SD 4.36Å; Q422-M426 WeakPolarHBondContact O-CG 3.36Å; Q422-M426 PolarHBondContact O-N 3.3Å |
| 423 | G | 82.8 | Confident | 75.2 | Confident | 16 Ų | 16 | 61.9 Ų | 61.9 | 17% | 0.165 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.6 | -44.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | P421 R425 M426 I427 | P421-G423 PolarHBondContact O-N 3.34Å; G423-R425 PolarHBondContact O-N 3.5Å; G423-M426 PolarHBondContact O-N 2.87Å; G423-I427 WeakPolarHBondContact O-CG1 3.41Å; G423-I427 PolarHBondContact O-N 3.19Å |
| 424 | T | 85.6 | Confident | 77.8 | Confident | 29 Ų | 29 | 54.6 Ų | 54.6 | 18% | 0.178 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58 | -40.5 | 174 | -54.6 | 0 | 0 | 0 | 0 | 111.2 | P406 V420 P421 I427 Q428 | P406-T424 HydrophobicContact CB-CG2 3.81Å; P406-T424 HydrophobicContact CG-CG2 4.39Å; V420-T424 HydrophobicContact CG1-CG2 3.93Å; P421-T424 WeakPolarHBondContact O-CB 3.32Å; P421-T424 PolarHBondContact O-N 3.37Å; P421-T424 VanDerWaalsContact O-N 3.07Å; T424-I427 PolarHBondContact O-N 3.26Å; T424-Q428 VanDerWaalsContact O-CG 3.29Å; T424-Q428 WeakPolarHBondContact O-CG 3.48Å; T424-Q428 PolarHBondContact O-N 2.83Å |
| 425 | R | 87.7 | Confident | 80.4 | Confident | 76 Ų | 76 | 51.5 Ų | 51.5 | 29% | 0.287 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.4 | -44.3 | 178.5 | -168.9 | 179.4 | -59.1 | -170.7 | 2.9 | 112.7 | P421 Q422 G423 I427 Q428 I429 H467 | P421-R425 PolarHBondContact O-N 2.93Å; P421-R425 VanDerWaalsContact O-N 3.07Å; Q422-R425 WeakPolarHBondContact O-CB 3.47Å; Q422-R425 PolarHBondContact O-N 3.39Å; G423-R425 PolarHBondContact O-N 3.5Å; R425-I427 VanDerWaalsContact C-N 3.32Å; R425-I427 PolarHBondContact O-N 3.45Å; R425-Q428 WeakPolarHBondContact O-CB 3.35Å; R425-Q428 PolarHBondContact O-N 2.86Å; R425-I429 HydrophobicContact CG-CD1 4.24Å; R425-I429 WeakPolarHBondContact O-CG1 3.2Å; R425-I429 PolarHBondContact O-N 3.28Å; R425-H467 VanDerWaalsContact CD-CD2 3.49Å; R425-H467 WeakPolarHBondContact CD-CD2 3.46Å; R425-H467 PolarHBondContact NH1-CD2 2.93Å |
| 426 | M | 90.1 | Very high | 82.9 | Confident | 28 Ų | 28 | 48.6 Ų | 48.6 | 14% | 0.138 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61 | -42.7 | 175.2 | -73.6 | 179.4 | 71.6 | 0 | 0 | 111.3 | V347 E350 L351 Q422 G423 Q428 I429 M430 | V347-M426 HydrophobicContact CG1-CB 3.52Å; V347-M426 HydrophobicContact CG1-CE 4.28Å; V347-M426 HydrophobicContact CG1-SD 4.34Å; V347-M426 HydrophobicContact CG2-CB 4.36Å; E350-M426 VanDerWaalsContact CD-CE 3.43Å; E350-M426 HydrophobicContact CG-CE 4.33Å; E350-M426 VanDerWaalsContact OE2-CE 3.25Å; E350-M426 WeakPolarHBondContact OE2-CE 3.09Å; L351-M426 HydrophobicContact CD1-SD 4.15Å; L351-M426 HydrophobicContact CD2-SD 3.8Å; L351-M426 HydrophobicContact CG-SD 4.09Å; Q422-M426 HydrophobicContact CG-SD 4.36Å; Q422-M426 WeakPolarHBondContact O-CG 3.36Å; Q422-M426 PolarHBondContact O-N 3.3Å; G423-M426 PolarHBondContact O-N 2.87Å; M426-Q428 PolarHBondContact O-N 3.38Å; M426-I429 PolarHBondContact O-N 2.83Å; M426-M430 WeakPolarHBondContact O-CG 3.46Å; M426-M430 PolarHBondContact O-N 3.31Å |
| 427 | I | 91.2 | Very high | 85.3 | Confident | 19 Ų | 19 | 45.3 Ų | 45.3 | 10% | 0.097 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.3 | -46.1 | 174.3 | -67.8 | 169.1 | 0 | 0 | 0 | 110.9 | R344 V347 P406 G423 T424 R425 I429 M430 L431 | R344-I427 HydrophobicContact CG-CD1 4.43Å; R344-I427 HydrophobicContact CG-CG1 4.45Å; R344-I427 HydrophobicContact CG-CG2 4.2Å; V347-I427 HydrophobicContact CB-CG1 4.23Å; V347-I427 HydrophobicContact CG1-CG1 3.96Å; P406-I427 HydrophobicContact CG-CG2 3.89Å; G423-I427 WeakPolarHBondContact O-CG1 3.41Å; G423-I427 PolarHBondContact O-N 3.19Å; T424-I427 PolarHBondContact O-N 3.26Å; R425-I427 VanDerWaalsContact C-N 3.32Å; R425-I427 PolarHBondContact O-N 3.45Å; I427-I429 VanDerWaalsContact C-N 3.32Å; I427-I429 PolarHBondContact O-N 3.48Å; I427-M430 PolarHBondContact O-N 2.87Å; I427-L431 HydrophobicContact CG2-CD1 3.62Å; I427-L431 HydrophobicContact CG2-CG 4.15Å; I427-L431 VanDerWaalsContact O-CG 3.24Å; I427-L431 WeakPolarHBondContact O-CG 3.49Å; I427-L431 PolarHBondContact O-N 2.91Å |
| 428 | Q | 91.4 | Very high | 87.4 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.6 | -47.3 | 175.7 | -73.9 | 168.3 | -19.6 | 0 | 0 | 111.4 | I405 P406 T424 R425 M426 L431 L432 F462 | I405-Q428 HydrophobicContact CG2-CB 4.4Å; I405-Q428 HydrophobicContact CG2-CG 4.03Å; P406-Q428 PolarHBondContact O-NE2 3.32Å; T424-Q428 VanDerWaalsContact O-CG 3.29Å; T424-Q428 WeakPolarHBondContact O-CG 3.48Å; T424-Q428 PolarHBondContact O-N 2.83Å; R425-Q428 WeakPolarHBondContact O-CB 3.35Å; R425-Q428 PolarHBondContact O-N 2.86Å; M426-Q428 PolarHBondContact O-N 3.38Å; Q428-L431 PolarHBondContact O-N 2.7Å; Q428-L432 WeakPolarHBondContact O-CB 3.48Å; Q428-L432 VanDerWaalsContact O-CG 3.27Å; Q428-L432 WeakPolarHBondContact O-CG 3.43Å; Q428-L432 PolarHBondContact O-N 2.93Å; Q428-F462 HydrophobicContact CG-CE1 4.18Å |
| 429 | I | 93.6 | Very high | 89.3 | Confident | 13 Ų | 13 | 32.5 Ų | 32.5 | 7% | 0.067 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.9 | -46.7 | 178 | -67.3 | 162.5 | 0 | 0 | 0 | 111 | R425 M426 I427 L431 L432 K433 E469 V470 L473 | R425-I429 HydrophobicContact CG-CD1 4.24Å; R425-I429 WeakPolarHBondContact O-CG1 3.2Å; R425-I429 PolarHBondContact O-N 3.28Å; M426-I429 PolarHBondContact O-N 2.83Å; I427-I429 VanDerWaalsContact C-N 3.32Å; I427-I429 PolarHBondContact O-N 3.48Å; I429-L431 PolarHBondContact O-N 2.87Å; I429-L432 PolarHBondContact O-N 3.49Å; I429-K433 HydrophobicContact CG2-CD 4.02Å; I429-K433 HydrophobicContact CG2-CG 4.44Å; I429-K433 WeakPolarHBondContact O-CB 3.34Å; I429-K433 WeakPolarHBondContact O-CG 3.25Å; I429-K433 PolarHBondContact O-N 3.21Å; I429-E469 WeakPolarHBondContact CD1-OE2 3.44Å; I429-E469 HydrophobicContact CG2-CG 4.46Å; I429-E469 WeakPolarHBondContact CG2-OE1 3.29Å; I429-V470 HydrophobicContact CG1-CG2 3.88Å; I429-L473 HydrophobicContact CG2-CD1 4.08Å |
| 430 | M | 95.6 | Very high | 90.6 | Very high | 20 Ų | 20 | 30.2 Ų | 30.2 | 10% | 0.099 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.6 | -40.9 | -179.5 | -67.6 | -52.6 | 123.9 | 0 | 0 | 112.7 | V347 Q375 I379 M426 I427 S434 | V347-M430 HydrophobicContact CG2-CG 3.79Å; Q375-M430 HydrophobicContact CB-SD 3.96Å; Q375-M430 HydrophobicContact CG-SD 4.3Å; I379-M430 HydrophobicContact CD1-SD 3.77Å; M426-M430 WeakPolarHBondContact O-CG 3.46Å; M426-M430 PolarHBondContact O-N 3.31Å; I427-M430 PolarHBondContact O-N 2.87Å; M430-S434 WeakPolarHBondContact O-CB 3.24Å; M430-S434 PolarHBondContact O-N 2.97Å; M430-S434 PolarHBondContact O-OG 3.17Å |
| 431 | L | 95.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -72.6 | -36.5 | 178.8 | -60.9 | 173 | 0 | 0 | 0 | 111.8 | L340 R344 I405 I427 Q428 I429 S434 L435 | L340-L431 HydrophobicContact CB-CD2 4.22Å; L340-L431 HydrophobicContact CD2-CD2 3.55Å; L340-L431 HydrophobicContact CG-CD2 4.34Å; R344-L431 VanDerWaalsContact NH2-CD1 3.32Å; I405-L431 HydrophobicContact CB-CD1 4.43Å; I405-L431 HydrophobicContact CD1-CB 4.27Å; I405-L431 HydrophobicContact CG1-CB 3.9Å; I405-L431 HydrophobicContact CG1-CD1 4.2Å; I427-L431 HydrophobicContact CG2-CD1 3.62Å; I427-L431 HydrophobicContact CG2-CG 4.15Å; I427-L431 VanDerWaalsContact O-CG 3.24Å; I427-L431 WeakPolarHBondContact O-CG 3.49Å; I427-L431 PolarHBondContact O-N 2.91Å; Q428-L431 PolarHBondContact O-N 2.7Å; I429-L431 PolarHBondContact O-N 2.87Å; L431-S434 WeakPolarHBondContact O-CB 3.31Å; L431-S434 PolarHBondContact O-N 2.83Å; L431-L435 WeakPolarHBondContact O-CB 3.41Å; L431-L435 PolarHBondContact O-N 3.2Å |
| 432 | L | 95.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.8 | -39.9 | 173.3 | -73.7 | 169.7 | 0 | 0 | 0 | 111.8 | I405 Q428 I429 S434 L435 V436 V470 L473 V474 I477 | I405-L432 HydrophobicContact CD1-CD2 3.67Å; I405-L432 HydrophobicContact CD1-CG 4Å; Q428-L432 WeakPolarHBondContact O-CB 3.48Å; Q428-L432 VanDerWaalsContact O-CG 3.27Å; Q428-L432 WeakPolarHBondContact O-CG 3.43Å; Q428-L432 PolarHBondContact O-N 2.93Å; I429-L432 PolarHBondContact O-N 3.49Å; L432-S434 VanDerWaalsContact C-N 3.31Å; L432-S434 PolarHBondContact O-N 3.11Å; L432-L435 PolarHBondContact O-N 3.18Å; L432-L435 VanDerWaalsContact O-N 3.15Å; L432-V436 WeakPolarHBondContact O-CG2 3.23Å; L432-V436 PolarHBondContact O-N 2.78Å; L432-V470 HydrophobicContact CD1-CB 4.37Å; L432-V470 HydrophobicContact CD1-CG1 3.71Å; L432-V470 HydrophobicContact CD1-CG2 4.41Å; L432-L473 HydrophobicContact CB-CB 3.95Å; L432-L473 HydrophobicContact CB-CD1 3.8Å; L432-L473 HydrophobicContact CB-CG 4.45Å; L432-L473 HydrophobicContact CD1-CB 4.49Å; L432-V474 HydrophobicContact CD1-CG2 4.44Å; L432-V474 HydrophobicContact CD2-CG2 4.24Å; L432-I477 HydrophobicContact CD2-CD1 3.89Å |
| 433 | K | 97.1 | Very high | 92 | Very high | 60 Ų | 60 | 30 Ų | 30 | 26% | 0.261 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -60 | -41.8 | 171 | -77.1 | 178.2 | 179.3 | 172.5 | 0 | 111.7 | I379 I429 L435 V436 Q437 E469 L473 | I379-K433 HydrophobicContact CD1-CB 3.82Å; I379-K433 HydrophobicContact CD1-CD 4.29Å; I379-K433 HydrophobicContact CG1-CB 4.46Å; I379-K433 HydrophobicContact CG2-CB 4.33Å; I429-K433 HydrophobicContact CG2-CD 4.02Å; I429-K433 HydrophobicContact CG2-CG 4.44Å; I429-K433 WeakPolarHBondContact O-CB 3.34Å; I429-K433 WeakPolarHBondContact O-CG 3.25Å; I429-K433 PolarHBondContact O-N 3.21Å; K433-L435 VanDerWaalsContact C-N 3.33Å; K433-L435 PolarHBondContact O-N 3.43Å; K433-V436 PolarHBondContact O-N 2.96Å; K433-Q437 WeakPolarHBondContact O-CG 3.24Å; K433-Q437 PolarHBondContact O-N 3.11Å; K433-Q437 VanDerWaalsContact O-N 3.09Å; K433-E469 WeakPolarHBondContact CE-OE1 3.32Å; K433-E469 IonicContact NZ-OE1 3.63Å; K433-E469 PolarHBondContact NZ-OE1 3.43Å; K433-L473 HydrophobicContact CG-CD1 3.94Å; K433-L473 HydrophobicContact CG-CD2 3.7Å |
| 434 | S | 97.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.9 | -45.6 | 172.8 | -59.2 | 0 | 0 | 0 | 0 | 111 | L343 M430 L431 L432 Q437 V438 | L343-S434 WeakPolarHBondContact CD1-OG 3.44Å; M430-S434 WeakPolarHBondContact O-CB 3.24Å; M430-S434 PolarHBondContact O-N 2.97Å; M430-S434 PolarHBondContact O-OG 3.17Å; L431-S434 WeakPolarHBondContact O-CB 3.31Å; L431-S434 PolarHBondContact O-N 2.83Å; L432-S434 VanDerWaalsContact C-N 3.31Å; L432-S434 PolarHBondContact O-N 3.11Å; S434-Q437 WeakPolarHBondContact O-CB 3.45Å; S434-Q437 PolarHBondContact O-N 3.43Å; S434-V438 WeakPolarHBondContact O-CG2 3.47Å; S434-V438 PolarHBondContact O-N 3.05Å |
| 435 | L | 96.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.3 | -39.2 | 178.2 | -171.9 | 55.6 | 0 | 0 | 0 | 112.5 | M398 I401 M402 L431 L432 K433 Q437 V438 T439 F455 I477 | M398-L435 HydrophobicContact CB-CD1 3.9Å; M398-L435 HydrophobicContact CG-CD1 3.87Å; I401-L435 HydrophobicContact CB-CD1 4.49Å; I401-L435 HydrophobicContact CG2-CB 4.12Å; M402-L435 HydrophobicContact SD-CD2 3.94Å; L431-L435 WeakPolarHBondContact O-CB 3.41Å; L431-L435 PolarHBondContact O-N 3.2Å; L432-L435 PolarHBondContact O-N 3.18Å; L432-L435 VanDerWaalsContact O-N 3.15Å; K433-L435 VanDerWaalsContact C-N 3.33Å; K433-L435 PolarHBondContact O-N 3.43Å; L435-Q437 VanDerWaalsContact C-N 3.29Å; L435-Q437 PolarHBondContact O-N 3.12Å; L435-V438 PolarHBondContact O-N 3.36Å; L435-V438 VanDerWaalsContact O-N 3.14Å; L435-T439 HydrophobicContact CD1-CG2 4.41Å; L435-T439 WeakPolarHBondContact O-CG2 3.33Å; L435-T439 PolarHBondContact O-N 3.15Å; L435-T439 PolarHBondContact O-OG1 3.08Å; L435-F455 HydrophobicContact CD1-CE2 4.17Å; L435-F455 HydrophobicContact CD1-CZ 4.2Å; L435-F455 HydrophobicContact CD2-CE2 3.95Å; L435-F455 HydrophobicContact CD2-CZ 3.92Å; L435-F455 HydrophobicContact CG-CZ 4.42Å; L435-I477 HydrophobicContact CB-CD1 4Å; L435-I477 HydrophobicContact CD2-CD1 3.71Å; L435-I477 HydrophobicContact CG-CD1 3.79Å; L435-I477 HydrophobicContact CG-CG1 4.24Å |
| 436 | V | 96.9 | Very high | 92.1 | Very high | 16 Ų | 16 | 31.9 Ų | 31.9 | 10% | 0.097 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.7 | -43.8 | 171.8 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | L432 K433 T439 T440 L473 Q476 I477 | L432-V436 WeakPolarHBondContact O-CG2 3.23Å; L432-V436 PolarHBondContact O-N 2.78Å; K433-V436 PolarHBondContact O-N 2.96Å; V436-T439 PolarHBondContact O-N 2.79Å; V436-T439 PolarHBondContact O-OG1 3.43Å; V436-T440 PolarHBondContact O-N 3.31Å; V436-T440 VanDerWaalsContact O-N 3.09Å; V436-T440 PolarHBondContact O-OG1 2.89Å; V436-L473 HydrophobicContact CG2-CB 4.42Å; V436-L473 HydrophobicContact CG2-CD2 3.93Å; V436-Q476 HydrophobicContact CG2-CB 4.19Å; V436-I477 HydrophobicContact CB-CG1 4.49Å; V436-I477 HydrophobicContact CG2-CD1 4.18Å; V436-I477 HydrophobicContact CG2-CG1 3.62Å |
| 437 | Q | 95.7 | Very high | 92.1 | Very high | 66 Ų | 66 | 30.5 Ų | 30.5 | 31% | 0.308 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -64.4 | -40.9 | 176.5 | -70.5 | -62.5 | -34.6 | 0 | 0 | 111.8 | I379 K433 S434 L435 T439 T440 | I379-Q437 HydrophobicContact CG2-CG 3.53Å; K433-Q437 WeakPolarHBondContact O-CG 3.24Å; K433-Q437 PolarHBondContact O-N 3.11Å; K433-Q437 VanDerWaalsContact O-N 3.09Å; S434-Q437 WeakPolarHBondContact O-CB 3.45Å; S434-Q437 PolarHBondContact O-N 3.43Å; L435-Q437 VanDerWaalsContact C-N 3.29Å; L435-Q437 PolarHBondContact O-N 3.12Å; Q437-T439 VanDerWaalsContact C-N 3.32Å; Q437-T439 PolarHBondContact O-N 3.1Å; Q437-T440 PolarHBondContact O-N 2.96Å |
| 438 | V | 95.2 | Very high | 92 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.5 | -31.8 | 176.6 | 175.3 | 0 | 0 | 0 | 0 | 112.7 | F336 I382 A386 R394 V397 M398 I401 S434 L435 | F336-V438 HydrophobicContact CE1-CG2 4.48Å; I382-V438 HydrophobicContact CG2-CG2 3.65Å; A386-V438 HydrophobicContact CB-CB 4.13Å; A386-V438 HydrophobicContact CB-CG1 3.97Å; A386-V438 HydrophobicContact CB-CG2 3.79Å; R394-V438 PolarHBondContact NE-O 3.46Å; R394-V438 VanDerWaalsContact NE-O 3.14Å; R394-V438 PolarHBondContact NH2-O 2.75Å; V397-V438 HydrophobicContact CG1-CG1 4.08Å; V397-V438 HydrophobicContact CG1-CG2 4.13Å; M398-V438 HydrophobicContact CG-CG1 3.62Å; I401-V438 HydrophobicContact CD1-CG2 3.64Å; S434-V438 WeakPolarHBondContact O-CG2 3.47Å; S434-V438 PolarHBondContact O-N 3.05Å; L435-V438 PolarHBondContact O-N 3.36Å; L435-V438 VanDerWaalsContact O-N 3.14Å |
| 439 | T | 94.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -87.8 | -9.1 | 178.4 | 61.3 | 0 | 0 | 0 | 0 | 114.1 | M398 L435 V436 Q437 G441 F442 I477 L481 | M398-T439 HydrophobicContact CE-CG2 3.91Å; M398-T439 HydrophobicContact CG-CG2 4.2Å; M398-T439 HydrophobicContact SD-CG2 3.99Å; L435-T439 HydrophobicContact CD1-CG2 4.41Å; L435-T439 WeakPolarHBondContact O-CG2 3.33Å; L435-T439 PolarHBondContact O-N 3.15Å; L435-T439 PolarHBondContact O-OG1 3.08Å; V436-T439 PolarHBondContact O-N 2.79Å; V436-T439 PolarHBondContact O-OG1 3.43Å; Q437-T439 VanDerWaalsContact C-N 3.32Å; Q437-T439 PolarHBondContact O-N 3.1Å; T439-G441 PolarHBondContact O-N 3.31Å; T439-F442 VanDerWaalsContact O-CB 3.22Å; T439-F442 WeakPolarHBondContact O-CB 3.41Å; T439-F442 PolarHBondContact O-N 3.47Å; T439-F442 VanDerWaalsContact O-N 3.13Å; T439-I477 HydrophobicContact CG2-CG2 4.08Å; T439-L481 HydrophobicContact CG2-CD1 4.09Å; T439-L481 HydrophobicContact CG2-CD2 3.81Å; T439-L481 HydrophobicContact CG2-CG 3.97Å |
| 440 | T | 90.8 | Very high | 91.6 | Very high | 60 Ų | 60 | 36 Ų | 36 | 37% | 0.368 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | 123.8 | 179.3 | -64 | 0 | 0 | 0 | 0 | 110.6 | N387 R394 V436 Q437 F442 | N387-T440 PolarHBondContact OD1-O 3.24Å; R394-T440 PolarHBondContact NH2-O 3.12Å; V436-T440 PolarHBondContact O-N 3.31Å; V436-T440 VanDerWaalsContact O-N 3.09Å; V436-T440 PolarHBondContact O-OG1 2.89Å; Q437-T440 PolarHBondContact O-N 2.96Å; T440-F442 VanDerWaalsContact C-N 3.27Å; T440-F442 PolarHBondContact O-N 3.13Å |
| 441 | G | 85.5 | Confident | 91.4 | Very high | 61 Ų | 61 | 35 Ų | 35 | 63% | 0.629 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 25.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R394 T439 | R394-G441 PolarHBondContact NH1-O 3.02Å; R394-G441 VanDerWaalsContact NH1-O 3.07Å; T439-G441 PolarHBondContact O-N 3.31Å |
| 442 | F | 88.8 | Confident | 91.3 | Very high | 10 Ų | 10 | 36.6 Ų | 36.6 | 4% | 0.044 | 21% | 0.213 | C | C | . | . | trans | -74.2 | 123.2 | 173.5 | -169.9 | -84.3 | 0 | 0 | 0 | 109.7 | T391 R394 S395 M398 T439 T440 T444 A450 L481 | T391-F442 HydrophobicContact CG2-CE1 3.83Å; T391-F442 HydrophobicContact CG2-CE2 3.75Å; T391-F442 HydrophobicContact CG2-CZ 3.34Å; R394-F442 HydrophobicContact CB-CD2 4.05Å; R394-F442 HydrophobicContact CB-CE2 3.77Å; S395-F442 WeakPolarHBondContact OG-CZ 3.35Å; M398-F442 HydrophobicContact SD-CD2 3.98Å; M398-F442 HydrophobicContact SD-CE2 3.75Å; M398-F442 HydrophobicContact SD-CZ 4.36Å; T439-F442 VanDerWaalsContact O-CB 3.22Å; T439-F442 WeakPolarHBondContact O-CB 3.41Å; T439-F442 PolarHBondContact O-N 3.47Å; T439-F442 VanDerWaalsContact O-N 3.13Å; T440-F442 VanDerWaalsContact C-N 3.27Å; T440-F442 PolarHBondContact O-N 3.13Å; F442-T444 WeakPolarHBondContact CD1-OG1 3.19Å; F442-T444 PolarHBondContact O-N 3.09Å; F442-A450 HydrophobicContact CE1-CB 3.97Å; F442-L481 HydrophobicContact CB-CD2 4.09Å; F442-L481 HydrophobicContact CD1-CD2 3.7Å; F442-L481 HydrophobicContact CD2-CD2 4.46Å; F442-L481 HydrophobicContact CE1-CD2 4.22Å; F442-L481 HydrophobicContact CG-CD2 3.84Å | ||
| 443 | Q | 84.1 | Confident | 91 | Very high | 153 Ų | 153 | 39.4 Ų | 39.4 | 72% | 0.715 | 23% | 0.228 | S | C | * | . | trans | -91.9 | 100 | 179.6 | -69 | -176.3 | -5.8 | 0 | 0 | 110.2 | ||||
| 444 | T | 85.5 | Confident | 90.6 | Very high | 10 Ų | 10 | 41.4 Ų | 41.4 | 6% | 0.061 | 25% | 0.245 | C | C | . | . | trans | -85.6 | 116.9 | 179.1 | -51.6 | 0 | 0 | 0 | 0 | 111.6 | F442 M447 A450 L481 R484 | F442-T444 WeakPolarHBondContact CD1-OG1 3.19Å; F442-T444 PolarHBondContact O-N 3.09Å; T444-M447 VanDerWaalsContact CB-CE 3.5Å; T444-M447 HydrophobicContact CG2-CE 3.18Å; T444-M447 HydrophobicContact CG2-CG 4.49Å; T444-M447 HydrophobicContact CG2-SD 3.61Å; T444-A450 HydrophobicContact CG2-CB 3.4Å; T444-A450 VanDerWaalsContact CG2-CB 3.4Å; T444-L481 WeakPolarHBondContact CB-O 3.47Å; T444-L481 PolarHBondContact OG1-O 3.37Å; T444-R484 WeakPolarHBondContact O-CD 3.46Å; T444-R484 WeakPolarHBondContact O-CG 3.32Å | ||
| 445 | T | 84.4 | Confident | 90.3 | Very high | 123 Ų | 123 | 41.5 Ų | 41.5 | 76% | 0.755 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -94.8 | -33.3 | 171 | 54 | 0 | 0 | 0 | 0 | 112.7 | ||
| 446 | N | 88.1 | Confident | 90.1 | Very high | 28 Ų | 28 | 41.5 Ų | 41.5 | 15% | 0.15 | 25% | 0.246 | C | C | . | . | trans | -133.9 | 119.6 | 179 | 178.3 | -8.8 | 0 | 0 | 0 | 109.9 | L448 T449 A450 Q513 | N446-L448 PolarHBondContact O-N 3.49Å; N446-L448 WeakPolarHBondContact OD1-CB 3.34Å; N446-L448 PolarHBondContact OD1-N 3.03Å; N446-T449 PolarHBondContact O-N 3.1Å; N446-T449 PolarHBondContact O-OG1 2.8Å; N446-A450 PolarHBondContact O-N 3.38Å; N446-A450 VanDerWaalsContact O-N 3.14Å; N446-Q513 PolarHBondContact ND2-OE1 2.99Å | ||
| 447 | M | 90.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.9 | -33.1 | -178.1 | -71.8 | -59.9 | 146 | 0 | 0 | 113.6 | T444 T449 A450 L451 R484 F517 L557 | T444-M447 VanDerWaalsContact CB-CE 3.5Å; T444-M447 HydrophobicContact CG2-CE 3.18Å; T444-M447 HydrophobicContact CG2-CG 4.49Å; T444-M447 HydrophobicContact CG2-SD 3.61Å; M447-T449 VanDerWaalsContact C-N 3.25Å; M447-T449 PolarHBondContact O-N 2.94Å; M447-A450 PolarHBondContact O-N 3.31Å; M447-L451 WeakPolarHBondContact O-CB 3.34Å; M447-L451 PolarHBondContact O-N 3.21Å; M447-R484 HydrophobicContact CE-CG 3.84Å; M447-F517 HydrophobicContact CB-CB 4.09Å; M447-F517 HydrophobicContact CB-CD1 4.08Å; M447-F517 HydrophobicContact CB-CD2 3.76Å; M447-F517 HydrophobicContact CB-CE1 4.5Å; M447-F517 HydrophobicContact CB-CE2 4.23Å; M447-F517 HydrophobicContact CB-CG 3.69Å; M447-L557 HydrophobicContact CG-CD2 3.7Å |
| 448 | L | 89.3 | Confident | 89.4 | Confident | 55 Ų | 55 | 43 Ų | 43 | 29% | 0.288 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.9 | -28.9 | -179.8 | -71.6 | 165.1 | 0 | 0 | 0 | 112.3 | N446 L516 F517 | N446-L448 PolarHBondContact O-N 3.49Å; N446-L448 WeakPolarHBondContact OD1-CB 3.34Å; N446-L448 PolarHBondContact OD1-N 3.03Å; L448-L516 HydrophobicContact CD1-CB 4.2Å; L448-F517 HydrophobicContact CD2-CB 4.13Å; L448-F517 HydrophobicContact CD2-CD2 4.06Å; L448-F517 HydrophobicContact CG-CB 4.11Å; L448-F517 HydrophobicContact CG-CD2 4.4Å |
| 449 | T | 87.4 | Confident | 89.2 | Confident | 88 Ų | 88 | 43 Ų | 43 | 54% | 0.54 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -88.9 | -30.5 | 177.4 | 58.5 | 0 | 0 | 0 | 0 | 112.6 | N446 M447 | N446-T449 PolarHBondContact O-N 3.1Å; N446-T449 PolarHBondContact O-OG1 2.8Å; M447-T449 VanDerWaalsContact C-N 3.25Å; M447-T449 PolarHBondContact O-N 2.94Å |
| 450 | A | 88.5 | Confident | 89 | Confident | 4 Ų | 4 | 43.1 Ų | 43.1 | 3% | 0.033 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -78 | -31.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | F442 T444 N446 M447 P452 | F442-A450 HydrophobicContact CE1-CB 3.97Å; T444-A450 HydrophobicContact CG2-CB 3.4Å; T444-A450 VanDerWaalsContact CG2-CB 3.4Å; N446-A450 PolarHBondContact O-N 3.38Å; N446-A450 VanDerWaalsContact O-N 3.14Å; M447-A450 PolarHBondContact O-N 3.31Å; A450-P452 VanDerWaalsContact C-CD 3.44Å |
| 451 | L | 92.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -127.2 | 65.1 | 179.5 | -68.4 | 172.2 | 0 | 0 | 0 | 111 | M447 F455 L456 L481 I482 F517 | M447-L451 WeakPolarHBondContact O-CB 3.34Å; M447-L451 PolarHBondContact O-N 3.21Å; L451-F455 HydrophobicContact CD2-CD1 3.8Å; L451-F455 HydrophobicContact CD2-CE1 3.89Å; L451-L456 HydrophobicContact CD2-CD1 4.35Å; L451-L481 HydrophobicContact CD2-CB 4.45Å; L451-L481 HydrophobicContact CD2-CD1 3.49Å; L451-L481 VanDerWaalsContact CD2-CD1 3.49Å; L451-L481 HydrophobicContact CG-CD1 4.33Å; L451-I482 HydrophobicContact CD1-CG1 4.39Å; L451-F517 HydrophobicContact CB-CE2 3.89Å; L451-F517 HydrophobicContact CB-CZ 4.32Å; L451-F517 HydrophobicContact CD1-CE2 4.3Å; L451-F517 HydrophobicContact CD1-CZ 3.92Å |
| 452 | P | 91.9 | Very high | 88.8 | Confident | 34 Ų | 34 | 40 Ų | 40 | 22% | 0.221 | 23% | 0.229 | C | C | . | . | trans | -68.4 | 158.4 | 173.2 | 31.1 | -35.7 | 0 | 0 | 0 | 111.1 | L399 A450 T454 F455 L456 | L399-P452 HydrophobicContact CD2-CG 4.41Å; A450-P452 VanDerWaalsContact C-CD 3.44Å; P452-T454 PolarHBondContact O-N 3.38Å; P452-T454 VanDerWaalsContact O-N 3.15Å; P452-F455 HydrophobicContact CG-CB 3.98Å; P452-F455 WeakPolarHBondContact O-CA 3.22Å; P452-F455 WeakPolarHBondContact O-CB 3.37Å; P452-F455 PolarHBondContact O-N 3.29Å; P452-L456 PolarHBondContact O-N 3.48Å | ||
| 453 | D | 89.7 | Confident | 88.5 | Confident | 60 Ų | 60 | 40 Ų | 40 | 32% | 0.321 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -50.8 | -42.9 | -179.1 | -52.1 | 0 | 0 | 0 | 0 | 112.4 | F455 L456 D457 K520 H521 | D453-F455 PolarHBondContact O-N 2.98Å; D453-F455 VanDerWaalsContact O-N 3.09Å; D453-L456 PolarHBondContact O-N 3.37Å; D453-D457 PolarHBondContact O-N 2.89Å; D453-K520 WeakPolarHBondContact OD1-CE 2.94Å; D453-K520 IonicContact OD1-NZ 3.18Å; D453-K520 PolarHBondContact OD1-NZ 3.26Å; D453-K520 WeakPolarHBondContact OD2-CE 3.44Å; D453-K520 IonicContact OD2-NZ 3.69Å; D453-K520 PolarHBondContact OD2-NZ 3.35Å; D453-H521 IonicContact OD1-CE1 2.76Å; D453-H521 PolarHBondContact OD1-CE1 3.13Å; D453-H521 IonicContact OD1-NE2 3.98Å; D453-H521 PolarHBondContact OD1-NE2 3.09Å |
| 454 | T | 89.1 | Confident | 88.3 | Confident | 102 Ų | 102 | 35.1 Ų | 35.1 | 63% | 0.626 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -62.4 | -17.3 | 179.4 | 53.9 | 0 | 0 | 0 | 0 | 113.7 | P452 P458 | P452-T454 PolarHBondContact O-N 3.38Å; P452-T454 VanDerWaalsContact O-N 3.15Å; T454-P458 WeakPolarHBondContact O-CG 3.24Å |
| 455 | F | 92.4 | Very high | 88.1 | Confident | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.009 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -105.1 | -47.6 | 174.5 | -174.7 | -102.4 | 0 | 0 | 0 | 111.9 | M398 L399 M402 L435 L451 P452 D453 P458 L459 I477 L481 | M398-F455 HydrophobicContact CB-CD2 4.49Å; M398-F455 HydrophobicContact CB-CE2 3.87Å; M398-F455 HydrophobicContact CB-CZ 4.28Å; M398-F455 HydrophobicContact CE-CD1 4.46Å; M398-F455 HydrophobicContact CE-CE1 3.78Å; M398-F455 HydrophobicContact CE-CE2 4.22Å; M398-F455 HydrophobicContact CE-CZ 3.64Å; L399-F455 HydrophobicContact CD2-CB 3.76Å; L399-F455 HydrophobicContact CD2-CD2 4.22Å; L399-F455 HydrophobicContact CD2-CG 4.44Å; M402-F455 HydrophobicContact CB-CD2 3.83Å; M402-F455 HydrophobicContact CB-CE2 3.86Å; M402-F455 HydrophobicContact CG-CD2 3.91Å; M402-F455 HydrophobicContact CG-CE2 4.07Å; M402-F455 HydrophobicContact SD-CE2 4.38Å; L435-F455 HydrophobicContact CD1-CE2 4.17Å; L435-F455 HydrophobicContact CD1-CZ 4.2Å; L435-F455 HydrophobicContact CD2-CE2 3.95Å; L435-F455 HydrophobicContact CD2-CZ 3.92Å; L435-F455 HydrophobicContact CG-CZ 4.42Å; L451-F455 HydrophobicContact CD2-CD1 3.8Å; L451-F455 HydrophobicContact CD2-CE1 3.89Å; P452-F455 HydrophobicContact CG-CB 3.98Å; P452-F455 WeakPolarHBondContact O-CA 3.22Å; P452-F455 WeakPolarHBondContact O-CB 3.37Å; P452-F455 PolarHBondContact O-N 3.29Å; D453-F455 PolarHBondContact O-N 2.98Å; D453-F455 VanDerWaalsContact O-N 3.09Å; F455-P458 WeakPolarHBondContact O-CD 3.32Å; F455-L459 HydrophobicContact CD1-CD2 4.45Å; F455-L459 HydrophobicContact CE1-CD2 3.82Å; F455-L459 HydrophobicContact CZ-CD2 4.36Å; F455-L459 WeakPolarHBondContact O-CB 3.48Å; F455-L459 PolarHBondContact O-N 3.36Å; F455-L459 VanDerWaalsContact O-N 3.09Å; F455-I477 HydrophobicContact CE1-CG2 4.41Å; F455-I477 HydrophobicContact CZ-CG2 4.26Å; F455-L481 HydrophobicContact CE1-CD1 3.81Å; F455-L481 HydrophobicContact CZ-CD1 4.45Å |
| 456 | L | 92.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.7 | -45.7 | -172.9 | -176.9 | 61.7 | 0 | 0 | 0 | 112.1 | L451 P452 D453 L459 L460 L478 F517 H521 L525 | L451-L456 HydrophobicContact CD2-CD1 4.35Å; P452-L456 PolarHBondContact O-N 3.48Å; D453-L456 PolarHBondContact O-N 3.37Å; L456-L459 PolarHBondContact O-N 2.93Å; L456-L460 HydrophobicContact CD1-CD1 3.89Å; L456-L460 HydrophobicContact CD1-CD2 4.25Å; L456-L460 HydrophobicContact CD1-CG 3.78Å; L456-L460 HydrophobicContact CD2-CD1 4.41Å; L456-L460 HydrophobicContact CG-CD1 3.79Å; L456-L460 HydrophobicContact CG-CG 4.1Å; L456-L460 VanDerWaalsContact O-CB 3.31Å; L456-L460 WeakPolarHBondContact O-CB 3.42Å; L456-L460 VanDerWaalsContact O-CG 3.25Å; L456-L460 WeakPolarHBondContact O-CG 3.23Å; L456-L460 PolarHBondContact O-N 3.26Å; L456-L478 HydrophobicContact CD1-CD2 3.88Å; L456-F517 HydrophobicContact CD2-CE2 4.33Å; L456-F517 HydrophobicContact CD2-CZ 4.29Å; L456-H521 HydrophobicContact CD2-CB 3.8Å; L456-L525 HydrophobicContact CD1-CD2 4.46Å |
| 457 | D | 88.4 | Confident | 87.7 | Confident | 68 Ų | 68 | 36 Ų | 36 | 36% | 0.364 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65.6 | -46.3 | -176.5 | -61.6 | -27.8 | 0 | 0 | 0 | 112.1 | D453 L459 L460 S461 | D453-D457 PolarHBondContact O-N 2.89Å; D457-L459 VanDerWaalsContact C-N 3.31Å; D457-L459 PolarHBondContact O-N 3.04Å; D457-L460 PolarHBondContact O-N 2.69Å; D457-S461 PolarHBondContact O-N 2.86Å |
| 458 | P | 89.2 | Confident | 87.6 | Confident | 45 Ų | 45 | 37.6 Ų | 37.6 | 29% | 0.292 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.8 | -43 | 171.5 | -26 | 37.5 | 0 | 0 | 0 | 111.7 | M402 T454 F455 L460 S461 F462 | M402-P458 HydrophobicContact CE-CB 3.51Å; M402-P458 HydrophobicContact CG-CB 4.42Å; T454-P458 WeakPolarHBondContact O-CG 3.24Å; F455-P458 WeakPolarHBondContact O-CD 3.32Å; P458-L460 PolarHBondContact O-N 3Å; P458-S461 WeakPolarHBondContact O-CB 3.3Å; P458-S461 PolarHBondContact O-N 3.36Å; P458-S461 VanDerWaalsContact O-N 3.14Å; P458-S461 PolarHBondContact O-OG 2.91Å; P458-F462 WeakPolarHBondContact O-CD2 3.46Å; P458-F462 PolarHBondContact O-N 3.33Å |
| 459 | L | 90.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.2 | -46.9 | -176.5 | -179.6 | 66.6 | 0 | 0 | 0 | 110.8 | M402 F455 L456 D457 S461 F462 S463 V474 I477 L478 | M402-L459 VanDerWaalsContact CE-CA 3.46Å; M402-L459 HydrophobicContact CE-CB 4.03Å; M402-L459 HydrophobicContact CE-CD1 4.46Å; M402-L459 VanDerWaalsContact CE-N 3.28Å; F455-L459 HydrophobicContact CD1-CD2 4.45Å; F455-L459 HydrophobicContact CE1-CD2 3.82Å; F455-L459 HydrophobicContact CZ-CD2 4.36Å; F455-L459 WeakPolarHBondContact O-CB 3.48Å; F455-L459 PolarHBondContact O-N 3.36Å; F455-L459 VanDerWaalsContact O-N 3.09Å; L456-L459 PolarHBondContact O-N 2.93Å; D457-L459 VanDerWaalsContact C-N 3.31Å; D457-L459 PolarHBondContact O-N 3.04Å; L459-S461 VanDerWaalsContact C-N 3.3Å; L459-S461 PolarHBondContact O-N 3.43Å; L459-F462 PolarHBondContact O-N 3.24Å; L459-F462 VanDerWaalsContact O-N 3.15Å; L459-S463 PolarHBondContact O-N 2.85Å; L459-V474 HydrophobicContact CD1-CB 4.3Å; L459-V474 HydrophobicContact CD1-CG1 3.87Å; L459-V474 HydrophobicContact CD1-CG2 4Å; L459-V474 HydrophobicContact CG-CG1 3.84Å; L459-V474 WeakPolarHBondContact O-CG1 3.38Å; L459-I477 HydrophobicContact CD1-CB 4.43Å; L459-I477 HydrophobicContact CD1-CD1 3.91Å; L459-I477 HydrophobicContact CD1-CG2 4.21Å; L459-I477 HydrophobicContact CD2-CB 4.38Å; L459-I477 HydrophobicContact CD2-CG2 3.68Å; L459-L478 HydrophobicContact CD2-CD2 3.76Å; L459-L478 HydrophobicContact CD2-CG 4.09Å |
| 460 | L | 89.4 | Confident | 87.9 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.3 | -39.9 | 175.1 | -72.8 | -176.2 | 0 | 0 | 0 | 111.2 | L456 D457 P458 F462 S463 L478 H524 L525 H528 | L456-L460 HydrophobicContact CD1-CD1 3.89Å; L456-L460 HydrophobicContact CD1-CD2 4.25Å; L456-L460 HydrophobicContact CD1-CG 3.78Å; L456-L460 HydrophobicContact CD2-CD1 4.41Å; L456-L460 HydrophobicContact CG-CD1 3.79Å; L456-L460 HydrophobicContact CG-CG 4.1Å; L456-L460 VanDerWaalsContact O-CB 3.31Å; L456-L460 WeakPolarHBondContact O-CB 3.42Å; L456-L460 VanDerWaalsContact O-CG 3.25Å; L456-L460 WeakPolarHBondContact O-CG 3.23Å; L456-L460 PolarHBondContact O-N 3.26Å; D457-L460 PolarHBondContact O-N 2.69Å; P458-L460 PolarHBondContact O-N 3Å; L460-F462 VanDerWaalsContact C-N 3.27Å; L460-F462 PolarHBondContact O-N 3.46Å; L460-S463 WeakPolarHBondContact O-CB 3.44Å; L460-S463 PolarHBondContact O-N 2.95Å; L460-S463 PolarHBondContact O-OG 3.47Å; L460-L478 HydrophobicContact CD2-CD1 4Å; L460-H524 HydrophobicContact CD1-CB 3.98Å; L460-L525 HydrophobicContact CD2-CD2 4.26Å; L460-H528 WeakPolarHBondContact CB-NE2 3.42Å; L460-H528 HydrophobicContact CD2-CB 4.03Å; L460-H528 PolarHBondContact O-CE1 3.5Å; L460-H528 PolarHBondContact O-ND1 3Å; L460-H528 VanDerWaalsContact O-ND1 3.16Å |
| 461 | S | 86.2 | Confident | 88 | Confident | 54 Ų | 54 | 33.8 Ų | 33.8 | 38% | 0.378 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -57.5 | -36.9 | 175.4 | 82.2 | 0 | 0 | 0 | 0 | 113.4 | D457 P458 L459 S463 L464 | D457-S461 PolarHBondContact O-N 2.86Å; P458-S461 WeakPolarHBondContact O-CB 3.3Å; P458-S461 PolarHBondContact O-N 3.36Å; P458-S461 VanDerWaalsContact O-N 3.14Å; P458-S461 PolarHBondContact O-OG 2.91Å; L459-S461 VanDerWaalsContact C-N 3.3Å; L459-S461 PolarHBondContact O-N 3.43Å; S461-S463 VanDerWaalsContact C-N 3.32Å; S461-S463 PolarHBondContact O-N 3.27Å; S461-L464 PolarHBondContact O-N 2.9Å |
| 462 | F | 85.3 | Confident | 88.1 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.6 | -27.6 | 175.9 | -76.7 | -82.7 | 0 | 0 | 0 | 113 | M402 I405 P406 V407 Q428 P458 L459 L460 L464 I465 V470 V474 | M402-F462 HydrophobicContact CE-CD2 3.57Å; M402-F462 HydrophobicContact CE-CE2 3.64Å; I405-F462 HydrophobicContact CB-CE2 4.28Å; I405-F462 HydrophobicContact CB-CZ 3.92Å; I405-F462 HydrophobicContact CG2-CD1 4.39Å; I405-F462 HydrophobicContact CG2-CE1 3.56Å; I405-F462 HydrophobicContact CG2-CE2 4.02Å; I405-F462 HydrophobicContact CG2-CZ 3.35Å; P406-F462 WeakPolarHBondContact O-CE1 3.45Å; V407-F462 HydrophobicContact CG2-CZ 4.31Å; Q428-F462 HydrophobicContact CG-CE1 4.18Å; P458-F462 WeakPolarHBondContact O-CD2 3.46Å; P458-F462 PolarHBondContact O-N 3.33Å; L459-F462 PolarHBondContact O-N 3.24Å; L459-F462 VanDerWaalsContact O-N 3.15Å; L460-F462 VanDerWaalsContact C-N 3.27Å; L460-F462 PolarHBondContact O-N 3.46Å; F462-L464 PolarHBondContact O-N 3.45Å; F462-I465 HydrophobicContact CB-CD1 4.37Å; F462-I465 HydrophobicContact CD1-CD1 3.38Å; F462-I465 HydrophobicContact CE1-CD1 3.99Å; F462-I465 HydrophobicContact CG-CD1 4.21Å; F462-I465 WeakPolarHBondContact O-CB 3.34Å; F462-I465 PolarHBondContact O-N 3.47Å; F462-V470 HydrophobicContact CB-CG1 4.32Å; F462-V474 HydrophobicContact CB-CG2 3.71Å |
| 463 | S | 82.8 | Confident | 88.3 | Confident | 11 Ų | 11 | 33.3 Ų | 33.3 | 8% | 0.077 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.2 | -13.6 | 174.7 | 73 | 0 | 0 | 0 | 0 | 113.7 | L459 L460 S461 R471 H528 | L459-S463 PolarHBondContact O-N 2.85Å; L460-S463 WeakPolarHBondContact O-CB 3.44Å; L460-S463 PolarHBondContact O-N 2.95Å; L460-S463 PolarHBondContact O-OG 3.47Å; S461-S463 VanDerWaalsContact C-N 3.32Å; S461-S463 PolarHBondContact O-N 3.27Å; S463-R471 WeakPolarHBondContact O-CD 3.43Å; S463-R471 WeakPolarHBondContact O-CG 3.27Å; S463-H528 PolarHBondContact OG-ND1 3.43Å |
| 464 | L | 81 | Confident | 88.6 | Confident | 51 Ų | 51 | 30.4 Ų | 30.4 | 27% | 0.267 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 7.5 | 177.4 | -57.1 | -179.8 | 0 | 0 | 0 | 112.9 | S461 F462 H528 L531 | S461-L464 PolarHBondContact O-N 2.9Å; F462-L464 PolarHBondContact O-N 3.45Å; L464-H528 WeakPolarHBondContact CD1-CE1 3.4Å; L464-H528 WeakPolarHBondContact CG-CE1 3.47Å; L464-L531 HydrophobicContact CD1-CD1 3.94Å; L464-L531 HydrophobicContact CD2-CB 3.52Å; L464-L531 HydrophobicContact CD2-CD1 3.82Å; L464-L531 HydrophobicContact CD2-CG 4.34Å |
| 465 | I | 80.9 | Confident | 88.9 | Confident | 26 Ų | 26 | 26 Ų | 26 | 13% | 0.133 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -74.5 | 140.6 | 173.7 | -66.1 | 177.8 | 0 | 0 | 0 | 109 | P408 F462 H467 V470 R471 | P408-I465 HydrophobicContact CG-CD1 3.57Å; P408-I465 HydrophobicContact CG-CG1 4.16Å; F462-I465 HydrophobicContact CB-CD1 4.37Å; F462-I465 HydrophobicContact CD1-CD1 3.38Å; F462-I465 HydrophobicContact CE1-CD1 3.99Å; F462-I465 HydrophobicContact CG-CD1 4.21Å; F462-I465 WeakPolarHBondContact O-CB 3.34Å; F462-I465 PolarHBondContact O-N 3.47Å; I465-H467 HydrophobicContact CG2-CB 4.11Å; I465-H467 PolarHBondContact O-N 2.86Å; I465-V470 HydrophobicContact CB-CG1 4.41Å; I465-V470 HydrophobicContact CD1-CG1 4.34Å; I465-R471 WeakPolarHBondContact O-CD 3.35Å; I465-R471 WeakPolarHBondContact O-CG 3.04Å; I465-R471 PolarHBondContact O-NH1 2.83Å |
| 466 | N | 78.5 | Confident | 89 | Confident | 115 Ų | 115 | 27.9 Ų | 27.9 | 62% | 0.615 | 15% | 0.154 | S | C | * | . | S | Bend | trans | -72.2 | 53.4 | 177.3 | -62.5 | -8.8 | 0 | 0 | 0 | 112.2 | E535 | N466-E535 PolarHBondContact OD1-OE2 2.86Š|
| 467 | H | 85.7 | Confident | 89.2 | Confident | 37 Ų | 37 | 27.9 Ų | 27.9 | 17% | 0.171 | 15% | 0.154 | C | C | . | . | trans | -147.2 | 114.8 | 177.4 | -165.5 | -93.6 | 0 | 0 | 0 | 111.5 | R425 I465 E469 V470 R471 | R425-H467 VanDerWaalsContact CD-CD2 3.49Å; R425-H467 WeakPolarHBondContact CD-CD2 3.46Å; R425-H467 PolarHBondContact NH1-CD2 2.93Å; I465-H467 HydrophobicContact CG2-CB 4.11Å; I465-H467 PolarHBondContact O-N 2.86Å; H467-E469 PolarHBondContact O-N 3.32Å; H467-V470 HydrophobicContact CB-CB 4.26Å; H467-V470 HydrophobicContact CB-CG2 4.22Å; H467-V470 PolarHBondContact O-N 3.22Å; H467-R471 PolarHBondContact O-N 2.6Å | ||
| 468 | S | 88.3 | Confident | 89.6 | Confident | 35 Ų | 35 | 24.8 Ų | 24.8 | 25% | 0.245 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -55.9 | -47.6 | -173.1 | 56.2 | 0 | 0 | 0 | 0 | 113.5 | V470 R471 L472 | S468-V470 VanDerWaalsContact C-N 3.31Å; S468-V470 PolarHBondContact O-N 3.04Å; S468-R471 PolarHBondContact O-N 3Å; S468-L472 WeakPolarHBondContact O-CG 3.41Å; S468-L472 PolarHBondContact O-N 3.21Å |
| 469 | E | 91.6 | Very high | 89.9 | Confident | 67 Ų | 67 | 22.8 Ų | 22.8 | 31% | 0.313 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -62.4 | -37.2 | -178.6 | -170.1 | 179.5 | -176.9 | 0 | 0 | 112.4 | I429 K433 H467 L472 L473 | I429-E469 WeakPolarHBondContact CD1-OE2 3.44Å; I429-E469 HydrophobicContact CG2-CG 4.46Å; I429-E469 WeakPolarHBondContact CG2-OE1 3.29Å; K433-E469 WeakPolarHBondContact CE-OE1 3.32Å; K433-E469 IonicContact NZ-OE1 3.63Å; K433-E469 PolarHBondContact NZ-OE1 3.43Å; H467-E469 PolarHBondContact O-N 3.32Å; E469-L472 PolarHBondContact O-N 3.32Å; E469-L473 HydrophobicContact CG-CD1 4.27Å; E469-L473 VanDerWaalsContact O-CG 3.24Å; E469-L473 WeakPolarHBondContact O-CG 3.48Å; E469-L473 PolarHBondContact O-N 3.21Å |
| 470 | V | 91.4 | Very high | 90 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.1 | -45 | 179.8 | 167.5 | 0 | 0 | 0 | 0 | 109.8 | I429 L432 F462 I465 H467 S468 L472 L473 V474 | I429-V470 HydrophobicContact CG1-CG2 3.88Å; L432-V470 HydrophobicContact CD1-CB 4.37Å; L432-V470 HydrophobicContact CD1-CG1 3.71Å; L432-V470 HydrophobicContact CD1-CG2 4.41Å; F462-V470 HydrophobicContact CB-CG1 4.32Å; I465-V470 HydrophobicContact CB-CG1 4.41Å; I465-V470 HydrophobicContact CD1-CG1 4.34Å; H467-V470 HydrophobicContact CB-CB 4.26Å; H467-V470 HydrophobicContact CB-CG2 4.22Å; H467-V470 PolarHBondContact O-N 3.22Å; S468-V470 VanDerWaalsContact C-N 3.31Å; S468-V470 PolarHBondContact O-N 3.04Å; V470-L472 VanDerWaalsContact C-N 3.35Å; V470-L472 PolarHBondContact O-N 2.82Å; V470-L473 PolarHBondContact O-N 2.93Å; V470-V474 WeakPolarHBondContact O-CG2 3.43Å; V470-V474 PolarHBondContact O-N 2.89Å |
| 471 | R | 91.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62 | -43.2 | 176.9 | -60.8 | -165.2 | -64.2 | -115.2 | 6 | 111.9 | S463 I465 H467 S468 L473 V474 L475 E535 N537 | S463-R471 WeakPolarHBondContact O-CD 3.43Å; S463-R471 WeakPolarHBondContact O-CG 3.27Å; I465-R471 WeakPolarHBondContact O-CD 3.35Å; I465-R471 WeakPolarHBondContact O-CG 3.04Å; I465-R471 PolarHBondContact O-NH1 2.83Å; H467-R471 PolarHBondContact O-N 2.6Å; S468-R471 PolarHBondContact O-N 3Å; R471-L473 PolarHBondContact O-N 3.36Å; R471-V474 PolarHBondContact O-N 3.2Å; R471-L475 WeakPolarHBondContact O-CG 3.32Å; R471-L475 PolarHBondContact O-N 3.4Å; R471-E535 VanDerWaalsContact CZ-CB 3.47Å; R471-E535 IonicContact CZ-OE2 3.78Å; R471-E535 VanDerWaalsContact NH1-CD 3.35Å; R471-E535 VanDerWaalsContact NH1-CG 3.29Å; R471-E535 IonicContact NH1-OE2 3.04Å; R471-E535 PolarHBondContact NH1-OE2 3.1Å; R471-N537 VanDerWaalsContact CZ-OD1 3.3Å; R471-N537 PolarHBondContact NH1-OD1 3.26Å; R471-N537 VanDerWaalsContact NH1-OD1 3.07Å; R471-N537 PolarHBondContact NH2-OD1 3.28Å |
| 472 | L | 94.1 | Very high | 90.7 | Very high | 13 Ų | 13 | 20.9 Ų | 20.9 | 7% | 0.068 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.3 | -45 | 175.9 | -75.2 | 173.1 | 0 | 0 | 0 | 111.8 | S468 E469 V470 V474 L475 Q476 Q541 H542 | S468-L472 WeakPolarHBondContact O-CG 3.41Å; S468-L472 PolarHBondContact O-N 3.21Å; E469-L472 PolarHBondContact O-N 3.32Å; V470-L472 VanDerWaalsContact C-N 3.35Å; V470-L472 PolarHBondContact O-N 2.82Å; L472-V474 PolarHBondContact O-N 3.49Å; L472-L475 PolarHBondContact O-N 3.06Å; L472-Q476 WeakPolarHBondContact O-CB 3.23Å; L472-Q476 VanDerWaalsContact O-CG 3.23Å; L472-Q476 WeakPolarHBondContact O-CG 3.49Å; L472-Q476 PolarHBondContact O-N 3.17Å; L472-Q541 HydrophobicContact CD1-CG 4.34Å; L472-Q541 HydrophobicContact CD2-CB 4.42Å; L472-Q541 HydrophobicContact CD2-CG 4.01Å; L472-H542 HydrophobicContact CD2-CB 4.17Å |
| 473 | L | 96.2 | Very high | 91.1 | Very high | 10 Ų | 10 | 21.8 Ų | 21.8 | 5% | 0.052 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.2 | -41.5 | 177.5 | -68.6 | 167.2 | 0 | 0 | 0 | 111.9 | I429 L432 K433 V436 E469 V470 R471 Q476 I477 | I429-L473 HydrophobicContact CG2-CD1 4.08Å; L432-L473 HydrophobicContact CB-CB 3.95Å; L432-L473 HydrophobicContact CB-CD1 3.8Å; L432-L473 HydrophobicContact CB-CG 4.45Å; L432-L473 HydrophobicContact CD1-CB 4.49Å; K433-L473 HydrophobicContact CG-CD1 3.94Å; K433-L473 HydrophobicContact CG-CD2 3.7Å; V436-L473 HydrophobicContact CG2-CB 4.42Å; V436-L473 HydrophobicContact CG2-CD2 3.93Å; E469-L473 HydrophobicContact CG-CD1 4.27Å; E469-L473 VanDerWaalsContact O-CG 3.24Å; E469-L473 WeakPolarHBondContact O-CG 3.48Å; E469-L473 PolarHBondContact O-N 3.21Å; V470-L473 PolarHBondContact O-N 2.93Å; R471-L473 PolarHBondContact O-N 3.36Å; L473-Q476 WeakPolarHBondContact O-CB 3.49Å; L473-Q476 PolarHBondContact O-N 2.93Å; L473-I477 VanDerWaalsContact O-CG1 3.31Å; L473-I477 WeakPolarHBondContact O-CG1 3.38Å; L473-I477 PolarHBondContact O-N 3.38Å |
| 474 | V | 95 | Very high | 91.5 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.7 | -47.1 | 175.8 | 170.5 | 0 | 0 | 0 | 0 | 111.5 | L432 L459 F462 V470 R471 L472 Q476 I477 L478 | L432-V474 HydrophobicContact CD1-CG2 4.44Å; L432-V474 HydrophobicContact CD2-CG2 4.24Å; L459-V474 HydrophobicContact CD1-CB 4.3Å; L459-V474 HydrophobicContact CD1-CG1 3.87Å; L459-V474 HydrophobicContact CD1-CG2 4Å; L459-V474 HydrophobicContact CG-CG1 3.84Å; L459-V474 WeakPolarHBondContact O-CG1 3.38Å; F462-V474 HydrophobicContact CB-CG2 3.71Å; V470-V474 WeakPolarHBondContact O-CG2 3.43Å; V470-V474 PolarHBondContact O-N 2.89Å; R471-V474 PolarHBondContact O-N 3.2Å; L472-V474 PolarHBondContact O-N 3.49Å; V474-Q476 VanDerWaalsContact C-N 3.31Å; V474-Q476 PolarHBondContact O-N 2.94Å; V474-I477 WeakPolarHBondContact O-CB 3.47Å; V474-I477 PolarHBondContact O-N 2.83Å; V474-L478 HydrophobicContact CG1-CD1 4.37Å; V474-L478 PolarHBondContact O-N 3.22Å |
| 475 | L | 95.2 | Very high | 92 | Very high | 9 Ų | 9 | 23.7 Ų | 23.7 | 5% | 0.047 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.7 | -41.1 | 176.3 | -68.9 | 172 | 0 | 0 | 0 | 111.1 | R471 L472 I477 L478 L479 H542 T545 L546 L549 | R471-L475 WeakPolarHBondContact O-CG 3.32Å; R471-L475 PolarHBondContact O-N 3.4Å; L472-L475 PolarHBondContact O-N 3.06Å; L475-I477 VanDerWaalsContact C-N 3.3Å; L475-I477 PolarHBondContact O-N 3.48Å; L475-L478 PolarHBondContact O-N 3.41Å; L475-L479 VanDerWaalsContact O-CG 3.24Å; L475-L479 WeakPolarHBondContact O-CG 3.34Å; L475-L479 PolarHBondContact O-N 3.44Å; L475-H542 VanDerWaalsContact CD1-CD2 3.46Å; L475-H542 WeakPolarHBondContact CD1-CD2 3.43Å; L475-T545 HydrophobicContact CB-CG2 3.45Å; L475-T545 VanDerWaalsContact CB-CG2 3.45Å; L475-T545 HydrophobicContact CD1-CG2 3.99Å; L475-T545 HydrophobicContact CG-CG2 4.35Å; L475-L546 HydrophobicContact CD1-CD2 3.91Å; L475-L546 HydrophobicContact CD1-CG 4.02Å; L475-L546 HydrophobicContact CD2-CD2 3.87Å; L475-L549 HydrophobicContact CD2-CD2 3.75Å |
| 476 | Q | 95.9 | Very high | 92.6 | Very high | 41 Ų | 41 | 27.9 Ų | 27.9 | 19% | 0.192 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.8 | -39 | 174.9 | -72.9 | 173.4 | 14.7 | 0 | 0 | 112.5 | V436 L472 L473 V474 S480 | V436-Q476 HydrophobicContact CG2-CB 4.19Å; L472-Q476 WeakPolarHBondContact O-CB 3.23Å; L472-Q476 VanDerWaalsContact O-CG 3.23Å; L472-Q476 WeakPolarHBondContact O-CG 3.49Å; L472-Q476 PolarHBondContact O-N 3.17Å; L473-Q476 WeakPolarHBondContact O-CB 3.49Å; L473-Q476 PolarHBondContact O-N 2.93Å; V474-Q476 VanDerWaalsContact C-N 3.31Å; V474-Q476 PolarHBondContact O-N 2.94Å; Q476-S480 WeakPolarHBondContact O-CB 3.29Å; Q476-S480 PolarHBondContact O-N 3.23Å; Q476-S480 PolarHBondContact O-OG 3.47Å |
| 477 | I | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.1 | -48.8 | 174.5 | -68.3 | 159.3 | 0 | 0 | 0 | 110.3 | L432 L435 V436 T439 F455 L459 L473 V474 L475 S480 L481 | L432-I477 HydrophobicContact CD2-CD1 3.89Å; L435-I477 HydrophobicContact CB-CD1 4Å; L435-I477 HydrophobicContact CD2-CD1 3.71Å; L435-I477 HydrophobicContact CG-CD1 3.79Å; L435-I477 HydrophobicContact CG-CG1 4.24Å; V436-I477 HydrophobicContact CB-CG1 4.49Å; V436-I477 HydrophobicContact CG2-CD1 4.18Å; V436-I477 HydrophobicContact CG2-CG1 3.62Å; T439-I477 HydrophobicContact CG2-CG2 4.08Å; F455-I477 HydrophobicContact CE1-CG2 4.41Å; F455-I477 HydrophobicContact CZ-CG2 4.26Å; L459-I477 HydrophobicContact CD1-CB 4.43Å; L459-I477 HydrophobicContact CD1-CD1 3.91Å; L459-I477 HydrophobicContact CD1-CG2 4.21Å; L459-I477 HydrophobicContact CD2-CB 4.38Å; L459-I477 HydrophobicContact CD2-CG2 3.68Å; L473-I477 VanDerWaalsContact O-CG1 3.31Å; L473-I477 WeakPolarHBondContact O-CG1 3.38Å; L473-I477 PolarHBondContact O-N 3.38Å; V474-I477 WeakPolarHBondContact O-CB 3.47Å; V474-I477 PolarHBondContact O-N 2.83Å; L475-I477 VanDerWaalsContact C-N 3.3Å; L475-I477 PolarHBondContact O-N 3.48Å; I477-S480 PolarHBondContact O-N 2.88Å; I477-L481 HydrophobicContact CG2-CD1 3.92Å; I477-L481 WeakPolarHBondContact O-CG 3.27Å; I477-L481 PolarHBondContact O-N 3.11Å; I477-L481 VanDerWaalsContact O-N 3.13Å |
| 478 | L | 95.6 | Very high | 93.6 | Very high | 4 Ų | 4 | 24.8 Ų | 24.8 | 2% | 0.021 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.6 | -46.7 | 178.6 | -69.8 | 172.2 | 0 | 0 | 0 | 111.7 | L456 L459 L460 V474 L475 S480 L481 I482 L549 | L456-L478 HydrophobicContact CD1-CD2 3.88Å; L459-L478 HydrophobicContact CD2-CD2 3.76Å; L459-L478 HydrophobicContact CD2-CG 4.09Å; L460-L478 HydrophobicContact CD2-CD1 4Å; V474-L478 HydrophobicContact CG1-CD1 4.37Å; V474-L478 PolarHBondContact O-N 3.22Å; L475-L478 PolarHBondContact O-N 3.41Å; L478-S480 VanDerWaalsContact C-N 3.35Å; L478-S480 PolarHBondContact O-N 3.27Å; L478-L481 PolarHBondContact O-N 2.91Å; L478-I482 HydrophobicContact CB-CD1 4.42Å; L478-I482 WeakPolarHBondContact O-CB 3.48Å; L478-I482 VanDerWaalsContact O-CG1 3.27Å; L478-I482 WeakPolarHBondContact O-CG1 3.47Å; L478-I482 PolarHBondContact O-N 3.48Å; L478-L549 HydrophobicContact CB-CD1 4.39Å; L478-L549 HydrophobicContact CD1-CD2 4.44Å |
| 479 | L | 95.4 | Very high | 93.9 | Very high | 3 Ų | 3 | 26.7 Ų | 26.7 | 2% | 0.016 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.6 | -46.3 | 177.6 | -67.1 | 178.4 | 0 | 0 | 0 | 111.4 | L475 L481 I482 D483 T545 A548 L549 L552 | L475-L479 VanDerWaalsContact O-CG 3.24Å; L475-L479 WeakPolarHBondContact O-CG 3.34Å; L475-L479 PolarHBondContact O-N 3.44Å; L479-L481 VanDerWaalsContact C-N 3.27Å; L479-L481 PolarHBondContact O-N 3.14Å; L479-I482 PolarHBondContact O-N 2.88Å; L479-D483 WeakPolarHBondContact O-CB 3.37Å; L479-D483 PolarHBondContact O-N 3.04Å; L479-T545 HydrophobicContact CD1-CG2 3.49Å; L479-T545 VanDerWaalsContact CD1-CG2 3.49Å; L479-T545 HydrophobicContact CG-CG2 4.44Å; L479-A548 HydrophobicContact CD1-CB 4.08Å; L479-A548 HydrophobicContact CD2-CB 3.98Å; L479-L549 VanDerWaalsContact CD2-CA 3.44Å; L479-L549 HydrophobicContact CD2-CB 3.84Å; L479-L549 HydrophobicContact CD2-CD1 4.21Å; L479-L552 HydrophobicContact CB-CD1 4.18Å; L479-L552 HydrophobicContact CD2-CD1 3.57Å; L479-L552 HydrophobicContact CD2-CG 4.41Å; L479-L552 HydrophobicContact CG-CD1 4.47Å |
| 480 | S | 94.6 | Very high | 94 | Very high | 15 Ų | 15 | 25.9 Ų | 25.9 | 11% | 0.105 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.1 | -29.7 | 179.7 | -65.3 | 0 | 0 | 0 | 0 | 113.5 | Q476 I477 L478 R488 | Q476-S480 WeakPolarHBondContact O-CB 3.29Å; Q476-S480 PolarHBondContact O-N 3.23Å; Q476-S480 PolarHBondContact O-OG 3.47Å; I477-S480 PolarHBondContact O-N 2.88Å; L478-S480 VanDerWaalsContact C-N 3.35Å; L478-S480 PolarHBondContact O-N 3.27Å; S480-R488 PolarHBondContact OG-NH1 3.06Å |
| 481 | L | 94.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -86.3 | -32.8 | -179.8 | -68.1 | 172.1 | 0 | 0 | 0 | 113.2 | M398 T439 F442 T444 L451 F455 I477 L478 L479 | M398-L481 HydrophobicContact CE-CD1 3.6Å; M398-L481 HydrophobicContact CE-CD2 3.64Å; M398-L481 HydrophobicContact CE-CG 4.26Å; M398-L481 HydrophobicContact SD-CD2 4.21Å; T439-L481 HydrophobicContact CG2-CD1 4.09Å; T439-L481 HydrophobicContact CG2-CD2 3.81Å; T439-L481 HydrophobicContact CG2-CG 3.97Å; F442-L481 HydrophobicContact CB-CD2 4.09Å; F442-L481 HydrophobicContact CD1-CD2 3.7Å; F442-L481 HydrophobicContact CD2-CD2 4.46Å; F442-L481 HydrophobicContact CE1-CD2 4.22Å; F442-L481 HydrophobicContact CG-CD2 3.84Å; T444-L481 WeakPolarHBondContact CB-O 3.47Å; T444-L481 PolarHBondContact OG1-O 3.37Å; L451-L481 HydrophobicContact CD2-CB 4.45Å; L451-L481 HydrophobicContact CD2-CD1 3.49Å; L451-L481 VanDerWaalsContact CD2-CD1 3.49Å; L451-L481 HydrophobicContact CG-CD1 4.33Å; F455-L481 HydrophobicContact CE1-CD1 3.81Å; F455-L481 HydrophobicContact CZ-CD1 4.45Å; I477-L481 HydrophobicContact CG2-CD1 3.92Å; I477-L481 WeakPolarHBondContact O-CG 3.27Å; I477-L481 PolarHBondContact O-N 3.11Å; I477-L481 VanDerWaalsContact O-N 3.13Å; L478-L481 PolarHBondContact O-N 2.91Å; L479-L481 VanDerWaalsContact C-N 3.27Å; L479-L481 PolarHBondContact O-N 3.14Å |
| 482 | I | 94.7 | Very high | 94 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -80.2 | -35.2 | 179.8 | -65.9 | 167.3 | 0 | 0 | 0 | 111.1 | L451 L478 L479 R484 L549 L552 L553 E556 L557 | L451-I482 HydrophobicContact CD1-CG1 4.39Å; L478-I482 HydrophobicContact CB-CD1 4.42Å; L478-I482 WeakPolarHBondContact O-CB 3.48Å; L478-I482 VanDerWaalsContact O-CG1 3.27Å; L478-I482 WeakPolarHBondContact O-CG1 3.47Å; L478-I482 PolarHBondContact O-N 3.48Å; L479-I482 PolarHBondContact O-N 2.88Å; I482-R484 PolarHBondContact O-N 3.31Å; I482-L549 HydrophobicContact CD1-CD1 3.69Å; I482-L552 HydrophobicContact CG2-CB 4.01Å; I482-L553 HydrophobicContact CD1-CD2 4.01Å; I482-E556 HydrophobicContact CG2-CB 4.11Å; I482-E556 HydrophobicContact CG2-CG 4.34Å; I482-E556 WeakPolarHBondContact O-CG 3.43Å; I482-L557 HydrophobicContact CG1-CD1 4.5Å; I482-L557 HydrophobicContact CG2-CD1 4.08Å; I482-L557 HydrophobicContact CG2-CG 4.37Å |
| 483 | D | 93.9 | Very high | 93.9 | Very high | 20 Ų | 20 | 35.5 Ų | 35.5 | 11% | 0.107 | 18% | 0.178 | C | C | . | . | trans | -72.9 | 95.2 | -176.8 | -169 | 9.8 | 0 | 0 | 0 | 112.7 | L479 H485 D486 N487 R488 L552 | L479-D483 WeakPolarHBondContact O-CB 3.37Å; L479-D483 PolarHBondContact O-N 3.04Å; D483-H485 PolarHBondContact OD1-N 3.28Å; D483-D486 WeakPolarHBondContact OD1-CA 3.21Å; D483-D486 PolarHBondContact OD1-N 2.89Å; D483-D486 VanDerWaalsContact OD2-CA 3.32Å; D483-D486 WeakPolarHBondContact OD2-CA 3.48Å; D483-N487 VanDerWaalsContact CG-N 3.33Å; D483-N487 PolarHBondContact OD1-N 2.92Å; D483-N487 PolarHBondContact OD2-N 3.4Å; D483-R488 HydrophobicContact CB-CB 4.43Å; D483-R488 WeakPolarHBondContact OD2-CA 3.37Å; D483-R488 WeakPolarHBondContact OD2-CB 3.37Å; D483-R488 PolarHBondContact OD2-N 3.19Å; D483-L552 HydrophobicContact CB-CD1 3.78Å; D483-L552 HydrophobicContact CB-CD2 4.06Å | ||
| 484 | R | 91.3 | Very high | 93.8 | Very high | 63 Ų | 63 | 35.7 Ų | 35.7 | 24% | 0.238 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -83.2 | -22.8 | 177.9 | -60.9 | -177 | -75 | -162.7 | -2.7 | 113.1 | T444 M447 I482 D514 E556 | T444-R484 WeakPolarHBondContact O-CD 3.46Å; T444-R484 WeakPolarHBondContact O-CG 3.32Å; M447-R484 HydrophobicContact CE-CG 3.84Å; I482-R484 PolarHBondContact O-N 3.31Å; R484-D514 IonicContact CZ-OD1 2.62Å; R484-D514 IonicContact CZ-OD2 3.82Å; R484-D514 IonicContact NH1-OD1 3.33Å; R484-D514 PolarHBondContact NH1-OD1 3.47Å; R484-D514 IonicContact NH1-OD2 2.86Å; R484-D514 PolarHBondContact NH1-OD2 3.46Å; R484-D514 IonicContact NH2-OD1 3.66Å; R484-D514 IonicContact NH2-OD2 3.3Å; R484-D514 PolarHBondContact NH2-OD2 3.35Å; R484-E556 WeakPolarHBondContact CB-OE2 3.42Å; R484-E556 IonicContact CZ-OE2 2.99Å; R484-E556 IonicContact NE-OE2 3.67Å; R484-E556 PolarHBondContact NE-OE2 3.44Å; R484-E556 VanDerWaalsContact NE-OE2 3.08Å; R484-E556 PolarHBondContact NH2-O 2.93Å; R484-E556 IonicContact NH2-OE2 3.55Å |
| 485 | H | 91.8 | Very high | 93.7 | Very high | 40 Ų | 40 | 41.1 Ų | 41.1 | 19% | 0.185 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -119.2 | 13.1 | -167.9 | -56.4 | 101.9 | 0 | 0 | 0 | 114.9 | D483 N487 K506 D508 E556 | D483-H485 PolarHBondContact OD1-N 3.28Å; H485-N487 VanDerWaalsContact C-N 3.31Å; H485-N487 PolarHBondContact O-N 3.47Å; H485-K506 HydrophobicContact CB-CB 3.76Å; H485-K506 HydrophobicContact CB-CD 4.27Å; H485-D508 IonicContact CE1-OD2 3.24Å; H485-D508 IonicContact NE2-OD1 2.75Å; H485-D508 IonicContact NE2-OD2 3Å; H485-D508 PolarHBondContact NE2-OD2 2.84Å; H485-E556 IonicContact CE1-OE1 3.77Å; H485-E556 IonicContact CE1-OE2 4Å; H485-E556 PolarHBondContact CE1-OE2 3.12Å; H485-E556 VanDerWaalsContact CE1-OE2 3.32Å; H485-E556 IonicContact CG-OE1 2.94Å; H485-E556 VanDerWaalsContact ND1-CD 3.27Å; H485-E556 IonicContact ND1-OE1 3.95Å; H485-E556 PolarHBondContact ND1-OE1 2.68Å; H485-E556 IonicContact ND1-OE2 3.32Å; H485-E556 PolarHBondContact ND1-OE2 2.9Å |
| 486 | D | 92.4 | Very high | 93.7 | Very high | 114 Ų | 114 | 41.8 Ų | 41.8 | 61% | 0.61 | 20% | 0.202 | S | C | * | . | S | Bend | trans | 58.1 | 44.7 | -177.4 | -166.7 | 35.4 | 0 | 0 | 0 | 111.6 | D483 | D483-D486 WeakPolarHBondContact OD1-CA 3.21Å; D483-D486 PolarHBondContact OD1-N 2.89Å; D483-D486 VanDerWaalsContact OD2-CA 3.32Å; D483-D486 WeakPolarHBondContact OD2-CA 3.48Å |
| 487 | N | 93.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -85.5 | -19.9 | 176.1 | -75.8 | -44 | 0 | 0 | 0 | 112.3 | D483 H485 P489 K490 F491 K506 L552 V555 E556 | D483-N487 VanDerWaalsContact CG-N 3.33Å; D483-N487 PolarHBondContact OD1-N 2.92Å; D483-N487 PolarHBondContact OD2-N 3.4Å; H485-N487 VanDerWaalsContact C-N 3.31Å; H485-N487 PolarHBondContact O-N 3.47Å; N487-P489 VanDerWaalsContact C-CD 3.48Å; N487-K490 VanDerWaalsContact O-CB 3.25Å; N487-K490 WeakPolarHBondContact O-CB 3.46Å; N487-K490 PolarHBondContact O-N 3.17Å; N487-K490 PolarHBondContact OD1-NZ 3.43Å; N487-F491 HydrophobicContact CB-CE2 4.12Å; N487-F491 WeakPolarHBondContact O-CD2 3.31Å; N487-K506 PolarHBondContact ND2-O 3.39Å; N487-K506 PolarHBondContact OD1-N 3Å; N487-L552 HydrophobicContact CB-CD2 3.77Å; N487-V555 HydrophobicContact CB-CG2 4.44Å; N487-E556 PolarHBondContact ND2-OE1 2.93Å; N487-E556 VanDerWaalsContact ND2-OE1 3.13Å | ||
| 488 | R | 92.9 | Very high | 93.2 | Very high | 86 Ų | 86 | 45.8 Ų | 45.8 | 33% | 0.325 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -51.3 | -45.8 | -178.2 | 174.1 | -174.9 | 175.6 | -173.3 | -2.9 | 113.9 | S480 D483 K490 F491 S492 L552 | S480-R488 PolarHBondContact OG-NH1 3.06Å; D483-R488 HydrophobicContact CB-CB 4.43Å; D483-R488 WeakPolarHBondContact OD2-CA 3.37Å; D483-R488 WeakPolarHBondContact OD2-CB 3.37Å; D483-R488 PolarHBondContact OD2-N 3.19Å; R488-K490 PolarHBondContact O-N 2.87Å; R488-K490 VanDerWaalsContact O-N 3.13Å; R488-F491 PolarHBondContact O-N 3.29Å; R488-S492 PolarHBondContact O-N 3.38Å; R488-L552 HydrophobicContact CB-CD1 4.42Å |
| 489 | P | 93.5 | Very high | 92.9 | Very high | 75 Ų | 75 | 49.2 Ų | 49.2 | 49% | 0.487 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -60.5 | -24.7 | 179.8 | -23.4 | 34.9 | 0 | 0 | 0 | 113.3 | N487 F491 S492 | N487-P489 VanDerWaalsContact C-CD 3.48Å; P489-F491 VanDerWaalsContact C-N 3.28Å; P489-F491 PolarHBondContact O-N 3.2Å; P489-S492 WeakPolarHBondContact O-CB 3.47Å; P489-S492 PolarHBondContact O-N 3.3Å; P489-S492 PolarHBondContact O-OG 2.97Å |
| 490 | K | 94.1 | Very high | 92.7 | Very high | 51 Ų | 51 | 50.6 Ų | 50.6 | 22% | 0.222 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -74.7 | -21.4 | 179.7 | -55.2 | 165.7 | -175.7 | 170.9 | 0 | 112.3 | N487 R488 L503 K504 L505 | N487-K490 VanDerWaalsContact O-CB 3.25Å; N487-K490 WeakPolarHBondContact O-CB 3.46Å; N487-K490 PolarHBondContact O-N 3.17Å; N487-K490 PolarHBondContact OD1-NZ 3.43Å; R488-K490 PolarHBondContact O-N 2.87Å; R488-K490 VanDerWaalsContact O-N 3.13Å; K490-L503 WeakPolarHBondContact CD-O 3.48Å; K490-L503 WeakPolarHBondContact CE-O 3.36Å; K490-K504 PolarHBondContact NZ-O 3.46Å; K490-L505 HydrophobicContact CB-CD2 4.42Å; K490-L505 HydrophobicContact CD-CD2 3.78Å |
| 491 | F | 94.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -106 | 12.4 | 177.5 | -54.1 | -59.3 | 0 | 0 | 0 | 113.1 | N487 R488 P489 K493 L503 L505 Y547 A548 L552 V555 L602 | N487-F491 HydrophobicContact CB-CE2 4.12Å; N487-F491 WeakPolarHBondContact O-CD2 3.31Å; R488-F491 PolarHBondContact O-N 3.29Å; P489-F491 VanDerWaalsContact C-N 3.28Å; P489-F491 PolarHBondContact O-N 3.2Å; F491-K493 PolarHBondContact O-N 2.87Å; F491-L503 HydrophobicContact CE1-CD1 4.18Å; F491-L505 HydrophobicContact CE1-CD2 4.08Å; F491-L505 HydrophobicContact CE2-CD2 4.13Å; F491-L505 HydrophobicContact CZ-CD1 4.36Å; F491-L505 HydrophobicContact CZ-CD2 3.51Å; F491-Y547 HydrophobicContact CB-CD1 4.47Å; F491-Y547 HydrophobicContact CB-CE1 4.35Å; F491-Y547 HydrophobicContact CD1-CE1 4.31Å; F491-A548 HydrophobicContact CB-CB 3.85Å; F491-L552 HydrophobicContact CD2-CD2 4.18Å; F491-L552 HydrophobicContact CD2-CG 4.36Å; F491-L552 HydrophobicContact CE2-CD2 4.13Å; F491-V555 HydrophobicContact CE2-CG2 3.94Å; F491-V555 HydrophobicContact CZ-CG1 4.25Å; F491-V555 HydrophobicContact CZ-CG2 4.21Å; F491-L602 HydrophobicContact CD1-CD2 4.24Å; F491-L602 HydrophobicContact CE1-CD1 3.99Å; F491-L602 HydrophobicContact CE1-CD2 3.75Å; F491-L602 HydrophobicContact CZ-CD2 4.43Å |
| 492 | S | 88.8 | Confident | 92.3 | Very high | 71 Ų | 71 | 58.6 Ų | 58.6 | 50% | 0.497 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -65.6 | -21.3 | -173.5 | 75.2 | 0 | 0 | 0 | 0 | 114.2 | R488 P489 | R488-S492 PolarHBondContact O-N 3.38Å; P489-S492 WeakPolarHBondContact O-CB 3.47Å; P489-S492 PolarHBondContact O-N 3.3Å; P489-S492 PolarHBondContact O-OG 2.97Å |
| 493 | K | 91.4 | Very high | 92 | Very high | 144 Ų | 144 | 59.2 Ų | 59.2 | 63% | 0.626 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -124.2 | 133.1 | 176.3 | -66.8 | -168.7 | 177.6 | -169.9 | 0 | 109.5 | F491 | F491-K493 PolarHBondContact O-N 2.87Š|
| 494 | I | 94 | Very high | 91.9 | Very high | 13 Ų | 13 | 66.4 Ų | 66.4 | 7% | 0.067 | 34% | 0.344 | C | S | . | . | trans | -75.5 | 124.8 | 171.8 | -172.7 | 171.3 | 0 | 0 | 0 | 109.8 | E544 Y547 L595 A598 P632 F636 | I494-E544 HydrophobicContact CB-CG 4.14Å; I494-E544 HydrophobicContact CG2-CG 3.64Å; I494-Y547 HydrophobicContact CB-CD1 4.22Å; I494-Y547 HydrophobicContact CB-CG 4.22Å; I494-Y547 HydrophobicContact CD1-CD2 4.47Å; I494-Y547 HydrophobicContact CD1-CG 4.41Å; I494-Y547 HydrophobicContact CG1-CD1 4.39Å; I494-Y547 HydrophobicContact CG1-CD2 4.19Å; I494-Y547 HydrophobicContact CG1-CG 4.03Å; I494-L595 HydrophobicContact CD1-CB 4.19Å; I494-L595 HydrophobicContact CD1-CD1 3.99Å; I494-A598 HydrophobicContact CD1-CB 3.97Å; I494-A598 HydrophobicContact CG1-CB 3.56Å; I494-P632 HydrophobicContact CD1-CG 4.31Å; I494-P632 HydrophobicContact CG1-CB 4.14Å; I494-P632 HydrophobicContact CG1-CG 3.86Å; I494-P632 HydrophobicContact CG2-CB 4.3Å; I494-F636 HydrophobicContact CD1-CE2 3.93Å; I494-F636 HydrophobicContact CG1-CE2 4.49Å; I494-F636 HydrophobicContact CG2-CD2 3.48Å; I494-F636 VanDerWaalsContact CG2-CD2 3.48Å; I494-F636 HydrophobicContact CG2-CE2 3.38Å; I494-F636 HydrophobicContact CG2-CG 4.43Å; I494-F636 HydrophobicContact CG2-CZ 4.26Å | ||
| 495 | R | 93.7 | Very high | 91.9 | Very high | 114 Ų | 114 | 65.1 Ų | 65.1 | 43% | 0.43 | 34% | 0.342 | S | S | . | . | trans | -160.6 | 161 | -178.7 | 59.8 | -179.9 | 175.7 | 176 | -0.5 | 111 | I497 | R495-I497 HydrophobicContact CG-CG1 4.38Š| ||
| 496 | I | 95.1 | Very high | 91.9 | Very high | 24 Ų | 24 | 69.2 Ų | 69.2 | 12% | 0.123 | 36% | 0.359 | C | S | . | . | trans | -78 | 123.5 | 165.9 | -56 | -53.1 | 0 | 0 | 0 | 109 | A597 A598 N601 I620 L631 P632 E633 | I496-A597 HydrophobicContact CD1-CB 4.32Å; I496-A598 HydrophobicContact CD1-CB 4.43Å; I496-N601 HydrophobicContact CD1-CB 4.43Å; I496-I620 HydrophobicContact CD1-CD1 4.27Å; I496-I620 HydrophobicContact CG1-CG2 4.39Å; I496-I620 HydrophobicContact CG2-CD1 4.28Å; I496-I620 HydrophobicContact CG2-CG2 4.1Å; I496-L631 HydrophobicContact CD1-CD2 4.19Å; I496-L631 HydrophobicContact CG1-CD2 4.36Å; I496-P632 HydrophobicContact CD1-CG 4.33Å; I496-E633 PolarHBondContact N-OE1 3.06Å | ||
| 497 | I | 92.4 | Very high | 91.8 | Very high | 11 Ų | 11 | 67.7 Ų | 67.7 | 6% | 0.056 | 35% | 0.353 | C | S | . | . | trans | -95.8 | 118.6 | -179.6 | -60.9 | 153.9 | 0 | 0 | 0 | 108.1 | R495 D499 L503 Y547 N601 L602 Q605 | R495-I497 HydrophobicContact CG-CG1 4.38Å; I497-D499 WeakPolarHBondContact CG2-O 3.46Å; I497-L503 HydrophobicContact CD1-CD1 3.7Å; I497-L503 HydrophobicContact CG1-CD1 4.46Å; I497-Y547 WeakPolarHBondContact CD1-OH 3.49Å; I497-N601 WeakPolarHBondContact CA-OD1 3.27Å; I497-N601 PolarHBondContact N-OD1 2.94Å; I497-N601 PolarHBondContact O-ND2 3.43Å; I497-N601 PolarHBondContact O-OD1 3.26Å; I497-N601 VanDerWaalsContact O-OD1 3.07Å; I497-L602 HydrophobicContact CD1-CD1 3.93Å; I497-Q605 PolarHBondContact O-NE2 2.7Å | ||
| 498 | S | 88.8 | Confident | 91.4 | Very high | 113 Ų | 113 | 72.4 Ų | 72.4 | 79% | 0.79 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -76.8 | -35.5 | 176.8 | -46.4 | 0 | 0 | 0 | 0 | 113 | ||
| 499 | D | 88.5 | Confident | 91.1 | Very high | 77 Ų | 77 | 78 Ų | 78 | 41% | 0.412 | 41% | 0.405 | S | S | . | . | trans | -142.3 | 113.8 | 176.7 | 175.3 | 13 | 0 | 0 | 0 | 110 | I497 S501 V502 | I497-D499 WeakPolarHBondContact CG2-O 3.46Å; D499-S501 PolarHBondContact O-N 3.16Å; D499-S501 WeakPolarHBondContact OD1-CB 3.32Å; D499-S501 PolarHBondContact OD1-N 3.4Å; D499-S501 PolarHBondContact OD1-OG 3.48Å; D499-V502 HydrophobicContact CB-CG2 4.18Å; D499-V502 WeakPolarHBondContact O-CB 3.12Å; D499-V502 WeakPolarHBondContact O-CG2 3.18Å; D499-V502 PolarHBondContact O-N 3.42Å | ||
| 500 | I | 91.9 | Very high | 90.8 | Very high | 32 Ų | 32 | 75.6 Ų | 75.6 | 16% | 0.164 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -61.3 | -24.4 | 179.4 | -162.9 | 163.4 | 0 | 0 | 0 | 113.2 | V502 L503 L505 L602 Q605 L606 | I500-V502 PolarHBondContact O-N 2.99Å; I500-V502 VanDerWaalsContact O-N 3.17Å; I500-L503 HydrophobicContact CG1-CD1 4.41Å; I500-L503 WeakPolarHBondContact O-CB 3.29Å; I500-L503 PolarHBondContact O-N 3.43Å; I500-L505 HydrophobicContact CD1-CD1 3.87Å; I500-L505 HydrophobicContact CG1-CD1 3.82Å; I500-L602 HydrophobicContact CD1-CD1 3.92Å; I500-Q605 HydrophobicContact CB-CB 3.97Å; I500-Q605 HydrophobicContact CD1-CB 3.87Å; I500-Q605 HydrophobicContact CG2-CB 4.07Å; I500-L606 HydrophobicContact CD1-CD2 3.46Å; I500-L606 VanDerWaalsContact CD1-CD2 3.46Å; I500-L606 HydrophobicContact CD1-CG 3.61Å |
| 501 | S | 89.9 | Confident | 90.6 | Very high | 81 Ų | 81 | 75.1 Ų | 75.1 | 57% | 0.566 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -60.5 | -27.7 | 178.7 | -46.7 | 0 | 0 | 0 | 0 | 112 | D499 L503 K504 | D499-S501 PolarHBondContact O-N 3.16Å; D499-S501 WeakPolarHBondContact OD1-CB 3.32Å; D499-S501 PolarHBondContact OD1-N 3.4Å; D499-S501 PolarHBondContact OD1-OG 3.48Å; S501-L503 PolarHBondContact O-N 3.37Å; S501-K504 PolarHBondContact O-N 3.27Å; S501-K504 VanDerWaalsContact O-N 3.15Å |
| 502 | V | 90.2 | Very high | 90.4 | Very high | 102 Ų | 102 | 85.1 Ų | 85.1 | 62% | 0.618 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -62.2 | -31.1 | 176.6 | 179.3 | 0 | 0 | 0 | 0 | 111.7 | D499 I500 K504 | D499-V502 HydrophobicContact CB-CG2 4.18Å; D499-V502 WeakPolarHBondContact O-CB 3.12Å; D499-V502 WeakPolarHBondContact O-CG2 3.18Å; D499-V502 PolarHBondContact O-N 3.42Å; I500-V502 PolarHBondContact O-N 2.99Å; I500-V502 VanDerWaalsContact O-N 3.17Å; V502-K504 VanDerWaalsContact C-N 3.29Å; V502-K504 PolarHBondContact O-N 2.95Å |
| 503 | L | 88.9 | Confident | 90.5 | Very high | 13 Ų | 13 | 86 Ų | 86 | 7% | 0.068 | 43% | 0.428 | C | S | . | . | G | 310 helix | trans | -73.2 | -21.4 | 179.7 | -61.4 | -176.2 | 0 | 0 | 0 | 112.6 | K490 F491 I497 I500 S501 L505 | K490-L503 WeakPolarHBondContact CD-O 3.48Å; K490-L503 WeakPolarHBondContact CE-O 3.36Å; F491-L503 HydrophobicContact CE1-CD1 4.18Å; I497-L503 HydrophobicContact CD1-CD1 3.7Å; I497-L503 HydrophobicContact CG1-CD1 4.46Å; I500-L503 HydrophobicContact CG1-CD1 4.41Å; I500-L503 WeakPolarHBondContact O-CB 3.29Å; I500-L503 PolarHBondContact O-N 3.43Å; S501-L503 PolarHBondContact O-N 3.37Å; L503-L505 VanDerWaalsContact C-N 3.3Å; L503-L505 HydrophobicContact CB-CD1 4.47Å; L503-L505 HydrophobicContact CB-CD2 4.07Å; L503-L505 HydrophobicContact CB-CG 3.86Å; L503-L505 HydrophobicContact CD1-CD1 4.32Å; L503-L505 HydrophobicContact CD1-CD2 4.39Å; L503-L505 HydrophobicContact CD1-CG 4.45Å; L503-L505 PolarHBondContact O-N 3.22Å |
| 504 | K | 91.7 | Very high | 90.5 | Very high | 170 Ų | 170 | 79.2 Ų | 79.2 | 74% | 0.739 | 40% | 0.398 | S | S | * | . | trans | 48.6 | 51.9 | -175.9 | -60.1 | 179.9 | 179 | 179.2 | 0 | 111.5 | K490 S501 V502 | K490-K504 PolarHBondContact NZ-O 3.46Å; S501-K504 PolarHBondContact O-N 3.27Å; S501-K504 VanDerWaalsContact O-N 3.15Å; V502-K504 VanDerWaalsContact C-N 3.29Å; V502-K504 PolarHBondContact O-N 2.95Å | ||
| 505 | L | 92.7 | Very high | 90.4 | Very high | 36 Ų | 36 | 81.1 Ų | 81.1 | 19% | 0.188 | 41% | 0.409 | C | S | . | . | trans | -62.9 | 141.5 | -179 | -63.9 | 170 | 0 | 0 | 0 | 110.5 | K490 F491 I500 L503 V507 V555 L606 | K490-L505 HydrophobicContact CB-CD2 4.42Å; K490-L505 HydrophobicContact CD-CD2 3.78Å; F491-L505 HydrophobicContact CE1-CD2 4.08Å; F491-L505 HydrophobicContact CE2-CD2 4.13Å; F491-L505 HydrophobicContact CZ-CD1 4.36Å; F491-L505 HydrophobicContact CZ-CD2 3.51Å; I500-L505 HydrophobicContact CD1-CD1 3.87Å; I500-L505 HydrophobicContact CG1-CD1 3.82Å; L503-L505 VanDerWaalsContact C-N 3.3Å; L503-L505 HydrophobicContact CB-CD1 4.47Å; L503-L505 HydrophobicContact CB-CD2 4.07Å; L503-L505 HydrophobicContact CB-CG 3.86Å; L503-L505 HydrophobicContact CD1-CD1 4.32Å; L503-L505 HydrophobicContact CD1-CD2 4.39Å; L503-L505 HydrophobicContact CD1-CG 4.45Å; L503-L505 PolarHBondContact O-N 3.22Å; L505-V507 HydrophobicContact CB-CG2 4.02Å; L505-V555 HydrophobicContact CD1-CG1 4.06Å; L505-L606 HydrophobicContact CD1-CD2 3.95Å | ||
| 506 | K | 91.7 | Very high | 90.4 | Very high | 126 Ų | 126 | 79.9 Ų | 79.9 | 55% | 0.548 | 41% | 0.41 | S | S | . | . | trans | -101.6 | 116.5 | 169.4 | -70.2 | 178.6 | -178.1 | 173.3 | 0 | 106.6 | H485 N487 | H485-K506 HydrophobicContact CB-CB 3.76Å; H485-K506 HydrophobicContact CB-CD 4.27Å; N487-K506 PolarHBondContact ND2-O 3.39Å; N487-K506 PolarHBondContact OD1-N 3Å | ||
| 507 | V | 89.3 | Confident | 90.4 | Very high | 82 Ų | 82 | 78.7 Ų | 78.7 | 50% | 0.497 | 40% | 0.404 | S | S | . | . | trans | -129.4 | 118.5 | -174.1 | -176.8 | 0 | 0 | 0 | 0 | 107.7 | L505 V555 | L505-V507 HydrophobicContact CB-CG2 4.02Å; V507-V555 HydrophobicContact CG2-CB 4.09Å; V507-V555 HydrophobicContact CG2-CG1 3.96Å | ||
| 508 | D | 85.7 | Confident | 90.5 | Very high | 100 Ų | 100 | 78.8 Ų | 78.8 | 54% | 0.535 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -97.5 | 157.2 | 173.9 | -83.6 | 6.7 | 0 | 0 | 0 | 110.2 | H485 C510 | H485-D508 IonicContact CE1-OD2 3.24Å; H485-D508 IonicContact NE2-OD1 2.75Å; H485-D508 IonicContact NE2-OD2 3Å; H485-D508 PolarHBondContact NE2-OD2 2.84Å; D508-C510 PolarHBondContact O-N 3.25Å |
| 509 | K | 85.7 | Confident | 90.6 | Very high | 202 Ų | 202 | 82.3 Ų | 82.3 | 88% | 0.878 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -68 | 126.2 | 176.8 | -172.6 | 175.2 | -179.1 | 176.2 | 0 | 109.8 | S511 | K509-S511 PolarHBondContact O-N 3Š|
| 510 | C | 87.3 | Confident | 90.8 | Very high | 25 Ų | 25 | 83.4 Ų | 83.4 | 17% | 0.169 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -53.2 | 125.2 | 177.1 | -175.6 | 0 | 0 | 0 | 0 | 111.4 | D508 D514 N515 L557 | D508-C510 PolarHBondContact O-N 3.25Å; C510-D514 WeakPolarHBondContact SG-CB 3.44Å; C510-N515 PolarHBondContact SG-OD1 3.26Å; C510-N515 VanDerWaalsContact SG-OD1 3.36Å; C510-L557 PolarHBondContact SG-O 2.9Å |
| 511 | S | 90.4 | Very high | 90.8 | Very high | 42 Ų | 42 | 82.1 Ų | 82.1 | 29% | 0.294 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -82.4 | 166.4 | -175.5 | 76.2 | 0 | 0 | 0 | 0 | 112.4 | K509 Q513 D514 N515 | K509-S511 PolarHBondContact O-N 3Å; S511-Q513 PolarHBondContact O-N 2.98Å; S511-Q513 PolarHBondContact OG-N 3.28Å; S511-D514 WeakPolarHBondContact CB-OD2 3.39Å; S511-D514 PolarHBondContact N-OD2 3.36Å; S511-D514 VanDerWaalsContact N-OD2 3.09Å; S511-D514 PolarHBondContact O-N 3.24Å; S511-D514 PolarHBondContact OG-N 2.93Å; S511-D514 VanDerWaalsContact OG-N 3.11Å; S511-D514 PolarHBondContact OG-OD2 3.39Å; S511-N515 PolarHBondContact O-N 3.34Å; S511-N515 PolarHBondContact O-ND2 2.96Å; S511-N515 VanDerWaalsContact O-ND2 3.12Å |
| 512 | R | 90.3 | Very high | 90.9 | Very high | 210 Ų | 210 | 78.6 Ų | 78.6 | 79% | 0.792 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -60.2 | -34.1 | 172.9 | -177.4 | 176.7 | 173.3 | 177.8 | -2 | 112.2 | L516 | R512-L516 WeakPolarHBondContact O-CG 3.44Å; R512-L516 PolarHBondContact O-N 3.18Å; R512-L516 VanDerWaalsContact O-N 3.11Å |
| 513 | Q | 90.4 | Very high | 90.8 | Very high | 89 Ų | 89 | 77.4 Ų | 77.4 | 42% | 0.416 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -70.7 | -40.2 | 178 | -69.3 | -179.7 | -12 | 0 | 0 | 111.2 | N446 S511 N515 L516 F517 | N446-Q513 PolarHBondContact ND2-OE1 2.99Å; S511-Q513 PolarHBondContact O-N 2.98Å; S511-Q513 PolarHBondContact OG-N 3.28Å; Q513-N515 VanDerWaalsContact C-N 3.33Å; Q513-N515 PolarHBondContact O-N 3.03Å; Q513-L516 PolarHBondContact O-N 2.72Å; Q513-F517 PolarHBondContact O-N 3.11Å |
| 514 | D | 92.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 78.4 Ų | 78.4 | 1% | 0.005 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 174.9 | -59.8 | -34.6 | 0 | 0 | 0 | 111 | R484 C510 S511 L516 F517 M518 L557 | R484-D514 IonicContact CZ-OD1 2.62Å; R484-D514 IonicContact CZ-OD2 3.82Å; R484-D514 IonicContact NH1-OD1 3.33Å; R484-D514 PolarHBondContact NH1-OD1 3.47Å; R484-D514 IonicContact NH1-OD2 2.86Å; R484-D514 PolarHBondContact NH1-OD2 3.46Å; R484-D514 IonicContact NH2-OD1 3.66Å; R484-D514 IonicContact NH2-OD2 3.3Å; R484-D514 PolarHBondContact NH2-OD2 3.35Å; C510-D514 WeakPolarHBondContact SG-CB 3.44Å; S511-D514 WeakPolarHBondContact CB-OD2 3.39Å; S511-D514 PolarHBondContact N-OD2 3.36Å; S511-D514 VanDerWaalsContact N-OD2 3.09Å; S511-D514 PolarHBondContact O-N 3.24Å; S511-D514 PolarHBondContact OG-N 2.93Å; S511-D514 VanDerWaalsContact OG-N 3.11Å; S511-D514 PolarHBondContact OG-OD2 3.39Å; D514-L516 PolarHBondContact O-N 3.3Å; D514-F517 WeakPolarHBondContact O-CB 3.46Å; D514-F517 PolarHBondContact O-N 2.9Å; D514-M518 PolarHBondContact O-N 3.18Å; D514-L557 HydrophobicContact CB-CD2 4.09Å |
| 515 | N | 92.1 | Very high | 90.9 | Very high | 54 Ų | 54 | 70.4 Ų | 70.4 | 29% | 0.289 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.6 | -42.4 | 173.8 | -69.5 | -40.2 | 0 | 0 | 0 | 112.6 | C510 S511 Q513 K519 N559 | C510-N515 PolarHBondContact SG-OD1 3.26Å; C510-N515 VanDerWaalsContact SG-OD1 3.36Å; S511-N515 PolarHBondContact O-N 3.34Å; S511-N515 PolarHBondContact O-ND2 2.96Å; S511-N515 VanDerWaalsContact O-ND2 3.12Å; Q513-N515 VanDerWaalsContact C-N 3.33Å; Q513-N515 PolarHBondContact O-N 3.03Å; N515-K519 VanDerWaalsContact O-CB 3.28Å; N515-K519 WeakPolarHBondContact O-CB 3.36Å; N515-K519 PolarHBondContact O-N 3.43Å; N515-N559 WeakPolarHBondContact OD1-CB 3.13Å; N515-N559 PolarHBondContact OD1-ND2 2.61Å |
| 516 | L | 92.9 | Very high | 90.9 | Very high | 87 Ų | 87 | 69 Ų | 69 | 46% | 0.455 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.8 | -42 | 176.2 | -73.7 | 168.2 | 0 | 0 | 0 | 111.4 | L448 R512 Q513 D514 K519 K520 | L448-L516 HydrophobicContact CD1-CB 4.2Å; R512-L516 WeakPolarHBondContact O-CG 3.44Å; R512-L516 PolarHBondContact O-N 3.18Å; R512-L516 VanDerWaalsContact O-N 3.11Å; Q513-L516 PolarHBondContact O-N 2.72Å; D514-L516 PolarHBondContact O-N 3.3Å; L516-K519 PolarHBondContact O-N 2.87Å; L516-K520 WeakPolarHBondContact O-CB 3.35Å; L516-K520 PolarHBondContact O-N 3.35Å |
| 517 | F | 94.8 | Very high | 91 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.7 | -51.2 | 174.4 | 175.7 | -95.6 | 0 | 0 | 0 | 111.3 | M447 L448 L451 L456 Q513 D514 K519 K520 H521 L525 L557 | M447-F517 HydrophobicContact CB-CB 4.09Å; M447-F517 HydrophobicContact CB-CD1 4.08Å; M447-F517 HydrophobicContact CB-CD2 3.76Å; M447-F517 HydrophobicContact CB-CE1 4.5Å; M447-F517 HydrophobicContact CB-CE2 4.23Å; M447-F517 HydrophobicContact CB-CG 3.69Å; L448-F517 HydrophobicContact CD2-CB 4.13Å; L448-F517 HydrophobicContact CD2-CD2 4.06Å; L448-F517 HydrophobicContact CG-CB 4.11Å; L448-F517 HydrophobicContact CG-CD2 4.4Å; L451-F517 HydrophobicContact CB-CE2 3.89Å; L451-F517 HydrophobicContact CB-CZ 4.32Å; L451-F517 HydrophobicContact CD1-CE2 4.3Å; L451-F517 HydrophobicContact CD1-CZ 3.92Å; L456-F517 HydrophobicContact CD2-CE2 4.33Å; L456-F517 HydrophobicContact CD2-CZ 4.29Å; Q513-F517 PolarHBondContact O-N 3.11Å; D514-F517 WeakPolarHBondContact O-CB 3.46Å; D514-F517 PolarHBondContact O-N 2.9Å; F517-K519 VanDerWaalsContact C-N 3.33Å; F517-K519 PolarHBondContact O-N 2.96Å; F517-K520 PolarHBondContact O-N 3.33Å; F517-K520 VanDerWaalsContact O-N 3.13Å; F517-H521 AromaticContact CD2-CD2 3.57Å; F517-H521 HydrophobicContact CE1-CB 4.49Å; F517-H521 HydrophobicContact CE2-CB 4.18Å; F517-H521 AromaticContact CE2-CD2 3.53Å; F517-H521 HydrophobicContact CZ-CB 4.12Å; F517-H521 PolarHBondContact O-N 2.77Å; F517-L525 HydrophobicContact CE1-CD1 3.89Å; F517-L525 HydrophobicContact CZ-CD1 4.2Å; F517-L557 HydrophobicContact CD1-CD1 4.09Å; F517-L557 HydrophobicContact CE1-CD1 3.89Å |
| 518 | M | 94.3 | Very high | 91 | Very high | 13 Ų | 13 | 61.7 Ų | 61.7 | 6% | 0.064 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.2 | -33.4 | 180 | -72.5 | -53.7 | -65.7 | 0 | 0 | 112.8 | D514 K520 G522 L525 L557 V562 | D514-M518 PolarHBondContact O-N 3.18Å; M518-K520 VanDerWaalsContact C-N 3.28Å; M518-K520 PolarHBondContact O-N 3.21Å; M518-G522 WeakPolarHBondContact O-CA 3.24Å; M518-G522 PolarHBondContact O-N 2.96Å; M518-L525 HydrophobicContact SD-CD1 4.28Å; M518-L557 HydrophobicContact CG-CB 3.93Å; M518-L557 HydrophobicContact SD-CB 3.99Å; M518-L557 HydrophobicContact SD-CD1 4.04Å; M518-V562 HydrophobicContact CB-CG2 3.69Å; M518-V562 HydrophobicContact CE-CG1 3.64Å; M518-V562 HydrophobicContact CE-CG2 4.23Å; M518-V562 HydrophobicContact CG-CG2 4.05Å |
| 519 | K | 91.4 | Very high | 91.4 | Very high | 186 Ų | 186 | 57 Ų | 57 | 81% | 0.809 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -62.7 | -37 | 172.6 | -175.2 | 175 | 179.5 | 177.4 | 0 | 112 | N515 L516 F517 | N515-K519 VanDerWaalsContact O-CB 3.28Å; N515-K519 WeakPolarHBondContact O-CB 3.36Å; N515-K519 PolarHBondContact O-N 3.43Å; L516-K519 PolarHBondContact O-N 2.87Å; F517-K519 VanDerWaalsContact C-N 3.33Å; F517-K519 PolarHBondContact O-N 2.96Å |
| 520 | K | 92.3 | Very high | 91.8 | Very high | 100 Ų | 100 | 48.7 Ų | 48.7 | 44% | 0.435 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -82.4 | -46.9 | -178.8 | -170 | 177.6 | 178.4 | -161.7 | 0 | 112.8 | D453 L516 F517 M518 | D453-K520 WeakPolarHBondContact OD1-CE 2.94Å; D453-K520 IonicContact OD1-NZ 3.18Å; D453-K520 PolarHBondContact OD1-NZ 3.26Å; D453-K520 WeakPolarHBondContact OD2-CE 3.44Å; D453-K520 IonicContact OD2-NZ 3.69Å; D453-K520 PolarHBondContact OD2-NZ 3.35Å; L516-K520 WeakPolarHBondContact O-CB 3.35Å; L516-K520 PolarHBondContact O-N 3.35Å; F517-K520 PolarHBondContact O-N 3.33Å; F517-K520 VanDerWaalsContact O-N 3.13Å; M518-K520 VanDerWaalsContact C-N 3.28Å; M518-K520 PolarHBondContact O-N 3.21Å |
| 521 | H | 91.9 | Very high | 92 | Very high | 5 Ų | 5 | 49.2 Ų | 49.2 | 2% | 0.023 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -112 | -8.6 | -169 | -61.6 | -63.5 | 0 | 0 | 0 | 114.6 | D453 L456 F517 Q523 H524 L525 | D453-H521 IonicContact OD1-CE1 2.76Å; D453-H521 PolarHBondContact OD1-CE1 3.13Å; D453-H521 IonicContact OD1-NE2 3.98Å; D453-H521 PolarHBondContact OD1-NE2 3.09Å; L456-H521 HydrophobicContact CD2-CB 3.8Å; F517-H521 AromaticContact CD2-CD2 3.57Å; F517-H521 HydrophobicContact CE1-CB 4.49Å; F517-H521 HydrophobicContact CE2-CB 4.18Å; F517-H521 AromaticContact CE2-CD2 3.53Å; F517-H521 HydrophobicContact CZ-CB 4.12Å; F517-H521 PolarHBondContact O-N 2.77Å; H521-Q523 VanDerWaalsContact C-N 3.32Å; H521-Q523 PolarHBondContact O-N 3.16Å; H521-H524 WeakPolarHBondContact O-CB 3.4Å; H521-H524 PolarHBondContact O-N 3.38Å; H521-H524 VanDerWaalsContact O-N 3.07Å; H521-L525 PolarHBondContact O-N 3.11Å |
| 522 | G | 91.6 | Very high | 91.9 | Very high | 7 Ų | 7 | 47.4 Ų | 47.4 | 7% | 0.072 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.7 | -41.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | M518 H524 L525 C526 | M518-G522 WeakPolarHBondContact O-CA 3.24Å; M518-G522 PolarHBondContact O-N 2.96Å; G522-H524 PolarHBondContact O-N 3Å; G522-L525 PolarHBondContact O-N 3.2Å; G522-C526 WeakPolarHBondContact O-CB 3.46Å; G522-C526 PolarHBondContact O-N 2.87Å; G522-C526 PolarHBondContact O-SG 3.33Å |
| 523 | Q | 89.2 | Confident | 92 | Very high | 77 Ų | 77 | 37.4 Ų | 37.4 | 36% | 0.36 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -65 | -39.1 | 176.4 | -177.8 | 169 | -3.7 | 0 | 0 | 112.3 | H521 R527 Q681 | H521-Q523 VanDerWaalsContact C-N 3.32Å; H521-Q523 PolarHBondContact O-N 3.16Å; Q523-R527 VanDerWaalsContact O-CB 3.24Å; Q523-R527 WeakPolarHBondContact O-CB 3.36Å; Q523-R527 PolarHBondContact O-N 3.12Å; Q523-Q681 PolarHBondContact NE2-O 3.09Å |
| 524 | H | 88.8 | Confident | 91.9 | Very high | 35 Ų | 35 | 37.2 Ų | 37.2 | 16% | 0.162 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.8 | -49.8 | 175.6 | -68.7 | -100 | 0 | 0 | 0 | 110.1 | L460 H521 G522 C526 R527 H528 D686 | L460-H524 HydrophobicContact CD1-CB 3.98Å; H521-H524 WeakPolarHBondContact O-CB 3.4Å; H521-H524 PolarHBondContact O-N 3.38Å; H521-H524 VanDerWaalsContact O-N 3.07Å; G522-H524 PolarHBondContact O-N 3Å; H524-C526 PolarHBondContact O-N 3.04Å; H524-R527 WeakPolarHBondContact O-CB 3.37Å; H524-R527 PolarHBondContact O-N 3.3Å; H524-H528 PolarHBondContact O-CD2 3.18Å; H524-H528 PolarHBondContact O-N 2.73Å; H524-D686 IonicContact CE1-OD1 3.92Å; H524-D686 IonicContact CE1-OD2 3.76Å |
| 525 | L | 93.5 | Very high | 91.6 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.9 | -47.8 | 177.5 | -69.3 | 168.9 | 0 | 0 | 0 | 112.1 | L456 L460 F517 M518 H521 G522 R527 H528 I529 L553 | L456-L525 HydrophobicContact CD1-CD2 4.46Å; L460-L525 HydrophobicContact CD2-CD2 4.26Å; F517-L525 HydrophobicContact CE1-CD1 3.89Å; F517-L525 HydrophobicContact CZ-CD1 4.2Å; M518-L525 HydrophobicContact SD-CD1 4.28Å; H521-L525 PolarHBondContact O-N 3.11Å; G522-L525 PolarHBondContact O-N 3.2Å; L525-R527 VanDerWaalsContact C-N 3.32Å; L525-R527 PolarHBondContact O-N 3.2Å; L525-H528 PolarHBondContact O-N 2.89Å; L525-I529 WeakPolarHBondContact O-CG1 3.45Å; L525-I529 PolarHBondContact O-N 2.84Å; L525-L553 HydrophobicContact CD1-CD2 4.09Å |
| 526 | C | 93.8 | Very high | 91.2 | Very high | 5 Ų | 5 | 40.9 Ų | 40.9 | 3% | 0.034 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.6 | -41.7 | 177.5 | -67.1 | 0 | 0 | 0 | 0 | 111.9 | G522 H524 H528 I529 Y530 L569 Y678 | G522-C526 WeakPolarHBondContact O-CB 3.46Å; G522-C526 PolarHBondContact O-N 2.87Å; G522-C526 PolarHBondContact O-SG 3.33Å; H524-C526 PolarHBondContact O-N 3.04Å; C526-H528 VanDerWaalsContact C-N 3.31Å; C526-H528 PolarHBondContact O-N 3.13Å; C526-I529 PolarHBondContact O-N 3.22Å; C526-Y530 PolarHBondContact O-N 2.99Å; C526-L569 HydrophobicContact CB-CD2 3.97Å; C526-Y678 HydrophobicContact CB-CE2 4.05Å |
| 527 | R | 91.8 | Very high | 90.9 | Very high | 33 Ų | 33 | 40 Ų | 40 | 13% | 0.125 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63 | -40.6 | 178.2 | -179.1 | 179.3 | 176.4 | -83 | -0.1 | 111.2 | Q523 H524 L525 Y530 L531 Y678 P680 Y682 | Q523-R527 VanDerWaalsContact O-CB 3.24Å; Q523-R527 WeakPolarHBondContact O-CB 3.36Å; Q523-R527 PolarHBondContact O-N 3.12Å; H524-R527 WeakPolarHBondContact O-CB 3.37Å; H524-R527 PolarHBondContact O-N 3.3Å; L525-R527 VanDerWaalsContact C-N 3.32Å; L525-R527 PolarHBondContact O-N 3.2Å; R527-Y530 PolarHBondContact O-N 3.34Å; R527-L531 HydrophobicContact CG-CD1 4.01Å; R527-L531 HydrophobicContact CG-CG 4.41Å; R527-L531 VanDerWaalsContact CZ-CD1 3.47Å; R527-L531 WeakPolarHBondContact O-CB 3.31Å; R527-L531 WeakPolarHBondContact O-CG 3.26Å; R527-L531 PolarHBondContact O-N 2.86Å; R527-Y678 WeakPolarHBondContact CA-OH 3.22Å; R527-Y678 WeakPolarHBondContact CB-OH 3.28Å; R527-Y678 PolarHBondContact N-OH 3.42Å; R527-P680 HydrophobicContact CG-CB 4.28Å; R527-Y682 VanDerWaalsContact NH2-CZ 3.32Å; R527-Y682 PolarHBondContact NH2-OH 3.01Å |
| 528 | H | 90.6 | Very high | 90.6 | Very high | 23 Ų | 23 | 40.3 Ų | 40.3 | 11% | 0.106 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.3 | -38.2 | 178.2 | -86.3 | -83.4 | 0 | 0 | 0 | 112.8 | L460 S463 L464 H524 L525 C526 G532 | L460-H528 WeakPolarHBondContact CB-NE2 3.42Å; L460-H528 HydrophobicContact CD2-CB 4.03Å; L460-H528 PolarHBondContact O-CE1 3.5Å; L460-H528 PolarHBondContact O-ND1 3Å; L460-H528 VanDerWaalsContact O-ND1 3.16Å; S463-H528 PolarHBondContact OG-ND1 3.43Å; L464-H528 WeakPolarHBondContact CD1-CE1 3.4Å; L464-H528 WeakPolarHBondContact CG-CE1 3.47Å; H524-H528 PolarHBondContact O-CD2 3.18Å; H524-H528 PolarHBondContact O-N 2.73Å; L525-H528 PolarHBondContact O-N 2.89Å; C526-H528 VanDerWaalsContact C-N 3.31Å; C526-H528 PolarHBondContact O-N 3.13Å; H528-G532 PolarHBondContact O-N 2.76Å |
| 529 | I | 94.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.7 | -44.6 | 172.7 | -63.8 | 169.2 | 0 | 0 | 0 | 110.6 | L525 C526 G532 C533 L546 L549 L550 L553 L569 L573 | L525-I529 WeakPolarHBondContact O-CG1 3.45Å; L525-I529 PolarHBondContact O-N 2.84Å; C526-I529 PolarHBondContact O-N 3.22Å; I529-G532 PolarHBondContact O-N 3.47Å; I529-C533 PolarHBondContact O-N 3.2Å; I529-C533 PolarHBondContact O-SG 3.19Å; I529-L546 HydrophobicContact CG2-CD2 4.42Å; I529-L549 HydrophobicContact CD1-CD2 4Å; I529-L549 HydrophobicContact CD1-CG 4.19Å; I529-L549 HydrophobicContact CG1-CD2 3.86Å; I529-L550 HydrophobicContact CD1-CD2 3.72Å; I529-L550 HydrophobicContact CD1-CG 4.13Å; I529-L550 HydrophobicContact CG2-CD1 4.33Å; I529-L550 HydrophobicContact CG2-CD2 4.21Å; I529-L550 HydrophobicContact CG2-CG 4.27Å; I529-L553 HydrophobicContact CD1-CD1 3.82Å; I529-L569 HydrophobicContact CB-CD2 4.11Å; I529-L569 HydrophobicContact CD1-CD2 4.26Å; I529-L569 HydrophobicContact CG2-CD2 4.04Å; I529-L573 HydrophobicContact CG2-CD1 4.48Å |
| 530 | Y | 93.8 | Very high | 90.4 | Very high | 28 Ų | 28 | 37.3 Ų | 37.3 | 11% | 0.11 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.6 | -51.8 | 176.9 | -175.5 | -85 | 0 | 0 | 0 | 111.9 | C526 R527 C533 L569 A572 L573 L576 Y678 P680 | C526-Y530 PolarHBondContact O-N 2.99Å; R527-Y530 PolarHBondContact O-N 3.34Å; Y530-C533 WeakPolarHBondContact O-CB 3.25Å; Y530-C533 PolarHBondContact O-N 3.39Å; Y530-L569 HydrophobicContact CD2-CD1 4.26Å; Y530-A572 HydrophobicContact CD2-CB 4.31Å; Y530-A572 HydrophobicContact CE2-CB 4.04Å; Y530-L573 HydrophobicContact CD2-CD2 4.07Å; Y530-L576 HydrophobicContact CE1-CD2 4.39Å; Y530-L576 HydrophobicContact CE2-CB 4.12Å; Y530-L576 HydrophobicContact CE2-CD2 4.24Å; Y530-Y678 HydrophobicContact CD2-CD1 4.45Å; Y530-Y678 HydrophobicContact CD2-CE1 4.37Å; Y530-Y678 HydrophobicContact CG-CE1 4.43Å; Y530-P680 HydrophobicContact CD1-CB 3.93Å; Y530-P680 HydrophobicContact CD1-CG 3.79Å; Y530-P680 HydrophobicContact CE1-CB 4.34Å; Y530-P680 HydrophobicContact CE1-CG 3.68Å; Y530-P680 HydrophobicContact CG-CB 4.3Å; Y530-P680 HydrophobicContact CG-CG 4.37Å |
| 531 | L | 90.4 | Very high | 90.5 | Very high | 35 Ų | 35 | 37.1 Ų | 37.1 | 18% | 0.183 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.3 | -34.8 | -179.3 | -67.6 | 176.4 | 0 | 0 | 0 | 112.4 | L464 R527 C533 K534 | L464-L531 HydrophobicContact CD1-CD1 3.94Å; L464-L531 HydrophobicContact CD2-CB 3.52Å; L464-L531 HydrophobicContact CD2-CD1 3.82Å; L464-L531 HydrophobicContact CD2-CG 4.34Å; R527-L531 HydrophobicContact CG-CD1 4.01Å; R527-L531 HydrophobicContact CG-CG 4.41Å; R527-L531 VanDerWaalsContact CZ-CD1 3.47Å; R527-L531 WeakPolarHBondContact O-CB 3.31Å; R527-L531 WeakPolarHBondContact O-CG 3.26Å; R527-L531 PolarHBondContact O-N 2.86Å; L531-C533 PolarHBondContact O-N 3.41Å; L531-K534 VanDerWaalsContact O-CB 3.27Å; L531-K534 WeakPolarHBondContact O-CB 3.34Å; L531-K534 PolarHBondContact O-N 3.27Å |
| 532 | G | 89.3 | Confident | 90.6 | Very high | 4 Ų | 4 | 37 Ų | 37 | 4% | 0.041 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.6 | -33.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | H528 I529 K534 H542 | H528-G532 PolarHBondContact O-N 2.76Å; I529-G532 PolarHBondContact O-N 3.47Å; G532-K534 VanDerWaalsContact C-N 3.27Å; G532-K534 PolarHBondContact O-N 2.98Å; G532-H542 PolarHBondContact O-CE1 3.36Å; G532-H542 VanDerWaalsContact O-CE1 3.31Å |
| 533 | C | 91.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -73 | -17.9 | 174.8 | -66.8 | 0 | 0 | 0 | 0 | 113.8 | I529 Y530 L531 E535 L573 L576 V592 L595 | I529-C533 PolarHBondContact O-N 3.2Å; I529-C533 PolarHBondContact O-SG 3.19Å; Y530-C533 WeakPolarHBondContact O-CB 3.25Å; Y530-C533 PolarHBondContact O-N 3.39Å; L531-C533 PolarHBondContact O-N 3.41Å; C533-E535 VanDerWaalsContact C-N 3.3Å; C533-L573 HydrophobicContact CB-CD2 3.62Å; C533-L576 HydrophobicContact CB-CD2 4.06Å; C533-V592 HydrophobicContact CB-CG2 3.91Å; C533-L595 VanDerWaalsContact SG-CD2 3.59Å |
| 534 | K | 88.8 | Confident | 91.1 | Very high | 85 Ų | 85 | 34.6 Ų | 34.6 | 37% | 0.37 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -9.2 | 179 | -171.8 | 165.8 | 178 | 149.7 | 0 | 113.2 | L531 G532 E582 L584 | L531-K534 VanDerWaalsContact O-CB 3.27Å; L531-K534 WeakPolarHBondContact O-CB 3.34Å; L531-K534 PolarHBondContact O-N 3.27Å; G532-K534 VanDerWaalsContact C-N 3.27Å; G532-K534 PolarHBondContact O-N 2.98Å; K534-E582 WeakPolarHBondContact CD-OE2 3.37Å; K534-E582 WeakPolarHBondContact CE-OE2 3.33Å; K534-E582 WeakPolarHBondContact CG-OE2 3.22Å; K534-E582 IonicContact NZ-OE1 2.93Å; K534-E582 PolarHBondContact NZ-OE1 3.05Å; K534-E582 IonicContact NZ-OE2 3.28Å; K534-E582 PolarHBondContact NZ-OE2 3.34Å; K534-L584 WeakPolarHBondContact O-CD2 3.4Å |
| 535 | E | 86.9 | Confident | 91.4 | Very high | 33 Ų | 33 | 33.6 Ų | 33.6 | 15% | 0.154 | 16% | 0.164 | C | C | . | . | trans | -80.9 | 126.5 | -174.4 | -68.4 | -64.4 | 137.1 | 0 | 0 | 113.4 | N466 R471 C533 N537 S538 | N466-E535 PolarHBondContact OD1-OE2 2.86Å; R471-E535 VanDerWaalsContact CZ-CB 3.47Å; R471-E535 IonicContact CZ-OE2 3.78Å; R471-E535 VanDerWaalsContact NH1-CD 3.35Å; R471-E535 VanDerWaalsContact NH1-CG 3.29Å; R471-E535 IonicContact NH1-OE2 3.04Å; R471-E535 PolarHBondContact NH1-OE2 3.1Å; C533-E535 VanDerWaalsContact C-N 3.3Å; E535-N537 PolarHBondContact O-N 3.46Å; E535-S538 WeakPolarHBondContact O-CB 3.46Å; E535-S538 PolarHBondContact O-N 3.06Å; E535-S538 PolarHBondContact O-OG 2.96Å | ||
| 536 | L | 84.3 | Confident | 91.6 | Very high | 100 Ų | 100 | 33.7 Ų | 33.7 | 52% | 0.524 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -35.2 | -173.8 | -58.9 | 177.9 | 0 | 0 | 0 | 114.4 | S538 G583 L584 N588 | L536-S538 PolarHBondContact O-N 3.05Å; L536-G583 WeakPolarHBondContact CD2-O 3.17Å; L536-L584 HydrophobicContact CD2-CD2 4.2Å; L536-N588 PolarHBondContact O-OD1 3.35Å |
| 537 | N | 86.2 | Confident | 91.8 | Very high | 69 Ų | 69 | 33.5 Ų | 33.5 | 37% | 0.369 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 30.8 | -179.2 | 60.8 | -16.5 | 0 | 0 | 0 | 112.5 | R471 E535 | R471-N537 VanDerWaalsContact CZ-OD1 3.3Å; R471-N537 PolarHBondContact NH1-OD1 3.26Å; R471-N537 VanDerWaalsContact NH1-OD1 3.07Å; R471-N537 PolarHBondContact NH2-OD1 3.28Å; E535-N537 PolarHBondContact O-N 3.46Å |
| 538 | S | 87.4 | Confident | 92 | Very high | 6 Ų | 6 | 32.1 Ų | 32.1 | 4% | 0.042 | 16% | 0.159 | C | C | . | . | trans | -84.5 | 124.8 | 174.9 | -61.7 | 0 | 0 | 0 | 0 | 110.9 | E535 L536 H542 N588 | E535-S538 WeakPolarHBondContact O-CB 3.46Å; E535-S538 PolarHBondContact O-N 3.06Å; E535-S538 PolarHBondContact O-OG 2.96Å; L536-S538 PolarHBondContact O-N 3.05Å; S538-H542 WeakPolarHBondContact CB-ND1 3.08Å; S538-H542 PolarHBondContact OG-ND1 2.92Å; S538-N588 PolarHBondContact O-ND2 3.1Å | ||
| 539 | D | 89.4 | Confident | 92.3 | Very high | 62 Ų | 62 | 31.2 Ų | 31.2 | 33% | 0.332 | 16% | 0.155 | S | C | . | . | trans | -98.6 | 179.4 | 174.3 | 60.5 | 14.5 | 0 | 0 | 0 | 111.5 | Q541 H542 Y543 | D539-Q541 VanDerWaalsContact C-N 3.27Å; D539-Q541 PolarHBondContact O-N 3.33Å; D539-Q541 PolarHBondContact OD1-N 3.02Å; D539-H542 WeakPolarHBondContact O-CB 3.44Å; D539-H542 PolarHBondContact O-N 2.96Å; D539-H542 WeakPolarHBondContact OD1-CB 3.26Å; D539-H542 PolarHBondContact OD1-N 3.48Å; D539-Y543 WeakPolarHBondContact O-CD2 3.02Å; D539-Y543 PolarHBondContact O-N 3.39Å | ||
| 540 | Q | 92.8 | Very high | 92.5 | Very high | 74 Ų | 74 | 31.2 Ų | 31.2 | 35% | 0.346 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -54.2 | -44 | 176 | 174.1 | 177.4 | -5.4 | 0 | 0 | 112.2 | H542 Y543 E544 F636 | Q540-H542 PolarHBondContact O-N 3.43Å; Q540-Y543 PolarHBondContact O-N 2.9Å; Q540-Y543 VanDerWaalsContact O-N 3.15Å; Q540-E544 HydrophobicContact CG-CG 4.17Å; Q540-E544 PolarHBondContact NE2-OE1 2.86Å; Q540-E544 WeakPolarHBondContact O-CG 3.14Å; Q540-E544 PolarHBondContact O-N 3.14Å; Q540-F636 HydrophobicContact CB-CD1 3.75Å; Q540-F636 HydrophobicContact CB-CE1 4.18Å; Q540-F636 HydrophobicContact CG-CB 4.17Å; Q540-F636 HydrophobicContact CG-CD1 3.6Å; Q540-F636 HydrophobicContact CG-CE1 4.19Å; Q540-F636 HydrophobicContact CG-CG 3.97Å |
| 541 | Q | 94 | Very high | 92.6 | Very high | 95 Ų | 95 | 29.9 Ų | 29.9 | 44% | 0.444 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -60.8 | -36.8 | -178.1 | -170.5 | 178.3 | 5.4 | 0 | 0 | 111.3 | L472 D539 T545 | L472-Q541 HydrophobicContact CD1-CG 4.34Å; L472-Q541 HydrophobicContact CD2-CB 4.42Å; L472-Q541 HydrophobicContact CD2-CG 4.01Å; D539-Q541 VanDerWaalsContact C-N 3.27Å; D539-Q541 PolarHBondContact O-N 3.33Å; D539-Q541 PolarHBondContact OD1-N 3.02Å; Q541-T545 WeakPolarHBondContact O-CB 3.5Å; Q541-T545 PolarHBondContact O-N 3.43Å; Q541-T545 PolarHBondContact O-OG1 2.92Å |
| 542 | H | 93.9 | Very high | 92.9 | Very high | 3 Ų | 3 | 28.2 Ų | 28.2 | 1% | 0.014 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.5 | -48.2 | 175.4 | -169.3 | -149.4 | 0 | 0 | 0 | 111.8 | L472 L475 G532 S538 D539 Q540 T545 L546 | L472-H542 HydrophobicContact CD2-CB 4.17Å; L475-H542 VanDerWaalsContact CD1-CD2 3.46Å; L475-H542 WeakPolarHBondContact CD1-CD2 3.43Å; G532-H542 PolarHBondContact O-CE1 3.36Å; G532-H542 VanDerWaalsContact O-CE1 3.31Å; S538-H542 WeakPolarHBondContact CB-ND1 3.08Å; S538-H542 PolarHBondContact OG-ND1 2.92Å; D539-H542 WeakPolarHBondContact O-CB 3.44Å; D539-H542 PolarHBondContact O-N 2.96Å; D539-H542 WeakPolarHBondContact OD1-CB 3.26Å; D539-H542 PolarHBondContact OD1-N 3.48Å; Q540-H542 PolarHBondContact O-N 3.43Å; H542-T545 PolarHBondContact O-N 3.28Å; H542-L546 WeakPolarHBondContact O-CG 3.25Å; H542-L546 PolarHBondContact O-N 3.47Å |
| 543 | Y | 95.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.3 | -38.3 | 178.2 | -67.5 | -69.5 | 0 | 0 | 0 | 112.9 | D539 Q540 T545 L546 Y547 Y587 N588 A591 V592 L595 F636 | D539-Y543 WeakPolarHBondContact O-CD2 3.02Å; D539-Y543 PolarHBondContact O-N 3.39Å; Q540-Y543 PolarHBondContact O-N 2.9Å; Q540-Y543 VanDerWaalsContact O-N 3.15Å; Y543-T545 VanDerWaalsContact C-N 3.3Å; Y543-T545 PolarHBondContact O-N 3.41Å; Y543-L546 HydrophobicContact CD1-CD1 4.49Å; Y543-L546 PolarHBondContact O-N 3.2Å; Y543-Y547 WeakPolarHBondContact O-CB 3.47Å; Y543-Y547 PolarHBondContact O-N 3.44Å; Y543-Y587 HydrophobicContact CE2-CE1 4.46Å; Y543-N588 WeakPolarHBondContact OH-CB 3.47Å; Y543-N588 PolarHBondContact OH-ND2 3.48Å; Y543-A591 HydrophobicContact CD1-CB 4.39Å; Y543-A591 HydrophobicContact CD2-CB 3.67Å; Y543-A591 HydrophobicContact CE1-CB 4.2Å; Y543-A591 HydrophobicContact CE2-CB 3.44Å; Y543-A591 VanDerWaalsContact CE2-CB 3.44Å; Y543-A591 HydrophobicContact CG-CB 4.15Å; Y543-V592 HydrophobicContact CE1-CG2 3.75Å; Y543-L595 HydrophobicContact CD1-CD2 4.28Å; Y543-F636 HydrophobicContact CD2-CE1 4.09Å; Y543-F636 HydrophobicContact CD2-CZ 4.28Å; Y543-F636 HydrophobicContact CG-CE1 4.49Å; Y543-F636 HydrophobicContact CG-CZ 4.25Å |
| 544 | E | 96.2 | Very high | 93.4 | Very high | 33 Ų | 33 | 28.7 Ų | 28.7 | 15% | 0.154 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.2 | -40.2 | 172.8 | -74.7 | 177.4 | 162.8 | 0 | 0 | 111.6 | I494 Q540 Y547 A548 | I494-E544 HydrophobicContact CB-CG 4.14Å; I494-E544 HydrophobicContact CG2-CG 3.64Å; Q540-E544 HydrophobicContact CG-CG 4.17Å; Q540-E544 PolarHBondContact NE2-OE1 2.86Å; Q540-E544 WeakPolarHBondContact O-CG 3.14Å; Q540-E544 PolarHBondContact O-N 3.14Å; E544-Y547 WeakPolarHBondContact O-CB 3.5Å; E544-Y547 PolarHBondContact O-N 3.41Å; E544-A548 PolarHBondContact O-N 3.45Å |
| 545 | T | 96.1 | Very high | 93.7 | Very high | 15 Ų | 15 | 24.8 Ų | 24.8 | 9% | 0.092 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -71.4 | -36.9 | 179 | -48.5 | 0 | 0 | 0 | 0 | 111.6 | L475 L479 Q541 H542 Y543 A548 L549 | L475-T545 HydrophobicContact CB-CG2 3.45Å; L475-T545 VanDerWaalsContact CB-CG2 3.45Å; L475-T545 HydrophobicContact CD1-CG2 3.99Å; L475-T545 HydrophobicContact CG-CG2 4.35Å; L479-T545 HydrophobicContact CD1-CG2 3.49Å; L479-T545 VanDerWaalsContact CD1-CG2 3.49Å; L479-T545 HydrophobicContact CG-CG2 4.44Å; Q541-T545 WeakPolarHBondContact O-CB 3.5Å; Q541-T545 PolarHBondContact O-N 3.43Å; Q541-T545 PolarHBondContact O-OG1 2.92Å; H542-T545 PolarHBondContact O-N 3.28Å; Y543-T545 VanDerWaalsContact C-N 3.3Å; Y543-T545 PolarHBondContact O-N 3.41Å; T545-A548 PolarHBondContact O-N 3.23Å; T545-L549 PolarHBondContact O-N 2.96Å |
| 546 | L | 96.5 | Very high | 94 | Very high | 3 Ų | 3 | 23.3 Ų | 23.3 | 2% | 0.016 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.5 | -40.2 | 172 | -71.7 | 169.2 | 0 | 0 | 0 | 111.9 | L475 I529 H542 Y543 L549 L550 L595 | L475-L546 HydrophobicContact CD1-CD2 3.91Å; L475-L546 HydrophobicContact CD1-CG 4.02Å; L475-L546 HydrophobicContact CD2-CD2 3.87Å; I529-L546 HydrophobicContact CG2-CD2 4.42Å; H542-L546 WeakPolarHBondContact O-CG 3.25Å; H542-L546 PolarHBondContact O-N 3.47Å; Y543-L546 HydrophobicContact CD1-CD1 4.49Å; Y543-L546 PolarHBondContact O-N 3.2Å; L546-L549 PolarHBondContact O-N 2.89Å; L546-L550 PolarHBondContact O-N 3.25Å; L546-L595 HydrophobicContact CB-CD2 4.28Å |
| 547 | Y | 97.6 | Very high | 94.5 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.008 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60 | -46 | 172.9 | 175.3 | -107 | 0 | 0 | 0 | 111.5 | F491 I494 I497 Y543 E544 L549 L550 G551 L595 A598 L602 | F491-Y547 HydrophobicContact CB-CD1 4.47Å; F491-Y547 HydrophobicContact CB-CE1 4.35Å; F491-Y547 HydrophobicContact CD1-CE1 4.31Å; I494-Y547 HydrophobicContact CB-CD1 4.22Å; I494-Y547 HydrophobicContact CB-CG 4.22Å; I494-Y547 HydrophobicContact CD1-CD2 4.47Å; I494-Y547 HydrophobicContact CD1-CG 4.41Å; I494-Y547 HydrophobicContact CG1-CD1 4.39Å; I494-Y547 HydrophobicContact CG1-CD2 4.19Å; I494-Y547 HydrophobicContact CG1-CG 4.03Å; I497-Y547 WeakPolarHBondContact CD1-OH 3.49Å; Y543-Y547 WeakPolarHBondContact O-CB 3.47Å; Y543-Y547 PolarHBondContact O-N 3.44Å; E544-Y547 WeakPolarHBondContact O-CB 3.5Å; E544-Y547 PolarHBondContact O-N 3.41Å; Y547-L549 VanDerWaalsContact C-N 3.28Å; Y547-L549 PolarHBondContact O-N 2.96Å; Y547-L550 PolarHBondContact O-N 2.95Å; Y547-G551 PolarHBondContact O-N 2.95Å; Y547-L595 HydrophobicContact CD2-CD1 4.23Å; Y547-L595 HydrophobicContact CG-CD1 4.42Å; Y547-A598 HydrophobicContact CD2-CB 4.06Å; Y547-A598 HydrophobicContact CE2-CB 3.73Å; Y547-L602 HydrophobicContact CE2-CD2 4.38Å |
| 548 | A | 97.5 | Very high | 94.8 | Very high | 4 Ų | 4 | 16.2 Ų | 16.2 | 3% | 0.033 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60.5 | -38 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | L479 F491 E544 T545 G551 L552 | L479-A548 HydrophobicContact CD1-CB 4.08Å; L479-A548 HydrophobicContact CD2-CB 3.98Å; F491-A548 HydrophobicContact CB-CB 3.85Å; E544-A548 PolarHBondContact O-N 3.45Å; T545-A548 PolarHBondContact O-N 3.23Å; A548-G551 PolarHBondContact O-N 3.27Å; A548-L552 WeakPolarHBondContact O-CB 3.34Å; A548-L552 WeakPolarHBondContact O-CG 3.49Å; A548-L552 PolarHBondContact O-N 3.33Å |
| 549 | L | 97.2 | Very high | 95 | Very high | 3 Ų | 3 | 18 Ų | 18 | 2% | 0.016 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.7 | -47.7 | 177.5 | -179.7 | 59.7 | 0 | 0 | 0 | 110.9 | L475 L478 L479 I482 I529 T545 L546 Y547 G551 L552 L553 | L475-L549 HydrophobicContact CD2-CD2 3.75Å; L478-L549 HydrophobicContact CB-CD1 4.39Å; L478-L549 HydrophobicContact CD1-CD2 4.44Å; L479-L549 VanDerWaalsContact CD2-CA 3.44Å; L479-L549 HydrophobicContact CD2-CB 3.84Å; L479-L549 HydrophobicContact CD2-CD1 4.21Å; I482-L549 HydrophobicContact CD1-CD1 3.69Å; I529-L549 HydrophobicContact CD1-CD2 4Å; I529-L549 HydrophobicContact CD1-CG 4.19Å; I529-L549 HydrophobicContact CG1-CD2 3.86Å; T545-L549 PolarHBondContact O-N 2.96Å; L546-L549 PolarHBondContact O-N 2.89Å; Y547-L549 VanDerWaalsContact C-N 3.28Å; Y547-L549 PolarHBondContact O-N 2.96Å; L549-G551 VanDerWaalsContact C-N 3.3Å; L549-G551 PolarHBondContact O-N 3.15Å; L549-L552 PolarHBondContact O-N 3.08Å; L549-L553 HydrophobicContact CD1-CD1 4.46Å; L549-L553 HydrophobicContact CD1-CG 4.22Å; L549-L553 HydrophobicContact CG-CD1 4.27Å; L549-L553 HydrophobicContact CG-CG 4.46Å; L549-L553 WeakPolarHBondContact O-CB 3.44Å; L549-L553 VanDerWaalsContact O-CG 3.26Å; L549-L553 WeakPolarHBondContact O-CG 3.38Å; L549-L553 PolarHBondContact O-N 3.24Å |
| 550 | L | 97.6 | Very high | 95 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58.3 | -43 | 174.4 | -74.8 | 169.2 | 0 | 0 | 0 | 111.9 | I529 L546 Y547 S554 L566 L569 L595 Y599 | I529-L550 HydrophobicContact CD1-CD2 3.72Å; I529-L550 HydrophobicContact CD1-CG 4.13Å; I529-L550 HydrophobicContact CG2-CD1 4.33Å; I529-L550 HydrophobicContact CG2-CD2 4.21Å; I529-L550 HydrophobicContact CG2-CG 4.27Å; L546-L550 PolarHBondContact O-N 3.25Å; Y547-L550 PolarHBondContact O-N 2.95Å; L550-S554 WeakPolarHBondContact O-CB 3.41Å; L550-S554 PolarHBondContact O-N 2.94Å; L550-S554 VanDerWaalsContact O-N 3.11Å; L550-S554 PolarHBondContact O-OG 3.05Å; L550-L566 HydrophobicContact CD2-CD2 4.17Å; L550-L569 HydrophobicContact CD2-CD2 3.95Å; L550-L595 HydrophobicContact CD1-CD1 4.22Å; L550-L595 HydrophobicContact CD1-CG 4.44Å; L550-Y599 HydrophobicContact CB-CD2 3.52Å; L550-Y599 HydrophobicContact CB-CE2 3.63Å; L550-Y599 HydrophobicContact CB-CG 4.1Å; L550-Y599 HydrophobicContact CD1-CD1 4.25Å; L550-Y599 HydrophobicContact CD1-CD2 4.21Å; L550-Y599 HydrophobicContact CD1-CG 3.91Å; L550-Y599 HydrophobicContact CD2-CE1 4.35Å; L550-Y599 HydrophobicContact CG-CD2 4.35Å; L550-Y599 HydrophobicContact CG-CG 4.48Å |
| 551 | G | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.8 | -51.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y547 A548 L549 S554 V555 | Y547-G551 PolarHBondContact O-N 2.95Å; A548-G551 PolarHBondContact O-N 3.27Å; L549-G551 VanDerWaalsContact C-N 3.3Å; L549-G551 PolarHBondContact O-N 3.15Å; G551-S554 WeakPolarHBondContact O-CA 3.32Å; G551-S554 WeakPolarHBondContact O-CB 3.43Å; G551-S554 PolarHBondContact O-N 3.49Å; G551-V555 WeakPolarHBondContact O-CG2 3.49Å; G551-V555 PolarHBondContact O-N 3.07Å |
| 552 | L | 96.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63 | -43.1 | 178.6 | -73.1 | -176.9 | 0 | 0 | 0 | 113 | L479 I482 D483 N487 R488 F491 A548 L549 S554 V555 E556 | L479-L552 HydrophobicContact CB-CD1 4.18Å; L479-L552 HydrophobicContact CD2-CD1 3.57Å; L479-L552 HydrophobicContact CD2-CG 4.41Å; L479-L552 HydrophobicContact CG-CD1 4.47Å; I482-L552 HydrophobicContact CG2-CB 4.01Å; D483-L552 HydrophobicContact CB-CD1 3.78Å; D483-L552 HydrophobicContact CB-CD2 4.06Å; N487-L552 HydrophobicContact CB-CD2 3.77Å; R488-L552 HydrophobicContact CB-CD1 4.42Å; F491-L552 HydrophobicContact CD2-CD2 4.18Å; F491-L552 HydrophobicContact CD2-CG 4.36Å; F491-L552 HydrophobicContact CE2-CD2 4.13Å; A548-L552 WeakPolarHBondContact O-CB 3.34Å; A548-L552 WeakPolarHBondContact O-CG 3.49Å; A548-L552 PolarHBondContact O-N 3.33Å; L549-L552 PolarHBondContact O-N 3.08Å; L552-S554 PolarHBondContact O-N 3.18Å; L552-V555 HydrophobicContact CD2-CG2 4.28Å; L552-V555 PolarHBondContact O-N 3.35Å; L552-E556 HydrophobicContact CD2-CG 4.43Å; L552-E556 VanDerWaalsContact O-CB 3.24Å; L552-E556 WeakPolarHBondContact O-CB 3.04Å; L552-E556 PolarHBondContact O-N 3.3Å |
| 553 | L | 96.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | I | π-helix | trans | -56.1 | -35.5 | 173.6 | -70.7 | 177.5 | 0 | 0 | 0 | 111.3 | I482 L525 I529 L549 L557 A558 L566 | I482-L553 HydrophobicContact CD1-CD2 4.01Å; L525-L553 HydrophobicContact CD1-CD2 4.09Å; I529-L553 HydrophobicContact CD1-CD1 3.82Å; L549-L553 HydrophobicContact CD1-CD1 4.46Å; L549-L553 HydrophobicContact CD1-CG 4.22Å; L549-L553 HydrophobicContact CG-CD1 4.27Å; L549-L553 HydrophobicContact CG-CG 4.46Å; L549-L553 WeakPolarHBondContact O-CB 3.44Å; L549-L553 VanDerWaalsContact O-CG 3.26Å; L549-L553 WeakPolarHBondContact O-CG 3.38Å; L549-L553 PolarHBondContact O-N 3.24Å; L553-L557 HydrophobicContact CD2-CD1 3.95Å; L553-L557 CarbonylContact O-C 3.59Å; L553-L557 PolarHBondContact O-N 3.04Å; L553-A558 WeakPolarHBondContact O-CB 3.47Å; L553-A558 PolarHBondContact O-N 3.17Å; L553-L566 HydrophobicContact CB-CD1 4.34Å; L553-L566 HydrophobicContact CD1-CD2 4.35Å |
| 554 | S | 95.3 | Very high | 94.8 | Very high | 14 Ų | 14 | 19.3 Ų | 19.3 | 10% | 0.098 | 10% | 0.1 | C | C | . | . | I | π-helix | trans | -74.6 | -39.9 | -180 | -51.7 | 0 | 0 | 0 | 0 | 113.2 | L550 G551 L552 A558 Y599 | L550-S554 WeakPolarHBondContact O-CB 3.41Å; L550-S554 PolarHBondContact O-N 2.94Å; L550-S554 VanDerWaalsContact O-N 3.11Å; L550-S554 PolarHBondContact O-OG 3.05Å; G551-S554 WeakPolarHBondContact O-CA 3.32Å; G551-S554 WeakPolarHBondContact O-CB 3.43Å; G551-S554 PolarHBondContact O-N 3.49Å; L552-S554 PolarHBondContact O-N 3.18Å; S554-A558 WeakPolarHBondContact O-CB 3.44Å; S554-Y599 WeakPolarHBondContact OG-CE2 3.28Å; S554-Y599 PolarHBondContact OG-OH 3.48Å |
| 555 | V | 94.9 | Very high | 94.7 | Very high | 4 Ų | 4 | 19.3 Ų | 19.3 | 2% | 0.024 | 10% | 0.101 | C | C | . | . | I | π-helix | trans | -89.3 | -25.8 | -178 | -70 | 0 | 0 | 0 | 0 | 114.1 | N487 F491 L505 V507 G551 L552 L606 | N487-V555 HydrophobicContact CB-CG2 4.44Å; F491-V555 HydrophobicContact CE2-CG2 3.94Å; F491-V555 HydrophobicContact CZ-CG1 4.25Å; F491-V555 HydrophobicContact CZ-CG2 4.21Å; L505-V555 HydrophobicContact CD1-CG1 4.06Å; V507-V555 HydrophobicContact CG2-CB 4.09Å; V507-V555 HydrophobicContact CG2-CG1 3.96Å; G551-V555 WeakPolarHBondContact O-CG2 3.49Å; G551-V555 PolarHBondContact O-N 3.07Å; L552-V555 HydrophobicContact CD2-CG2 4.28Å; L552-V555 PolarHBondContact O-N 3.35Å; V555-L606 HydrophobicContact CG1-CD1 4.03Å; V555-L606 HydrophobicContact CG1-CD2 3.97Å |
| 556 | E | 93.6 | Very high | 94.7 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.009 | 10% | 0.097 | C | C | . | . | I | π-helix | trans | -99.5 | -39 | -176.4 | -64.1 | -65.4 | 157.5 | 0 | 0 | 112.6 | I482 R484 H485 N487 L552 | I482-E556 HydrophobicContact CG2-CB 4.11Å; I482-E556 HydrophobicContact CG2-CG 4.34Å; I482-E556 WeakPolarHBondContact O-CG 3.43Å; R484-E556 WeakPolarHBondContact CB-OE2 3.42Å; R484-E556 IonicContact CZ-OE2 2.99Å; R484-E556 IonicContact NE-OE2 3.67Å; R484-E556 PolarHBondContact NE-OE2 3.44Å; R484-E556 VanDerWaalsContact NE-OE2 3.08Å; R484-E556 PolarHBondContact NH2-O 2.93Å; R484-E556 IonicContact NH2-OE2 3.55Å; H485-E556 IonicContact CE1-OE1 3.77Å; H485-E556 IonicContact CE1-OE2 4Å; H485-E556 PolarHBondContact CE1-OE2 3.12Å; H485-E556 VanDerWaalsContact CE1-OE2 3.32Å; H485-E556 IonicContact CG-OE1 2.94Å; H485-E556 VanDerWaalsContact ND1-CD 3.27Å; H485-E556 IonicContact ND1-OE1 3.95Å; H485-E556 PolarHBondContact ND1-OE1 2.68Å; H485-E556 IonicContact ND1-OE2 3.32Å; H485-E556 PolarHBondContact ND1-OE2 2.9Å; N487-E556 PolarHBondContact ND2-OE1 2.93Å; N487-E556 VanDerWaalsContact ND2-OE1 3.13Å; L552-E556 HydrophobicContact CD2-CG 4.43Å; L552-E556 VanDerWaalsContact O-CB 3.24Å; L552-E556 WeakPolarHBondContact O-CB 3.04Å; L552-E556 PolarHBondContact O-N 3.3Å |
| 557 | L | 93.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | I | π-helix | trans | -123.9 | -7.1 | -165.1 | -58 | -179.3 | 0 | 0 | 0 | 114.9 | M447 I482 C510 D514 F517 M518 L553 | M447-L557 HydrophobicContact CG-CD2 3.7Å; I482-L557 HydrophobicContact CG1-CD1 4.5Å; I482-L557 HydrophobicContact CG2-CD1 4.08Å; I482-L557 HydrophobicContact CG2-CG 4.37Å; C510-L557 PolarHBondContact SG-O 2.9Å; D514-L557 HydrophobicContact CB-CD2 4.09Å; F517-L557 HydrophobicContact CD1-CD1 4.09Å; F517-L557 HydrophobicContact CE1-CD1 3.89Å; M518-L557 HydrophobicContact CG-CB 3.93Å; M518-L557 HydrophobicContact SD-CB 3.99Å; M518-L557 HydrophobicContact SD-CD1 4.04Å; L553-L557 HydrophobicContact CD2-CD1 3.95Å; L553-L557 CarbonylContact O-C 3.59Å; L553-L557 PolarHBondContact O-N 3.04Å |
| 558 | A | 92.5 | Very high | 94.6 | Very high | 20 Ų | 20 | 19.9 Ų | 19.9 | 17% | 0.165 | 10% | 0.102 | C | C | . | . | trans | -83.3 | 132.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L553 S554 V562 V563 | L553-A558 WeakPolarHBondContact O-CB 3.47Å; L553-A558 PolarHBondContact O-N 3.17Å; S554-A558 WeakPolarHBondContact O-CB 3.44Å; A558-V562 HydrophobicContact CB-CB 4.14Å; A558-V562 HydrophobicContact CB-CG1 3.8Å; A558-V563 HydrophobicContact CB-CG2 3.96Å | ||
| 559 | N | 91.6 | Very high | 94.6 | Very high | 44 Ų | 44 | 19.7 Ų | 19.7 | 24% | 0.235 | 10% | 0.1 | C | C | . | . | trans | -106.7 | -176.9 | 158.5 | 70 | 16 | 0 | 0 | 0 | 109 | N515 E561 V562 V563 | N515-N559 WeakPolarHBondContact OD1-CB 3.13Å; N515-N559 PolarHBondContact OD1-ND2 2.61Å; N559-E561 VanDerWaalsContact C-N 3.31Å; N559-E561 PolarHBondContact O-N 3.35Å; N559-E561 WeakPolarHBondContact OD1-CA 3.47Å; N559-E561 WeakPolarHBondContact OD1-CB 3.24Å; N559-E561 PolarHBondContact OD1-N 3.08Å; N559-V562 PolarHBondContact O-N 2.9Å; N559-V562 WeakPolarHBondContact OD1-CG2 3.5Å; N559-V562 PolarHBondContact OD1-N 3.42Å; N559-V563 WeakPolarHBondContact O-CG2 3.34Å; N559-V563 PolarHBondContact O-N 3.45Å | ||
| 560 | E | 90.2 | Very high | 94.6 | Very high | 118 Ų | 118 | 19.6 Ų | 19.6 | 55% | 0.551 | 10% | 0.1 | S | C | * | . | H | α-helix | trans | -56.5 | -39.2 | -179.7 | -66.6 | 170.6 | -171.4 | 0 | 0 | 113.8 | V564 Y669 | E560-V564 WeakPolarHBondContact O-CG2 3.29Å; E560-V564 PolarHBondContact O-N 3.21Å; E560-Y669 HydrophobicContact CB-CD1 4.13Å; E560-Y669 HydrophobicContact CB-CE1 4.05Å; E560-Y669 HydrophobicContact CG-CE1 4.08Å |
| 561 | E | 90.6 | Very high | 94.5 | Very high | 117 Ų | 117 | 19.9 Ų | 19.9 | 55% | 0.547 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -68.9 | -42.3 | 177.5 | -62 | -170.7 | 174.1 | 0 | 0 | 112.5 | N559 V563 V564 D565 R673 | N559-E561 VanDerWaalsContact C-N 3.31Å; N559-E561 PolarHBondContact O-N 3.35Å; N559-E561 WeakPolarHBondContact OD1-CA 3.47Å; N559-E561 WeakPolarHBondContact OD1-CB 3.24Å; N559-E561 PolarHBondContact OD1-N 3.08Å; E561-V563 VanDerWaalsContact C-N 3.34Å; E561-V564 WeakPolarHBondContact O-CB 3.3Å; E561-V564 PolarHBondContact O-N 2.98Å; E561-D565 PolarHBondContact O-N 2.99Å; E561-D565 VanDerWaalsContact O-N 3.11Å; E561-R673 IonicContact OE2-NH1 2.84Å |
| 562 | V | 93.2 | Very high | 94.4 | Very high | 12 Ų | 12 | 20.3 Ų | 20.3 | 7% | 0.073 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.9 | -39.5 | 178.2 | 173.5 | 0 | 0 | 0 | 0 | 110.3 | M518 A558 N559 V564 D565 L566 | M518-V562 HydrophobicContact CB-CG2 3.69Å; M518-V562 HydrophobicContact CE-CG1 3.64Å; M518-V562 HydrophobicContact CE-CG2 4.23Å; M518-V562 HydrophobicContact CG-CG2 4.05Å; A558-V562 HydrophobicContact CB-CB 4.14Å; A558-V562 HydrophobicContact CB-CG1 3.8Å; N559-V562 PolarHBondContact O-N 2.9Å; N559-V562 WeakPolarHBondContact OD1-CG2 3.5Å; N559-V562 PolarHBondContact OD1-N 3.42Å; V562-V564 VanDerWaalsContact C-N 3.3Å; V562-V564 PolarHBondContact O-N 2.97Å; V562-D565 PolarHBondContact O-N 2.79Å; V562-L566 HydrophobicContact CG1-CD1 3.92Å; V562-L566 HydrophobicContact CG1-CG 4.21Å; V562-L566 VanDerWaalsContact O-CG 3.31Å; V562-L566 WeakPolarHBondContact O-CG 3.3Å; V562-L566 PolarHBondContact O-N 2.77Å |
| 563 | V | 94.4 | Very high | 94.4 | Very high | 13 Ų | 13 | 20.3 Ų | 20.3 | 8% | 0.079 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -56.6 | -45.5 | 173.3 | 169 | 0 | 0 | 0 | 0 | 110.7 | A558 N559 E561 D565 L566 I567 I603 T607 Y669 | A558-V563 HydrophobicContact CB-CG2 3.96Å; N559-V563 WeakPolarHBondContact O-CG2 3.34Å; N559-V563 PolarHBondContact O-N 3.45Å; E561-V563 VanDerWaalsContact C-N 3.34Å; V563-D565 VanDerWaalsContact C-N 3.35Å; V563-D565 PolarHBondContact O-N 3.31Å; V563-L566 PolarHBondContact O-N 3.03Å; V563-I567 HydrophobicContact CG1-CD1 3.84Å; V563-I567 HydrophobicContact CG1-CG1 4.45Å; V563-I567 VanDerWaalsContact O-CG1 3.31Å; V563-I567 WeakPolarHBondContact O-CG1 3.46Å; V563-I567 PolarHBondContact O-N 3.31Å; V563-I603 HydrophobicContact CG1-CD1 4.37Å; V563-I603 HydrophobicContact CG1-CG1 4.15Å; V563-I603 HydrophobicContact CG2-CD1 4.36Å; V563-T607 HydrophobicContact CG1-CG2 3.65Å; V563-Y669 HydrophobicContact CB-CE1 4.06Å; V563-Y669 HydrophobicContact CG1-CD1 4.38Å; V563-Y669 HydrophobicContact CG1-CE1 3.81Å |
| 564 | V | 94 | Very high | 94.3 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59.4 | -45.8 | 176.7 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | E560 E561 V562 L566 I567 R568 Y669 R673 L674 | E560-V564 WeakPolarHBondContact O-CG2 3.29Å; E560-V564 PolarHBondContact O-N 3.21Å; E561-V564 WeakPolarHBondContact O-CB 3.3Å; E561-V564 PolarHBondContact O-N 2.98Å; V562-V564 VanDerWaalsContact C-N 3.3Å; V562-V564 PolarHBondContact O-N 2.97Å; V564-L566 PolarHBondContact O-N 3.4Å; V564-I567 PolarHBondContact O-N 3.12Å; V564-R568 HydrophobicContact CG1-CG 4.44Å; V564-R568 VanDerWaalsContact O-CG 3.23Å; V564-R568 WeakPolarHBondContact O-CG 3.49Å; V564-R568 PolarHBondContact O-N 3.33Å; V564-Y669 HydrophobicContact CG2-CD1 3.98Å; V564-Y669 HydrophobicContact CG2-CG 4.41Å; V564-R673 HydrophobicContact CG1-CB 4.24Å; V564-R673 HydrophobicContact CG1-CG 4.16Å; V564-L674 HydrophobicContact CG1-CB 3.94Å; V564-L674 HydrophobicContact CG1-CD1 4.46Å |
| 565 | D | 93.8 | Very high | 94.1 | Very high | 33 Ų | 33 | 23.9 Ų | 23.9 | 18% | 0.176 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.2 | -37.3 | 178.8 | -76.4 | -24 | 0 | 0 | 0 | 113.2 | E561 V562 V563 R568 L569 R673 | E561-D565 PolarHBondContact O-N 2.99Å; E561-D565 VanDerWaalsContact O-N 3.11Å; V562-D565 PolarHBondContact O-N 2.79Å; V563-D565 VanDerWaalsContact C-N 3.35Å; V563-D565 PolarHBondContact O-N 3.31Å; D565-R568 PolarHBondContact O-N 2.66Å; D565-R568 IonicContact OD1-CZ 3.35Å; D565-R568 IonicContact OD1-NH1 3.08Å; D565-R568 PolarHBondContact OD1-NH1 3.32Å; D565-L569 WeakPolarHBondContact O-CB 3.41Å; D565-L569 PolarHBondContact O-N 2.69Å; D565-R673 VanDerWaalsContact CG-NH2 3.29Å; D565-R673 IonicContact OD1-CZ 3.59Å; D565-R673 IonicContact OD1-NE 3.8Å; D565-R673 PolarHBondContact OD1-NE 3.1Å; D565-R673 IonicContact OD1-NH2 3.87Å; D565-R673 PolarHBondContact OD1-NH2 2.8Å; D565-R673 IonicContact OD2-CZ 3.32Å; D565-R673 VanDerWaalsContact OD2-CZ 3.31Å; D565-R673 IonicContact OD2-NE 2.72Å; D565-R673 IonicContact OD2-NH2 2.61Å; D565-R673 PolarHBondContact OD2-NH2 3.28Å |
| 566 | L | 96.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -69.8 | -35.5 | 176.6 | -65 | 171.9 | 0 | 0 | 0 | 112.2 | L550 L553 V562 V563 V564 L569 A570 Y599 | L550-L566 HydrophobicContact CD2-CD2 4.17Å; L553-L566 HydrophobicContact CB-CD1 4.34Å; L553-L566 HydrophobicContact CD1-CD2 4.35Å; V562-L566 HydrophobicContact CG1-CD1 3.92Å; V562-L566 HydrophobicContact CG1-CG 4.21Å; V562-L566 VanDerWaalsContact O-CG 3.31Å; V562-L566 WeakPolarHBondContact O-CG 3.3Å; V562-L566 PolarHBondContact O-N 2.77Å; V563-L566 PolarHBondContact O-N 3.03Å; V564-L566 PolarHBondContact O-N 3.4Å; L566-L569 WeakPolarHBondContact O-CB 3.41Å; L566-L569 PolarHBondContact O-N 3.34Å; L566-A570 PolarHBondContact O-N 3.12Å; L566-Y599 HydrophobicContact CB-CE1 4.07Å; L566-Y599 WeakPolarHBondContact CB-OH 3.44Å; L566-Y599 WeakPolarHBondContact CD1-OH 3.32Å |
| 567 | I | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.6 | -44.8 | 171.1 | -67.2 | 168.2 | 0 | 0 | 0 | 110.1 | V563 V564 L569 A570 L571 L600 I603 F612 I660 L664 L674 | V563-I567 HydrophobicContact CG1-CD1 3.84Å; V563-I567 HydrophobicContact CG1-CG1 4.45Å; V563-I567 VanDerWaalsContact O-CG1 3.31Å; V563-I567 WeakPolarHBondContact O-CG1 3.46Å; V563-I567 PolarHBondContact O-N 3.31Å; V564-I567 PolarHBondContact O-N 3.12Å; I567-L569 VanDerWaalsContact C-N 3.29Å; I567-L569 PolarHBondContact O-N 2.98Å; I567-A570 WeakPolarHBondContact O-CB 3.42Å; I567-A570 PolarHBondContact O-N 3.42Å; I567-L571 HydrophobicContact CG2-CD1 4.29Å; I567-L571 WeakPolarHBondContact O-CG 3.37Å; I567-L571 PolarHBondContact O-N 3.37Å; I567-L600 HydrophobicContact CG2-CD2 4.31Å; I567-I603 HydrophobicContact CG1-CG1 4.43Å; I567-I603 HydrophobicContact CG1-CG2 4.13Å; I567-F612 HydrophobicContact CD1-CE1 4.03Å; I567-F612 HydrophobicContact CD1-CZ 4.04Å; I567-F612 HydrophobicContact CG1-CZ 4.45Å; I567-I660 HydrophobicContact CG2-CG2 3.99Å; I567-L664 HydrophobicContact CD1-CD1 3.82Å; I567-L674 HydrophobicContact CB-CD1 4.28Å; I567-L674 HydrophobicContact CG2-CD1 3.72Å |
| 568 | R | 95.8 | Very high | 93.6 | Very high | 31 Ų | 31 | 26 Ų | 26 | 12% | 0.117 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.4 | -39.5 | 176.2 | -67.4 | 166.4 | 69.5 | -155.4 | 4.4 | 111.8 | V564 D565 L571 A572 R673 L674 T676 P677 | V564-R568 HydrophobicContact CG1-CG 4.44Å; V564-R568 VanDerWaalsContact O-CG 3.23Å; V564-R568 WeakPolarHBondContact O-CG 3.49Å; V564-R568 PolarHBondContact O-N 3.33Å; D565-R568 PolarHBondContact O-N 2.66Å; D565-R568 IonicContact OD1-CZ 3.35Å; D565-R568 IonicContact OD1-NH1 3.08Å; D565-R568 PolarHBondContact OD1-NH1 3.32Å; R568-L571 PolarHBondContact O-N 3.44Å; R568-A572 WeakPolarHBondContact O-CB 3.33Å; R568-A572 PolarHBondContact O-N 3.23Å; R568-R673 WeakPolarHBondContact CD-O 3.47Å; R568-R673 PolarHBondContact NE-O 2.91Å; R568-R673 VanDerWaalsContact NE-O 3.09Å; R568-L674 HydrophobicContact CG-CD1 3.82Å; R568-T676 VanDerWaalsContact CZ-O 3.27Å; R568-T676 PolarHBondContact NE-O 3.39Å; R568-T676 PolarHBondContact NH2-O 3.04Å; R568-P677 PolarHBondContact NH2-O 3.49Å; R568-P677 VanDerWaalsContact NH2-O 3.14Å |
| 569 | L | 96.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.2 | -45.3 | 174 | 175 | 63.3 | 0 | 0 | 0 | 111.5 | C526 I529 Y530 L550 D565 L566 I567 L571 A572 L573 Y678 | C526-L569 HydrophobicContact CB-CD2 3.97Å; I529-L569 HydrophobicContact CB-CD2 4.11Å; I529-L569 HydrophobicContact CD1-CD2 4.26Å; I529-L569 HydrophobicContact CG2-CD2 4.04Å; Y530-L569 HydrophobicContact CD2-CD1 4.26Å; L550-L569 HydrophobicContact CD2-CD2 3.95Å; D565-L569 WeakPolarHBondContact O-CB 3.41Å; D565-L569 PolarHBondContact O-N 2.69Å; L566-L569 WeakPolarHBondContact O-CB 3.41Å; L566-L569 PolarHBondContact O-N 3.34Å; I567-L569 VanDerWaalsContact C-N 3.29Å; I567-L569 PolarHBondContact O-N 2.98Å; L569-L571 VanDerWaalsContact C-N 3.29Å; L569-L571 PolarHBondContact O-N 2.91Å; L569-A572 PolarHBondContact O-N 3.39Å; L569-L573 HydrophobicContact CD1-CG 4.4Å; L569-L573 HydrophobicContact CG-CD1 4.49Å; L569-L573 WeakPolarHBondContact O-CG 3.45Å; L569-L573 PolarHBondContact O-N 3.12Å; L569-Y678 HydrophobicContact CD1-CD1 4.12Å; L569-Y678 HydrophobicContact CD1-CE1 3.97Å |
| 570 | A | 97.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.008 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.4 | -37.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L566 I567 Q574 S596 Y599 L600 | L566-A570 PolarHBondContact O-N 3.12Å; I567-A570 WeakPolarHBondContact O-CB 3.42Å; I567-A570 PolarHBondContact O-N 3.42Å; A570-Q574 PolarHBondContact O-N 3.2Å; A570-Q574 VanDerWaalsContact O-N 3.16Å; A570-S596 PolarHBondContact O-OG 3.2Å; A570-Y599 HydrophobicContact CB-CD1 3.78Å; A570-Y599 HydrophobicContact CB-CE1 4.25Å; A570-L600 HydrophobicContact CB-CD1 4.36Å; A570-L600 HydrophobicContact CB-CD2 3.96Å; A570-L600 HydrophobicContact CB-CG 3.93Å |
| 571 | L | 96.1 | Very high | 90.7 | Very high | 8 Ų | 8 | 31.2 Ų | 31.2 | 4% | 0.042 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69.3 | -44 | 173.7 | -66.9 | 172.6 | 0 | 0 | 0 | 111.6 | I567 R568 L569 L573 Q574 D575 F655 Q657 I660 | I567-L571 HydrophobicContact CG2-CD1 4.29Å; I567-L571 WeakPolarHBondContact O-CG 3.37Å; I567-L571 PolarHBondContact O-N 3.37Å; R568-L571 PolarHBondContact O-N 3.44Å; L569-L571 VanDerWaalsContact C-N 3.29Å; L569-L571 PolarHBondContact O-N 2.91Å; L571-L573 VanDerWaalsContact C-N 3.27Å; L571-L573 PolarHBondContact O-N 3.3Å; L571-Q574 WeakPolarHBondContact O-CA 3.35Å; L571-Q574 VanDerWaalsContact O-CB 3.31Å; L571-Q574 WeakPolarHBondContact O-CB 3.27Å; L571-Q574 PolarHBondContact O-N 3.1Å; L571-D575 PolarHBondContact O-N 2.79Å; L571-F655 HydrophobicContact CD2-CB 3.81Å; L571-Q657 HydrophobicContact CD1-CB 3.94Å; L571-Q657 HydrophobicContact CD1-CG 3.91Å; L571-I660 HydrophobicContact CD1-CD1 4.35Å; L571-I660 HydrophobicContact CD2-CD1 3.87Å |
| 572 | A | 94.8 | Very high | 89.4 | Confident | 9 Ų | 9 | 27.5 Ų | 27.5 | 7% | 0.074 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.8 | -33.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y530 R568 L569 Q574 D575 L576 Y678 | Y530-A572 HydrophobicContact CD2-CB 4.31Å; Y530-A572 HydrophobicContact CE2-CB 4.04Å; R568-A572 WeakPolarHBondContact O-CB 3.33Å; R568-A572 PolarHBondContact O-N 3.23Å; L569-A572 PolarHBondContact O-N 3.39Å; A572-Q574 VanDerWaalsContact C-N 3.35Å; A572-D575 PolarHBondContact O-N 3.06Å; A572-L576 WeakPolarHBondContact O-CB 3.49Å; A572-L576 PolarHBondContact O-N 3.5Å; A572-Y678 HydrophobicContact CB-CD1 4.02Å; A572-Y678 HydrophobicContact CB-CG 4.48Å |
| 573 | L | 94.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.8 | -38 | 171.1 | -73.3 | 178.4 | 0 | 0 | 0 | 112 | I529 Y530 C533 L569 L571 L576 A577 V592 L595 S596 | I529-L573 HydrophobicContact CG2-CD1 4.48Å; Y530-L573 HydrophobicContact CD2-CD2 4.07Å; C533-L573 HydrophobicContact CB-CD2 3.62Å; L569-L573 HydrophobicContact CD1-CG 4.4Å; L569-L573 HydrophobicContact CG-CD1 4.49Å; L569-L573 WeakPolarHBondContact O-CG 3.45Å; L569-L573 PolarHBondContact O-N 3.12Å; L571-L573 VanDerWaalsContact C-N 3.27Å; L571-L573 PolarHBondContact O-N 3.3Å; L573-L576 HydrophobicContact CD2-CD2 4.1Å; L573-L576 WeakPolarHBondContact O-CB 3.33Å; L573-L576 PolarHBondContact O-N 3.45Å; L573-A577 PolarHBondContact O-N 2.93Å; L573-A577 VanDerWaalsContact O-N 3.09Å; L573-V592 HydrophobicContact CB-CG1 3.99Å; L573-V592 HydrophobicContact CD2-CG1 4.45Å; L573-V592 WeakPolarHBondContact O-CG1 2.97Å; L573-L595 HydrophobicContact CD1-CD2 4.24Å; L573-S596 WeakPolarHBondContact CB-OG 3.28Å |
| 574 | Q | 94 | Very high | 87.9 | Confident | 5 Ų | 5 | 30.6 Ų | 30.6 | 2% | 0.023 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.2 | -43.8 | 172.9 | 179.9 | -179.2 | -94.9 | 0 | 0 | 111 | A570 L571 A572 A577 L578 L654 F655 | A570-Q574 PolarHBondContact O-N 3.2Å; A570-Q574 VanDerWaalsContact O-N 3.16Å; L571-Q574 WeakPolarHBondContact O-CA 3.35Å; L571-Q574 VanDerWaalsContact O-CB 3.31Å; L571-Q574 WeakPolarHBondContact O-CB 3.27Å; L571-Q574 PolarHBondContact O-N 3.1Å; A572-Q574 VanDerWaalsContact C-N 3.35Å; Q574-A577 WeakPolarHBondContact O-CB 3.41Å; Q574-A577 PolarHBondContact O-N 3.15Å; Q574-L578 HydrophobicContact CG-CD1 4.47Å; Q574-L578 WeakPolarHBondContact O-CG 3.37Å; Q574-L578 PolarHBondContact O-N 3.31Å; Q574-L578 VanDerWaalsContact O-N 3.15Å; Q574-L654 HydrophobicContact CG-CD2 4.16Å; Q574-F655 PolarHBondContact NE2-O 2.77Å |
| 575 | D | 92.2 | Very high | 87.7 | Confident | 83 Ų | 83 | 33.8 Ų | 33.8 | 44% | 0.444 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -66 | -38.6 | 178.7 | -64.1 | -24 | 0 | 0 | 0 | 111.9 | L571 A572 A577 L578 S579 | L571-D575 PolarHBondContact O-N 2.79Å; A572-D575 PolarHBondContact O-N 3.06Å; D575-A577 VanDerWaalsContact C-N 3.28Å; D575-A577 PolarHBondContact O-N 3.36Å; D575-L578 PolarHBondContact O-N 3.26Å; D575-S579 PolarHBondContact O-N 3.47Å |
| 576 | L | 91 | Very high | 87.5 | Confident | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -55 | -44.2 | 171.1 | 171 | 65 | 0 | 0 | 0 | 111.5 | Y530 C533 A572 L573 L578 S579 E582 L584 | Y530-L576 HydrophobicContact CE1-CD2 4.39Å; Y530-L576 HydrophobicContact CE2-CB 4.12Å; Y530-L576 HydrophobicContact CE2-CD2 4.24Å; C533-L576 HydrophobicContact CB-CD2 4.06Å; A572-L576 WeakPolarHBondContact O-CB 3.49Å; A572-L576 PolarHBondContact O-N 3.5Å; L573-L576 HydrophobicContact CD2-CD2 4.1Å; L573-L576 WeakPolarHBondContact O-CB 3.33Å; L573-L576 PolarHBondContact O-N 3.45Å; L576-L578 VanDerWaalsContact C-N 3.28Å; L576-L578 PolarHBondContact O-N 3.46Å; L576-S579 PolarHBondContact O-N 3.33Å; L576-E582 HydrophobicContact CD1-CG 4.33Å; L576-E582 WeakPolarHBondContact CD1-OE2 3.11Å; L576-L584 HydrophobicContact CD1-CD1 4.23Å; L576-L584 HydrophobicContact CG-CD1 4.23Å |
| 577 | A | 90.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.6 | -22.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L573 Q574 D575 R589 V592 H593 | L573-A577 PolarHBondContact O-N 2.93Å; L573-A577 VanDerWaalsContact O-N 3.09Å; Q574-A577 WeakPolarHBondContact O-CB 3.41Å; Q574-A577 PolarHBondContact O-N 3.15Å; D575-A577 VanDerWaalsContact C-N 3.28Å; D575-A577 PolarHBondContact O-N 3.36Å; A577-R589 HydrophobicContact CB-CB 4.5Å; A577-R589 WeakPolarHBondContact CB-O 3.27Å; A577-R589 VanDerWaalsContact O-CZ 3.26Å; A577-R589 PolarHBondContact O-NE 3.37Å; A577-R589 PolarHBondContact O-NH2 3.09Å; A577-V592 HydrophobicContact CB-CB 4.05Å; A577-V592 HydrophobicContact CB-CG1 3.95Å; A577-H593 WeakPolarHBondContact CB-NE2 3.17Å |
| 578 | L | 89.3 | Confident | 87.1 | Confident | 48 Ų | 48 | 37.4 Ų | 37.4 | 25% | 0.251 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -83.7 | -29.5 | 175 | -68 | 170.8 | 0 | 0 | 0 | 112.7 | Q574 D575 L576 T580 R589 V649 L654 | Q574-L578 HydrophobicContact CG-CD1 4.47Å; Q574-L578 WeakPolarHBondContact O-CG 3.37Å; Q574-L578 PolarHBondContact O-N 3.31Å; Q574-L578 VanDerWaalsContact O-N 3.15Å; D575-L578 PolarHBondContact O-N 3.26Å; L576-L578 VanDerWaalsContact C-N 3.28Å; L576-L578 PolarHBondContact O-N 3.46Å; L578-T580 PolarHBondContact O-N 2.86Å; L578-R589 PolarHBondContact O-NH2 3.33Å; L578-V649 HydrophobicContact CD2-CB 3.98Å; L578-V649 HydrophobicContact CD2-CG2 3.98Å; L578-L654 HydrophobicContact CD1-CD1 3.88Å; L578-L654 HydrophobicContact CD1-CD2 4.01Å; L578-L654 HydrophobicContact CD2-CD2 4.27Å |
| 579 | S | 83.6 | Confident | 87 | Confident | 39 Ų | 39 | 37 Ų | 37 | 27% | 0.273 | 22% | 0.218 | S | C | . | . | trans | -56.4 | 128.5 | 179.9 | -175.4 | 0 | 0 | 0 | 0 | 112.4 | D575 L576 D581 | D575-S579 PolarHBondContact O-N 3.47Å; L576-S579 PolarHBondContact O-N 3.33Å; S579-D581 PolarHBondContact OG-N 2.87Å | ||
| 580 | T | 68.3 | Low | 86.8 | Confident | 94 Ų | 94 | 37 Ų | 37 | 58% | 0.577 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -88.6 | -13.5 | 174 | 46.5 | 0 | 0 | 0 | 0 | 113.1 | L578 E582 E647 | L578-T580 PolarHBondContact O-N 2.86Å; T580-E582 VanDerWaalsContact C-N 3.26Å; T580-E582 PolarHBondContact O-N 3.23Å; T580-E647 HydrophobicContact CG2-CG 4.09Å |
| 581 | D | 61.8 | Low | 86.7 | Confident | 158 Ų | 158 | 37 Ų | 37 | 85% | 0.845 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -76.9 | -14.4 | -179.2 | -90.4 | -12.7 | 0 | 0 | 0 | 112.9 | S579 | S579-D581 PolarHBondContact OG-N 2.87Š|
| 582 | E | 62.3 | Low | 86.7 | Confident | 40 Ų | 40 | 36.6 Ų | 36.6 | 19% | 0.187 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -101 | 124 | -176.4 | -56.1 | -145 | 171.2 | 0 | 0 | 110 | K534 L576 T580 L584 | K534-E582 WeakPolarHBondContact CD-OE2 3.37Å; K534-E582 WeakPolarHBondContact CE-OE2 3.33Å; K534-E582 WeakPolarHBondContact CG-OE2 3.22Å; K534-E582 IonicContact NZ-OE1 2.93Å; K534-E582 PolarHBondContact NZ-OE1 3.05Å; K534-E582 IonicContact NZ-OE2 3.28Å; K534-E582 PolarHBondContact NZ-OE2 3.34Å; L576-E582 HydrophobicContact CD1-CG 4.33Å; L576-E582 WeakPolarHBondContact CD1-OE2 3.11Å; T580-E582 VanDerWaalsContact C-N 3.26Å; T580-E582 PolarHBondContact O-N 3.23Å; E582-L584 PolarHBondContact O-N 3.13Å |
| 583 | G | 70.5 | Confident | 86.7 | Confident | 72 Ų | 72 | 36.2 Ų | 36.2 | 74% | 0.742 | 21% | 0.212 | S | C | * | . | trans | -64.5 | 21.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | L536 | L536-G583 WeakPolarHBondContact CD2-O 3.17Š| ||
| 584 | L | 85.8 | Confident | 86.8 | Confident | 18 Ų | 18 | 36.2 Ų | 36.2 | 9% | 0.094 | 21% | 0.212 | C | C | . | . | trans | -61.3 | 137.2 | 177.3 | -71.4 | 172.2 | 0 | 0 | 0 | 111.7 | K534 L536 L576 E582 N588 R589 | K534-L584 WeakPolarHBondContact O-CD2 3.4Å; L536-L584 HydrophobicContact CD2-CD2 4.2Å; L576-L584 HydrophobicContact CD1-CD1 4.23Å; L576-L584 HydrophobicContact CG-CD1 4.23Å; E582-L584 PolarHBondContact O-N 3.13Å; L584-N588 HydrophobicContact CB-CB 4.42Å; L584-N588 HydrophobicContact CD2-CB 3.98Å; L584-R589 HydrophobicContact CB-CG 3.76Å; L584-R589 HydrophobicContact CD1-CG 4.44Å | ||
| 585 | T | 89.7 | Confident | 87 | Confident | 66 Ų | 66 | 36 Ų | 36 | 41% | 0.405 | 21% | 0.211 | S | C | . | . | trans | -68.5 | 158.1 | 173.2 | 76 | 0 | 0 | 0 | 0 | 110.9 | Y587 N588 R589 | T585-Y587 PolarHBondContact O-N 3.42Å; T585-N588 PolarHBondContact O-N 3.02Å; T585-N588 PolarHBondContact OG1-N 3.38Å; T585-N588 VanDerWaalsContact OG1-N 3.16Å; T585-N588 PolarHBondContact OG1-OD1 3.26Å; T585-R589 WeakPolarHBondContact O-CG 3.16Å; T585-R589 PolarHBondContact O-N 3.11Å | ||
| 586 | I | 90.5 | Very high | 87.2 | Confident | 56 Ų | 56 | 32 Ų | 32 | 29% | 0.287 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -55.4 | -39.9 | 175.8 | -61.2 | 175.6 | 0 | 0 | 0 | 111 | R589 C590 L642 P643 P644 L646 | I586-R589 PolarHBondContact O-N 2.94Å; I586-C590 WeakPolarHBondContact O-CB 3.4Å; I586-C590 PolarHBondContact O-N 2.87Å; I586-C590 PolarHBondContact O-SG 3.39Å; I586-L642 HydrophobicContact CG2-CB 4.25Å; I586-P643 HydrophobicContact CG2-CG 4.21Å; I586-P644 WeakPolarHBondContact CD1-O 3.3Å; I586-L646 HydrophobicContact CG2-CD1 4.34Å |
| 587 | Y | 92 | Very high | 87.5 | Confident | 53 Ų | 53 | 31.9 Ų | 31.9 | 21% | 0.208 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.2 | -50.6 | 175 | 172.6 | -96.7 | 0 | 0 | 0 | 111.5 | Y543 T585 R589 C590 A591 V635 F636 L642 | Y543-Y587 HydrophobicContact CE2-CE1 4.46Å; T585-Y587 PolarHBondContact O-N 3.42Å; Y587-R589 VanDerWaalsContact C-N 3.33Å; Y587-R589 PolarHBondContact O-N 3.36Å; Y587-C590 PolarHBondContact O-N 2.72Å; Y587-A591 WeakPolarHBondContact O-CB 3.46Å; Y587-A591 PolarHBondContact O-N 3.42Å; Y587-V635 HydrophobicContact CD2-CG2 4.05Å; Y587-V635 HydrophobicContact CE2-CG2 4.02Å; Y587-F636 WeakPolarHBondContact OH-CD1 3.24Å; Y587-L642 HydrophobicContact CD2-CD1 4.39Å |
| 588 | N | 92.2 | Very high | 87.8 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.011 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.9 | -41.2 | 179.9 | -64.5 | 114.8 | 0 | 0 | 0 | 111.7 | L536 S538 Y543 L584 T585 A591 V592 | L536-N588 PolarHBondContact O-OD1 3.35Å; S538-N588 PolarHBondContact O-ND2 3.1Å; Y543-N588 WeakPolarHBondContact OH-CB 3.47Å; Y543-N588 PolarHBondContact OH-ND2 3.48Å; L584-N588 HydrophobicContact CB-CB 4.42Å; L584-N588 HydrophobicContact CD2-CB 3.98Å; T585-N588 PolarHBondContact O-N 3.02Å; T585-N588 PolarHBondContact OG1-N 3.38Å; T585-N588 VanDerWaalsContact OG1-N 3.16Å; T585-N588 PolarHBondContact OG1-OD1 3.26Å; N588-A591 PolarHBondContact O-N 3.24Å; N588-V592 VanDerWaalsContact O-CG2 3.26Å; N588-V592 WeakPolarHBondContact O-CG2 3.28Å; N588-V592 PolarHBondContact O-N 3.39Å |
| 589 | R | 92.8 | Very high | 88.2 | Confident | 23 Ų | 23 | 29.7 Ų | 29.7 | 9% | 0.087 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.7 | -46.3 | 176 | -65 | 175.1 | 67 | 175.8 | 5.7 | 111.6 | A577 L578 L584 T585 I586 Y587 A591 V592 H593 L646 | A577-R589 HydrophobicContact CB-CB 4.5Å; A577-R589 WeakPolarHBondContact CB-O 3.27Å; A577-R589 VanDerWaalsContact O-CZ 3.26Å; A577-R589 PolarHBondContact O-NE 3.37Å; A577-R589 PolarHBondContact O-NH2 3.09Å; L578-R589 PolarHBondContact O-NH2 3.33Å; L584-R589 HydrophobicContact CB-CG 3.76Å; L584-R589 HydrophobicContact CD1-CG 4.44Å; T585-R589 WeakPolarHBondContact O-CG 3.16Å; T585-R589 PolarHBondContact O-N 3.11Å; I586-R589 PolarHBondContact O-N 2.94Å; Y587-R589 VanDerWaalsContact C-N 3.33Å; Y587-R589 PolarHBondContact O-N 3.36Å; R589-A591 PolarHBondContact O-N 3.41Å; R589-V592 PolarHBondContact O-N 2.98Å; R589-H593 PolarHBondContact O-CD2 2.88Å; R589-H593 VanDerWaalsContact O-CD2 3.29Å; R589-H593 PolarHBondContact O-N 2.9Å; R589-L646 HydrophobicContact CB-CD1 3.51Å; R589-L646 HydrophobicContact CG-CD1 4.47Å |
| 590 | C | 93.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.5 | -43 | 174.7 | -68.8 | 0 | 0 | 0 | 0 | 112 | I586 Y587 V592 H593 A594 Y629 V635 L642 | I586-C590 WeakPolarHBondContact O-CB 3.4Å; I586-C590 PolarHBondContact O-N 2.87Å; I586-C590 PolarHBondContact O-SG 3.39Å; Y587-C590 PolarHBondContact O-N 2.72Å; C590-V592 PolarHBondContact O-N 3.04Å; C590-H593 WeakPolarHBondContact O-CB 3.35Å; C590-H593 PolarHBondContact O-N 3.31Å; C590-A594 WeakPolarHBondContact O-CB 3.48Å; C590-A594 PolarHBondContact O-N 2.92Å; C590-Y629 VanDerWaalsContact CB-O 3.32Å; C590-Y629 WeakPolarHBondContact CB-O 3.41Å; C590-V635 HydrophobicContact CB-CB 4.37Å; C590-V635 HydrophobicContact CB-CG2 3.56Å; C590-L642 HydrophobicContact CB-CD2 4.16Å |
| 591 | A | 94.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.2 | -37.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y543 Y587 N588 R589 A594 L595 V635 F636 | Y543-A591 HydrophobicContact CD1-CB 4.39Å; Y543-A591 HydrophobicContact CD2-CB 3.67Å; Y543-A591 HydrophobicContact CE1-CB 4.2Å; Y543-A591 HydrophobicContact CE2-CB 3.44Å; Y543-A591 VanDerWaalsContact CE2-CB 3.44Å; Y543-A591 HydrophobicContact CG-CB 4.15Å; Y587-A591 WeakPolarHBondContact O-CB 3.46Å; Y587-A591 PolarHBondContact O-N 3.42Å; N588-A591 PolarHBondContact O-N 3.24Å; R589-A591 PolarHBondContact O-N 3.41Å; A591-A594 PolarHBondContact O-N 3.14Å; A591-L595 WeakPolarHBondContact O-CB 3.4Å; A591-L595 PolarHBondContact O-N 3.24Å; A591-V635 HydrophobicContact CB-CG2 4.45Å; A591-F636 HydrophobicContact CB-CE1 3.92Å; A591-F636 HydrophobicContact CB-CZ 3.89Å |
| 592 | V | 95.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -67.2 | -41.9 | 173.5 | 175.1 | 0 | 0 | 0 | 0 | 111.1 | C533 Y543 L573 A577 N588 R589 C590 A594 L595 S596 | C533-V592 HydrophobicContact CB-CG2 3.91Å; Y543-V592 HydrophobicContact CE1-CG2 3.75Å; L573-V592 HydrophobicContact CB-CG1 3.99Å; L573-V592 HydrophobicContact CD2-CG1 4.45Å; L573-V592 WeakPolarHBondContact O-CG1 2.97Å; A577-V592 HydrophobicContact CB-CB 4.05Å; A577-V592 HydrophobicContact CB-CG1 3.95Å; N588-V592 VanDerWaalsContact O-CG2 3.26Å; N588-V592 WeakPolarHBondContact O-CG2 3.28Å; N588-V592 PolarHBondContact O-N 3.39Å; R589-V592 PolarHBondContact O-N 2.98Å; C590-V592 PolarHBondContact O-N 3.04Å; V592-A594 VanDerWaalsContact C-N 3.31Å; V592-A594 PolarHBondContact O-N 2.94Å; V592-L595 WeakPolarHBondContact O-CB 3.48Å; V592-L595 PolarHBondContact O-N 3.09Å; V592-S596 PolarHBondContact O-N 3.3Å; V592-S596 PolarHBondContact O-OG 3.43Å |
| 593 | H | 95.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59.9 | -41.1 | 172.2 | -82.3 | -62.6 | 0 | 0 | 0 | 112.8 | A577 R589 C590 S596 A597 R623 L630 | A577-H593 WeakPolarHBondContact CB-NE2 3.17Å; R589-H593 PolarHBondContact O-CD2 2.88Å; R589-H593 VanDerWaalsContact O-CD2 3.29Å; R589-H593 PolarHBondContact O-N 2.9Å; C590-H593 WeakPolarHBondContact O-CB 3.35Å; C590-H593 PolarHBondContact O-N 3.31Å; H593-S596 PolarHBondContact O-N 3.39Å; H593-A597 WeakPolarHBondContact O-CB 3.36Å; H593-A597 PolarHBondContact O-N 2.9Å; H593-R623 PolarHBondContact O-NH1 3.22Å; H593-L630 CarbonylContact C-O 2.89Å; H593-L630 HydrophobicContact CB-CB 4.27Å; H593-L630 HydrophobicContact CB-CD2 3.85Å |
| 594 | A | 96.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -65.2 | -41 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | C590 A591 V592 A597 A598 L630 P632 V635 F636 | C590-A594 WeakPolarHBondContact O-CB 3.48Å; C590-A594 PolarHBondContact O-N 2.92Å; A591-A594 PolarHBondContact O-N 3.14Å; V592-A594 VanDerWaalsContact C-N 3.31Å; V592-A594 PolarHBondContact O-N 2.94Å; A594-A597 PolarHBondContact O-N 3.25Å; A594-A598 WeakPolarHBondContact O-CB 3.32Å; A594-A598 PolarHBondContact O-N 3.18Å; A594-L630 WeakPolarHBondContact CA-O 3.37Å; A594-L630 PolarHBondContact N-O 3.11Å; A594-P632 HydrophobicContact CB-CG 4.16Å; A594-V635 HydrophobicContact CB-CG1 3.64Å; A594-F636 HydrophobicContact CB-CE2 4.12Å |
| 595 | L | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -58.9 | -50.9 | 172.5 | 179 | 63.5 | 0 | 0 | 0 | 111.6 | I494 C533 Y543 L546 Y547 L550 L573 A591 V592 A597 A598 Y599 | I494-L595 HydrophobicContact CD1-CB 4.19Å; I494-L595 HydrophobicContact CD1-CD1 3.99Å; C533-L595 VanDerWaalsContact SG-CD2 3.59Å; Y543-L595 HydrophobicContact CD1-CD2 4.28Å; L546-L595 HydrophobicContact CB-CD2 4.28Å; Y547-L595 HydrophobicContact CD2-CD1 4.23Å; Y547-L595 HydrophobicContact CG-CD1 4.42Å; L550-L595 HydrophobicContact CD1-CD1 4.22Å; L550-L595 HydrophobicContact CD1-CG 4.44Å; L573-L595 HydrophobicContact CD1-CD2 4.24Å; A591-L595 WeakPolarHBondContact O-CB 3.4Å; A591-L595 PolarHBondContact O-N 3.24Å; V592-L595 WeakPolarHBondContact O-CB 3.48Å; V592-L595 PolarHBondContact O-N 3.09Å; L595-A597 VanDerWaalsContact C-N 3.33Å; L595-A597 PolarHBondContact O-N 3.05Å; L595-A598 PolarHBondContact O-N 2.95Å; L595-Y599 VanDerWaalsContact O-CB 3.31Å; L595-Y599 WeakPolarHBondContact O-CB 3.42Å; L595-Y599 PolarHBondContact O-N 3.16Å |
| 596 | S | 97.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 10 Ų | 10 | 1% | 0.007 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -59.7 | -41.9 | 176.8 | -67.8 | 0 | 0 | 0 | 0 | 111.9 | A570 L573 V592 H593 L600 | A570-S596 PolarHBondContact O-OG 3.2Å; L573-S596 WeakPolarHBondContact CB-OG 3.28Å; V592-S596 PolarHBondContact O-N 3.3Å; V592-S596 PolarHBondContact O-OG 3.43Å; H593-S596 PolarHBondContact O-N 3.39Å; S596-L600 VanDerWaalsContact O-CB 3.28Å; S596-L600 WeakPolarHBondContact O-CB 3.45Å; S596-L600 VanDerWaalsContact O-CG 3.29Å; S596-L600 WeakPolarHBondContact O-CG 3.34Å; S596-L600 PolarHBondContact O-N 2.91Å |
| 597 | A | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -64.1 | -50.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I496 H593 A594 L595 Y599 L600 N601 L631 F655 | I496-A597 HydrophobicContact CD1-CB 4.32Å; H593-A597 WeakPolarHBondContact O-CB 3.36Å; H593-A597 PolarHBondContact O-N 2.9Å; A594-A597 PolarHBondContact O-N 3.25Å; L595-A597 VanDerWaalsContact C-N 3.33Å; L595-A597 PolarHBondContact O-N 3.05Å; A597-Y599 VanDerWaalsContact C-N 3.29Å; A597-Y599 PolarHBondContact O-N 3.5Å; A597-L600 PolarHBondContact O-N 2.67Å; A597-N601 VanDerWaalsContact O-CB 3.28Å; A597-N601 WeakPolarHBondContact O-CB 3.47Å; A597-N601 PolarHBondContact O-N 3.39Å; A597-L631 HydrophobicContact CB-CD2 3.93Å; A597-F655 HydrophobicContact CB-CE2 4.08Å; A597-F655 HydrophobicContact CB-CZ 4.19Å |
| 598 | A | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -62.3 | -40.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I494 I496 Y547 A594 L595 L602 P632 | I494-A598 HydrophobicContact CD1-CB 3.97Å; I494-A598 HydrophobicContact CG1-CB 3.56Å; I496-A598 HydrophobicContact CD1-CB 4.43Å; Y547-A598 HydrophobicContact CD2-CB 4.06Å; Y547-A598 HydrophobicContact CE2-CB 3.73Å; A594-A598 WeakPolarHBondContact O-CB 3.32Å; A594-A598 PolarHBondContact O-N 3.18Å; L595-A598 PolarHBondContact O-N 2.95Å; A598-L602 PolarHBondContact O-N 3.1Å; A598-L602 VanDerWaalsContact O-N 3.07Å; A598-P632 HydrophobicContact CB-CG 3.84Å |
| 599 | Y | 98 | Very high | 95.2 | Very high | 1 Ų | 1 | 11.2 Ų | 11.2 | 0% | 0.004 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -71.1 | -43.2 | 178.4 | -179.5 | -112.6 | 0 | 0 | 0 | 112.6 | L550 S554 L566 A570 L595 A597 N601 L602 I603 | L550-Y599 HydrophobicContact CB-CD2 3.52Å; L550-Y599 HydrophobicContact CB-CE2 3.63Å; L550-Y599 HydrophobicContact CB-CG 4.1Å; L550-Y599 HydrophobicContact CD1-CD1 4.25Å; L550-Y599 HydrophobicContact CD1-CD2 4.21Å; L550-Y599 HydrophobicContact CD1-CG 3.91Å; L550-Y599 HydrophobicContact CD2-CE1 4.35Å; L550-Y599 HydrophobicContact CG-CD2 4.35Å; L550-Y599 HydrophobicContact CG-CG 4.48Å; S554-Y599 WeakPolarHBondContact OG-CE2 3.28Å; S554-Y599 PolarHBondContact OG-OH 3.48Å; L566-Y599 HydrophobicContact CB-CE1 4.07Å; L566-Y599 WeakPolarHBondContact CB-OH 3.44Å; L566-Y599 WeakPolarHBondContact CD1-OH 3.32Å; A570-Y599 HydrophobicContact CB-CD1 3.78Å; A570-Y599 HydrophobicContact CB-CE1 4.25Å; L595-Y599 VanDerWaalsContact O-CB 3.31Å; L595-Y599 WeakPolarHBondContact O-CB 3.42Å; L595-Y599 PolarHBondContact O-N 3.16Å; A597-Y599 VanDerWaalsContact C-N 3.29Å; A597-Y599 PolarHBondContact O-N 3.5Å; Y599-N601 VanDerWaalsContact C-N 3.29Å; Y599-N601 PolarHBondContact O-N 3.43Å; Y599-L602 HydrophobicContact CD2-CD2 4.45Å; Y599-L602 WeakPolarHBondContact O-CB 3.24Å; Y599-L602 PolarHBondContact O-N 3.32Å; Y599-L602 VanDerWaalsContact O-N 3.08Å; Y599-I603 HydrophobicContact CE1-CB 4.44Å; Y599-I603 HydrophobicContact CE1-CG2 4.46Å; Y599-I603 HydrophobicContact CE2-CB 4.36Å; Y599-I603 PolarHBondContact O-N 2.98Å |
| 600 | L | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63.7 | -35.8 | 175.9 | -75.5 | 169.9 | 0 | 0 | 0 | 112 | I567 A570 S596 A597 L602 I603 C604 F612 I616 F655 | I567-L600 HydrophobicContact CG2-CD2 4.31Å; A570-L600 HydrophobicContact CB-CD1 4.36Å; A570-L600 HydrophobicContact CB-CD2 3.96Å; A570-L600 HydrophobicContact CB-CG 3.93Å; S596-L600 VanDerWaalsContact O-CB 3.28Å; S596-L600 WeakPolarHBondContact O-CB 3.45Å; S596-L600 VanDerWaalsContact O-CG 3.29Å; S596-L600 WeakPolarHBondContact O-CG 3.34Å; S596-L600 PolarHBondContact O-N 2.91Å; A597-L600 PolarHBondContact O-N 2.67Å; L600-L602 VanDerWaalsContact C-N 3.34Å; L600-I603 HydrophobicContact CD2-CG2 4.26Å; L600-C604 VanDerWaalsContact O-CB 3.32Å; L600-C604 WeakPolarHBondContact O-CB 3.3Å; L600-C604 PolarHBondContact O-N 3.32Å; L600-C604 PolarHBondContact O-SG 3.04Å; L600-F612 HydrophobicContact CD2-CZ 4.4Å; L600-I616 HydrophobicContact CB-CD1 4Å; L600-I616 HydrophobicContact CB-CG2 4.43Å; L600-I616 HydrophobicContact CD1-CD1 4.44Å; L600-F655 HydrophobicContact CD1-CB 3.97Å; L600-F655 HydrophobicContact CD1-CD1 3.98Å; L600-F655 HydrophobicContact CD1-CD2 3.35Å; L600-F655 HydrophobicContact CD1-CE1 4.31Å; L600-F655 HydrophobicContact CD1-CE2 3.76Å; L600-F655 HydrophobicContact CD1-CG 3.49Å; L600-F655 VanDerWaalsContact CD1-CG 3.49Å; L600-F655 HydrophobicContact CD1-CZ 4.22Å |
| 601 | N | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.8 | -37.4 | 171 | 174.4 | -104.7 | 0 | 0 | 0 | 112.9 | I496 I497 A597 Y599 C604 Q605 I616 I620 | I496-N601 HydrophobicContact CD1-CB 4.43Å; I497-N601 WeakPolarHBondContact CA-OD1 3.27Å; I497-N601 PolarHBondContact N-OD1 2.94Å; I497-N601 PolarHBondContact O-ND2 3.43Å; I497-N601 PolarHBondContact O-OD1 3.26Å; I497-N601 VanDerWaalsContact O-OD1 3.07Å; A597-N601 VanDerWaalsContact O-CB 3.28Å; A597-N601 WeakPolarHBondContact O-CB 3.47Å; A597-N601 PolarHBondContact O-N 3.39Å; Y599-N601 VanDerWaalsContact C-N 3.29Å; Y599-N601 PolarHBondContact O-N 3.43Å; N601-C604 PolarHBondContact O-SG 3.1Å; N601-Q605 PolarHBondContact ND2-NE2 2.83Å; N601-Q605 WeakPolarHBondContact O-CG 3.34Å; N601-Q605 PolarHBondContact O-NE2 2.82Å; N601-Q605 PolarHBondContact OD1-NE2 3.34Å; N601-I616 HydrophobicContact CB-CG2 4.39Å; N601-I620 HydrophobicContact CB-CD1 3.75Å |
| 602 | L | 96.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -70.7 | -52 | 176.5 | 175.4 | 64.1 | 0 | 0 | 0 | 111.4 | F491 I497 I500 Y547 A598 Y599 L600 C604 Q605 L606 | F491-L602 HydrophobicContact CD1-CD2 4.24Å; F491-L602 HydrophobicContact CE1-CD1 3.99Å; F491-L602 HydrophobicContact CE1-CD2 3.75Å; F491-L602 HydrophobicContact CZ-CD2 4.43Å; I497-L602 HydrophobicContact CD1-CD1 3.93Å; I500-L602 HydrophobicContact CD1-CD1 3.92Å; Y547-L602 HydrophobicContact CE2-CD2 4.38Å; A598-L602 PolarHBondContact O-N 3.1Å; A598-L602 VanDerWaalsContact O-N 3.07Å; Y599-L602 HydrophobicContact CD2-CD2 4.45Å; Y599-L602 WeakPolarHBondContact O-CB 3.24Å; Y599-L602 PolarHBondContact O-N 3.32Å; Y599-L602 VanDerWaalsContact O-N 3.08Å; L600-L602 VanDerWaalsContact C-N 3.34Å; L602-C604 VanDerWaalsContact C-N 3.34Å; L602-C604 PolarHBondContact O-N 3.46Å; L602-Q605 PolarHBondContact O-N 2.86Å; L602-L606 HydrophobicContact CD1-CD1 4.19Å; L602-L606 HydrophobicContact CD1-CG 4.37Å; L602-L606 HydrophobicContact CG-CD1 4.03Å; L602-L606 WeakPolarHBondContact O-CG 3.4Å; L602-L606 PolarHBondContact O-N 3.04Å |
| 603 | I | 95.8 | Very high | 95.1 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -68.9 | -32.2 | -173.7 | -160.6 | 63.1 | 0 | 0 | 0 | 112 | V563 I567 Y599 L600 Q605 L606 T607 F612 | V563-I603 HydrophobicContact CG1-CD1 4.37Å; V563-I603 HydrophobicContact CG1-CG1 4.15Å; V563-I603 HydrophobicContact CG2-CD1 4.36Å; I567-I603 HydrophobicContact CG1-CG1 4.43Å; I567-I603 HydrophobicContact CG1-CG2 4.13Å; Y599-I603 HydrophobicContact CE1-CB 4.44Å; Y599-I603 HydrophobicContact CE1-CG2 4.46Å; Y599-I603 HydrophobicContact CE2-CB 4.36Å; Y599-I603 PolarHBondContact O-N 2.98Å; L600-I603 HydrophobicContact CD2-CG2 4.26Å; I603-Q605 VanDerWaalsContact C-N 3.33Å; I603-Q605 PolarHBondContact O-N 3.32Å; I603-L606 HydrophobicContact CD1-CB 4.46Å; I603-L606 HydrophobicContact CD1-CD1 4.2Å; I603-L606 PolarHBondContact O-N 2.88Å; I603-T607 HydrophobicContact CG1-CG2 4.48Å; I603-T607 WeakPolarHBondContact O-CG2 3.46Å; I603-T607 PolarHBondContact O-N 3.02Å; I603-T607 PolarHBondContact O-OG1 3.4Å; I603-T607 VanDerWaalsContact O-OG1 3.09Å; I603-F612 HydrophobicContact CG2-CE1 4.24Å; I603-F612 HydrophobicContact CG2-CZ 4.28Å |
| 604 | C | 95.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.8 | -40.5 | 175.4 | 75.2 | 0 | 0 | 0 | 0 | 111.7 | L600 N601 L602 T607 T608 F612 C613 I616 | L600-C604 VanDerWaalsContact O-CB 3.32Å; L600-C604 WeakPolarHBondContact O-CB 3.3Å; L600-C604 PolarHBondContact O-N 3.32Å; L600-C604 PolarHBondContact O-SG 3.04Å; N601-C604 PolarHBondContact O-SG 3.1Å; L602-C604 VanDerWaalsContact C-N 3.34Å; L602-C604 PolarHBondContact O-N 3.46Å; C604-T607 PolarHBondContact O-N 3.25Å; C604-T607 PolarHBondContact O-OG1 3.18Å; C604-T608 PolarHBondContact O-N 3.25Å; C604-F612 VanDerWaalsContact CA-CE1 3.46Å; C604-F612 HydrophobicContact CB-CD1 3.53Å; C604-F612 HydrophobicContact CB-CD2 4.46Å; C604-F612 HydrophobicContact CB-CE1 3.52Å; C604-F612 HydrophobicContact CB-CE2 4.43Å; C604-F612 HydrophobicContact CB-CG 4.02Å; C604-F612 HydrophobicContact CB-CZ 3.99Å; C604-C613 VanDerWaalsContact C-SG 3.53Å; C604-C613 PolarHBondContact O-SG 3.18Å; C604-I616 HydrophobicContact CB-CB 4.38Å; C604-I616 HydrophobicContact CB-CG1 3.98Å |
| 605 | Q | 94.9 | Very high | 95 | Very high | 23 Ų | 23 | 25 Ų | 25 | 11% | 0.107 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -70.1 | -34.5 | 176 | -70.4 | 178.1 | 74.6 | 0 | 0 | 112.5 | I497 I500 N601 L602 I603 T608 | I497-Q605 PolarHBondContact O-NE2 2.7Å; I500-Q605 HydrophobicContact CB-CB 3.97Å; I500-Q605 HydrophobicContact CD1-CB 3.87Å; I500-Q605 HydrophobicContact CG2-CB 4.07Å; N601-Q605 PolarHBondContact ND2-NE2 2.83Å; N601-Q605 WeakPolarHBondContact O-CG 3.34Å; N601-Q605 PolarHBondContact O-NE2 2.82Å; N601-Q605 PolarHBondContact OD1-NE2 3.34Å; L602-Q605 PolarHBondContact O-N 2.86Å; I603-Q605 VanDerWaalsContact C-N 3.33Å; I603-Q605 PolarHBondContact O-N 3.32Å; Q605-T608 PolarHBondContact O-N 2.79Å |
| 606 | L | 92.9 | Very high | 94.9 | Very high | 50 Ų | 50 | 25 Ų | 25 | 26% | 0.262 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -68.3 | -36.6 | 175.4 | -74 | 173.7 | 0 | 0 | 0 | 113.2 | I500 L505 V555 L602 I603 T608 | I500-L606 HydrophobicContact CD1-CD2 3.46Å; I500-L606 VanDerWaalsContact CD1-CD2 3.46Å; I500-L606 HydrophobicContact CD1-CG 3.61Å; L505-L606 HydrophobicContact CD1-CD2 3.95Å; V555-L606 HydrophobicContact CG1-CD1 4.03Å; V555-L606 HydrophobicContact CG1-CD2 3.97Å; L602-L606 HydrophobicContact CD1-CD1 4.19Å; L602-L606 HydrophobicContact CD1-CG 4.37Å; L602-L606 HydrophobicContact CG-CD1 4.03Å; L602-L606 WeakPolarHBondContact O-CG 3.4Å; L602-L606 PolarHBondContact O-N 3.04Å; I603-L606 HydrophobicContact CD1-CB 4.46Å; I603-L606 HydrophobicContact CD1-CD1 4.2Å; I603-L606 PolarHBondContact O-N 2.88Å; L606-T608 VanDerWaalsContact C-N 3.27Å; L606-T608 PolarHBondContact O-N 3.29Å |
| 607 | T | 91.3 | Very high | 94.8 | Very high | 11 Ų | 11 | 28 Ų | 28 | 7% | 0.067 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -75.3 | -16.9 | 177.7 | 54.6 | 0 | 0 | 0 | 0 | 113 | V563 I603 C604 V609 Y669 | V563-T607 HydrophobicContact CG1-CG2 3.65Å; I603-T607 HydrophobicContact CG1-CG2 4.48Å; I603-T607 WeakPolarHBondContact O-CG2 3.46Å; I603-T607 PolarHBondContact O-N 3.02Å; I603-T607 PolarHBondContact O-OG1 3.4Å; I603-T607 VanDerWaalsContact O-OG1 3.09Å; C604-T607 PolarHBondContact O-N 3.25Å; C604-T607 PolarHBondContact O-OG1 3.18Å; T607-V609 PolarHBondContact O-N 2.92Å; T607-V609 VanDerWaalsContact O-N 3.11Å; T607-Y669 WeakPolarHBondContact CB-OH 3.44Å; T607-Y669 HydrophobicContact CG2-CE1 4.47Å; T607-Y669 VanDerWaalsContact CG2-OH 3.31Å; T607-Y669 WeakPolarHBondContact CG2-OH 3.38Å |
| 608 | T | 88 | Confident | 94.7 | Very high | 112 Ų | 112 | 32.8 Ų | 32.8 | 69% | 0.687 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 20.9 | 179.2 | 65.4 | 0 | 0 | 0 | 0 | 114.8 | C604 Q605 L606 P610 | C604-T608 PolarHBondContact O-N 3.25Å; Q605-T608 PolarHBondContact O-N 2.79Å; L606-T608 VanDerWaalsContact C-N 3.27Å; L606-T608 PolarHBondContact O-N 3.29Å; T608-P610 VanDerWaalsContact O-CD 3.26Å; T608-P610 WeakPolarHBondContact O-CD 3.5Å |
| 609 | V | 93.4 | Very high | 94.6 | Very high | 13 Ų | 13 | 33.1 Ų | 33.1 | 8% | 0.079 | 19% | 0.185 | C | C | . | . | trans | -84.4 | 110.7 | 176.5 | 179.3 | 0 | 0 | 0 | 0 | 109.4 | T607 A611 F612 C613 L664 S667 Y669 | T607-V609 PolarHBondContact O-N 2.92Å; T607-V609 VanDerWaalsContact O-N 3.11Å; V609-A611 PolarHBondContact O-N 3.27Å; V609-F612 HydrophobicContact CB-CB 3.92Å; V609-F612 HydrophobicContact CG1-CB 3.87Å; V609-F612 PolarHBondContact O-N 2.99Å; V609-C613 PolarHBondContact O-N 3.01Å; V609-C613 PolarHBondContact O-SG 2.98Å; V609-C613 VanDerWaalsContact O-SG 3.35Å; V609-L664 HydrophobicContact CB-CD2 4.31Å; V609-L664 HydrophobicContact CG1-CD2 4.28Å; V609-L664 HydrophobicContact CG2-CD2 4.12Å; V609-S667 WeakPolarHBondContact CG1-OG 3.44Å; V609-Y669 HydrophobicContact CG2-CE2 4.04Å | ||
| 610 | P | 92.6 | Very high | 94.6 | Very high | 105 Ų | 105 | 33.2 Ų | 33.2 | 68% | 0.682 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -63.2 | -40.9 | -171.6 | -25 | 36.1 | 0 | 0 | 0 | 113.6 | T608 F612 C613 Q614 | T608-P610 VanDerWaalsContact O-CD 3.26Å; T608-P610 WeakPolarHBondContact O-CD 3.5Å; P610-F612 VanDerWaalsContact C-N 3.31Å; P610-F612 PolarHBondContact O-N 2.81Å; P610-C613 WeakPolarHBondContact O-CB 3.46Å; P610-C613 PolarHBondContact O-N 3.06Å; P610-Q614 WeakPolarHBondContact O-CB 3.12Å; P610-Q614 PolarHBondContact O-N 2.97Å |
| 611 | A | 93.2 | Very high | 94.4 | Very high | 45 Ų | 45 | 38.1 Ų | 38.1 | 37% | 0.372 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.6 | -35.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V609 H615 V663 | V609-A611 PolarHBondContact O-N 3.27Å; A611-H615 PolarHBondContact O-N 3.42Å; A611-V663 HydrophobicContact CB-CB 3.99Å; A611-V663 HydrophobicContact CB-CG1 4.25Å |
| 612 | F | 94.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.7 | -45 | 174.7 | -178.6 | -144.4 | 0 | 0 | 0 | 111.2 | I567 L600 I603 C604 V609 P610 Q614 H615 I616 I660 V663 L664 | I567-F612 HydrophobicContact CD1-CE1 4.03Å; I567-F612 HydrophobicContact CD1-CZ 4.04Å; I567-F612 HydrophobicContact CG1-CZ 4.45Å; L600-F612 HydrophobicContact CD2-CZ 4.4Å; I603-F612 HydrophobicContact CG2-CE1 4.24Å; I603-F612 HydrophobicContact CG2-CZ 4.28Å; C604-F612 VanDerWaalsContact CA-CE1 3.46Å; C604-F612 HydrophobicContact CB-CD1 3.53Å; C604-F612 HydrophobicContact CB-CD2 4.46Å; C604-F612 HydrophobicContact CB-CE1 3.52Å; C604-F612 HydrophobicContact CB-CE2 4.43Å; C604-F612 HydrophobicContact CB-CG 4.02Å; C604-F612 HydrophobicContact CB-CZ 3.99Å; V609-F612 HydrophobicContact CB-CB 3.92Å; V609-F612 HydrophobicContact CG1-CB 3.87Å; V609-F612 PolarHBondContact O-N 2.99Å; P610-F612 VanDerWaalsContact C-N 3.31Å; P610-F612 PolarHBondContact O-N 2.81Å; F612-Q614 VanDerWaalsContact C-N 3.33Å; F612-Q614 PolarHBondContact O-N 3.48Å; F612-H615 PolarHBondContact O-N 3.03Å; F612-I616 HydrophobicContact CD2-CD1 4.35Å; F612-I616 HydrophobicContact CD2-CG1 3.88Å; F612-I616 HydrophobicContact CE2-CD1 3.7Å; F612-I616 HydrophobicContact CE2-CG1 3.57Å; F612-I616 HydrophobicContact CZ-CD1 4.39Å; F612-I616 HydrophobicContact CZ-CG1 4.16Å; F612-I616 WeakPolarHBondContact O-CG1 3.44Å; F612-I616 PolarHBondContact O-N 3.23Å; F612-I616 VanDerWaalsContact O-N 3.1Å; F612-I660 HydrophobicContact CD2-CG2 4.17Å; F612-I660 HydrophobicContact CE2-CD1 4.43Å; F612-I660 HydrophobicContact CE2-CG1 4.12Å; F612-I660 HydrophobicContact CE2-CG2 3.67Å; F612-I660 HydrophobicContact CZ-CG2 4.32Å; F612-V663 HydrophobicContact CB-CG2 4Å; F612-V663 HydrophobicContact CD2-CG2 4.1Å; F612-V663 HydrophobicContact CG-CG2 4.46Å; F612-L664 HydrophobicContact CB-CD2 4Å; F612-L664 HydrophobicContact CB-CG 4.47Å; F612-L664 HydrophobicContact CD1-CD2 3.83Å; F612-L664 HydrophobicContact CD1-CG 4.45Å; F612-L664 HydrophobicContact CG-CD2 3.97Å; F612-L664 HydrophobicContact CG-CG 4.29Å |
| 613 | C | 94.5 | Very high | 94.2 | Very high | 25 Ų | 25 | 39 Ų | 39 | 17% | 0.169 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -55.4 | -49.5 | 173.6 | -67.6 | 0 | 0 | 0 | 0 | 111.1 | C604 V609 P610 H615 I616 H617 | C604-C613 VanDerWaalsContact C-SG 3.53Å; C604-C613 PolarHBondContact O-SG 3.18Å; V609-C613 PolarHBondContact O-N 3.01Å; V609-C613 PolarHBondContact O-SG 2.98Å; V609-C613 VanDerWaalsContact O-SG 3.35Å; P610-C613 WeakPolarHBondContact O-CB 3.46Å; P610-C613 PolarHBondContact O-N 3.06Å; C613-H615 PolarHBondContact O-N 2.91Å; C613-I616 PolarHBondContact O-N 3.09Å; C613-H617 PolarHBondContact O-N 3.26Å; C613-H617 PolarHBondContact O-ND1 2.94Å |
| 614 | Q | 94.3 | Very high | 94.1 | Very high | 119 Ų | 119 | 44 Ų | 44 | 56% | 0.556 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -56.3 | -50.9 | -179.4 | -178.2 | 179.1 | -9.6 | 0 | 0 | 111.7 | P610 F612 I616 H617 E618 | P610-Q614 WeakPolarHBondContact O-CB 3.12Å; P610-Q614 PolarHBondContact O-N 2.97Å; F612-Q614 VanDerWaalsContact C-N 3.33Å; F612-Q614 PolarHBondContact O-N 3.48Å; Q614-I616 VanDerWaalsContact C-N 3.33Å; Q614-I616 PolarHBondContact O-N 3.31Å; Q614-H617 PolarHBondContact O-N 3.03Å; Q614-E618 WeakPolarHBondContact CG-OE1 3.45Å; Q614-E618 PolarHBondContact NE2-OE1 2.72Å; Q614-E618 WeakPolarHBondContact O-CG 3.33Å; Q614-E618 PolarHBondContact O-N 3.48Å |
| 615 | H | 94.6 | Very high | 93.9 | Very high | 17 Ų | 17 | 51.7 Ų | 51.7 | 8% | 0.079 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.3 | -43.2 | 179.6 | 177.7 | 51.8 | 0 | 0 | 0 | 112.5 | A611 F612 C613 H617 E618 V619 | A611-H615 PolarHBondContact O-N 3.42Å; F612-H615 PolarHBondContact O-N 3.03Å; C613-H615 PolarHBondContact O-N 2.91Å; H615-H617 PolarHBondContact O-N 2.85Å; H615-E618 PolarHBondContact O-N 3.48Å; H615-V619 WeakPolarHBondContact O-CG2 3.33Å; H615-V619 PolarHBondContact O-N 3.5Å |
| 616 | I | 96.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.2 | -41 | 178.3 | -64.9 | -55.1 | 0 | 0 | 0 | 111.4 | L600 N601 C604 F612 C613 Q614 V619 I620 F655 I660 | L600-I616 HydrophobicContact CB-CD1 4Å; L600-I616 HydrophobicContact CB-CG2 4.43Å; L600-I616 HydrophobicContact CD1-CD1 4.44Å; N601-I616 HydrophobicContact CB-CG2 4.39Å; C604-I616 HydrophobicContact CB-CB 4.38Å; C604-I616 HydrophobicContact CB-CG1 3.98Å; F612-I616 HydrophobicContact CD2-CD1 4.35Å; F612-I616 HydrophobicContact CD2-CG1 3.88Å; F612-I616 HydrophobicContact CE2-CD1 3.7Å; F612-I616 HydrophobicContact CE2-CG1 3.57Å; F612-I616 HydrophobicContact CZ-CD1 4.39Å; F612-I616 HydrophobicContact CZ-CG1 4.16Å; F612-I616 WeakPolarHBondContact O-CG1 3.44Å; F612-I616 PolarHBondContact O-N 3.23Å; F612-I616 VanDerWaalsContact O-N 3.1Å; C613-I616 PolarHBondContact O-N 3.09Å; Q614-I616 VanDerWaalsContact C-N 3.33Å; Q614-I616 PolarHBondContact O-N 3.31Å; I616-V619 PolarHBondContact O-N 2.82Å; I616-I620 HydrophobicContact CG2-CD1 3.7Å; I616-I620 HydrophobicContact CG2-CG1 4.47Å; I616-I620 WeakPolarHBondContact O-CD1 3.48Å; I616-I620 VanDerWaalsContact O-CG1 3.25Å; I616-I620 WeakPolarHBondContact O-CG1 3.44Å; I616-I620 PolarHBondContact O-N 3.41Å; I616-F655 HydrophobicContact CD1-CD1 3.48Å; I616-F655 VanDerWaalsContact CD1-CD1 3.48Å; I616-F655 HydrophobicContact CD1-CE1 3.59Å; I616-F655 HydrophobicContact CD1-CG 4.48Å; I616-F655 HydrophobicContact CG2-CE1 4.14Å; I616-I660 HydrophobicContact CD1-CD1 4.36Å |
| 617 | H | 95.4 | Very high | 93.4 | Very high | 66 Ų | 66 | 53.6 Ų | 53.6 | 31% | 0.306 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.8 | -40.4 | 177.1 | -73.1 | 87.8 | 0 | 0 | 0 | 112.2 | C613 Q614 H615 V619 I620 E621 | C613-H617 PolarHBondContact O-N 3.26Å; C613-H617 PolarHBondContact O-ND1 2.94Å; Q614-H617 PolarHBondContact O-N 3.03Å; H615-H617 PolarHBondContact O-N 2.85Å; H617-V619 VanDerWaalsContact C-N 3.35Å; H617-V619 PolarHBondContact O-N 3.3Å; H617-I620 PolarHBondContact O-N 2.86Å; H617-E621 WeakPolarHBondContact O-CG 3.43Å; H617-E621 PolarHBondContact O-N 3.41Å |
| 618 | E | 94.9 | Very high | 93.4 | Very high | 100 Ų | 100 | 56.1 Ų | 56.1 | 47% | 0.467 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57.5 | -45.8 | 175.8 | -73.1 | 169.2 | -176.7 | 0 | 0 | 111.7 | Q614 H615 E621 A622 | Q614-E618 WeakPolarHBondContact CG-OE1 3.45Å; Q614-E618 PolarHBondContact NE2-OE1 2.72Å; Q614-E618 WeakPolarHBondContact O-CG 3.33Å; Q614-E618 PolarHBondContact O-N 3.48Å; H615-E618 PolarHBondContact O-N 3.48Å; E618-E621 PolarHBondContact O-N 3.32Å; E618-A622 PolarHBondContact O-N 3.09Å |
| 619 | V | 95.8 | Very high | 93.6 | Very high | 6 Ų | 6 | 53.6 Ų | 53.6 | 4% | 0.036 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.7 | -37.5 | 177.6 | 177.7 | 0 | 0 | 0 | 0 | 111.6 | H615 I616 H617 A622 R623 F655 | H615-V619 WeakPolarHBondContact O-CG2 3.33Å; H615-V619 PolarHBondContact O-N 3.5Å; I616-V619 PolarHBondContact O-N 2.82Å; H617-V619 VanDerWaalsContact C-N 3.35Å; H617-V619 PolarHBondContact O-N 3.3Å; V619-A622 PolarHBondContact O-N 3.35Å; V619-R623 WeakPolarHBondContact O-CG 3.39Å; V619-R623 PolarHBondContact O-N 2.87Å; V619-F655 HydrophobicContact CB-CD1 3.84Å; V619-F655 HydrophobicContact CB-CE1 3.57Å; V619-F655 HydrophobicContact CB-CZ 4.31Å; V619-F655 HydrophobicContact CG1-CD1 3.67Å; V619-F655 HydrophobicContact CG1-CE1 3.49Å; V619-F655 VanDerWaalsContact CG1-CE1 3.49Å; V619-F655 HydrophobicContact CG1-CE2 4.35Å; V619-F655 HydrophobicContact CG1-CG 4.19Å; V619-F655 HydrophobicContact CG1-CZ 3.85Å; V619-F655 HydrophobicContact CG2-CD1 4.02Å; V619-F655 HydrophobicContact CG2-CE1 4.24Å |
| 620 | I | 96.3 | Very high | 93.6 | Very high | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.5 | -43.4 | 176.1 | -70.8 | 166 | 0 | 0 | 0 | 110.9 | I496 N601 I616 H617 A622 R623 Q624 L631 F655 | I496-I620 HydrophobicContact CD1-CD1 4.27Å; I496-I620 HydrophobicContact CG1-CG2 4.39Å; I496-I620 HydrophobicContact CG2-CD1 4.28Å; I496-I620 HydrophobicContact CG2-CG2 4.1Å; N601-I620 HydrophobicContact CB-CD1 3.75Å; I616-I620 HydrophobicContact CG2-CD1 3.7Å; I616-I620 HydrophobicContact CG2-CG1 4.47Å; I616-I620 WeakPolarHBondContact O-CD1 3.48Å; I616-I620 VanDerWaalsContact O-CG1 3.25Å; I616-I620 WeakPolarHBondContact O-CG1 3.44Å; I616-I620 PolarHBondContact O-N 3.41Å; H617-I620 PolarHBondContact O-N 2.86Å; I620-A622 VanDerWaalsContact C-N 3.34Å; I620-A622 PolarHBondContact O-N 3.49Å; I620-R623 PolarHBondContact O-N 3.02Å; I620-Q624 WeakPolarHBondContact O-CG 3.39Å; I620-Q624 PolarHBondContact O-N 3.31Å; I620-L631 HydrophobicContact CG2-CD2 4.35Å; I620-F655 HydrophobicContact CG1-CZ 4.36Å |
| 621 | E | 95.3 | Very high | 93.7 | Very high | 102 Ų | 102 | 48.2 Ų | 48.2 | 48% | 0.477 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.6 | -39.8 | 175.2 | -76.2 | -171.4 | -172.6 | 0 | 0 | 112.1 | H617 E618 Q624 K625 | H617-E621 WeakPolarHBondContact O-CG 3.43Å; H617-E621 PolarHBondContact O-N 3.41Å; E618-E621 PolarHBondContact O-N 3.32Å; E621-Q624 PolarHBondContact O-N 3.18Å; E621-K625 WeakPolarHBondContact O-CG 3.26Å; E621-K625 PolarHBondContact O-N 3.28Å |
| 622 | A | 94.6 | Very high | 93.8 | Very high | 19 Ų | 19 | 46.2 Ų | 46.2 | 16% | 0.157 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.4 | -47.1 | 173 | 0 | 0 | 0 | 0 | 0 | 110.9 | E618 V619 I620 Q624 K625 E626 V653 | E618-A622 PolarHBondContact O-N 3.09Å; V619-A622 PolarHBondContact O-N 3.35Å; I620-A622 VanDerWaalsContact C-N 3.34Å; I620-A622 PolarHBondContact O-N 3.49Å; A622-Q624 VanDerWaalsContact C-N 3.33Å; A622-Q624 PolarHBondContact O-N 2.93Å; A622-K625 PolarHBondContact O-N 3.4Å; A622-K625 VanDerWaalsContact O-N 3.14Å; A622-E626 WeakPolarHBondContact O-CB 3.4Å; A622-E626 PolarHBondContact O-N 3.18Å; A622-V653 HydrophobicContact CB-CG1 4.06Å |
| 623 | R | 94.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.6 | -38.3 | 174.8 | -73.5 | -178.4 | -177.7 | -167.1 | 8.6 | 113 | H593 V619 I620 K625 G627 P628 L630 L631 V653 | H593-R623 PolarHBondContact O-NH1 3.22Å; V619-R623 WeakPolarHBondContact O-CG 3.39Å; V619-R623 PolarHBondContact O-N 2.87Å; I620-R623 PolarHBondContact O-N 3.02Å; R623-K625 VanDerWaalsContact C-N 3.25Å; R623-K625 PolarHBondContact O-N 3.31Å; R623-G627 CarbonylContact O-C 3.53Å; R623-G627 WeakPolarHBondContact O-CA 3.49Å; R623-G627 PolarHBondContact O-N 3.1Å; R623-P628 VanDerWaalsContact O-N 3.1Å; R623-L630 HydrophobicContact CG-CB 4.24Å; R623-L630 HydrophobicContact CG-CD1 4.32Å; R623-L630 PolarHBondContact NH1-O 2.91Å; R623-L631 HydrophobicContact CB-CD1 3.82Å; R623-L631 HydrophobicContact CB-CD2 3.95Å; R623-L631 HydrophobicContact CB-CG 3.79Å; R623-V653 HydrophobicContact CG-CB 3.95Å; R623-V653 HydrophobicContact CG-CG1 4.35Å; R623-V653 PolarHBondContact NE-O 3.14Å; R623-V653 PolarHBondContact NH2-O 2.93Å |
| 624 | Q | 93.3 | Very high | 93.4 | Very high | 108 Ų | 108 | 49.8 Ų | 49.8 | 51% | 0.505 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.4 | -33 | 176.9 | -74.7 | 176.5 | 2 | 0 | 0 | 112.5 | I620 E621 A622 L631 | I620-Q624 WeakPolarHBondContact O-CG 3.39Å; I620-Q624 PolarHBondContact O-N 3.31Å; E621-Q624 PolarHBondContact O-N 3.18Å; A622-Q624 VanDerWaalsContact C-N 3.33Å; A622-Q624 PolarHBondContact O-N 2.93Å; Q624-L631 HydrophobicContact CB-CD1 4.25Å; Q624-L631 HydrophobicContact CG-CD1 3.41Å; Q624-L631 VanDerWaalsContact CG-CD1 3.41Å |
| 625 | K | 90.7 | Very high | 93.4 | Very high | 161 Ų | 161 | 44.1 Ų | 44.1 | 70% | 0.7 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -84.9 | -44.6 | -179.9 | -68.2 | 170.9 | -174 | 163.7 | 0 | 112.5 | E621 A622 R623 | E621-K625 WeakPolarHBondContact O-CG 3.26Å; E621-K625 PolarHBondContact O-N 3.28Å; A622-K625 PolarHBondContact O-N 3.4Å; A622-K625 VanDerWaalsContact O-N 3.14Å; R623-K625 VanDerWaalsContact C-N 3.25Å; R623-K625 PolarHBondContact O-N 3.31Å |
| 626 | E | 89.1 | Confident | 93.3 | Very high | 111 Ų | 111 | 44.4 Ų | 44.4 | 52% | 0.519 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -103.8 | -27.8 | -165.5 | -65.3 | 169.1 | -159.5 | 0 | 0 | 113.4 | A622 V653 | A622-E626 WeakPolarHBondContact O-CB 3.4Å; A622-E626 PolarHBondContact O-N 3.18Å; E626-V653 HydrophobicContact CB-CG1 4.08Å; E626-V653 WeakPolarHBondContact OE2-CG1 3.39Å |
| 627 | G | 88.7 | Confident | 92.9 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | trans | -154.9 | 70.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R623 Y629 L630 | R623-G627 CarbonylContact O-C 3.53Å; R623-G627 WeakPolarHBondContact O-CA 3.49Å; R623-G627 PolarHBondContact O-N 3.1Å; G627-Y629 PolarHBondContact O-N 3.5Å; G627-L630 WeakPolarHBondContact O-CB 3.48Å; G627-L630 PolarHBondContact O-N 2.63Å | ||
| 628 | P | 91.3 | Very high | 92.1 | Very high | 64 Ų | 64 | 55 Ų | 55 | 42% | 0.416 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -57.8 | -25.3 | -179 | -25.5 | 33.5 | 0 | 0 | 0 | 114 | R623 L630 L631 G634 | R623-P628 VanDerWaalsContact O-N 3.1Å; P628-L630 PolarHBondContact O-N 3.08Å; P628-L631 PolarHBondContact O-N 3.34Å; P628-G634 WeakPolarHBondContact O-CA 3.3Å |
| 629 | Y | 91.4 | Very high | 91.4 | Very high | 59 Ų | 59 | 58 Ų | 58 | 23% | 0.231 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -65.8 | -11.2 | 175 | 53.9 | -99.2 | 0 | 0 | 0 | 113.7 | C590 G627 L631 P643 L646 | C590-Y629 VanDerWaalsContact CB-O 3.32Å; C590-Y629 WeakPolarHBondContact CB-O 3.41Å; G627-Y629 PolarHBondContact O-N 3.5Å; Y629-L631 VanDerWaalsContact C-N 3.31Å; Y629-P643 HydrophobicContact CD1-CG 4.45Å; Y629-P643 HydrophobicContact CD2-CG 3.83Å; Y629-P643 HydrophobicContact CE1-CB 4.26Å; Y629-P643 HydrophobicContact CE1-CG 4.3Å; Y629-P643 HydrophobicContact CE2-CB 4.34Å; Y629-P643 HydrophobicContact CE2-CG 3.67Å; Y629-P643 HydrophobicContact CG-CG 4.23Å; Y629-L646 HydrophobicContact CD2-CD2 4.46Å; Y629-L646 HydrophobicContact CE2-CD2 3.85Å |
| 630 | L | 93.5 | Very high | 91 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -89.3 | 2.2 | 172.5 | -57.3 | 177.5 | 0 | 0 | 0 | 112.8 | H593 A594 R623 G627 P628 L646 V649 V653 | H593-L630 CarbonylContact C-O 2.89Å; H593-L630 HydrophobicContact CB-CB 4.27Å; H593-L630 HydrophobicContact CB-CD2 3.85Å; A594-L630 WeakPolarHBondContact CA-O 3.37Å; A594-L630 PolarHBondContact N-O 3.11Å; R623-L630 HydrophobicContact CG-CB 4.24Å; R623-L630 HydrophobicContact CG-CD1 4.32Å; R623-L630 PolarHBondContact NH1-O 2.91Å; G627-L630 WeakPolarHBondContact O-CB 3.48Å; G627-L630 PolarHBondContact O-N 2.63Å; P628-L630 PolarHBondContact O-N 3.08Å; L630-L646 HydrophobicContact CD2-CD2 4.22Å; L630-V649 HydrophobicContact CD1-CG1 4.34Å; L630-V653 HydrophobicContact CD1-CB 4.5Å; L630-V653 HydrophobicContact CD1-CG2 4.19Å |
| 631 | L | 95.6 | Very high | 90.5 | Very high | 4 Ų | 4 | 68.3 Ų | 68.3 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -118.2 | 152.5 | 180 | -63.9 | 173.7 | 0 | 0 | 0 | 110.7 | I496 A597 I620 R623 Q624 P628 Y629 E633 G634 V635 | I496-L631 HydrophobicContact CD1-CD2 4.19Å; I496-L631 HydrophobicContact CG1-CD2 4.36Å; A597-L631 HydrophobicContact CB-CD2 3.93Å; I620-L631 HydrophobicContact CG2-CD2 4.35Å; R623-L631 HydrophobicContact CB-CD1 3.82Å; R623-L631 HydrophobicContact CB-CD2 3.95Å; R623-L631 HydrophobicContact CB-CG 3.79Å; Q624-L631 HydrophobicContact CB-CD1 4.25Å; Q624-L631 HydrophobicContact CG-CD1 3.41Å; Q624-L631 VanDerWaalsContact CG-CD1 3.41Å; P628-L631 PolarHBondContact O-N 3.34Å; Y629-L631 VanDerWaalsContact C-N 3.31Å; L631-E633 PolarHBondContact O-N 3.29Å; L631-G634 PolarHBondContact O-N 3.28Å; L631-G634 VanDerWaalsContact O-N 3.09Å; L631-V635 PolarHBondContact O-N 3.08Å; L631-V635 VanDerWaalsContact O-N 3.13Å |
| 632 | P | 94.1 | Very high | 90.2 | Very high | 4 Ų | 4 | 66.6 Ų | 66.6 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -52.4 | -42.6 | 179 | -26.8 | 34.2 | 0 | 0 | 0 | 113.3 | I494 I496 A594 A598 G634 F636 | I494-P632 HydrophobicContact CD1-CG 4.31Å; I494-P632 HydrophobicContact CG1-CB 4.14Å; I494-P632 HydrophobicContact CG1-CG 3.86Å; I494-P632 HydrophobicContact CG2-CB 4.3Å; I496-P632 HydrophobicContact CD1-CG 4.33Å; A594-P632 HydrophobicContact CB-CG 4.16Å; A598-P632 HydrophobicContact CB-CG 3.84Å; P632-G634 PolarHBondContact O-N 3.11Å; P632-F636 HydrophobicContact CB-CD2 4.11Å; P632-F636 HydrophobicContact CB-CE2 4.39Å; P632-F636 WeakPolarHBondContact O-CD2 3.39Å; P632-F636 PolarHBondContact O-N 2.83Å |
| 633 | E | 92.6 | Very high | 89.8 | Confident | 89 Ų | 89 | 66.5 Ų | 66.5 | 42% | 0.416 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.6 | -18.1 | -176 | -62.1 | 75.2 | -164.4 | 0 | 0 | 113.1 | I496 L631 L637 | I496-E633 PolarHBondContact N-OE1 3.06Å; L631-E633 PolarHBondContact O-N 3.29Å; E633-L637 WeakPolarHBondContact O-CD2 3.11Å; E633-L637 WeakPolarHBondContact O-CG 3.45Å |
| 634 | G | 89.9 | Confident | 89 | Confident | 11 Ų | 11 | 72.7 Ų | 72.7 | 11% | 0.113 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -100.1 | -38.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | P628 L631 P632 | P628-G634 WeakPolarHBondContact O-CA 3.3Å; L631-G634 PolarHBondContact O-N 3.28Å; L631-G634 VanDerWaalsContact O-N 3.09Å; P632-G634 PolarHBondContact O-N 3.11Å |
| 635 | V | 93.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -85.1 | -30.7 | -173.4 | 73 | 0 | 0 | 0 | 0 | 113.9 | Y587 C590 A591 A594 L631 L637 P640 L642 | Y587-V635 HydrophobicContact CD2-CG2 4.05Å; Y587-V635 HydrophobicContact CE2-CG2 4.02Å; C590-V635 HydrophobicContact CB-CB 4.37Å; C590-V635 HydrophobicContact CB-CG2 3.56Å; A591-V635 HydrophobicContact CB-CG2 4.45Å; A594-V635 HydrophobicContact CB-CG1 3.64Å; L631-V635 PolarHBondContact O-N 3.08Å; L631-V635 VanDerWaalsContact O-N 3.13Å; V635-L637 VanDerWaalsContact C-N 3.34Å; V635-L637 PolarHBondContact O-N 3.11Å; V635-P640 WeakPolarHBondContact O-CB 3.37Å; V635-L642 HydrophobicContact CG2-CD2 4.21Å |
| 636 | F | 91.8 | Very high | 87.9 | Confident | 23 Ų | 23 | 62.8 Ų | 62.8 | 10% | 0.101 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -97 | 25 | -176.9 | -59.7 | -58.1 | 0 | 0 | 0 | 113.6 | I494 Q540 Y543 Y587 A591 A594 P632 | I494-F636 HydrophobicContact CD1-CE2 3.93Å; I494-F636 HydrophobicContact CG1-CE2 4.49Å; I494-F636 HydrophobicContact CG2-CD2 3.48Å; I494-F636 VanDerWaalsContact CG2-CD2 3.48Å; I494-F636 HydrophobicContact CG2-CE2 3.38Å; I494-F636 HydrophobicContact CG2-CG 4.43Å; I494-F636 HydrophobicContact CG2-CZ 4.26Å; Q540-F636 HydrophobicContact CB-CD1 3.75Å; Q540-F636 HydrophobicContact CB-CE1 4.18Å; Q540-F636 HydrophobicContact CG-CB 4.17Å; Q540-F636 HydrophobicContact CG-CD1 3.6Å; Q540-F636 HydrophobicContact CG-CE1 4.19Å; Q540-F636 HydrophobicContact CG-CG 3.97Å; Y543-F636 HydrophobicContact CD2-CE1 4.09Å; Y543-F636 HydrophobicContact CD2-CZ 4.28Å; Y543-F636 HydrophobicContact CG-CE1 4.49Å; Y543-F636 HydrophobicContact CG-CZ 4.25Å; Y587-F636 WeakPolarHBondContact OH-CD1 3.24Å; A591-F636 HydrophobicContact CB-CE1 3.92Å; A591-F636 HydrophobicContact CB-CZ 3.89Å; A594-F636 HydrophobicContact CB-CE2 4.12Å; P632-F636 HydrophobicContact CB-CD2 4.11Å; P632-F636 HydrophobicContact CB-CE2 4.39Å; P632-F636 WeakPolarHBondContact O-CD2 3.39Å; P632-F636 PolarHBondContact O-N 2.83Å |
| 637 | L | 88 | Confident | 86.8 | Confident | 101 Ų | 101 | 64.4 Ų | 64.4 | 53% | 0.529 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -75.9 | 158.2 | 169.8 | -63.6 | 173.1 | 0 | 0 | 0 | 110.3 | E633 V635 H639 P640 | E633-L637 WeakPolarHBondContact O-CD2 3.11Å; E633-L637 WeakPolarHBondContact O-CG 3.45Å; V635-L637 VanDerWaalsContact C-N 3.34Å; V635-L637 PolarHBondContact O-N 3.11Å; L637-H639 PolarHBondContact O-N 3.41Å; L637-H639 VanDerWaalsContact O-N 3.14Å; L637-P640 WeakPolarHBondContact O-CD 3.3Å |
| 638 | E | 79.7 | Confident | 85.7 | Confident | 187 Ų | 187 | 73.8 Ų | 73.8 | 87% | 0.874 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -56.2 | -32 | 174.3 | -72.2 | -173.3 | 161.2 | 0 | 0 | 112.3 | ||
| 639 | H | 80.2 | Confident | 84.9 | Confident | 163 Ų | 163 | 72.1 Ų | 72.1 | 76% | 0.755 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -134.2 | 84.2 | 176.2 | -61 | -39.8 | 0 | 0 | 0 | 110.6 | L637 | L637-H639 PolarHBondContact O-N 3.41Å; L637-H639 VanDerWaalsContact O-N 3.14Å |
| 640 | P | 85.9 | Confident | 84.1 | Confident | 38 Ų | 38 | 75.8 Ų | 75.8 | 25% | 0.247 | 38% | 0.38 | C | S | . | . | trans | -72.6 | 136.3 | -177.2 | 29.3 | -31.8 | 0 | 0 | 0 | 111 | V635 L637 L642 | V635-P640 WeakPolarHBondContact O-CB 3.37Å; L637-P640 WeakPolarHBondContact O-CD 3.3Å; P640-L642 VanDerWaalsContact C-N 3.35Å; P640-L642 HydrophobicContact CB-CD2 4.18Å; P640-L642 HydrophobicContact CB-CG 4.21Å; P640-L642 HydrophobicContact CG-CD1 4.37Å; P640-L642 HydrophobicContact CG-CD2 4.42Å; P640-L642 HydrophobicContact CG-CG 4.17Å; P640-L642 PolarHBondContact O-N 3.34Å | ||
| 641 | K | 86.8 | Confident | 83.3 | Confident | 189 Ų | 189 | 80 Ų | 80 | 82% | 0.822 | 41% | 0.41 | S | S | * | . | trans | -81.7 | 82.5 | 173.4 | -67.6 | -178.8 | -178.1 | 176.6 | 0 | 109.4 | ||||
| 642 | L | 88.4 | Confident | 82.6 | Confident | 65 Ų | 65 | 82.1 Ų | 82.1 | 34% | 0.34 | 43% | 0.432 | S | S | . | . | trans | -78.8 | 143.5 | -179.2 | -61.1 | 174.7 | 0 | 0 | 0 | 111.6 | I586 Y587 C590 V635 P640 | I586-L642 HydrophobicContact CG2-CB 4.25Å; Y587-L642 HydrophobicContact CD2-CD1 4.39Å; C590-L642 HydrophobicContact CB-CD2 4.16Å; V635-L642 HydrophobicContact CG2-CD2 4.21Å; P640-L642 VanDerWaalsContact C-N 3.35Å; P640-L642 HydrophobicContact CB-CD2 4.18Å; P640-L642 HydrophobicContact CB-CG 4.21Å; P640-L642 HydrophobicContact CG-CD1 4.37Å; P640-L642 HydrophobicContact CG-CD2 4.42Å; P640-L642 HydrophobicContact CG-CG 4.17Å; P640-L642 PolarHBondContact O-N 3.34Å | ||
| 643 | P | 87.1 | Confident | 82.3 | Confident | 17 Ų | 17 | 82.2 Ų | 82.2 | 11% | 0.11 | 43% | 0.432 | C | S | . | . | trans | -71.3 | 157.8 | 175.2 | 32.1 | -36.6 | 0 | 0 | 0 | 111.1 | I586 Y629 S645 L646 | I586-P643 HydrophobicContact CG2-CG 4.21Å; Y629-P643 HydrophobicContact CD1-CG 4.45Å; Y629-P643 HydrophobicContact CD2-CG 3.83Å; Y629-P643 HydrophobicContact CE1-CB 4.26Å; Y629-P643 HydrophobicContact CE1-CG 4.3Å; Y629-P643 HydrophobicContact CE2-CB 4.34Å; Y629-P643 HydrophobicContact CE2-CG 3.67Å; Y629-P643 HydrophobicContact CG-CG 4.23Å; P643-S645 VanDerWaalsContact C-N 3.32Å; P643-S645 PolarHBondContact O-N 3.03Å; P643-L646 HydrophobicContact CG-CD2 3.89Å; P643-L646 HydrophobicContact CG-CG 4.16Å | ||
| 644 | P | 78.4 | Confident | 82.3 | Confident | 130 Ų | 130 | 79.2 Ų | 79.2 | 84% | 0.844 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -71.3 | -24.7 | 176.1 | 28.4 | -34.3 | 0 | 0 | 0 | 113.4 | I586 | I586-P644 WeakPolarHBondContact CD1-O 3.3Š|
| 645 | S | 80.2 | Confident | 82.5 | Confident | 56 Ų | 56 | 78.9 Ų | 78.9 | 39% | 0.392 | 41% | 0.414 | S | S | . | . | trans | -156.2 | 154 | 176.1 | 175.9 | 0 | 0 | 0 | 0 | 110.8 | P643 E647 | P643-S645 VanDerWaalsContact C-N 3.32Å; P643-S645 PolarHBondContact O-N 3.03Å; S645-E647 WeakPolarHBondContact OG-CG 3.43Å; S645-E647 PolarHBondContact OG-N 2.92Å | ||
| 646 | L | 80.6 | Confident | 82.5 | Confident | 5 Ų | 5 | 82.6 Ų | 82.6 | 3% | 0.026 | 43% | 0.434 | C | S | . | . | trans | -113.3 | 14.7 | 176.4 | -74.8 | 168.9 | 0 | 0 | 0 | 112.7 | I586 R589 Y629 L630 P643 K648 V649 | I586-L646 HydrophobicContact CG2-CD1 4.34Å; R589-L646 HydrophobicContact CB-CD1 3.51Å; R589-L646 HydrophobicContact CG-CD1 4.47Å; Y629-L646 HydrophobicContact CD2-CD2 4.46Å; Y629-L646 HydrophobicContact CE2-CD2 3.85Å; L630-L646 HydrophobicContact CD2-CD2 4.22Å; P643-L646 HydrophobicContact CG-CD2 3.89Å; P643-L646 HydrophobicContact CG-CG 4.16Å; L646-K648 PolarHBondContact O-N 2.98Å; L646-V649 HydrophobicContact CB-CG2 4.45Å; L646-V649 HydrophobicContact CD2-CG2 3.98Å | ||
| 647 | E | 65.8 | Low | 82.5 | Confident | 145 Ų | 145 | 83.9 Ų | 83.9 | 68% | 0.678 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -12.6 | -175.7 | -71.2 | 169.5 | -171.4 | 0 | 0 | 114.5 | T580 S645 | T580-E647 HydrophobicContact CG2-CG 4.09Å; S645-E647 WeakPolarHBondContact OG-CG 3.43Å; S645-E647 PolarHBondContact OG-N 2.92Å |
| 648 | K | 64.8 | Low | 82.6 | Confident | 199 Ų | 199 | 83.4 Ų | 83.4 | 87% | 0.865 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.9 | 55.5 | -178.2 | -64.4 | -175.1 | -179.1 | 180 | 0 | 111.9 | L646 E650 | L646-K648 PolarHBondContact O-N 2.98Å; K648-E650 PolarHBondContact O-N 3.01Å |
| 649 | V | 74.3 | Confident | 83.2 | Confident | 29 Ų | 29 | 78 Ų | 78 | 18% | 0.176 | 42% | 0.419 | C | S | . | . | trans | -72.3 | 121.2 | 169.5 | -178.5 | 0 | 0 | 0 | 0 | 108.3 | L578 L630 L646 V653 L654 | L578-V649 HydrophobicContact CD2-CB 3.98Å; L578-V649 HydrophobicContact CD2-CG2 3.98Å; L630-V649 HydrophobicContact CD1-CG1 4.34Å; L646-V649 HydrophobicContact CB-CG2 4.45Å; L646-V649 HydrophobicContact CD2-CG2 3.98Å; V649-V653 HydrophobicContact CG1-CG2 3.38Å; V649-L654 HydrophobicContact CG1-CD2 3.74Å; V649-L654 HydrophobicContact CG1-CG 4.05Å | ||
| 650 | E | 75.4 | Confident | 83.8 | Confident | 135 Ų | 135 | 70.3 Ų | 70.3 | 63% | 0.631 | 38% | 0.383 | S | S | * | . | trans | -64.4 | 147.4 | 179.8 | -65.1 | -170.9 | -179.5 | 0 | 0 | 111.4 | K648 G652 V653 | K648-E650 PolarHBondContact O-N 3.01Å; E650-G652 PolarHBondContact O-N 3.23Å; E650-V653 WeakPolarHBondContact O-CG2 2.91Å; E650-V653 PolarHBondContact O-N 3.47Å | ||
| 651 | S | 75.8 | Confident | 84.1 | Confident | 91 Ų | 91 | 69.1 Ų | 69.1 | 64% | 0.636 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -63.7 | -23.5 | -178.2 | 55.6 | 0 | 0 | 0 | 0 | 113.3 | V653 L654 | S651-V653 VanDerWaalsContact C-N 3.27Å; S651-V653 PolarHBondContact O-N 3.2Å; S651-L654 PolarHBondContact O-N 3.2Å |
| 652 | G | 80.7 | Confident | 84.3 | Confident | 47 Ų | 47 | 66.2 Ų | 66.2 | 49% | 0.485 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -67.5 | -21.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114.7 | E650 | E650-G652 PolarHBondContact O-N 3.23Š|
| 653 | V | 88.1 | Confident | 84.4 | Confident | 7 Ų | 7 | 64.3 Ų | 64.3 | 4% | 0.042 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -100.8 | 6 | 177.5 | -63.7 | 0 | 0 | 0 | 0 | 113 | A622 R623 E626 L630 V649 E650 S651 | A622-V653 HydrophobicContact CB-CG1 4.06Å; R623-V653 HydrophobicContact CG-CB 3.95Å; R623-V653 HydrophobicContact CG-CG1 4.35Å; R623-V653 PolarHBondContact NE-O 3.14Å; R623-V653 PolarHBondContact NH2-O 2.93Å; E626-V653 HydrophobicContact CB-CG1 4.08Å; E626-V653 WeakPolarHBondContact OE2-CG1 3.39Å; L630-V653 HydrophobicContact CD1-CB 4.5Å; L630-V653 HydrophobicContact CD1-CG2 4.19Å; V649-V653 HydrophobicContact CG1-CG2 3.38Å; E650-V653 WeakPolarHBondContact O-CG2 2.91Å; E650-V653 PolarHBondContact O-N 3.47Å; S651-V653 VanDerWaalsContact C-N 3.27Å; S651-V653 PolarHBondContact O-N 3.2Å |
| 654 | L | 92.9 | Very high | 84.5 | Confident | 25 Ų | 25 | 63.5 Ų | 63.5 | 13% | 0.131 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -104.2 | 142.3 | 179.4 | -63.9 | 178.9 | 0 | 0 | 0 | 111.5 | Q574 L578 V649 S651 L656 | Q574-L654 HydrophobicContact CG-CD2 4.16Å; L578-L654 HydrophobicContact CD1-CD1 3.88Å; L578-L654 HydrophobicContact CD1-CD2 4.01Å; L578-L654 HydrophobicContact CD2-CD2 4.27Å; V649-L654 HydrophobicContact CG1-CD2 3.74Å; V649-L654 HydrophobicContact CG1-CG 4.05Å; S651-L654 PolarHBondContact O-N 3.2Å; L654-L656 PolarHBondContact O-N 3.18Å |
| 655 | F | 94.5 | Very high | 84.7 | Confident | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.018 | 33% | 0.333 | C | S | . | . | trans | -74.3 | 120.2 | 169.6 | -61.2 | -69.2 | 0 | 0 | 0 | 109.1 | L571 Q574 A597 L600 I616 V619 I620 I660 | L571-F655 HydrophobicContact CD2-CB 3.81Å; Q574-F655 PolarHBondContact NE2-O 2.77Å; A597-F655 HydrophobicContact CB-CE2 4.08Å; A597-F655 HydrophobicContact CB-CZ 4.19Å; L600-F655 HydrophobicContact CD1-CB 3.97Å; L600-F655 HydrophobicContact CD1-CD1 3.98Å; L600-F655 HydrophobicContact CD1-CD2 3.35Å; L600-F655 HydrophobicContact CD1-CE1 4.31Å; L600-F655 HydrophobicContact CD1-CE2 3.76Å; L600-F655 HydrophobicContact CD1-CG 3.49Å; L600-F655 VanDerWaalsContact CD1-CG 3.49Å; L600-F655 HydrophobicContact CD1-CZ 4.22Å; I616-F655 HydrophobicContact CD1-CD1 3.48Å; I616-F655 VanDerWaalsContact CD1-CD1 3.48Å; I616-F655 HydrophobicContact CD1-CE1 3.59Å; I616-F655 HydrophobicContact CD1-CG 4.48Å; I616-F655 HydrophobicContact CG2-CE1 4.14Å; V619-F655 HydrophobicContact CB-CD1 3.84Å; V619-F655 HydrophobicContact CB-CE1 3.57Å; V619-F655 HydrophobicContact CB-CZ 4.31Å; V619-F655 HydrophobicContact CG1-CD1 3.67Å; V619-F655 HydrophobicContact CG1-CE1 3.49Å; V619-F655 VanDerWaalsContact CG1-CE1 3.49Å; V619-F655 HydrophobicContact CG1-CE2 4.35Å; V619-F655 HydrophobicContact CG1-CG 4.19Å; V619-F655 HydrophobicContact CG1-CZ 3.85Å; V619-F655 HydrophobicContact CG2-CD1 4.02Å; V619-F655 HydrophobicContact CG2-CE1 4.24Å; I620-F655 HydrophobicContact CG1-CZ 4.36Å; F655-I660 HydrophobicContact CB-CD1 4.05Å | ||
| 656 | L | 92.7 | Very high | 84.7 | Confident | 78 Ų | 78 | 60.4 Ų | 60.4 | 41% | 0.408 | 35% | 0.353 | S | S | . | . | trans | -93.9 | 119 | -176.1 | -62.2 | 178.9 | 0 | 0 | 0 | 110.7 | L654 S658 K659 I660 | L654-L656 PolarHBondContact O-N 3.18Å; L656-S658 VanDerWaalsContact C-N 3.3Å; L656-S658 PolarHBondContact O-N 2.97Å; L656-K659 HydrophobicContact CB-CB 3.98Å; L656-K659 PolarHBondContact O-N 3.1Å; L656-K659 VanDerWaalsContact O-N 3.1Å; L656-I660 WeakPolarHBondContact O-CG1 3.49Å; L656-I660 PolarHBondContact O-N 2.86Å | ||
| 657 | Q | 92.1 | Very high | 84.9 | Confident | 51 Ų | 51 | 62.7 Ų | 62.7 | 24% | 0.238 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -55.1 | -43.5 | 179 | -174.3 | -178.2 | 6.2 | 0 | 0 | 112.5 | L571 K659 I660 A661 L674 A675 | L571-Q657 HydrophobicContact CD1-CB 3.94Å; L571-Q657 HydrophobicContact CD1-CG 3.91Å; Q657-K659 VanDerWaalsContact C-N 3.35Å; Q657-K659 PolarHBondContact O-N 3.42Å; Q657-I660 PolarHBondContact O-N 3.42Å; Q657-A661 WeakPolarHBondContact O-CB 3.4Å; Q657-A661 PolarHBondContact O-N 3.41Å; Q657-L674 PolarHBondContact NE2-O 2.91Å; Q657-A675 PolarHBondContact NE2-O 3.37Å |
| 658 | S | 91.3 | Very high | 85.6 | Confident | 91 Ų | 91 | 58.7 Ų | 58.7 | 64% | 0.636 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -61.9 | -40.9 | 177.8 | 53.1 | 0 | 0 | 0 | 0 | 112.4 | L656 A661 E662 | L656-S658 VanDerWaalsContact C-N 3.3Å; L656-S658 PolarHBondContact O-N 2.97Å; S658-A661 PolarHBondContact O-N 2.98Å; S658-E662 WeakPolarHBondContact O-CB 3.44Å; S658-E662 PolarHBondContact O-N 3.48Å |
| 659 | K | 91.6 | Very high | 86.8 | Confident | 74 Ų | 74 | 50.9 Ų | 50.9 | 32% | 0.322 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -70.6 | -40 | 178.8 | -167.5 | 66.6 | -167.5 | 165.8 | 0 | 111.7 | L656 Q657 E662 V663 | L656-K659 HydrophobicContact CB-CB 3.98Å; L656-K659 PolarHBondContact O-N 3.1Å; L656-K659 VanDerWaalsContact O-N 3.1Å; Q657-K659 VanDerWaalsContact C-N 3.35Å; Q657-K659 PolarHBondContact O-N 3.42Å; K659-E662 WeakPolarHBondContact CD-OE2 3.29Å; K659-E662 VanDerWaalsContact NZ-CD 3.27Å; K659-E662 IonicContact NZ-OE1 3.1Å; K659-E662 PolarHBondContact NZ-OE1 3.19Å; K659-E662 VanDerWaalsContact NZ-OE1 3.1Å; K659-E662 IonicContact NZ-OE2 2.81Å; K659-E662 PolarHBondContact NZ-OE2 2.85Å; K659-E662 WeakPolarHBondContact O-CB 3.43Å; K659-E662 PolarHBondContact O-N 3.38Å; K659-V663 WeakPolarHBondContact O-CG1 3.33Å; K659-V663 WeakPolarHBondContact O-CG2 3.23Å; K659-V663 PolarHBondContact O-N 2.99Å |
| 660 | I | 93.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 176.2 | -66.3 | 168.1 | 0 | 0 | 0 | 110.9 | I567 L571 F612 I616 F655 L656 Q657 V663 L664 L674 | I567-I660 HydrophobicContact CG2-CG2 3.99Å; L571-I660 HydrophobicContact CD1-CD1 4.35Å; L571-I660 HydrophobicContact CD2-CD1 3.87Å; F612-I660 HydrophobicContact CD2-CG2 4.17Å; F612-I660 HydrophobicContact CE2-CD1 4.43Å; F612-I660 HydrophobicContact CE2-CG1 4.12Å; F612-I660 HydrophobicContact CE2-CG2 3.67Å; F612-I660 HydrophobicContact CZ-CG2 4.32Å; I616-I660 HydrophobicContact CD1-CD1 4.36Å; F655-I660 HydrophobicContact CB-CD1 4.05Å; L656-I660 WeakPolarHBondContact O-CG1 3.49Å; L656-I660 PolarHBondContact O-N 2.86Å; Q657-I660 PolarHBondContact O-N 3.42Å; I660-V663 WeakPolarHBondContact O-CG2 3.31Å; I660-L664 HydrophobicContact CG2-CD1 3.75Å; I660-L664 WeakPolarHBondContact O-CB 3.11Å; I660-L664 WeakPolarHBondContact O-CG 3.46Å; I660-L664 PolarHBondContact O-N 3.3Å; I660-L664 VanDerWaalsContact O-N 3.14Å; I660-L674 HydrophobicContact CG2-CD2 4.14Å |
| 661 | A | 91.3 | Very high | 87.8 | Confident | 14 Ų | 14 | 48.9 Ų | 48.9 | 12% | 0.116 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q657 S658 L664 G665 T671 L674 | Q657-A661 WeakPolarHBondContact O-CB 3.4Å; Q657-A661 PolarHBondContact O-N 3.41Å; S658-A661 PolarHBondContact O-N 2.98Å; A661-L664 PolarHBondContact O-N 3.42Å; A661-G665 PolarHBondContact O-N 3.11Å; A661-T671 WeakPolarHBondContact O-CG2 3.44Å; A661-L674 HydrophobicContact CB-CD2 4Å; A661-L674 HydrophobicContact CB-CG 4.23Å |
| 662 | E | 90.6 | Very high | 88.3 | Confident | 128 Ų | 128 | 50.7 Ų | 50.7 | 60% | 0.598 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -60.3 | -49.6 | 176.2 | -171.5 | -163.4 | 153.7 | 0 | 0 | 111.8 | S658 K659 L664 G665 | S658-E662 WeakPolarHBondContact O-CB 3.44Å; S658-E662 PolarHBondContact O-N 3.48Å; K659-E662 WeakPolarHBondContact CD-OE2 3.29Å; K659-E662 VanDerWaalsContact NZ-CD 3.27Å; K659-E662 IonicContact NZ-OE1 3.1Å; K659-E662 PolarHBondContact NZ-OE1 3.19Å; K659-E662 VanDerWaalsContact NZ-OE1 3.1Å; K659-E662 IonicContact NZ-OE2 2.81Å; K659-E662 PolarHBondContact NZ-OE2 2.85Å; K659-E662 WeakPolarHBondContact O-CB 3.43Å; K659-E662 PolarHBondContact O-N 3.38Å; E662-L664 VanDerWaalsContact C-N 3.31Å; E662-L664 PolarHBondContact O-N 3.04Å; E662-G665 PolarHBondContact O-N 2.73Å |
| 663 | V | 91.8 | Very high | 88.6 | Confident | 24 Ų | 24 | 52.6 Ų | 52.6 | 15% | 0.145 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -72.2 | -22.3 | -176.4 | -60.1 | 0 | 0 | 0 | 0 | 113.6 | A611 F612 K659 I660 | A611-V663 HydrophobicContact CB-CB 3.99Å; A611-V663 HydrophobicContact CB-CG1 4.25Å; F612-V663 HydrophobicContact CB-CG2 4Å; F612-V663 HydrophobicContact CD2-CG2 4.1Å; F612-V663 HydrophobicContact CG-CG2 4.46Å; K659-V663 WeakPolarHBondContact O-CG1 3.33Å; K659-V663 WeakPolarHBondContact O-CG2 3.23Å; K659-V663 PolarHBondContact O-N 2.99Å; I660-V663 WeakPolarHBondContact O-CG2 3.31Å |
| 664 | L | 89.4 | Confident | 88.6 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -90.5 | -18.3 | 176.4 | -72.1 | 173 | 0 | 0 | 0 | 113.6 | I567 V609 F612 I660 A661 E662 G666 S667 Y669 L674 | I567-L664 HydrophobicContact CD1-CD1 3.82Å; V609-L664 HydrophobicContact CB-CD2 4.31Å; V609-L664 HydrophobicContact CG1-CD2 4.28Å; V609-L664 HydrophobicContact CG2-CD2 4.12Å; F612-L664 HydrophobicContact CB-CD2 4Å; F612-L664 HydrophobicContact CB-CG 4.47Å; F612-L664 HydrophobicContact CD1-CD2 3.83Å; F612-L664 HydrophobicContact CD1-CG 4.45Å; F612-L664 HydrophobicContact CG-CD2 3.97Å; F612-L664 HydrophobicContact CG-CG 4.29Å; I660-L664 HydrophobicContact CG2-CD1 3.75Å; I660-L664 WeakPolarHBondContact O-CB 3.11Å; I660-L664 WeakPolarHBondContact O-CG 3.46Å; I660-L664 PolarHBondContact O-N 3.3Å; I660-L664 VanDerWaalsContact O-N 3.14Å; A661-L664 PolarHBondContact O-N 3.42Å; E662-L664 VanDerWaalsContact C-N 3.31Å; E662-L664 PolarHBondContact O-N 3.04Å; L664-G666 PolarHBondContact O-N 2.92Å; L664-G666 VanDerWaalsContact O-N 3.13Å; L664-S667 PolarHBondContact O-N 2.96Å; L664-Y669 HydrophobicContact CB-CD2 4.49Å; L664-Y669 HydrophobicContact CD2-CD2 3.86Å; L664-Y669 HydrophobicContact CD2-CE2 4.16Å; L664-L674 HydrophobicContact CB-CD2 4.48Å; L664-L674 HydrophobicContact CD1-CD2 3.79Å |
| 665 | G | 82 | Confident | 88.3 | Confident | 43 Ų | 43 | 53.9 Ų | 53.9 | 44% | 0.443 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -20.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | A661 E662 | A661-G665 PolarHBondContact O-N 3.11Å; E662-G665 PolarHBondContact O-N 2.73Å |
| 666 | G | 79.1 | Confident | 87.9 | Confident | 79 Ų | 79 | 57.4 Ų | 57.4 | 81% | 0.814 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -2.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | L664 | L664-G666 PolarHBondContact O-N 2.92Å; L664-G666 VanDerWaalsContact O-N 3.13Å |
| 667 | S | 85.9 | Confident | 87.6 | Confident | 53 Ų | 53 | 57 Ų | 57 | 37% | 0.371 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | 16.5 | -164.5 | -53.6 | 0 | 0 | 0 | 0 | 114.4 | V609 L664 Y669 | V609-S667 WeakPolarHBondContact CG1-OG 3.44Å; L664-S667 PolarHBondContact O-N 2.96Å; S667-Y669 PolarHBondContact O-N 2.86Å |
| 668 | G | 80.8 | Confident | 87.5 | Confident | 61 Ų | 61 | 55.9 Ų | 55.9 | 63% | 0.629 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.2 | -5.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 669 | Y | 88.8 | Confident | 87.2 | Confident | 34 Ų | 34 | 55.2 Ų | 55.2 | 13% | 0.133 | 35% | 0.347 | C | S | . | . | trans | -78.7 | 145.2 | 176.3 | -63.5 | -79.5 | 0 | 0 | 0 | 112.5 | E560 V563 V564 T607 V609 L664 S667 T671 | E560-Y669 HydrophobicContact CB-CD1 4.13Å; E560-Y669 HydrophobicContact CB-CE1 4.05Å; E560-Y669 HydrophobicContact CG-CE1 4.08Å; V563-Y669 HydrophobicContact CB-CE1 4.06Å; V563-Y669 HydrophobicContact CG1-CD1 4.38Å; V563-Y669 HydrophobicContact CG1-CE1 3.81Å; V564-Y669 HydrophobicContact CG2-CD1 3.98Å; V564-Y669 HydrophobicContact CG2-CG 4.41Å; T607-Y669 WeakPolarHBondContact CB-OH 3.44Å; T607-Y669 HydrophobicContact CG2-CE1 4.47Å; T607-Y669 VanDerWaalsContact CG2-OH 3.31Å; T607-Y669 WeakPolarHBondContact CG2-OH 3.38Å; V609-Y669 HydrophobicContact CG2-CE2 4.04Å; L664-Y669 HydrophobicContact CB-CD2 4.49Å; L664-Y669 HydrophobicContact CD2-CD2 3.86Å; L664-Y669 HydrophobicContact CD2-CE2 4.16Å; S667-Y669 PolarHBondContact O-N 2.86Å; Y669-T671 PolarHBondContact O-N 3.4Å | ||
| 670 | N | 87 | Confident | 86.5 | Confident | 79 Ų | 79 | 53.7 Ų | 53.7 | 42% | 0.422 | 34% | 0.344 | S | S | . | . | trans | -73.4 | 97.9 | 179.9 | -171.6 | -40.2 | 0 | 0 | 0 | 111.8 | D672 R673 L674 | N670-D672 PolarHBondContact OD1-N 3.4Å; N670-R673 HydrophobicContact CB-CB 4.23Å; N670-R673 WeakPolarHBondContact OD1-CB 3.36Å; N670-R673 PolarHBondContact OD1-N 3.31Å; N670-L674 PolarHBondContact O-N 3.5Å; N670-L674 VanDerWaalsContact O-N 3.15Å | ||
| 671 | T | 84.2 | Confident | 85.3 | Confident | 44 Ų | 44 | 60 Ų | 60 | 27% | 0.27 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -69.3 | -31.3 | -179.7 | 47.9 | 0 | 0 | 0 | 0 | 114 | A661 Y669 R673 L674 A675 | A661-T671 WeakPolarHBondContact O-CG2 3.44Å; Y669-T671 PolarHBondContact O-N 3.4Å; T671-R673 VanDerWaalsContact C-N 3.35Å; T671-L674 PolarHBondContact O-N 3Å; T671-A675 WeakPolarHBondContact O-CB 3.43Å; T671-A675 PolarHBondContact O-N 2.99Å |
| 672 | D | 85.6 | Confident | 83.5 | Confident | 129 Ų | 129 | 66.8 Ų | 66.8 | 69% | 0.69 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -66.9 | -41.6 | -179.4 | -61.9 | -24.8 | 0 | 0 | 0 | 110.5 | N670 A675 T676 | N670-D672 PolarHBondContact OD1-N 3.4Å; D672-A675 PolarHBondContact O-N 3.38Å; D672-T676 PolarHBondContact O-N 3.34Å; D672-T676 PolarHBondContact O-OG1 3.37Å |
| 673 | R | 86.9 | Confident | 81.5 | Confident | 86 Ų | 86 | 62.9 Ų | 62.9 | 33% | 0.325 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66.2 | -42.6 | 173 | -172.5 | 176.6 | -175.6 | 156.6 | 4 | 111 | E561 V564 D565 R568 N670 T671 A675 T676 | E561-R673 IonicContact OE2-NH1 2.84Å; V564-R673 HydrophobicContact CG1-CB 4.24Å; V564-R673 HydrophobicContact CG1-CG 4.16Å; D565-R673 VanDerWaalsContact CG-NH2 3.29Å; D565-R673 IonicContact OD1-CZ 3.59Å; D565-R673 IonicContact OD1-NE 3.8Å; D565-R673 PolarHBondContact OD1-NE 3.1Å; D565-R673 IonicContact OD1-NH2 3.87Å; D565-R673 PolarHBondContact OD1-NH2 2.8Å; D565-R673 IonicContact OD2-CZ 3.32Å; D565-R673 VanDerWaalsContact OD2-CZ 3.31Å; D565-R673 IonicContact OD2-NE 2.72Å; D565-R673 IonicContact OD2-NH2 2.61Å; D565-R673 PolarHBondContact OD2-NH2 3.28Å; R568-R673 WeakPolarHBondContact CD-O 3.47Å; R568-R673 PolarHBondContact NE-O 2.91Å; R568-R673 VanDerWaalsContact NE-O 3.09Å; N670-R673 HydrophobicContact CB-CB 4.23Å; N670-R673 WeakPolarHBondContact OD1-CB 3.36Å; N670-R673 PolarHBondContact OD1-N 3.31Å; T671-R673 VanDerWaalsContact C-N 3.35Å; R673-A675 VanDerWaalsContact C-N 3.3Å; R673-A675 PolarHBondContact O-N 2.98Å; R673-T676 WeakPolarHBondContact O-CB 3.42Å; R673-T676 PolarHBondContact O-N 3.33Å; R673-T676 VanDerWaalsContact O-N 3.12Å |
| 674 | L | 88.4 | Confident | 78.9 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.005 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63.7 | -33.4 | 177.6 | -177.4 | 58.5 | 0 | 0 | 0 | 112.8 | V564 I567 R568 Q657 I660 A661 L664 N670 T671 T676 | V564-L674 HydrophobicContact CG1-CB 3.94Å; V564-L674 HydrophobicContact CG1-CD1 4.46Å; I567-L674 HydrophobicContact CB-CD1 4.28Å; I567-L674 HydrophobicContact CG2-CD1 3.72Å; R568-L674 HydrophobicContact CG-CD1 3.82Å; Q657-L674 PolarHBondContact NE2-O 2.91Å; I660-L674 HydrophobicContact CG2-CD2 4.14Å; A661-L674 HydrophobicContact CB-CD2 4Å; A661-L674 HydrophobicContact CB-CG 4.23Å; L664-L674 HydrophobicContact CB-CD2 4.48Å; L664-L674 HydrophobicContact CD1-CD2 3.79Å; N670-L674 PolarHBondContact O-N 3.5Å; N670-L674 VanDerWaalsContact O-N 3.15Å; T671-L674 PolarHBondContact O-N 3Å; L674-T676 PolarHBondContact O-N 3.18Å |
| 675 | A | 86.3 | Confident | 76.8 | Confident | 59 Ų | 59 | 74.4 Ų | 74.4 | 49% | 0.488 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -70.5 | -16.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q657 T671 D672 R673 P677 | Q657-A675 PolarHBondContact NE2-O 3.37Å; T671-A675 WeakPolarHBondContact O-CB 3.43Å; T671-A675 PolarHBondContact O-N 2.99Å; D672-A675 PolarHBondContact O-N 3.38Å; R673-A675 VanDerWaalsContact C-N 3.3Å; R673-A675 PolarHBondContact O-N 2.98Å; A675-P677 WeakPolarHBondContact O-CD 3.42Å |
| 676 | T | 87.8 | Confident | 74.9 | Confident | 78 Ų | 78 | 74.3 Ų | 74.3 | 48% | 0.479 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -88.5 | 118.3 | 174.8 | -54.2 | 0 | 0 | 0 | 0 | 109.8 | R568 D672 R673 L674 | R568-T676 VanDerWaalsContact CZ-O 3.27Å; R568-T676 PolarHBondContact NE-O 3.39Å; R568-T676 PolarHBondContact NH2-O 3.04Å; D672-T676 PolarHBondContact O-N 3.34Å; D672-T676 PolarHBondContact O-OG1 3.37Å; R673-T676 WeakPolarHBondContact O-CB 3.42Å; R673-T676 PolarHBondContact O-N 3.33Å; R673-T676 VanDerWaalsContact O-N 3.12Å; L674-T676 PolarHBondContact O-N 3.18Å |
| 677 | P | 86.4 | Confident | 72.9 | Confident | 70 Ų | 70 | 79.5 Ų | 79.5 | 46% | 0.455 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -55 | 148 | 177.4 | -25.8 | 35 | 0 | 0 | 0 | 112.4 | R568 A675 | R568-P677 PolarHBondContact NH2-O 3.49Å; R568-P677 VanDerWaalsContact NH2-O 3.14Å; A675-P677 WeakPolarHBondContact O-CD 3.42Å |
| 678 | Y | 89.8 | Confident | 70.5 | Confident | 26 Ų | 26 | 83 Ų | 83 | 10% | 0.102 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 131.4 | 171.6 | 173.9 | -98.3 | 0 | 0 | 0 | 109.5 | C526 R527 Y530 L569 A572 P680 | C526-Y678 HydrophobicContact CB-CE2 4.05Å; R527-Y678 WeakPolarHBondContact CA-OH 3.22Å; R527-Y678 WeakPolarHBondContact CB-OH 3.28Å; R527-Y678 PolarHBondContact N-OH 3.42Å; Y530-Y678 HydrophobicContact CD2-CD1 4.45Å; Y530-Y678 HydrophobicContact CD2-CE1 4.37Å; Y530-Y678 HydrophobicContact CG-CE1 4.43Å; L569-Y678 HydrophobicContact CD1-CD1 4.12Å; L569-Y678 HydrophobicContact CD1-CE1 3.97Å; A572-Y678 HydrophobicContact CB-CD1 4.02Å; A572-Y678 HydrophobicContact CB-CG 4.48Å; Y678-P680 HydrophobicContact CE1-CB 4.01Å |
| 679 | V | 83.7 | Confident | 68.4 | Low | 78 Ų | 78 | 83.2 Ų | 83.2 | 47% | 0.473 | 43% | 0.428 | S | S | . | . | trans | -121.3 | 122.2 | 176.3 | -166.8 | 0 | 0 | 0 | 0 | 109.2 | Q681 | V679-Q681 HydrophobicContact CG1-CG 3.78Å; V679-Q681 PolarHBondContact O-N 3.37Å | ||
| 680 | P | 77.9 | Confident | 65.9 | Low | 41 Ų | 41 | 90 Ų | 90 | 27% | 0.266 | 46% | 0.459 | S | S | . | . | trans | -77.2 | 66.5 | 179.7 | 32.6 | -36.4 | 0 | 0 | 0 | 111.3 | R527 Y530 Y678 | R527-P680 HydrophobicContact CG-CB 4.28Å; Y530-P680 HydrophobicContact CD1-CB 3.93Å; Y530-P680 HydrophobicContact CD1-CG 3.79Å; Y530-P680 HydrophobicContact CE1-CB 4.34Å; Y530-P680 HydrophobicContact CE1-CG 3.68Å; Y530-P680 HydrophobicContact CG-CB 4.3Å; Y530-P680 HydrophobicContact CG-CG 4.37Å; Y678-P680 HydrophobicContact CE1-CB 4.01Å | ||
| 681 | Q | 66.8 | Low | 63.3 | Low | 132 Ų | 132 | 97.2 Ų | 97.2 | 62% | 0.617 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -98 | 154.4 | 177 | -78.3 | 177.8 | 21.1 | 0 | 0 | 112.9 | Q523 V679 | Q523-Q681 PolarHBondContact NE2-O 3.09Å; V679-Q681 HydrophobicContact CG1-CG 3.78Å; V679-Q681 PolarHBondContact O-N 3.37Å |
| 682 | Y | 54 | Low | 61 | Low | 158 Ų | 158 | 102 Ų | 102 | 62% | 0.62 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -69.8 | 127.2 | 166.2 | -66.9 | -84.9 | 0 | 0 | 0 | 108.9 | R527 | R527-Y682 VanDerWaalsContact NH2-CZ 3.32Å; R527-Y682 PolarHBondContact NH2-OH 3.01Å |
| 683 | T | 49 | Very low | 58.8 | Low | 46 Ų | 46 | 100.5 Ų | 100.5 | 28% | 0.282 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 146.8 | 170.1 | 31.4 | 0 | 0 | 0 | 0 | 110.3 | E685 D686 | T683-E685 PolarHBondContact O-N 3.03Å; T683-D686 WeakPolarHBondContact O-CB 3.46Å; T683-D686 PolarHBondContact O-N 2.65Å |
| 684 | D | 36.9 | Very low | 56.4 | Low | 110 Ų | 110 | 104.8 Ų | 104.8 | 59% | 0.588 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -15 | -177.2 | -83.6 | -47.9 | 0 | 0 | 0 | 114.2 | D686 R687 | D684-D686 PolarHBondContact O-N 2.93Å; D684-R687 PolarHBondContact O-N 2.93Å; D684-R687 IonicContact OD1-CZ 2.69Å; D684-R687 IonicContact OD1-NH1 3.73Å; D684-R687 PolarHBondContact OD1-NH1 2.8Å; D684-R687 VanDerWaalsContact OD1-NH1 3.15Å |
| 685 | E | 44.8 | Very low | 53.8 | Low | 156 Ų | 156 | 107.9 Ų | 107.9 | 73% | 0.729 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -60.7 | -30.4 | 168.7 | -74.7 | -163.2 | 150.4 | 0 | 0 | 112.8 | T683 R687 L688 S689 | T683-E685 PolarHBondContact O-N 3.03Å; E685-R687 VanDerWaalsContact C-N 3.27Å; E685-R687 PolarHBondContact O-N 3.35Å; E685-L688 PolarHBondContact O-N 2.93Å; E685-S689 PolarHBondContact O-N 2.92Å; E685-S689 PolarHBondContact O-OG 3.33Å |
| 686 | D | 41.9 | Very low | 51 | Low | 41 Ų | 41 | 112.8 Ų | 112.8 | 22% | 0.219 | 57% | 0.569 | C | S | . | * | H | α-helix | trans | -69 | -20.9 | 176.4 | -85.4 | -26.2 | 0 | 0 | 0 | 113.7 | H524 T683 D684 S689 | H524-D686 IonicContact CE1-OD1 3.92Å; H524-D686 IonicContact CE1-OD2 3.76Å; T683-D686 WeakPolarHBondContact O-CB 3.46Å; T683-D686 PolarHBondContact O-N 2.65Å; D684-D686 PolarHBondContact O-N 2.93Å; D686-S689 WeakPolarHBondContact CA-OG 3.44Å; D686-S689 PolarHBondContact O-OG 2.92Å; D686-S689 VanDerWaalsContact O-OG 3.14Å |
| 687 | R | 37.8 | Very low | 48.3 | Very low | 188 Ų | 188 | 115.2 Ų | 115.2 | 71% | 0.709 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -79.9 | -27.7 | 175.7 | -73.3 | 178.6 | 165 | 167.7 | -7.5 | 112 | D684 E685 | D684-R687 PolarHBondContact O-N 2.93Å; D684-R687 IonicContact OD1-CZ 2.69Å; D684-R687 IonicContact OD1-NH1 3.73Å; D684-R687 PolarHBondContact OD1-NH1 2.8Å; D684-R687 VanDerWaalsContact OD1-NH1 3.15Å; E685-R687 VanDerWaalsContact C-N 3.27Å; E685-R687 PolarHBondContact O-N 3.35Å |
| 688 | L | 35.5 | Very low | 45.9 | Very low | 125 Ų | 125 | 118.9 Ų | 118.9 | 65% | 0.654 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -84.8 | -33.4 | -179.4 | -70.1 | 165.8 | 0 | 0 | 0 | 111.8 | E685 R691 K692 | E685-L688 PolarHBondContact O-N 2.93Å; L688-R691 PolarHBondContact O-N 2.91Å; L688-K692 PolarHBondContact O-N 3.22Å |
| 689 | S | 36.1 | Very low | 42.9 | Very low | 67 Ų | 67 | 123.4 Ų | 123.4 | 47% | 0.469 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -65.8 | -37.2 | 175.3 | 55.2 | 0 | 0 | 0 | 0 | 113 | E685 D686 R691 K692 | E685-S689 PolarHBondContact O-N 2.92Å; E685-S689 PolarHBondContact O-OG 3.33Å; D686-S689 WeakPolarHBondContact CA-OG 3.44Å; D686-S689 PolarHBondContact O-OG 2.92Å; D686-S689 VanDerWaalsContact O-OG 3.14Å; S689-R691 PolarHBondContact O-N 3.46Å; S689-K692 PolarHBondContact O-N 2.84Å |
| 690 | K | 36.9 | Very low | 40.2 | Very low | 177 Ų | 177 | 127.2 Ų | 127.2 | 77% | 0.77 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -17.7 | 173.7 | -76.1 | -177.4 | 179.2 | 176.4 | 0 | 114.8 | ||
| 691 | R | 33.2 | Very low | 37.8 | Very low | 229 Ų | 229 | 134 Ų | 134 | 86% | 0.864 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -10.8 | 175 | -109.3 | -177.7 | -178.4 | 179.9 | 1.2 | 113.6 | L688 S689 S693 | L688-R691 PolarHBondContact O-N 2.91Å; S689-R691 PolarHBondContact O-N 3.46Å; R691-S693 PolarHBondContact O-N 3.35Å |
| 692 | K | 36.1 | Very low | 35.8 | Very low | 146 Ų | 146 | 133.1 Ų | 133.1 | 64% | 0.635 | 68% | 0.682 | S | S | * | * | trans | -96.6 | 60.8 | 173.2 | -77 | -163.1 | 167.9 | -143.3 | 0 | 111.3 | L688 S689 E696 | L688-K692 PolarHBondContact O-N 3.22Å; S689-K692 PolarHBondContact O-N 2.84Å; K692-E696 IonicContact NZ-OE1 3.7Å; K692-E696 IonicContact NZ-OE2 3.94Å; K692-E696 PolarHBondContact NZ-OE2 2.85Å | ||
| 693 | S | 39.4 | Very low | 34.5 | Very low | 96 Ų | 96 | 134.4 Ų | 134.4 | 67% | 0.671 | 69% | 0.694 | S | S | * | * | trans | -144 | 100 | 163.6 | 179 | 0 | 0 | 0 | 0 | 108.1 | R691 | R691-S693 PolarHBondContact O-N 3.35Š| ||
| 694 | I | 36.1 | Very low | 33.4 | Very low | 176 Ų | 176 | 138 Ų | 138 | 90% | 0.903 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 136.3 | 85.2 | 168 | -69.1 | 154.3 | 0 | 0 | 0 | 106.8 | ||
| 695 | G | 34.1 | Very low | 32.8 | Very low | 67 Ų | 67 | 141.4 Ų | 141.4 | 69% | 0.691 | 73% | 0.727 | S | S | * | * | trans | 114.6 | 53.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 696 | E | 27 | Very low | 31.9 | Very low | 162 Ų | 162 | 138.9 Ų | 138.9 | 76% | 0.757 | 73% | 0.727 | S | S | * | * | trans | -127.4 | 80.9 | 152.3 | -83.6 | -177.8 | 165.2 | 0 | 0 | 108.8 | K692 | K692-E696 IonicContact NZ-OE1 3.7Å; K692-E696 IonicContact NZ-OE2 3.94Å; K692-E696 PolarHBondContact NZ-OE2 2.85Å | ||
| 697 | T | 30.8 | Very low | 31.2 | Very low | 128 Ų | 128 | 148 Ų | 148 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | -78.3 | 126.6 | 161.2 | -8.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 698 | I | 35.7 | Very low | 30.6 | Very low | 148 Ų | 148 | 146.3 Ų | 146.3 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | trans | 71.9 | 93.9 | 161.1 | -45.5 | 168.2 | 0 | 0 | 0 | 115.4 | ||||
| 699 | S | 27.5 | Very low | 30 | Very low | 121 Ų | 121 | 146 Ų | 146 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | trans | -148.2 | 71.7 | 142.1 | -75.5 | 0 | 0 | 0 | 0 | 108.7 | Q701 | S699-Q701 VanDerWaalsContact C-N 3.33Å; S699-Q701 PolarHBondContact O-N 3.02Å | ||
| 700 | L | 26.8 | Very low | 30.2 | Very low | 157 Ų | 157 | 148.3 Ų | 148.3 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | -72.3 | 93.3 | 157.4 | -81.5 | 159.4 | 0 | 0 | 0 | 106.8 | V702 | L700-V702 VanDerWaalsContact C-N 3.33Å; L700-V702 PolarHBondContact O-N 3.38Å | ||
| 701 | Q | 27.3 | Very low | 29.7 | Very low | 185 Ų | 185 | 148 Ų | 148 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -74.3 | 98.8 | 154.3 | -83.9 | 179.8 | -23.7 | 0 | 0 | 106.4 | S699 E703 | S699-Q701 VanDerWaalsContact C-N 3.33Å; S699-Q701 PolarHBondContact O-N 3.02Å; Q701-E703 PolarHBondContact O-N 2.88Å; Q701-E703 VanDerWaalsContact O-N 3.11Å | ||
| 702 | V | 25.7 | Very low | 29.4 | Very low | 112 Ų | 112 | 145.2 Ų | 145.2 | 68% | 0.679 | 78% | 0.78 | S | S | * | * | trans | -66.5 | 100.4 | 165.6 | 177.7 | 0 | 0 | 0 | 0 | 106.6 | L700 V704 | L700-V702 VanDerWaalsContact C-N 3.33Å; L700-V702 PolarHBondContact O-N 3.38Å; V702-V704 HydrophobicContact CG1-CG2 3.73Å; V702-V704 PolarHBondContact O-N 3.45Å; V702-V704 VanDerWaalsContact O-N 3.12Å | ||
| 703 | E | 25.8 | Very low | 29.1 | Very low | 186 Ų | 186 | 146.8 Ų | 146.8 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | trans | -71 | 99.4 | 159.1 | -78.5 | -172 | 159.7 | 0 | 0 | 107.2 | Q701 E705 | Q701-E703 PolarHBondContact O-N 2.88Å; Q701-E703 VanDerWaalsContact O-N 3.11Å; E703-E705 PolarHBondContact O-N 3.07Å | ||
| 704 | V | 26.7 | Very low | 28.4 | Very low | 120 Ų | 120 | 151.8 Ų | 151.8 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -69.3 | 108 | 169.7 | 174 | 0 | 0 | 0 | 0 | 107.4 | V702 S706 | V702-V704 HydrophobicContact CG1-CG2 3.73Å; V702-V704 PolarHBondContact O-N 3.45Å; V702-V704 VanDerWaalsContact O-N 3.12Å; V704-S706 PolarHBondContact O-N 3.13Å | ||
| 705 | E | 23.4 | Very low | 28.2 | Very low | 182 Ų | 182 | 155 Ų | 155 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | trans | -59.6 | 103.4 | 162.3 | -76.1 | -176.8 | 157.3 | 0 | 0 | 108.9 | E703 R707 | E703-E705 PolarHBondContact O-N 3.07Å; E705-R707 PolarHBondContact O-N 3.33Å; E705-R707 VanDerWaalsContact O-N 3.09Å | ||
| 706 | S | 25.2 | Very low | 27.8 | Very low | 103 Ų | 103 | 158.4 Ų | 158.4 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | trans | -71.9 | 98.9 | 168.7 | 63.5 | 0 | 0 | 0 | 0 | 109.7 | V704 | V704-S706 PolarHBondContact O-N 3.13Š| ||
| 707 | R | 28.6 | Very low | 28.2 | Very low | 233 Ų | 233 | 156.5 Ų | 156.5 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | trans | -70.8 | 122.8 | 156.7 | -79.5 | 177.9 | 163.3 | -178.7 | -4.4 | 108.2 | E705 | E705-R707 PolarHBondContact O-N 3.33Å; E705-R707 VanDerWaalsContact O-N 3.09Å | ||
| 708 | N | 25.9 | Very low | 28.2 | Very low | 153 Ų | 153 | 155 Ų | 155 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -126.8 | 124 | 161.8 | -84.9 | -15.7 | 0 | 0 | 0 | 111.1 | ||||
| 709 | S | 22.3 | Very low | 28.3 | Very low | 118 Ų | 118 | 156.8 Ų | 156.8 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | -86 | 166.6 | 154.2 | -69 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 710 | P | 40.1 | Very low | 28.8 | Very low | 115 Ų | 115 | 159.5 Ų | 159.5 | 75% | 0.747 | 82% | 0.818 | S | S | * | * | trans | -94.4 | 153.9 | -151.4 | 36.6 | -32.9 | 0 | 0 | 0 | 113.8 | ||||
| 711 | E | 25.9 | Very low | 29.9 | Very low | 171 Ų | 171 | 158.3 Ų | 158.3 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | 171.7 | 135.5 | 127.6 | -95.6 | -176.3 | 159.4 | 0 | 0 | 113.4 | |||||
| 712 | K | 27.7 | Very low | 31.4 | Very low | 170 Ų | 170 | 153.3 Ų | 153.3 | 74% | 0.739 | 79% | 0.793 | S | S | * | * | trans | 52 | 104.5 | 151 | -73.8 | 175.2 | 176.7 | 170.5 | 0 | 119.9 | ||||
| 713 | E | 28.4 | Very low | 32.5 | Very low | 179 Ų | 179 | 156 Ų | 156 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | 78.8 | 106.1 | 95.7 | -94.8 | -172.6 | 164 | 0 | 0 | 114.3 | |||||
| 714 | E | 25.3 | Very low | 33.8 | Very low | 201 Ų | 201 | 154.7 Ų | 154.7 | 94% | 0.939 | 79% | 0.79 | S | S | * | * | -165.1 | 122.3 | 119 | -108.5 | 179.1 | 174.8 | 0 | 0 | 109.6 | |||||
| 715 | R | 32.7 | Very low | 35 | Very low | 245 Ų | 245 | 153 Ų | 153 | 93% | 0.925 | 78% | 0.78 | S | S | * | * | trans | -93.1 | 136.8 | 173.1 | -79 | 177.5 | 169 | 173.1 | -3.1 | 109.1 | ||||
| 716 | T | 26.1 | Very low | 36.3 | Very low | 138 Ų | 138 | 148.9 Ų | 148.9 | 85% | 0.847 | 76% | 0.763 | S | S | * | * | trans | -166.2 | 162.9 | 137 | 49 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 717 | P | 34.6 | Very low | 37.5 | Very low | 121 Ų | 121 | 150.2 Ų | 150.2 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | -106 | 157.7 | -84.9 | 24.3 | -3.8 | 0 | 0 | 0 | 112.5 | E719 | P717-E719 PolarHBondContact O-N 3.44Š| |||
| 718 | A | 31.4 | Very low | 38.6 | Very low | 98 Ų | 98 | 142.3 Ų | 142.3 | 81% | 0.81 | 74% | 0.736 | S | S | * | * | trans | -67.7 | 121.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 719 | E | 36.7 | Very low | 39.8 | Very low | 184 Ų | 184 | 137.8 Ų | 137.8 | 86% | 0.86 | 72% | 0.72 | S | S | * | * | trans | -72.1 | 125.5 | 156.4 | -79.5 | -177.5 | 157 | 0 | 0 | 108.3 | P717 I721 | P717-E719 PolarHBondContact O-N 3.44Å; E719-I721 PolarHBondContact O-N 3.03Å; E719-I721 VanDerWaalsContact O-N 3.16Å | ||
| 720 | E | 37.7 | Very low | 41.4 | Very low | 178 Ų | 178 | 137.4 Ų | 137.4 | 83% | 0.832 | 71% | 0.708 | S | S | * | * | trans | -64.5 | 111.6 | 178.2 | -71.5 | 179.7 | 156.7 | 0 | 0 | 110.3 | T722 | E720-T722 PolarHBondContact O-N 2.86Å; E720-T722 VanDerWaalsContact O-N 3.08Å | ||
| 721 | I | 51 | Low | 42 | Very low | 133 Ų | 133 | 136.4 Ų | 136.4 | 68% | 0.682 | 70% | 0.7 | S | S | * | * | trans | -67.4 | 105.7 | 168.7 | -58 | 172 | 0 | 0 | 0 | 107.3 | E719 L726 | E719-I721 PolarHBondContact O-N 3.03Å; E719-I721 VanDerWaalsContact O-N 3.16Å; I721-L726 HydrophobicContact CG2-CD1 3.78Å; I721-L726 HydrophobicContact CG2-CG 3.93Å | ||
| 722 | T | 59.2 | Low | 43.1 | Very low | 79 Ų | 79 | 133.1 Ų | 133.1 | 49% | 0.485 | 69% | 0.687 | S | S | . | * | trans | -81 | 152.8 | 176.1 | 46.3 | 0 | 0 | 0 | 0 | 110.9 | E720 E724 T725 L726 | E720-T722 PolarHBondContact O-N 2.86Å; E720-T722 VanDerWaalsContact O-N 3.08Å; T722-E724 PolarHBondContact O-N 2.81Å; T722-E724 VanDerWaalsContact O-N 3.12Å; T722-T725 WeakPolarHBondContact O-CB 2.97Å; T722-T725 PolarHBondContact O-N 3.49Å; T722-T725 PolarHBondContact O-OG1 3.23Å; T722-T725 PolarHBondContact OG1-OG1 3.46Å; T722-T725 VanDerWaalsContact OG1-OG1 3.13Å; T722-L726 PolarHBondContact O-N 2.86Å | ||
| 723 | F | 47 | Very low | 44.2 | Very low | 170 Ų | 170 | 128 Ų | 128 | 75% | 0.746 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -56.8 | -28 | -178.2 | -174.8 | -98.5 | 0 | 0 | 0 | 113.1 | K727 | F723-K727 WeakPolarHBondContact O-CB 3.5Å; F723-K727 PolarHBondContact O-N 3.22Å |
| 724 | E | 54.1 | Low | 45.3 | Very low | 158 Ų | 158 | 122 Ų | 122 | 74% | 0.738 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -68.7 | -35.5 | 174 | -81.6 | -165.4 | 147.3 | 0 | 0 | 113.4 | T722 K727 S728 | T722-E724 PolarHBondContact O-N 2.81Å; T722-E724 VanDerWaalsContact O-N 3.12Å; E724-K727 PolarHBondContact O-N 3.19Å; E724-S728 WeakPolarHBondContact O-CB 3.38Å; E724-S728 PolarHBondContact O-N 2.97Å |
| 725 | T | 52.7 | Low | 46.6 | Very low | 83 Ų | 83 | 114.3 Ų | 114.3 | 51% | 0.509 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -67.4 | -39.9 | 178 | -31 | 0 | 0 | 0 | 0 | 111.2 | T722 A729 | T722-T725 WeakPolarHBondContact O-CB 2.97Å; T722-T725 PolarHBondContact O-N 3.49Å; T722-T725 PolarHBondContact O-OG1 3.23Å; T722-T725 PolarHBondContact OG1-OG1 3.46Å; T722-T725 VanDerWaalsContact OG1-OG1 3.13Å; T725-A729 PolarHBondContact O-N 2.97Å; T725-A729 VanDerWaalsContact O-N 3.13Å |
| 726 | L | 49.3 | Very low | 47.7 | Very low | 96 Ų | 96 | 108.9 Ų | 108.9 | 50% | 0.503 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -67.9 | -38.8 | 173.3 | -88.4 | 158.4 | 0 | 0 | 0 | 112.2 | I721 T722 A729 I730 | I721-L726 HydrophobicContact CG2-CD1 3.78Å; I721-L726 HydrophobicContact CG2-CG 3.93Å; T722-L726 PolarHBondContact O-N 2.86Å; L726-A729 PolarHBondContact O-N 3.47Å; L726-I730 WeakPolarHBondContact O-CD1 3.4Å; L726-I730 VanDerWaalsContact O-CG1 3.24Å; L726-I730 WeakPolarHBondContact O-CG1 3.44Å; L726-I730 PolarHBondContact O-N 3.33Å; L726-I730 VanDerWaalsContact O-N 3.1Å |
| 727 | K | 51.5 | Low | 49 | Very low | 132 Ų | 132 | 108.2 Ų | 108.2 | 57% | 0.574 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.9 | -40.2 | 177.8 | -170.7 | 179.1 | 177.5 | -174.6 | 0 | 112.1 | F723 E724 I730 V731 | F723-K727 WeakPolarHBondContact O-CB 3.5Å; F723-K727 PolarHBondContact O-N 3.22Å; E724-K727 PolarHBondContact O-N 3.19Å; K727-I730 PolarHBondContact O-N 2.95Å; K727-V731 VanDerWaalsContact O-CG2 3.25Å; K727-V731 WeakPolarHBondContact O-CG2 3.37Å; K727-V731 PolarHBondContact O-N 2.91Å; K727-V731 VanDerWaalsContact O-N 3.09Å |
| 728 | S | 51 | Low | 50.4 | Low | 66 Ų | 66 | 108.5 Ų | 108.5 | 46% | 0.462 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61.6 | -46.6 | 173.6 | 151.3 | 0 | 0 | 0 | 0 | 111.5 | E724 I730 V731 D732 | E724-S728 WeakPolarHBondContact O-CB 3.38Å; E724-S728 PolarHBondContact O-N 2.97Å; S728-I730 VanDerWaalsContact C-N 3.34Å; S728-I730 PolarHBondContact O-N 2.88Å; S728-V731 PolarHBondContact O-N 3.16Å; S728-D732 WeakPolarHBondContact O-CB 3.47Å; S728-D732 PolarHBondContact O-N 2.97Å |
| 729 | A | 51.3 | Low | 51.7 | Low | 59 Ų | 59 | 110.8 Ų | 110.8 | 49% | 0.488 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.8 | -36.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | T725 L726 S733 | T725-A729 PolarHBondContact O-N 2.97Å; T725-A729 VanDerWaalsContact O-N 3.13Å; L726-A729 PolarHBondContact O-N 3.47Å; A729-S733 VanDerWaalsContact O-CB 3.31Å; A729-S733 WeakPolarHBondContact O-CB 3.36Å; A729-S733 PolarHBondContact O-N 3.34Å |
| 730 | I | 55.4 | Low | 52.7 | Low | 110 Ų | 110 | 105.6 Ų | 105.6 | 56% | 0.564 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -71.2 | -41.8 | 177.7 | -67.2 | 165.8 | 0 | 0 | 0 | 111 | L726 K727 S728 S733 A734 | L726-I730 WeakPolarHBondContact O-CD1 3.4Å; L726-I730 VanDerWaalsContact O-CG1 3.24Å; L726-I730 WeakPolarHBondContact O-CG1 3.44Å; L726-I730 PolarHBondContact O-N 3.33Å; L726-I730 VanDerWaalsContact O-N 3.1Å; K727-I730 PolarHBondContact O-N 2.95Å; S728-I730 VanDerWaalsContact C-N 3.34Å; S728-I730 PolarHBondContact O-N 2.88Å; I730-S733 PolarHBondContact O-N 3.36Å; I730-S733 PolarHBondContact O-OG 3.4Å; I730-A734 PolarHBondContact O-N 3.46Å |
| 731 | V | 52.8 | Low | 54 | Low | 94 Ų | 94 | 104 Ų | 104 | 57% | 0.57 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -68 | -40.7 | 178.7 | 173.7 | 0 | 0 | 0 | 0 | 111.5 | K727 S728 A734 G735 | K727-V731 VanDerWaalsContact O-CG2 3.25Å; K727-V731 WeakPolarHBondContact O-CG2 3.37Å; K727-V731 PolarHBondContact O-N 2.91Å; K727-V731 VanDerWaalsContact O-N 3.09Å; S728-V731 PolarHBondContact O-N 3.16Å; V731-A734 PolarHBondContact O-N 2.97Å; V731-G735 PolarHBondContact O-N 3.32Å |
| 732 | D | 49.5 | Very low | 54.8 | Low | 101 Ų | 101 | 101.8 Ų | 101.8 | 54% | 0.54 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.8 | -30.8 | 175.6 | -78 | -25.2 | 0 | 0 | 0 | 112.6 | S728 M736 | S728-D732 WeakPolarHBondContact O-CB 3.47Å; S728-D732 PolarHBondContact O-N 2.97Å; D732-M736 PolarHBondContact O-N 2.8Å; D732-M736 VanDerWaalsContact O-N 3.09Å |
| 733 | S | 50.5 | Low | 55 | Low | 63 Ų | 63 | 104.5 Ų | 104.5 | 44% | 0.441 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.2 | -39.8 | 175.5 | 78.8 | 0 | 0 | 0 | 0 | 112.7 | A729 I730 M736 E737 | A729-S733 VanDerWaalsContact O-CB 3.31Å; A729-S733 WeakPolarHBondContact O-CB 3.36Å; A729-S733 PolarHBondContact O-N 3.34Å; I730-S733 PolarHBondContact O-N 3.36Å; I730-S733 PolarHBondContact O-OG 3.4Å; S733-M736 PolarHBondContact O-N 3.15Å; S733-E737 WeakPolarHBondContact O-CB 3.46Å; S733-E737 PolarHBondContact O-N 3.06Å |
| 734 | A | 51.2 | Low | 55.7 | Low | 52 Ų | 52 | 104 Ų | 104 | 43% | 0.43 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.2 | -38.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I730 V731 E737 E738 | I730-A734 PolarHBondContact O-N 3.46Å; V731-A734 PolarHBondContact O-N 2.97Å; A734-E737 PolarHBondContact O-N 3.45Å; A734-E738 WeakPolarHBondContact O-CB 3.44Å; A734-E738 PolarHBondContact O-N 2.99Å |
| 735 | G | 53.3 | Low | 56.6 | Low | 41 Ų | 41 | 104.9 Ų | 104.9 | 42% | 0.423 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.9 | -39.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V731 Q739 | V731-G735 PolarHBondContact O-N 3.32Å; G735-Q739 WeakPolarHBondContact O-CB 3.32Å; G735-Q739 PolarHBondContact O-N 3.33Å |
| 736 | M | 54.7 | Low | 57.2 | Low | 131 Ų | 131 | 106.1 Ų | 106.1 | 65% | 0.645 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.5 | -38.4 | 173.4 | -94.4 | -166.7 | -98.1 | 0 | 0 | 112.5 | D732 S733 Q739 E740 | D732-M736 PolarHBondContact O-N 2.8Å; D732-M736 VanDerWaalsContact O-N 3.09Å; S733-M736 PolarHBondContact O-N 3.15Å; M736-Q739 PolarHBondContact O-N 3.39Å; M736-E740 VanDerWaalsContact O-CB 3.29Å; M736-E740 WeakPolarHBondContact O-CB 3.45Å; M736-E740 PolarHBondContact O-N 2.9Å |
| 737 | E | 54.9 | Low | 58.1 | Low | 124 Ų | 124 | 104.6 Ų | 104.6 | 58% | 0.579 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -70 | -37.5 | 179.9 | -147.7 | -178.3 | -175.2 | 0 | 0 | 111.9 | S733 A734 R741 | S733-E737 WeakPolarHBondContact O-CB 3.46Å; S733-E737 PolarHBondContact O-N 3.06Å; A734-E737 PolarHBondContact O-N 3.45Å; E737-R741 VanDerWaalsContact O-CB 3.23Å; E737-R741 WeakPolarHBondContact O-CB 3.39Å; E737-R741 PolarHBondContact O-N 2.78Å |
| 738 | E | 62.6 | Low | 58.9 | Low | 126 Ų | 126 | 102 Ų | 102 | 59% | 0.589 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.9 | -44.1 | 172.4 | -161.7 | 88.3 | -143.7 | 0 | 0 | 111.1 | A734 R741 E742 | A734-E738 WeakPolarHBondContact O-CB 3.44Å; A734-E738 PolarHBondContact O-N 2.99Å; E738-R741 PolarHBondContact O-N 2.76Å; E738-E742 WeakPolarHBondContact O-CB 3.36Å; E738-E742 PolarHBondContact O-N 3.41Å |
| 739 | Q | 59.6 | Low | 59.8 | Low | 146 Ų | 146 | 103.2 Ų | 103.2 | 68% | 0.682 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.9 | -41.1 | 174.9 | -98.2 | -175.5 | -8.1 | 0 | 0 | 112.6 | G735 M736 E742 R743 | G735-Q739 WeakPolarHBondContact O-CB 3.32Å; G735-Q739 PolarHBondContact O-N 3.33Å; M736-Q739 PolarHBondContact O-N 3.39Å; Q739-E742 PolarHBondContact O-N 2.85Å; Q739-R743 WeakPolarHBondContact O-CB 3.35Å; Q739-R743 PolarHBondContact O-N 2.98Å |
| 740 | E | 57.4 | Low | 60.5 | Low | 76 Ų | 76 | 105.6 Ų | 105.6 | 36% | 0.355 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70.4 | -35.6 | 177.7 | -178.8 | 59.8 | -158.3 | 0 | 0 | 111 | M736 R743 R744 | M736-E740 VanDerWaalsContact O-CB 3.29Å; M736-E740 WeakPolarHBondContact O-CB 3.45Å; M736-E740 PolarHBondContact O-N 2.9Å; E740-R743 IonicContact OE2-NE 2.93Å; E740-R744 WeakPolarHBondContact O-CB 3.47Å; E740-R744 WeakPolarHBondContact O-CG 3.27Å; E740-R744 PolarHBondContact O-N 2.84Å; E740-R744 IonicContact OE1-CZ 2.98Å; E740-R744 IonicContact OE1-NE 3.74Å; E740-R744 PolarHBondContact OE1-NE 3.29Å; E740-R744 IonicContact OE1-NH2 2.72Å; E740-R744 PolarHBondContact OE1-NH2 3.01Å |
| 741 | R | 65.8 | Low | 60.8 | Low | 144 Ų | 144 | 106.2 Ų | 106.2 | 54% | 0.543 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.8 | -43.1 | 173.8 | -168.2 | -178 | -68.6 | 153.4 | -0.2 | 111.5 | E737 E738 R744 R745 | E737-R741 VanDerWaalsContact O-CB 3.23Å; E737-R741 WeakPolarHBondContact O-CB 3.39Å; E737-R741 PolarHBondContact O-N 2.78Å; E738-R741 PolarHBondContact O-N 2.76Å; R741-R744 PolarHBondContact O-N 3.46Å; R741-R745 WeakPolarHBondContact O-CB 3.38Å; R741-R745 PolarHBondContact O-N 2.93Å |
| 742 | E | 66.3 | Low | 61.2 | Low | 86 Ų | 86 | 109 Ų | 109 | 40% | 0.402 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67 | -41.2 | 175.8 | -176 | 52.7 | -146.6 | 0 | 0 | 111.3 | E738 Q739 R744 R745 Q746 | E738-E742 WeakPolarHBondContact O-CB 3.36Å; E738-E742 PolarHBondContact O-N 3.41Å; Q739-E742 PolarHBondContact O-N 2.85Å; E742-R744 PolarHBondContact O-N 3.07Å; E742-R745 WeakPolarHBondContact O-CB 3.45Å; E742-R745 PolarHBondContact O-N 3.37Å; E742-Q746 WeakPolarHBondContact O-CG 3.25Å; E742-Q746 PolarHBondContact O-N 3.34Å; E742-Q746 PolarHBondContact OE1-NE2 3.3Å |
| 743 | R | 64.1 | Low | 62.3 | Low | 136 Ų | 136 | 111.4 Ų | 111.4 | 51% | 0.513 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61 | -44 | 172.2 | -179 | -172 | 148.8 | 88.9 | -1.1 | 111.8 | Q739 E740 R745 Q746 V747 | Q739-R743 WeakPolarHBondContact O-CB 3.35Å; Q739-R743 PolarHBondContact O-N 2.98Å; E740-R743 IonicContact OE2-NE 2.93Å; R743-R745 VanDerWaalsContact C-N 3.32Å; R743-R745 PolarHBondContact O-N 3.37Å; R743-Q746 PolarHBondContact O-N 3.42Å; R743-V747 VanDerWaalsContact O-CG2 3.24Å; R743-V747 WeakPolarHBondContact O-CG2 3.49Å; R743-V747 PolarHBondContact O-N 3.45Å |
| 744 | R | 62.5 | Low | 63.2 | Low | 160 Ų | 160 | 109.4 Ų | 109.4 | 60% | 0.604 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.8 | -39.8 | 175.1 | -75.9 | 171 | -172.6 | -169.1 | 3.8 | 111.3 | E740 R741 E742 V747 V748 | E740-R744 WeakPolarHBondContact O-CB 3.47Å; E740-R744 WeakPolarHBondContact O-CG 3.27Å; E740-R744 PolarHBondContact O-N 2.84Å; E740-R744 IonicContact OE1-CZ 2.98Å; E740-R744 IonicContact OE1-NE 3.74Å; E740-R744 PolarHBondContact OE1-NE 3.29Å; E740-R744 IonicContact OE1-NH2 2.72Å; E740-R744 PolarHBondContact OE1-NH2 3.01Å; R741-R744 PolarHBondContact O-N 3.46Å; E742-R744 PolarHBondContact O-N 3.07Å; R744-V747 PolarHBondContact O-N 2.89Å; R744-V748 VanDerWaalsContact O-CG2 3.27Å; R744-V748 WeakPolarHBondContact O-CG2 3.38Å; R744-V748 PolarHBondContact O-N 2.89Å |
| 745 | R | 71.8 | Confident | 64.2 | Low | 176 Ų | 176 | 110.7 Ų | 110.7 | 66% | 0.664 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.3 | -45.4 | 176.2 | -161.8 | -180 | -173.6 | -175.6 | 1.8 | 111.9 | R741 E742 R743 V747 V748 E749 | R741-R745 WeakPolarHBondContact O-CB 3.38Å; R741-R745 PolarHBondContact O-N 2.93Å; E742-R745 WeakPolarHBondContact O-CB 3.45Å; E742-R745 PolarHBondContact O-N 3.37Å; R743-R745 VanDerWaalsContact C-N 3.32Å; R743-R745 PolarHBondContact O-N 3.37Å; R745-V747 VanDerWaalsContact C-N 3.34Å; R745-V747 PolarHBondContact O-N 3.07Å; R745-V748 PolarHBondContact O-N 3.29Å; R745-E749 WeakPolarHBondContact O-CB 3.31Å; R745-E749 PolarHBondContact O-N 3.12Å |
| 746 | Q | 66.5 | Low | 64.7 | Low | 109 Ų | 109 | 116.2 Ų | 116.2 | 51% | 0.509 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.8 | -37.9 | 175.8 | -71.3 | 173.7 | 18.8 | 0 | 0 | 112.5 | E742 R743 K750 | E742-Q746 WeakPolarHBondContact O-CG 3.25Å; E742-Q746 PolarHBondContact O-N 3.34Å; E742-Q746 PolarHBondContact OE1-NE2 3.3Å; R743-Q746 PolarHBondContact O-N 3.42Å; Q746-K750 VanDerWaalsContact O-CB 3.26Å; Q746-K750 WeakPolarHBondContact O-CB 3.4Å; Q746-K750 PolarHBondContact O-N 2.92Å |
| 747 | V | 66.5 | Low | 65.6 | Low | 64 Ų | 64 | 116.9 Ų | 116.9 | 39% | 0.388 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.7 | -47.5 | 174.4 | 171.1 | 0 | 0 | 0 | 0 | 110.4 | R743 R744 R745 E749 K750 F751 | R743-V747 VanDerWaalsContact O-CG2 3.24Å; R743-V747 WeakPolarHBondContact O-CG2 3.49Å; R743-V747 PolarHBondContact O-N 3.45Å; R744-V747 PolarHBondContact O-N 2.89Å; R745-V747 VanDerWaalsContact C-N 3.34Å; R745-V747 PolarHBondContact O-N 3.07Å; V747-E749 PolarHBondContact O-N 3.31Å; V747-K750 PolarHBondContact O-N 2.89Å; V747-F751 HydrophobicContact CG1-CD2 3.79Å; V747-F751 HydrophobicContact CG1-CE2 3.87Å; V747-F751 VanDerWaalsContact O-CD2 3.31Å; V747-F751 WeakPolarHBondContact O-CD2 3.49Å; V747-F751 PolarHBondContact O-N 3.18Å |
| 748 | V | 68.2 | Low | 66.4 | Low | 78 Ų | 78 | 115.6 Ų | 115.6 | 47% | 0.473 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 178.6 | 171.1 | 0 | 0 | 0 | 0 | 111.4 | R744 R745 K750 F751 Q752 | R744-V748 VanDerWaalsContact O-CG2 3.27Å; R744-V748 WeakPolarHBondContact O-CG2 3.38Å; R744-V748 PolarHBondContact O-N 2.89Å; R745-V748 PolarHBondContact O-N 3.29Å; V748-K750 VanDerWaalsContact C-N 3.33Å; V748-K750 PolarHBondContact O-N 3.29Å; V748-F751 PolarHBondContact O-N 3.3Å; V748-Q752 WeakPolarHBondContact O-CG 3.31Å; V748-Q752 PolarHBondContact O-N 2.79Å |
| 749 | E | 69.9 | Low | 66.8 | Low | 91 Ų | 91 | 111.2 Ų | 111.2 | 43% | 0.425 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.3 | -40.3 | 176.8 | -174.3 | 172.8 | -164.5 | 0 | 0 | 111.7 | R745 V747 Q752 K753 | R745-E749 WeakPolarHBondContact O-CB 3.31Å; R745-E749 PolarHBondContact O-N 3.12Å; V747-E749 PolarHBondContact O-N 3.31Å; E749-Q752 PolarHBondContact O-N 3.22Å; E749-K753 HydrophobicContact CG-CD 3.89Å; E749-K753 HydrophobicContact CG-CG 4.47Å; E749-K753 WeakPolarHBondContact O-CB 3.33Å; E749-K753 PolarHBondContact O-N 2.96Å; E749-K753 IonicContact OE1-NZ 3.18Å; E749-K753 PolarHBondContact OE1-NZ 3.28Å |
| 750 | K | 67.3 | Low | 67.2 | Low | 110 Ų | 110 | 106.5 Ų | 106.5 | 48% | 0.478 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.6 | -40.2 | 176.3 | -165.2 | 171.9 | -174.5 | 176.5 | 0 | 112.1 | Q746 V747 V748 Q752 A754 | Q746-K750 VanDerWaalsContact O-CB 3.26Å; Q746-K750 WeakPolarHBondContact O-CB 3.4Å; Q746-K750 PolarHBondContact O-N 2.92Å; V747-K750 PolarHBondContact O-N 2.89Å; V748-K750 VanDerWaalsContact C-N 3.33Å; V748-K750 PolarHBondContact O-N 3.29Å; K750-Q752 VanDerWaalsContact C-N 3.29Å; K750-Q752 PolarHBondContact O-N 2.69Å; K750-A754 HydrophobicContact CG-CB 4.28Å; K750-A754 WeakPolarHBondContact O-CB 3.27Å; K750-A754 PolarHBondContact O-N 3Å |
| 751 | F | 62 | Low | 68 | Low | 123 Ų | 123 | 106 Ų | 106 | 54% | 0.539 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.3 | -22.9 | 175 | -88.8 | -82.7 | 0 | 0 | 0 | 113.7 | V747 V748 I759 | V747-F751 HydrophobicContact CG1-CD2 3.79Å; V747-F751 HydrophobicContact CG1-CE2 3.87Å; V747-F751 VanDerWaalsContact O-CD2 3.31Å; V747-F751 WeakPolarHBondContact O-CD2 3.49Å; V747-F751 PolarHBondContact O-N 3.18Å; V748-F751 PolarHBondContact O-N 3.3Å; F751-I759 HydrophobicContact CD1-CD1 4.06Å; F751-I759 HydrophobicContact CD1-CG2 3.91Å; F751-I759 HydrophobicContact CE1-CG2 3.39Å; F751-I759 HydrophobicContact CZ-CG2 4.13Å |
| 752 | Q | 61.6 | Low | 68.2 | Low | 152 Ų | 152 | 103.3 Ų | 103.3 | 71% | 0.71 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -87.1 | -29.4 | 177.1 | -74.9 | -179.8 | -0.8 | 0 | 0 | 113.6 | V748 E749 K750 | V748-Q752 WeakPolarHBondContact O-CG 3.31Å; V748-Q752 PolarHBondContact O-N 2.79Å; E749-Q752 PolarHBondContact O-N 3.22Å; K750-Q752 VanDerWaalsContact C-N 3.29Å; K750-Q752 PolarHBondContact O-N 2.69Å |
| 753 | K | 70.7 | Confident | 68.2 | Low | 151 Ų | 151 | 102.3 Ų | 102.3 | 66% | 0.657 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -111 | -20.3 | -172.2 | -64.8 | -176.6 | -179.8 | 174.5 | 0 | 115.1 | E749 | E749-K753 HydrophobicContact CG-CD 3.89Å; E749-K753 HydrophobicContact CG-CG 4.47Å; E749-K753 WeakPolarHBondContact O-CB 3.33Å; E749-K753 PolarHBondContact O-N 2.96Å; E749-K753 IonicContact OE1-NZ 3.18Å; E749-K753 PolarHBondContact OE1-NZ 3.28Å |
| 754 | A | 69.3 | Low | 68.6 | Low | 22 Ų | 22 | 97.4 Ų | 97.4 | 18% | 0.182 | 49% | 0.488 | C | S | . | . | S | Bend | trans | -81.6 | 142.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K750 I759 | K750-A754 HydrophobicContact CG-CB 4.28Å; K750-A754 WeakPolarHBondContact O-CB 3.27Å; K750-A754 PolarHBondContact O-N 3Å; A754-I759 HydrophobicContact CB-CD1 4.28Å; A754-I759 HydrophobicContact CB-CG1 4.06Å |
| 755 | P | 72.7 | Confident | 69.1 | Low | 78 Ų | 78 | 92.8 Ų | 92.8 | 51% | 0.506 | 48% | 0.484 | S | S | . | . | trans | -63.7 | 148.4 | 174 | 24.7 | -30.6 | 0 | 0 | 0 | 111.4 | E757 E758 I759 | P755-E757 VanDerWaalsContact C-N 3.3Å; P755-E757 PolarHBondContact O-N 2.86Å; P755-E758 HydrophobicContact CG-CB 4.31Å; P755-E758 WeakPolarHBondContact O-CB 3.5Å; P755-E758 PolarHBondContact O-N 3.31Å; P755-I759 PolarHBondContact O-N 3.42Å | ||
| 756 | F | 64.1 | Low | 69 | Low | 157 Ų | 157 | 91.3 Ų | 91.3 | 69% | 0.689 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -58.2 | -38.1 | -171.2 | 179.5 | -100.4 | 0 | 0 | 0 | 113.2 | E758 I759 A760 | F756-E758 VanDerWaalsContact C-N 3.26Å; F756-E758 PolarHBondContact O-N 3.33Å; F756-I759 PolarHBondContact O-N 3.18Å; F756-A760 WeakPolarHBondContact O-CB 3.45Å; F756-A760 PolarHBondContact O-N 3.15Å |
| 757 | E | 73.9 | Confident | 69 | Low | 145 Ų | 145 | 89 Ų | 89 | 68% | 0.678 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -58.4 | -35.5 | 176.2 | -76.5 | 81.3 | -171.1 | 0 | 0 | 113.1 | P755 A761 | P755-E757 VanDerWaalsContact C-N 3.3Å; P755-E757 PolarHBondContact O-N 2.86Å; E757-A761 VanDerWaalsContact O-CB 3.3Å; E757-A761 WeakPolarHBondContact O-CB 3.42Å; E757-A761 PolarHBondContact O-N 3.17Å |
| 758 | E | 71.1 | Confident | 69.4 | Low | 98 Ų | 98 | 89.7 Ų | 89.7 | 46% | 0.458 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -73.3 | -38.8 | -179.5 | -160.8 | -169.7 | 154.1 | 0 | 0 | 111.3 | P755 F756 H762 | P755-E758 HydrophobicContact CG-CB 4.31Å; P755-E758 WeakPolarHBondContact O-CB 3.5Å; P755-E758 PolarHBondContact O-N 3.31Å; F756-E758 VanDerWaalsContact C-N 3.26Å; F756-E758 PolarHBondContact O-N 3.33Å; E758-H762 WeakPolarHBondContact O-CB 3.47Å; E758-H762 PolarHBondContact O-N 3.12Å |
| 759 | I | 70.6 | Confident | 69.7 | Low | 34 Ų | 34 | 91.9 Ų | 91.9 | 17% | 0.174 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -66.5 | -43.7 | 175.7 | -61.1 | 174.7 | 0 | 0 | 0 | 110.1 | F751 A754 P755 F756 H762 C763 | F751-I759 HydrophobicContact CD1-CD1 4.06Å; F751-I759 HydrophobicContact CD1-CG2 3.91Å; F751-I759 HydrophobicContact CE1-CG2 3.39Å; F751-I759 HydrophobicContact CZ-CG2 4.13Å; A754-I759 HydrophobicContact CB-CD1 4.28Å; A754-I759 HydrophobicContact CB-CG1 4.06Å; P755-I759 PolarHBondContact O-N 3.42Å; F756-I759 PolarHBondContact O-N 3.18Å; I759-H762 PolarHBondContact O-N 3.39Å; I759-C763 WeakPolarHBondContact O-CB 3.07Å; I759-C763 PolarHBondContact O-N 3.11Å; I759-C763 PolarHBondContact O-SG 2.85Å |
| 760 | A | 69.3 | Low | 69.5 | Low | 47 Ų | 47 | 93 Ų | 93 | 39% | 0.388 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | F756 H762 C763 G764 | F756-A760 WeakPolarHBondContact O-CB 3.45Å; F756-A760 PolarHBondContact O-N 3.15Å; A760-H762 PolarHBondContact O-N 3.26Å; A760-C763 PolarHBondContact O-N 3.49Å; A760-G764 PolarHBondContact O-N 3.47Å |
| 761 | A | 73.1 | Confident | 69.7 | Low | 65 Ų | 65 | 92.7 Ų | 92.7 | 54% | 0.537 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.9 | -40.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E757 G764 A765 | E757-A761 VanDerWaalsContact O-CB 3.3Å; E757-A761 WeakPolarHBondContact O-CB 3.42Å; E757-A761 PolarHBondContact O-N 3.17Å; A761-G764 PolarHBondContact O-N 3.36Å; A761-A765 WeakPolarHBondContact O-CB 3.5Å; A761-A765 PolarHBondContact O-N 2.97Å |
| 762 | H | 71.1 | Confident | 70.4 | Confident | 87 Ų | 87 | 91.4 Ų | 91.4 | 40% | 0.403 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.2 | -39.7 | 177.9 | -176.3 | -89.2 | 0 | 0 | 0 | 112.8 | E758 I759 A760 A765 R766 | E758-H762 WeakPolarHBondContact O-CB 3.47Å; E758-H762 PolarHBondContact O-N 3.12Å; I759-H762 PolarHBondContact O-N 3.39Å; A760-H762 PolarHBondContact O-N 3.26Å; H762-A765 PolarHBondContact O-N 2.85Å; H762-R766 PolarHBondContact O-N 3.22Å; H762-R766 VanDerWaalsContact O-N 3.1Å |
| 763 | C | 65.6 | Low | 70.8 | Confident | 65 Ų | 65 | 90 Ų | 90 | 44% | 0.439 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66 | -40.6 | 172.7 | -74.6 | 0 | 0 | 0 | 0 | 111.8 | I759 A760 R766 A767 | I759-C763 WeakPolarHBondContact O-CB 3.07Å; I759-C763 PolarHBondContact O-N 3.11Å; I759-C763 PolarHBondContact O-SG 2.85Å; A760-C763 PolarHBondContact O-N 3.49Å; C763-R766 PolarHBondContact O-N 3.44Å; C763-A767 PolarHBondContact O-N 3.48Å |
| 764 | G | 73.1 | Confident | 70.6 | Confident | 34 Ų | 34 | 86 Ų | 86 | 35% | 0.351 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -57.8 | -50.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A760 A761 R766 A767 T768 | A760-G764 PolarHBondContact O-N 3.47Å; A761-G764 PolarHBondContact O-N 3.36Å; G764-R766 VanDerWaalsContact C-N 3.33Å; G764-R766 PolarHBondContact O-N 2.9Å; G764-A767 PolarHBondContact O-N 3.38Å; G764-A767 VanDerWaalsContact O-N 3.16Å; G764-T768 PolarHBondContact O-N 3.31Å; G764-T768 PolarHBondContact O-OG1 2.99Å |
| 765 | A | 72.6 | Confident | 70.7 | Confident | 62 Ų | 62 | 88.5 Ų | 88.5 | 51% | 0.512 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.4 | -38.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A761 H762 T768 M769 | A761-A765 WeakPolarHBondContact O-CB 3.5Å; A761-A765 PolarHBondContact O-N 2.97Å; H762-A765 PolarHBondContact O-N 2.85Å; A765-T768 PolarHBondContact O-N 3.37Å; A765-M769 WeakPolarHBondContact O-CB 3.35Å; A765-M769 PolarHBondContact O-N 3.44Å |
| 766 | R | 69 | Low | 70.5 | Confident | 146 Ų | 146 | 91 Ų | 91 | 55% | 0.551 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.2 | -40.3 | 174.6 | -87.4 | -174.7 | 170.2 | -179.6 | -0.3 | 112.8 | H762 C763 G764 T768 M769 L770 | H762-R766 PolarHBondContact O-N 3.22Å; H762-R766 VanDerWaalsContact O-N 3.1Å; C763-R766 PolarHBondContact O-N 3.44Å; G764-R766 VanDerWaalsContact C-N 3.33Å; G764-R766 PolarHBondContact O-N 2.9Å; R766-T768 VanDerWaalsContact C-N 3.34Å; R766-M769 PolarHBondContact O-N 3.34Å; R766-L770 WeakPolarHBondContact O-CB 3.22Å; R766-L770 PolarHBondContact O-N 2.75Å |
| 767 | A | 67.9 | Low | 70.6 | Confident | 59 Ų | 59 | 88.1 Ų | 88.1 | 49% | 0.488 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | C763 G764 M769 L770 Q771 | C763-A767 PolarHBondContact O-N 3.48Å; G764-A767 PolarHBondContact O-N 3.38Å; G764-A767 VanDerWaalsContact O-N 3.16Å; A767-M769 VanDerWaalsContact C-N 3.35Å; A767-M769 PolarHBondContact O-N 3.47Å; A767-L770 PolarHBondContact O-N 3.11Å; A767-Q771 WeakPolarHBondContact O-CB 3.36Å; A767-Q771 PolarHBondContact O-N 2.99Å |
| 768 | T | 75.4 | Confident | 70 | Confident | 80 Ų | 80 | 86.5 Ų | 86.5 | 49% | 0.491 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.4 | -39 | 175.7 | -36.4 | 0 | 0 | 0 | 0 | 111.9 | G764 A765 R766 Q771 N772 | G764-T768 PolarHBondContact O-N 3.31Å; G764-T768 PolarHBondContact O-OG1 2.99Å; A765-T768 PolarHBondContact O-N 3.37Å; R766-T768 VanDerWaalsContact C-N 3.34Å; T768-Q771 PolarHBondContact O-N 3.45Å; T768-N772 WeakPolarHBondContact O-CB 3.37Å; T768-N772 PolarHBondContact O-N 2.98Å; T768-N772 PolarHBondContact O-ND2 2.66Å |
| 769 | M | 73.4 | Confident | 69.6 | Low | 124 Ų | 124 | 87.7 Ų | 87.7 | 61% | 0.611 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -66.5 | -40.9 | 176.5 | -167.7 | -175.8 | -172.6 | 0 | 0 | 112.2 | A765 R766 A767 N772 K773 | A765-M769 WeakPolarHBondContact O-CB 3.35Å; A765-M769 PolarHBondContact O-N 3.44Å; R766-M769 PolarHBondContact O-N 3.34Å; A767-M769 VanDerWaalsContact C-N 3.35Å; A767-M769 PolarHBondContact O-N 3.47Å; M769-N772 PolarHBondContact O-N 3.37Å; M769-K773 PolarHBondContact O-N 3.11Å |
| 770 | L | 66.3 | Low | 69.1 | Low | 114 Ų | 114 | 92.3 Ų | 92.3 | 60% | 0.597 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.7 | -44.6 | 175.2 | -174.7 | 71.4 | 0 | 0 | 0 | 110.8 | R766 A767 N772 K773 L774 | R766-L770 WeakPolarHBondContact O-CB 3.22Å; R766-L770 PolarHBondContact O-N 2.75Å; A767-L770 PolarHBondContact O-N 3.11Å; L770-N772 VanDerWaalsContact C-N 3.33Å; L770-N772 PolarHBondContact O-N 2.94Å; L770-K773 PolarHBondContact O-N 3.01Å; L770-L774 HydrophobicContact CG-CD1 4.24Å; L770-L774 WeakPolarHBondContact O-CB 3.29Å; L770-L774 PolarHBondContact O-N 2.93Å |
| 771 | Q | 71.1 | Confident | 68.2 | Low | 103 Ų | 103 | 95 Ų | 95 | 48% | 0.481 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 176.9 | -166.6 | 64.7 | 31.8 | 0 | 0 | 111.4 | A767 T768 L774 N775 | A767-Q771 WeakPolarHBondContact O-CB 3.36Å; A767-Q771 PolarHBondContact O-N 2.99Å; T768-Q771 PolarHBondContact O-N 3.45Å; Q771-L774 PolarHBondContact O-N 3.02Å; Q771-N775 WeakPolarHBondContact O-CB 3.5Å; Q771-N775 PolarHBondContact O-N 3.38Å; Q771-N775 PolarHBondContact O-ND2 3.17Å; Q771-N775 PolarHBondContact O-OD1 3.44Å |
| 772 | N | 76.2 | Confident | 67.1 | Low | 96 Ų | 96 | 98.2 Ų | 98.2 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65 | -38.9 | 175.8 | -73.7 | -17.4 | 0 | 0 | 0 | 112.2 | T768 M769 L770 N775 Q776 | T768-N772 WeakPolarHBondContact O-CB 3.37Å; T768-N772 PolarHBondContact O-N 2.98Å; T768-N772 PolarHBondContact O-ND2 2.66Å; M769-N772 PolarHBondContact O-N 3.37Å; L770-N772 VanDerWaalsContact C-N 3.33Å; L770-N772 PolarHBondContact O-N 2.94Å; N772-N775 PolarHBondContact O-N 3.37Å; N772-Q776 PolarHBondContact O-N 3.34Å |
| 773 | K | 69.8 | Low | 65.7 | Low | 124 Ų | 124 | 103.1 Ų | 103.1 | 54% | 0.539 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.7 | -41.5 | 173.7 | -81.2 | -155.6 | 174.5 | -165.8 | 0 | 112.5 | M769 L770 N775 Q776 I777 | M769-K773 PolarHBondContact O-N 3.11Å; L770-K773 PolarHBondContact O-N 3.01Å; K773-N775 VanDerWaalsContact C-N 3.34Å; K773-Q776 WeakPolarHBondContact O-CB 3.45Å; K773-Q776 PolarHBondContact O-N 2.98Å; K773-I777 VanDerWaalsContact O-CG1 3.27Å; K773-I777 WeakPolarHBondContact O-CG1 3.2Å; K773-I777 PolarHBondContact O-N 3.39Å |
| 774 | L | 67.8 | Low | 64.7 | Low | 66 Ų | 66 | 105.3 Ų | 105.3 | 35% | 0.346 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 174.1 | -98.7 | 154 | 0 | 0 | 0 | 111.1 | L770 Q771 Q776 I777 F778 | L770-L774 HydrophobicContact CG-CD1 4.24Å; L770-L774 WeakPolarHBondContact O-CB 3.29Å; L770-L774 PolarHBondContact O-N 2.93Å; Q771-L774 PolarHBondContact O-N 3.02Å; L774-Q776 VanDerWaalsContact C-N 3.35Å; L774-Q776 PolarHBondContact O-N 3.41Å; L774-I777 PolarHBondContact O-N 2.91Å; L774-F778 HydrophobicContact CB-CD2 4.48Å; L774-F778 HydrophobicContact CB-CE2 4.38Å; L774-F778 HydrophobicContact CD2-CD2 4.3Å; L774-F778 HydrophobicContact CD2-CE2 3.56Å; L774-F778 HydrophobicContact CD2-CZ 4.08Å; L774-F778 WeakPolarHBondContact O-CD2 3.18Å; L774-F778 WeakPolarHBondContact O-CG 3.29Å; L774-F778 PolarHBondContact O-N 2.98Å |
| 775 | N | 70.9 | Confident | 63.1 | Low | 75 Ų | 75 | 108.8 Ų | 108.8 | 40% | 0.401 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64 | -38.3 | 176.2 | -69.7 | -13.8 | 0 | 0 | 0 | 112.1 | Q771 N772 K773 F778 E779 | Q771-N775 WeakPolarHBondContact O-CB 3.5Å; Q771-N775 PolarHBondContact O-N 3.38Å; Q771-N775 PolarHBondContact O-ND2 3.17Å; Q771-N775 PolarHBondContact O-OD1 3.44Å; N772-N775 PolarHBondContact O-N 3.37Å; K773-N775 VanDerWaalsContact C-N 3.34Å; N775-F778 PolarHBondContact O-N 2.63Å; N775-E779 WeakPolarHBondContact O-CB 3.43Å; N775-E779 PolarHBondContact O-N 2.94Å |
| 776 | Q | 68 | Low | 61.5 | Low | 130 Ų | 130 | 111.9 Ų | 111.9 | 61% | 0.607 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.8 | -42.2 | 171.4 | -98.7 | -177.7 | -4.5 | 0 | 0 | 112.3 | N772 K773 L774 E779 I780 | N772-Q776 PolarHBondContact O-N 3.34Å; K773-Q776 WeakPolarHBondContact O-CB 3.45Å; K773-Q776 PolarHBondContact O-N 2.98Å; L774-Q776 VanDerWaalsContact C-N 3.35Å; L774-Q776 PolarHBondContact O-N 3.41Å; Q776-E779 PolarHBondContact O-N 3.41Å; Q776-I780 WeakPolarHBondContact O-CD1 3.42Å; Q776-I780 WeakPolarHBondContact O-CG1 3.38Å; Q776-I780 PolarHBondContact O-N 3.24Å |
| 777 | I | 66.9 | Low | 59.8 | Low | 97 Ų | 97 | 110.3 Ų | 110.3 | 50% | 0.497 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65.2 | -43.1 | 177.6 | -69 | 165.4 | 0 | 0 | 0 | 109.9 | K773 L774 I780 T781 | K773-I777 VanDerWaalsContact O-CG1 3.27Å; K773-I777 WeakPolarHBondContact O-CG1 3.2Å; K773-I777 PolarHBondContact O-N 3.39Å; L774-I777 PolarHBondContact O-N 2.91Å; I777-I780 PolarHBondContact O-N 3.01Å; I777-T781 WeakPolarHBondContact O-CB 3.38Å; I777-T781 PolarHBondContact O-N 3.41Å; I777-T781 PolarHBondContact O-OG1 3.42Å |
| 778 | F | 60.3 | Low | 58.3 | Low | 111 Ų | 111 | 113.3 Ų | 113.3 | 49% | 0.487 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.3 | -40.7 | 175.9 | -74.9 | -56.8 | 0 | 0 | 0 | 112.5 | L774 N775 I780 T781 I782 | L774-F778 HydrophobicContact CB-CD2 4.48Å; L774-F778 HydrophobicContact CB-CE2 4.38Å; L774-F778 HydrophobicContact CD2-CD2 4.3Å; L774-F778 HydrophobicContact CD2-CE2 3.56Å; L774-F778 HydrophobicContact CD2-CZ 4.08Å; L774-F778 WeakPolarHBondContact O-CD2 3.18Å; L774-F778 WeakPolarHBondContact O-CG 3.29Å; L774-F778 PolarHBondContact O-N 2.98Å; N775-F778 PolarHBondContact O-N 2.63Å; F778-I780 VanDerWaalsContact C-N 3.31Å; F778-I780 PolarHBondContact O-N 3.19Å; F778-T781 PolarHBondContact O-N 2.89Å; F778-I782 HydrophobicContact CB-CD1 4.31Å; F778-I782 WeakPolarHBondContact O-CB 3.39Å; F778-I782 WeakPolarHBondContact O-CD1 3.44Å; F778-I782 WeakPolarHBondContact O-CG1 3.08Å; F778-I782 PolarHBondContact O-N 2.83Å |
| 779 | E | 64.2 | Low | 56.3 | Low | 123 Ų | 123 | 115.2 Ų | 115.2 | 58% | 0.575 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -60 | -38.3 | 172.7 | -88.3 | -84.1 | 149.7 | 0 | 0 | 112.5 | N775 Q776 R783 | N775-E779 WeakPolarHBondContact O-CB 3.43Å; N775-E779 PolarHBondContact O-N 2.94Å; Q776-E779 PolarHBondContact O-N 3.41Å; E779-R783 IonicContact OE2-NH2 4Å |
| 780 | I | 60.2 | Low | 54.3 | Low | 131 Ų | 131 | 112.7 Ų | 112.7 | 67% | 0.672 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -72.3 | -32.5 | 177 | -66.9 | 163.7 | 0 | 0 | 0 | 111.4 | Q776 I777 F778 | Q776-I780 WeakPolarHBondContact O-CD1 3.42Å; Q776-I780 WeakPolarHBondContact O-CG1 3.38Å; Q776-I780 PolarHBondContact O-N 3.24Å; I777-I780 PolarHBondContact O-N 3.01Å; F778-I780 VanDerWaalsContact C-N 3.31Å; F778-I780 PolarHBondContact O-N 3.19Å |
| 781 | T | 49.9 | Very low | 52.5 | Low | 103 Ų | 103 | 113.4 Ų | 113.4 | 63% | 0.632 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -86.2 | -21 | -175.2 | -42.9 | 0 | 0 | 0 | 0 | 112.9 | I777 F778 | I777-T781 WeakPolarHBondContact O-CB 3.38Å; I777-T781 PolarHBondContact O-N 3.41Å; I777-T781 PolarHBondContact O-OG1 3.42Å; F778-T781 PolarHBondContact O-N 2.89Å |
| 782 | I | 49.9 | Very low | 50.6 | Low | 132 Ų | 132 | 115.9 Ų | 115.9 | 68% | 0.677 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -92.8 | -8.5 | -177 | -64.6 | 167.2 | 0 | 0 | 0 | 113 | F778 P784 | F778-I782 HydrophobicContact CB-CD1 4.31Å; F778-I782 WeakPolarHBondContact O-CB 3.39Å; F778-I782 WeakPolarHBondContact O-CD1 3.44Å; F778-I782 WeakPolarHBondContact O-CG1 3.08Å; F778-I782 PolarHBondContact O-N 2.83Å; I782-P784 WeakPolarHBondContact O-CD 3.41Å |
| 783 | R | 42.4 | Very low | 48.3 | Very low | 190 Ų | 190 | 116 Ų | 116 | 72% | 0.717 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 119.7 | 172.2 | -74.5 | -172.2 | -172.6 | -171.2 | 3.2 | 111.1 | E779 | E779-R783 IonicContact OE2-NH2 4Š|
| 784 | P | 44.6 | Very low | 46.5 | Very low | 112 Ų | 112 | 115.8 Ų | 115.8 | 73% | 0.727 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 151.1 | 165.3 | -3.2 | 18.8 | 0 | 0 | 0 | 109.5 | I782 | I782-P784 WeakPolarHBondContact O-CD 3.41Š|
| 785 | P | 38.3 | Very low | 44.7 | Very low | 107 Ų | 107 | 116 Ų | 116 | 70% | 0.695 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 148.9 | 174.4 | 27.8 | -31.2 | 0 | 0 | 0 | 110.3 | S787 | P785-S787 PolarHBondContact O-N 3.18Š|
| 786 | P | 38.3 | Very low | 42.8 | Very low | 127 Ų | 127 | 124.1 Ų | 124.1 | 83% | 0.825 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 122.5 | 174.6 | 28 | -30.5 | 0 | 0 | 0 | 108.8 | ||
| 787 | S | 33.7 | Very low | 41.1 | Very low | 113 Ų | 113 | 121.4 Ų | 121.4 | 79% | 0.79 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 134.4 | 175.4 | -64.5 | 0 | 0 | 0 | 0 | 110.2 | P785 S789 | P785-S787 PolarHBondContact O-N 3.18Å; S787-S789 PolarHBondContact O-N 3.48Å |
| 788 | P | 37.5 | Very low | 39.4 | Very low | 121 Ų | 121 | 126 Ų | 126 | 79% | 0.786 | 74% | 0.744 | S | S | * | * | trans | -87 | 106.1 | 178.6 | 32.5 | -27.9 | 0 | 0 | 0 | 109.4 | ||||
| 789 | S | 32.4 | Very low | 37.9 | Very low | 120 Ų | 120 | 126.6 Ų | 126.6 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | trans | 174.9 | 119.2 | 146.8 | -79.1 | 0 | 0 | 0 | 0 | 109.1 | S787 | S787-S789 PolarHBondContact O-N 3.48Š| ||
| 790 | G | 31 | Very low | 36.7 | Very low | 71 Ų | 71 | 130.3 Ų | 130.3 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | trans | -73.4 | 153.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 791 | T | 29.5 | Very low | 35.3 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | 167.8 | 117.5 | 104.3 | -48 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 792 | I | 31.9 | Very low | 34.5 | Very low | 154 Ų | 154 | 136.6 Ų | 136.6 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | 17.7 | 118.8 | 145.6 | -44.3 | 170.3 | 0 | 0 | 0 | 118.4 | ||||
| 793 | S | 27.2 | Very low | 33.9 | Very low | 100 Ų | 100 | 135.9 Ų | 135.9 | 70% | 0.699 | 81% | 0.807 | S | S | * | * | 169.9 | 131.6 | 100.4 | -137.5 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 794 | S | 32.1 | Very low | 33.7 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | trans | 40.5 | 124.5 | 137.7 | -42.7 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 795 | G | 29.3 | Very low | 33.5 | Very low | 70 Ų | 70 | 129.9 Ų | 129.9 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | trans | 141.8 | 104 | 141.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 796 | Y | 31.2 | Very low | 33.5 | Very low | 245 Ų | 245 | 132.3 Ų | 132.3 | 96% | 0.961 | 80% | 0.796 | S | S | * | * | trans | 31.2 | 128.9 | 143.8 | -77.9 | -91.8 | 0 | 0 | 0 | 122.8 | ||||
| 797 | G | 31.5 | Very low | 33.5 | Very low | 74 Ų | 74 | 135 Ų | 135 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | 110.8 | 105.6 | 128.4 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 798 | Q | 32.4 | Very low | 33.7 | Very low | 193 Ų | 193 | 135.8 Ų | 135.8 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | trans | 17 | 124.5 | 150.3 | -71.3 | 176.3 | -26.2 | 0 | 0 | 120.9 | ||||
| 799 | S | 28.7 | Very low | 33.9 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | 160.6 | 155.5 | 98.2 | 52 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 800 | Q | 39.8 | Very low | 34.1 | Very low | 201 Ų | 201 | 140.6 Ų | 140.6 | 94% | 0.939 | 78% | 0.78 | S | S | * | * | trans | -59.9 | 134.4 | -165.8 | -65.4 | 165.2 | -22.3 | 0 | 0 | 115.1 | ||||
| 801 | S | 29.8 | Very low | 34.1 | Very low | 116 Ų | 116 | 147.1 Ų | 147.1 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | -125.3 | 115.2 | 154.6 | 58.2 | 0 | 0 | 0 | 0 | 109.7 | S803 | S801-S803 PolarHBondContact O-N 3.39Š| ||
| 802 | R | 33.7 | Very low | 34.3 | Very low | 250 Ų | 250 | 146.3 Ų | 146.3 | 94% | 0.943 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -53 | 125.2 | 170.4 | -90 | 175.6 | 165.3 | 170 | -5.1 | 110 | ||
| 803 | S | 35.9 | Very low | 34.5 | Very low | 117 Ų | 117 | 146 Ų | 146 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 130 | 166 | 46 | 0 | 0 | 0 | 0 | 110.1 | S801 | S801-S803 PolarHBondContact O-N 3.39Š|
| 804 | V | 39.3 | Very low | 34.7 | Very low | 96 Ų | 96 | 149.5 Ų | 149.5 | 58% | 0.582 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 139.1 | 179 | 175.2 | 0 | 0 | 0 | 0 | 109.9 | E808 | V804-E808 HydrophobicContact CG1-CB 4.27Å; V804-E808 WeakPolarHBondContact CG1-OE2 3.41Å |
| 805 | P | 39.8 | Very low | 34.5 | Very low | 81 Ų | 81 | 149.5 Ų | 149.5 | 53% | 0.526 | 80% | 0.795 | S | S | . | * | P | Polyproline II helix | trans | -66.6 | 145 | 178 | -17.6 | 30.8 | 0 | 0 | 0 | 113.1 | Y807 E808 | P805-Y807 HydrophobicContact CB-CD1 3.84Å; P805-Y807 HydrophobicContact CB-CE1 3.91Å; P805-Y807 HydrophobicContact CG-CE1 4.25Å; P805-Y807 PolarHBondContact O-N 3.44Å; P805-E808 PolarHBondContact O-N 3.24Å |
| 806 | I | 37.6 | Very low | 34.5 | Very low | 157 Ų | 157 | 152.3 Ų | 152.3 | 81% | 0.805 | 80% | 0.798 | S | S | * | * | G | 310 helix | trans | -59.3 | -10.2 | -169.6 | -66.1 | 164.3 | 0 | 0 | 0 | 115.2 | E808 M809 | I806-E808 VanDerWaalsContact C-N 3.28Å; I806-E808 PolarHBondContact O-N 3.38Å; I806-M809 PolarHBondContact O-N 3.41Å |
| 807 | Y | 39.3 | Very low | 34.6 | Very low | 183 Ų | 183 | 154.7 Ų | 154.7 | 72% | 0.718 | 81% | 0.807 | S | S | * | * | G | 310 helix | trans | -75.6 | -13.2 | -180 | 77.7 | -93.4 | 0 | 0 | 0 | 114 | P805 M809 | P805-Y807 HydrophobicContact CB-CD1 3.84Å; P805-Y807 HydrophobicContact CB-CE1 3.91Å; P805-Y807 HydrophobicContact CG-CE1 4.25Å; P805-Y807 PolarHBondContact O-N 3.44Å; Y807-M809 VanDerWaalsContact C-N 3.33Å |
| 808 | E | 38.3 | Very low | 34.8 | Very low | 130 Ų | 130 | 158.7 Ų | 158.7 | 61% | 0.607 | 81% | 0.809 | S | S | * | * | G | 310 helix | trans | -86.2 | 4.2 | 174.3 | -76.4 | -174.9 | 170.9 | 0 | 0 | 113.9 | V804 P805 I806 | V804-E808 HydrophobicContact CG1-CB 4.27Å; V804-E808 WeakPolarHBondContact CG1-OE2 3.41Å; P805-E808 PolarHBondContact O-N 3.24Å; I806-E808 VanDerWaalsContact C-N 3.28Å; I806-E808 PolarHBondContact O-N 3.38Å |
| 809 | M | 40.6 | Very low | 34.9 | Very low | 163 Ų | 163 | 156.9 Ų | 156.9 | 80% | 0.803 | 80% | 0.804 | S | S | * | * | G | 310 helix | trans | -110.3 | 14.8 | -174.7 | -87.3 | -167.5 | 72.4 | 0 | 0 | 116.3 | I806 Y807 | I806-M809 PolarHBondContact O-N 3.41Å; Y807-M809 VanDerWaalsContact C-N 3.33Å |
| 810 | K | 36.7 | Very low | 35.2 | Very low | 179 Ų | 179 | 158.8 Ų | 158.8 | 78% | 0.778 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -140.9 | 90.2 | 172.1 | -74.1 | -167.1 | 176.9 | -176 | 0 | 112.2 | ||
| 811 | F | 31.4 | Very low | 35 | Very low | 208 Ų | 208 | 156.3 Ų | 156.3 | 91% | 0.912 | 79% | 0.793 | S | S | * | * | 170.6 | 100.3 | 128 | -87.2 | -67.3 | 0 | 0 | 0 | 107.7 | |||||
| 812 | P | 34.1 | Very low | 35.3 | Very low | 113 Ų | 113 | 158.8 Ų | 158.8 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -80.8 | 133.2 | 168.2 | 28.9 | -21.5 | 0 | 0 | 0 | 109.7 | ||||
| 813 | D | 35.8 | Very low | 35.4 | Very low | 149 Ų | 149 | 152.7 Ų | 152.7 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | 47.6 | 110.1 | 154 | -55 | -32.4 | 0 | 0 | 0 | 119 | ||||
| 814 | L | 32.2 | Very low | 35.4 | Very low | 172 Ų | 172 | 155.3 Ų | 155.3 | 90% | 0.901 | 78% | 0.779 | S | S | * | * | trans | -169.4 | 132.3 | 132.4 | -99 | 153.7 | 0 | 0 | 0 | 111.9 | ||||
| 815 | C | 27.3 | Very low | 35 | Very low | 120 Ų | 120 | 159.8 Ų | 159.8 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | 91.1 | 74.5 | 169.8 | -56 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 816 | V | 29.5 | Very low | 34.7 | Very low | 129 Ų | 129 | 166.4 Ų | 166.4 | 78% | 0.782 | 82% | 0.817 | S | S | * | * | trans | -73.5 | 109.6 | 138.1 | 172.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 817 | Y | 33.2 | Very low | 34.4 | Very low | 294 Ų | 294 | 167.3 Ų | 167.3 | 100% | 1.153 | 82% | 0.818 | S | S | * | * | 170.8 | 0 | 126.9 | -103.1 | -73.1 | 0 | 0 | 0 | 109.5 |
Retrieved 817 of 817 residues in 422 ms
(Link to these results)